#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 -1.54 3.88 1.69 0.00 -1.26 -4.92 105.19 103.04 3dsg n GLY 9 Ca 0.00 -1.56 -0.36 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.58 5.36 -0.31 -0.61 1.01 -1.26 -4.54 121.20 118.26 3dsg s ILE 10 Ca 0.00 0.22 -0.08 0.00 0.00 0.00 0.00 60.65 60.79 3dsg s ILE 10 Cb 0.00 -3.52 0.01 0.00 0.01 0.00 0.00 42.46 38.95 3dsg s ILE 10 CO 0.00 0.47 0.11 -0.22 0.00 0.00 0.00 174.94 175.30 3dsg s LEU 11 N -1.46 4.00 0.02 2.97 2.96 -0.82 -4.99 118.68 121.36 3dsg s LEU 11 Ca 0.23 -0.71 -0.19 0.00 -0.22 0.00 0.00 54.13 53.24 3dsg s LEU 11 Cb -0.13 -1.92 -0.06 0.00 0.50 0.00 0.00 46.19 44.58 3dsg s LEU 11 CO 0.12 -0.21 0.54 -0.55 -1.32 0.00 0.00 176.35 174.93 3dsg s SER 12 N 1.52 6.96 -0.23 3.68 0.15 -1.26 -1.02 113.70 123.49 3dsg s SER 12 Ca 0.03 1.14 -0.03 0.00 0.70 0.00 0.00 55.95 57.78 3dsg s SER 12 Cb -0.17 -2.34 0.08 0.00 -1.71 0.00 0.00 66.02 61.88 3dsg s SER 12 CO 0.04 0.19 0.08 -0.22 1.20 0.00 0.00 173.24 174.53 3dsg s LEU 13 N -0.60 1.11 -0.19 3.45 2.96 -0.88 -4.94 118.68 119.58 3dsg s LEU 13 Ca 0.29 -1.05 -0.02 0.00 -0.22 0.00 0.00 54.13 53.12 3dsg s LEU 13 Cb -0.18 -0.54 -0.01 0.00 0.50 0.00 0.00 46.19 45.97 3dsg s LEU 13 CO 0.17 -0.36 -0.09 0.00 -1.32 0.00 0.00 176.35 174.75 3dsg s ALA 14 N 1.91 2.70 -0.43 5.97 0.00 -1.26 0.09 121.76 130.75 3dsg s ALA 14 Ca 0.04 -1.10 -0.12 0.00 0.00 0.00 0.00 51.96 50.77 3dsg s ALA 14 Cb -0.17 -1.51 0.06 0.00 0.00 0.00 0.00 23.12 21.51 3dsg s ALA 14 CO -0.18 -0.24 0.30 -0.51 0.00 0.00 0.00 175.76 175.13 3dsg s LEU 15 N 1.16 5.24 0.27 0.00 1.43 0.38 -4.95 118.68 122.21 3dsg s LEU 15 Ca 0.02 -1.29 -0.01 0.00 -1.03 0.00 0.00 54.13 51.81 3dsg s LEU 15 Cb -0.14 -2.08 0.45 0.00 0.03 0.00 0.00 46.19 44.44 3dsg s LEU 15 CO -0.03 -0.54 1.87 0.50 0.23 0.00 0.00 176.35 178.38 3dsg h LYS 16 N 8.56 1.08 0.00 1.70 1.63 -1.91 -2.36 116.57 125.27 3dsg h LYS 16 Ca -0.26 -0.07 -0.21 0.00 -0.85 0.00 0.00 60.65 59.26 3dsg h LYS 16 Cb 1.10 -0.24 -0.05 0.00 -0.60 0.00 0.00 32.23 32.44 3dsg h LYS 16 CO 0.78 0.72 -0.07 -0.40 -3.45 0.00 0.00 179.45 177.03 3dsg n ASP 17 N -4.54 -1.35 0.26 4.20 5.75 -1.26 -4.49 116.55 115.11 3dsg n ASP 17 Ca 0.16 -2.65 0.12 0.00 -0.01 0.00 0.00 54.79 52.42 3dsg n ASP 17 Cb 0.24 2.46 0.70 0.00 -1.03 0.00 0.00 41.12 43.48 3dsg n ASP 17 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 3dsg h LYS 18 N 0.00 0.00 0.04 0.11 1.57 -1.95 -1.93 116.57 114.41 3dsg h LYS 18 Ca -0.25 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.29 3dsg h LYS 18 Cb 1.07 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.40 3dsg h LYS 18 CO 0.34 0.13 -0.95 0.00 -0.57 0.00 0.00 179.45 178.40 3dsg h ALA 19 N 1.87 0.07 -0.69 3.86 0.00 -1.98 -1.82 119.26 120.56 3dsg h ALA 19 Ca -0.00 -0.68 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 3dsg h ALA 19 Cb 0.36 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3dsg h ALA 19 CO 0.02 0.57 0.32 0.00 0.00 0.00 0.00 179.25 180.15 3dsg h ALA 20 N 0.33 0.89 0.27 0.00 0.00 -1.76 -2.49 119.26 116.51 3dsg h ALA 20 Ca -0.13 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3dsg h ALA 20 Cb 1.63 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 19.11 3dsg h ALA 20 CO 0.18 0.47 -0.48 1.25 0.00 0.00 0.00 179.25 180.68 3dsg h LEU 21 N 0.97 -1.38 -0.69 0.00 5.85 -1.50 -1.39 115.31 117.16 3dsg h LEU 21 Ca 0.24 0.13 0.10 0.00 0.84 0.00 0.00 57.88 59.19 3dsg h LEU 21 Cb 0.14 0.49 -0.07 0.00 0.37 0.00 0.00 40.66 41.59 3dsg h LEU 21 CO -0.03 -0.58 0.32 0.22 -0.34 0.00 0.00 178.44 178.04 3dsg h TYR 22 N -0.82 0.56 -0.09 1.25 3.20 -1.29 -1.01 116.97 118.78 3dsg h TYR 22 Ca -0.02 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.72 3dsg h TYR 22 Cb 0.77 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 3dsg h TYR 22 CO -0.34 0.18 -0.63 0.66 -1.64 0.00 0.00 178.16 176.38 3dsg h SER 23 N 0.54 0.37 -0.22 -2.11 4.64 -1.31 -3.32 113.55 112.14 3dsg h SER 23 Ca 0.35 -0.22 -0.08 0.00 -0.47 0.00 0.00 61.79 61.37 3dsg h SER 23 Cb 0.41 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3dsg h SER 23 CO -0.30 0.90 -0.18 0.00 -0.87 0.00 0.00 176.83 176.39 3dsg h ALA 24 N 1.10 0.31 -3.00 5.18 0.00 -0.87 -3.47 119.26 118.51 3dsg h ALA 24 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3dsg h ALA 24 Cb 1.16 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3dsg h ALA 24 CO 0.10 0.23 0.00 0.98 0.00 0.00 0.00 179.25 180.56 3dsg n TYR 25 N -4.45 -1.29 0.00 0.00 -0.00 -0.42 -0.94 117.16 110.06 3dsg n TYR 25 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.85 3dsg n TYR 25 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.73 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 -0.82 0.32 0.00 2.98 -0.04 -1.26 -4.86 135.00 131.33 3dsg n PRO 27 Ca 0.00 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.55 3dsg n PRO 27 Cb 0.00 -0.05 0.43 0.00 -0.04 0.00 0.00 33.50 33.84 3dsg n PRO 27 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 3dsg n PHE 28 N -0.23 0.00 -2.52 0.54 1.16 -1.26 -4.77 117.46 110.38 3dsg n PHE 28 Ca 0.00 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.15 3dsg n PHE 28 Cb 0.00 -0.44 -0.02 0.00 -1.61 0.00 0.00 39.48 37.40 3dsg n PHE 28 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 3dsg s VAL 29 N -2.88 4.41 0.30 1.97 1.01 -1.26 -4.99 120.40 118.96 3dsg s VAL 29 Ca 0.12 1.71 -0.29 0.00 0.00 0.00 0.00 61.98 63.52 3dsg s VAL 29 Cb 0.13 -4.10 -0.13 0.00 0.00 0.00 0.00 36.38 32.28 3dsg s VAL 29 CO 0.33 -0.05 1.38 0.29 0.00 0.00 0.00 175.10 177.05 3dsg n LYS 30 N 5.60 2.20 -0.92 2.72 5.02 -1.26 -0.53 118.16 130.99 3dsg n LYS 30 Ca 0.11 0.78 0.00 0.00 -2.02 0.00 0.00 58.31 57.18 3dsg n LYS 30 Cb 0.46 -2.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.05 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 1.45 0.00 0.00 4.39 7.64 -1.26 -4.64 113.62 121.20 3dsg n SER 31 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 3dsg n SER 31 Cb 0.35 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 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 -2.00 -0.72 3.74 0.23 0.00 0.31 -4.45 105.19 102.31 3dsg n GLY 32 Ca 0.00 -1.49 -0.09 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.77 0.44 -0.12 -0.02 0.00 -1.26 -1.78 107.32 102.82 3dsg s GLY 33 Ca 0.00 -0.77 -0.15 0.00 0.00 0.00 0.00 44.72 43.80 3dsg s GLY 33 CO 0.00 -0.41 0.40 -1.50 0.00 0.00 0.00 173.10 171.59 3dsg s ILE 34 N -3.16 0.01 -0.03 0.90 2.07 -0.39 -4.59 121.20 116.01 3dsg s ILE 34 Ca 0.18 -0.10 -0.21 0.00 -1.41 0.00 0.00 60.65 59.11 3dsg s ILE 34 Cb -0.04 -0.59 -0.05 0.00 0.13 0.00 0.00 42.46 41.91 3dsg s ILE 34 CO 0.11 -0.05 0.59 0.12 -1.91 0.00 0.00 174.94 173.80 3dsg s PHE 35 N -0.16 3.64 -0.20 3.50 2.19 -0.12 -1.59 117.98 125.24 3dsg s PHE 35 Ca -0.03 1.15 0.00 0.00 0.33 0.00 0.00 56.93 58.38 3dsg s PHE 35 Cb -0.03 -2.63 0.05 0.00 -1.31 0.00 0.00 43.02 39.09 3dsg s PHE 35 CO 0.02 0.28 -0.08 0.08 1.83 0.00 0.00 175.22 177.34 3dsg s VAL 36 N 0.11 1.47 0.35 3.12 1.01 0.11 -4.86 120.40 121.72 3dsg s VAL 36 Ca 0.31 -0.94 -0.28 0.00 0.00 0.00 0.00 61.98 61.06 3dsg s VAL 36 Cb -0.18 -1.61 -0.11 0.00 0.00 0.00 0.00 36.38 34.48 3dsg s VAL 36 CO 0.16 0.11 1.43 -2.84 0.00 0.00 0.00 175.10 173.96 3dsg s PRO 37 N 1.46 4.20 -0.30 2.72 0.02 -1.26 -1.82 135.00 140.02 3dsg s PRO 37 Ca -0.02 2.45 -0.24 0.00 0.02 0.00 0.00 61.00 63.21 3dsg s PRO 37 Cb -0.16 -3.01 0.20 0.00 0.02 0.00 0.00 34.50 31.54 3dsg s PRO 37 CO -0.08 -0.42 1.44 -0.08 -0.33 0.00 0.00 177.00 177.53 3dsg s THR 38 N -1.00 0.00 -1.81 0.99 -1.32 -1.07 -4.91 115.64 106.52 3dsg s THR 38 Ca 0.52 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 61.26 3dsg s THR 38 Cb -0.44 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 69.73 3dsg s THR 38 CO 0.58 0.00 1.43 -0.81 -2.21 0.00 0.00 174.62 173.61 3dsg n PRO 39 N 1.73 0.92 -0.68 7.08 -0.04 -1.26 -2.43 135.00 140.32 3dsg n PRO 39 Ca -0.11 -0.62 -0.31 0.00 -0.04 0.00 0.00 63.50 62.42 3dsg n PRO 39 Cb 0.57 -1.49 0.17 0.00 -0.04 0.00 0.00 33.50 32.71 3dsg n PRO 39 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3dsg n LYS 40 N -0.50 -0.76 -3.88 0.54 5.02 -1.26 -4.97 118.16 112.35 3dsg n LYS 40 Ca 0.11 -0.17 -0.35 0.00 -2.02 0.00 0.00 58.31 55.88 3dsg n LYS 40 Cb 0.38 -2.17 -0.14 0.00 -0.02 0.00 0.00 35.03 33.09 3dsg n LYS 40 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3dsg s ARG 41 N -4.26 3.20 0.00 1.97 0.52 -1.26 -4.91 118.95 114.21 3dsg s ARG 41 Ca 0.64 -0.75 0.00 0.00 -0.52 0.00 0.00 55.73 55.09 3dsg s ARG 41 Cb -0.22 -3.10 0.00 0.00 0.52 0.00 0.00 34.95 32.15 3dsg s ARG 41 CO 0.62 -0.30 0.00 0.66 0.02 0.00 0.00 175.30 176.30 3dsg n TYR 42 N 4.79 0.00 -4.18 -0.53 4.02 -1.26 -5.15 117.16 114.85 3dsg n TYR 42 Ca -0.17 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.37 3dsg n TYR 42 Cb 0.49 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.73 3dsg n TYR 42 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3dsg s LEU 44 N 0.00 3.88 0.00 7.72 1.02 -1.26 -5.01 118.68 125.03 3dsg s LEU 44 Ca 0.00 0.25 0.00 0.00 0.02 0.00 0.00 54.13 54.40 3dsg s LEU 44 Cb 0.00 -1.95 0.00 0.00 0.02 0.00 0.00 46.19 44.26 3dsg s LEU 44 CO 0.00 0.38 0.00 0.61 0.02 0.00 0.00 176.35 177.36 3dsg n GLY 45 N 1.98 0.43 3.65 -3.19 0.00 -0.46 -5.02 105.19 102.59 3dsg n GLY 45 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.19 0.65 -4.69 1.61 8.00 -1.26 -4.60 116.55 116.08 3dsg n ASP 46 Ca 0.00 0.59 -0.40 0.00 0.71 0.00 0.00 54.79 55.69 3dsg n ASP 46 Cb 0.09 -1.46 -0.05 0.00 -0.02 0.00 0.00 41.12 39.68 3dsg n ASP 46 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3dsg s GLU 47 N -3.88 4.31 -0.03 -1.24 2.02 -1.26 0.26 118.70 118.88 3dsg s GLU 47 Ca 0.72 0.70 0.05 0.00 0.02 0.00 0.00 54.97 56.46 3dsg s GLU 47 Cb -0.30 -3.52 -0.01 0.00 0.10 0.00 0.00 34.13 30.41 3dsg s GLU 47 CO 0.52 -0.10 -0.17 0.54 0.02 0.00 0.00 175.26 176.07 3dsg s VAL 48 N 1.41 1.39 -0.29 2.63 0.11 -0.55 -4.90 120.40 120.19 3dsg s VAL 48 Ca 0.32 -0.72 -0.16 0.00 -2.93 0.00 0.00 61.98 58.49 3dsg s VAL 48 Cb -0.16 -1.17 -0.03 0.00 -1.53 0.00 0.00 36.38 33.49 3dsg s VAL 48 CO 0.13 0.40 0.40 0.12 -3.33 0.00 0.00 175.10 172.82 3dsg s PHE 49 N -0.16 3.23 -0.18 1.54 5.36 -1.26 -0.61 117.98 125.90 3dsg s PHE 49 Ca 0.01 0.33 -0.05 0.00 -0.96 0.00 0.00 56.93 56.26 3dsg s PHE 49 Cb -0.09 -2.65 -0.03 0.00 -0.34 0.00 0.00 43.02 39.91 3dsg s PHE 49 CO 0.01 -0.31 -0.01 -1.17 -1.46 0.00 0.00 175.22 172.28 3dsg s LEU 50 N 2.13 3.31 -0.34 6.12 0.20 0.21 -1.95 118.68 128.37 3dsg s LEU 50 Ca 0.15 -0.14 -0.11 0.00 0.69 0.00 0.00 54.13 54.73 3dsg s LEU 50 Cb -0.16 -1.82 0.00 0.00 -0.43 0.00 0.00 46.19 43.79 3dsg s LEU 50 CO 0.11 0.13 0.19 -0.22 -0.29 0.00 0.00 176.35 176.27 3dsg s LEU 51 N 0.63 4.43 -0.28 -0.68 2.96 -0.19 0.06 118.68 125.60 3dsg s LEU 51 Ca -0.01 -0.68 -0.07 0.00 -0.22 0.00 0.00 54.13 53.16 3dsg s LEU 51 Cb -0.14 -2.04 0.00 0.00 0.50 0.00 0.00 46.19 44.51 3dsg s LEU 51 CO 0.02 -0.28 0.08 -0.22 -1.32 0.00 0.00 176.35 174.63 3dsg s LEU 52 N 1.62 3.74 -0.26 -0.68 0.20 0.47 -2.08 118.68 121.69 3dsg s LEU 52 Ca 0.04 -0.60 -0.07 0.00 0.69 0.00 0.00 54.13 54.19 3dsg s LEU 52 Cb -0.18 -1.89 -0.02 0.00 -0.43 0.00 0.00 46.19 43.68 3dsg s LEU 52 CO 0.07 -0.16 0.06 -0.89 -0.29 0.00 0.00 176.35 175.15 3dsg s THR 53 N 1.52 4.10 0.13 3.68 2.01 0.11 -1.49 115.64 125.71 3dsg s THR 53 Ca 0.03 -0.36 -0.29 0.00 0.31 0.00 0.00 61.69 61.38 3dsg s THR 53 Cb -0.17 -2.97 -0.06 0.00 0.01 0.00 0.00 72.50 69.31 3dsg s THR 53 CO 0.02 0.28 0.93 -0.76 -0.69 0.00 0.00 174.62 174.40 3dsg s LEU 54 N 1.57 4.53 0.04 4.42 1.02 -1.26 -0.47 118.68 128.53 3dsg s LEU 54 Ca 0.05 1.79 -0.38 0.00 0.02 0.00 0.00 54.13 55.61 3dsg s LEU 54 Cb -0.16 -3.55 -0.19 0.00 0.02 0.00 0.00 46.19 42.32 3dsg s LEU 54 CO 0.02 -0.01 1.10 -2.65 0.02 0.00 0.00 176.35 174.84 3dsg n PRO 55 N 2.50 0.34 -1.31 1.29 -0.02 -0.89 -1.44 135.00 135.47 3dsg n PRO 55 Ca 0.01 0.12 -0.11 0.00 -2.02 0.00 0.00 63.50 61.50 3dsg n PRO 55 Cb 0.49 -1.62 -0.05 0.00 -0.02 0.00 0.00 33.50 32.30 3dsg n PRO 55 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3dsg n ASP 56 N 1.80 -4.80 -4.96 2.55 -0.08 -1.26 -4.96 116.55 104.84 3dsg n ASP 56 Ca 0.19 0.27 -0.19 0.00 -1.51 0.00 0.00 54.79 53.55 3dsg n ASP 56 Cb 0.13 -3.25 -0.01 0.00 2.34 0.00 0.00 41.12 40.33 3dsg n ASP 56 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 3dsg s SER 57 N -2.64 5.68 -0.11 1.67 1.04 -0.52 -4.98 113.70 113.84 3dsg s SER 57 Ca 0.00 -0.36 0.14 0.00 0.48 0.00 0.00 55.95 56.22 3dsg s SER 57 Cb 0.00 -0.98 0.36 0.00 0.10 0.00 0.00 66.02 65.50 3dsg s SER 57 CO 0.00 -0.52 1.27 -1.54 0.98 0.00 0.00 173.24 173.43 3dsg n SER 58 N -1.64 3.08 -4.20 7.02 3.41 -1.26 -4.85 113.62 115.18 3dsg n SER 58 Ca 0.02 -2.72 -0.22 0.00 -0.26 0.00 0.00 58.87 55.69 3dsg n SER 58 Cb 0.59 -0.39 -0.13 0.00 -0.26 0.00 0.00 64.21 64.02 3dsg n SER 58 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3dsg s GLU 59 N -2.27 1.11 -0.22 4.33 2.12 -1.26 -5.08 118.70 117.43 3dsg s GLU 59 Ca 0.31 -0.88 -0.03 0.00 0.36 0.00 0.00 54.97 54.72 3dsg s GLU 59 Cb 0.24 -1.19 -0.00 0.00 0.26 0.00 0.00 34.13 33.44 3dsg s GLU 59 CO 0.08 0.29 -0.05 1.03 -0.54 0.00 0.00 175.26 176.07 3dsg s ARG 60 N -1.28 3.30 -0.52 4.30 0.52 -1.26 -4.52 118.95 119.49 3dsg s ARG 60 Ca 0.04 -0.67 -0.20 0.00 -0.52 0.00 0.00 55.73 54.37 3dsg s ARG 60 Cb -0.09 -2.99 0.05 0.00 0.52 0.00 0.00 34.95 32.44 3dsg s ARG 60 CO 0.02 -0.22 0.70 -0.51 0.02 0.00 0.00 175.30 175.30 3dsg s LEU 61 N 1.46 4.76 0.13 2.53 1.43 -0.56 -4.88 118.68 123.55 3dsg s LEU 61 Ca 0.05 -0.78 -0.29 0.00 -1.03 0.00 0.00 54.13 52.09 3dsg s LEU 61 Cb -0.14 -2.54 -0.07 0.00 0.03 0.00 0.00 46.19 43.47 3dsg s LEU 61 CO -0.04 -0.97 0.90 -2.84 0.23 0.00 0.00 176.35 173.64 3dsg s PRO 62 N 2.93 4.68 -0.05 1.29 0.02 -1.26 -0.39 135.00 142.22 3dsg s PRO 62 Ca 0.19 1.36 0.03 0.00 0.02 0.00 0.00 61.00 62.59 3dsg s PRO 62 Cb -0.18 -3.34 0.01 0.00 0.02 0.00 0.00 34.50 31.01 3dsg s PRO 62 CO 0.14 0.33 -0.13 0.08 -0.33 0.00 0.00 177.00 177.09 3dsg s VAL 63 N -0.38 1.11 -1.02 3.83 1.01 0.11 -4.96 120.40 120.10 3dsg s VAL 63 Ca 0.43 -0.51 -0.08 0.00 0.00 0.00 0.00 61.98 61.82 3dsg s VAL 63 Cb -0.23 -0.99 0.26 0.00 0.00 0.00 0.00 36.38 35.41 3dsg s VAL 63 CO 0.29 0.34 0.99 0.00 0.00 0.00 0.00 175.10 176.72 3dsg s ALA 64 N 0.38 4.54 0.50 5.51 0.00 -1.26 0.67 121.76 132.10 3dsg s ALA 64 Ca -0.09 -3.76 0.08 0.00 0.00 0.00 0.00 51.96 48.19 3dsg s ALA 64 Cb -0.13 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.62 3dsg s ALA 64 CO 0.02 -2.20 0.55 0.20 0.00 0.00 0.00 175.76 174.34 3dsg s GLY 65 N 1.14 2.03 -0.03 0.00 0.00 0.22 -3.80 107.32 106.88 3dsg s GLY 65 Ca 0.28 -1.78 0.05 0.00 0.00 0.00 0.00 44.72 43.27 3dsg s GLY 65 CO -0.09 -1.72 -0.17 1.25 0.00 0.00 0.00 173.10 172.37 3dsg s LYS 66 N -4.38 1.60 -0.01 2.90 2.20 -0.40 -1.48 119.74 120.16 3dsg s LYS 66 Ca 0.50 -0.60 -0.30 0.00 -0.36 0.00 0.00 55.97 55.21 3dsg s LYS 66 Cb -0.05 -1.45 -0.05 0.00 -1.51 0.00 0.00 37.83 34.77 3dsg s LYS 66 CO 0.31 0.29 1.47 0.08 -0.36 0.00 0.00 175.35 177.13 3dsg s VAL 67 N -0.13 3.65 0.00 4.02 1.01 0.14 -0.78 120.40 128.30 3dsg s VAL 67 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 61.98 62.97 3dsg s VAL 67 Cb -0.09 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.65 3dsg s VAL 67 CO 0.01 -0.02 0.01 1.33 0.00 0.00 0.00 175.10 176.42 3dsg n VAL 68 N 4.88 0.00 -3.64 2.92 0.24 -0.87 -1.35 118.33 120.50 3dsg n VAL 68 Ca 0.14 -0.50 -0.04 0.00 -2.04 0.00 0.00 64.34 61.91 3dsg n VAL 68 Cb 0.43 1.00 -0.07 0.00 -1.47 0.00 0.00 33.84 33.73 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 -0.97 -0.30 -0.02 6.34 -0.11 -1.24 -4.97 118.94 117.67 3dsg s TRP 69 Ca 0.00 0.67 0.07 0.00 1.22 0.00 0.00 56.10 58.06 3dsg s TRP 69 Cb 0.00 0.35 -0.02 0.00 -1.50 0.00 0.00 33.47 32.30 3dsg s TRP 69 CO 0.00 -0.14 -0.22 0.95 -4.62 0.00 0.00 176.95 172.91 3dsg s THR 70 N 0.51 1.74 -0.43 5.86 -4.23 -1.26 -1.69 115.64 116.15 3dsg s THR 70 Ca 0.00 -0.94 0.01 0.00 -1.18 0.00 0.00 61.69 59.58 3dsg s THR 70 Cb -0.04 -1.44 0.12 0.00 1.34 0.00 0.00 72.50 72.47 3dsg s THR 70 CO -0.12 0.49 0.18 -0.89 -0.54 0.00 0.00 174.62 173.75 3dsg s THR 71 N -0.52 2.86 -1.01 3.99 2.01 -0.15 -4.97 115.64 117.85 3dsg s THR 71 Ca 0.08 -2.47 0.00 0.00 0.31 0.00 0.00 61.69 59.62 3dsg s THR 71 Cb -0.08 -3.00 0.00 0.00 0.01 0.00 0.00 72.50 69.43 3dsg s THR 71 CO -0.01 -0.70 0.55 -0.81 -0.69 0.00 0.00 174.62 172.97 3dsg n PRO 72 N 4.11 0.00 0.00 4.92 -0.04 -1.26 -3.38 135.00 139.34 3dsg n PRO 72 Ca 0.02 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 3dsg n PRO 72 Cb 0.40 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 3dsg n PRO 72 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3dsg n ASN 78 N -1.05 0.00 -2.28 3.54 5.03 -1.26 -4.53 115.26 114.70 3dsg n ASN 78 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3dsg n ASN 78 Cb 0.08 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.84 3dsg n ASN 78 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3dsg n ARG 79 N 0.00 -5.01 -2.93 3.52 5.12 -1.26 -5.07 116.66 111.02 3dsg n ARG 79 Ca 0.00 3.60 -0.29 0.00 -1.93 0.00 0.00 57.85 59.23 3dsg n ARG 79 Cb 0.00 -4.40 -0.02 0.00 -1.16 0.00 0.00 32.46 26.88 3dsg n ARG 79 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3dsg s ALA 80 N -0.55 3.44 0.31 7.54 0.00 -1.26 -5.05 121.76 126.19 3dsg s ALA 80 Ca 0.00 -0.38 -0.29 0.00 0.00 0.00 0.00 51.96 51.30 3dsg s ALA 80 Cb 0.00 -2.56 -0.10 0.00 0.00 0.00 0.00 23.12 20.46 3dsg s ALA 80 CO 0.00 -0.03 1.20 0.00 0.00 0.00 0.00 175.76 176.93 3dsg s ALA 81 N -2.39 3.43 0.00 0.00 0.00 -1.26 -4.94 121.76 116.60 3dsg s ALA 81 Ca 0.48 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.51 3dsg s ALA 81 Cb -0.10 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.62 3dsg s ALA 81 CO 0.34 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.11 3dsg n GLY 82 N 0.96 -0.51 2.98 0.00 0.00 -1.02 -2.61 105.19 105.00 3dsg n GLY 82 Ca -0.00 -0.92 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.44 0.22 -0.37 -0.61 -4.36 -0.76 -0.98 121.20 110.91 3dsg s ILE 83 Ca 0.00 -0.78 -0.19 0.00 -0.26 0.00 0.00 60.65 59.42 3dsg s ILE 83 Cb 0.00 -0.32 0.00 0.00 1.25 0.00 0.00 42.46 43.39 3dsg s ILE 83 CO 0.00 -0.36 0.54 -0.83 0.24 0.00 0.00 174.94 174.53 3dsg s GLY 84 N -1.20 1.80 -0.30 6.27 0.00 -0.68 0.10 107.32 113.31 3dsg s GLY 84 Ca -0.11 -1.08 -0.10 0.00 0.00 0.00 0.00 44.72 43.43 3dsg s GLY 84 CO -0.00 1.33 0.16 0.14 0.00 0.00 0.00 173.10 174.72 3dsg s VAL 85 N 2.48 4.82 -0.01 1.40 1.01 -0.62 -2.06 120.40 127.42 3dsg s VAL 85 Ca 0.19 -0.20 -0.18 0.00 0.00 0.00 0.00 61.98 61.79 3dsg s VAL 85 Cb -0.15 -3.38 -0.06 0.00 0.00 0.00 0.00 36.38 32.79 3dsg s VAL 85 CO 0.14 0.15 0.52 -1.58 0.00 0.00 0.00 175.10 174.34 3dsg s GLN 86 N 1.67 4.20 0.42 2.72 0.74 0.04 -1.26 119.66 128.18 3dsg s GLN 86 Ca 0.06 0.60 -0.25 0.00 0.05 0.00 0.00 55.36 55.82 3dsg s GLN 86 Cb -0.16 -3.31 -0.08 0.00 1.10 0.00 0.00 33.01 30.56 3dsg s GLN 86 CO 0.08 0.47 1.22 -0.06 -0.55 0.00 0.00 175.29 176.45 3dsg s PHE 87 N -0.48 2.92 0.49 1.67 2.99 -0.73 -1.28 117.98 123.56 3dsg s PHE 87 Ca 0.28 1.49 -0.22 0.00 0.00 0.00 0.00 56.93 58.49 3dsg s PHE 87 Cb -0.18 -3.51 -0.07 0.00 0.00 0.00 0.00 43.02 39.27 3dsg s PHE 87 CO 0.15 -1.68 1.15 -1.25 -0.00 0.00 0.00 175.22 173.60 3dsg s PRO 88 N -2.35 3.61 0.57 0.24 0.04 -1.25 -4.85 135.00 131.00 3dsg s PRO 88 Ca 0.58 1.72 -0.16 0.00 0.04 0.00 0.00 61.00 63.19 3dsg s PRO 88 Cb -0.33 -2.27 -0.05 0.00 0.04 0.00 0.00 34.50 31.89 3dsg s PRO 88 CO 0.42 -0.66 1.03 0.16 0.04 0.00 0.00 177.00 177.99 3dsg s ASP 89 N -1.50 6.10 0.00 6.66 3.84 -1.26 -3.98 116.67 126.53 3dsg s ASP 89 Ca 0.67 1.71 0.00 0.00 -0.00 0.00 0.00 52.55 54.93 3dsg s ASP 89 Cb -0.27 -2.52 0.00 0.00 -1.38 0.00 0.00 42.92 38.75 3dsg s ASP 89 CO 0.32 -0.95 0.00 0.61 -0.00 0.00 0.00 175.17 175.15 3dsg n GLY 90 N -1.27 -1.40 0.32 2.12 0.00 -1.26 -4.71 105.19 98.99 3dsg n GLY 90 Ca 0.08 -2.18 -0.14 0.00 0.00 0.00 0.00 46.02 43.78 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 3.74 -0.54 -0.35 1.61 0.11 -2.00 -1.73 132.00 132.85 3dsg h PRO 91 Ca 0.00 0.04 0.10 0.00 0.11 0.00 0.00 66.00 66.25 3dsg h PRO 91 Cb 0.00 0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 3dsg h PRO 91 CO 0.00 -0.36 0.34 0.93 -0.21 0.00 0.00 178.00 178.71 3dsg h GLU 92 N -0.56 0.00 0.03 1.05 4.39 -1.91 -0.83 114.58 116.76 3dsg h GLU 92 Ca 0.01 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.47 3dsg h GLU 92 Cb 0.55 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.17 3dsg h GLU 92 CO -0.12 0.00 -1.33 0.78 -1.16 0.00 0.00 179.01 177.18 3dsg h GLY 93 N 0.00 0.07 1.01 -3.84 0.00 -1.50 -3.01 103.07 95.80 3dsg h GLY 93 Ca 0.16 -0.17 0.12 0.00 0.00 0.00 0.00 47.33 47.45 3dsg h GLY 93 CO -0.00 0.15 0.38 0.83 0.00 0.00 0.00 176.54 177.90 3dsg h GLU 94 N -0.79 0.23 -0.25 4.80 4.39 -1.18 -1.65 114.58 120.13 3dsg h GLU 94 Ca -0.34 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.28 3dsg h GLU 94 Cb 1.44 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 30.03 3dsg h GLU 94 CO -0.14 0.15 -0.07 0.00 -1.16 0.00 0.00 179.01 177.80 3dsg h ALA 95 N 1.72 0.35 0.10 3.43 0.00 -1.01 0.15 119.26 123.99 3dsg h ALA 95 Ca 0.26 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3dsg h ALA 95 Cb 0.72 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3dsg h ALA 95 CO -0.05 0.16 -0.05 0.28 0.00 0.00 0.00 179.25 179.59 3dsg h VAL 96 N 0.23 0.92 -0.69 0.00 2.07 -1.47 -0.79 116.25 116.53 3dsg h VAL 96 Ca 0.06 -0.03 0.08 0.00 0.82 0.00 0.00 66.70 67.63 3dsg h VAL 96 Cb 0.54 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 3dsg h VAL 96 CO 0.03 0.01 0.36 -0.09 0.02 0.00 0.00 177.57 177.89 3dsg h ARG 97 N -0.14 0.61 0.13 1.57 2.43 -1.06 -2.12 114.38 115.80 3dsg h ARG 97 Ca -0.01 -0.04 -0.30 0.00 -0.81 0.00 0.00 59.98 58.82 3dsg h ARG 97 Cb 0.11 -0.14 0.03 0.00 -0.42 0.00 0.00 29.97 29.55 3dsg h ARG 97 CO 0.02 0.41 -1.25 -0.91 -1.51 0.00 0.00 179.97 176.73 3dsg h ASN 98 N 0.63 0.79 -0.92 -3.80 2.35 -0.21 -0.35 115.58 114.08 3dsg h ASN 98 Ca 0.33 -0.75 0.08 0.00 -0.55 0.00 0.00 56.30 55.41 3dsg h ASN 98 Cb 0.29 -0.25 -0.07 0.00 0.05 0.00 0.00 38.32 38.34 3dsg h ASN 98 CO -0.23 1.56 0.57 0.11 -1.65 0.00 0.00 177.43 177.79 3dsg h LYS 99 N 0.24 0.97 -0.29 0.81 1.57 -0.80 -0.11 116.57 118.95 3dsg h LYS 99 Ca -0.18 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 3dsg h LYS 99 Cb 1.93 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 34.01 3dsg h LYS 99 CO 0.23 0.64 0.10 0.82 -0.57 0.00 0.00 179.45 180.67 3dsg h ILE 100 N 0.99 1.20 -0.40 1.86 2.04 -1.10 -2.06 117.51 120.04 3dsg h ILE 100 Ca 0.42 -0.63 -0.10 0.00 1.00 0.00 0.00 64.86 65.55 3dsg h ILE 100 Cb 0.28 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 3dsg h ILE 100 CO -0.21 0.21 -0.16 -0.33 0.00 0.00 0.00 178.15 177.66 3dsg h GLU 101 N 0.31 0.81 -0.67 2.37 5.08 0.68 -0.75 114.58 122.41 3dsg h GLU 101 Ca 0.09 -0.34 0.03 0.00 -1.00 0.00 0.00 59.36 58.14 3dsg h GLU 101 Cb 0.23 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 3dsg h GLU 101 CO -0.00 0.97 0.42 1.79 -1.00 0.00 0.00 179.01 181.18 3dsg h THR 102 N 0.62 1.09 -0.54 1.13 1.35 -1.17 -0.58 112.91 114.81 3dsg h THR 102 Ca 0.09 -0.28 -0.01 0.00 -0.55 0.00 0.00 66.41 65.66 3dsg h THR 102 Cb 0.71 0.20 -0.03 0.00 -1.73 0.00 0.00 68.15 67.30 3dsg h THR 102 CO 0.05 0.15 0.28 -0.07 -0.25 0.00 0.00 175.52 175.68 3dsg h LEU 103 N 0.82 0.66 -1.52 3.87 4.07 -0.54 -3.05 115.31 119.63 3dsg h LEU 103 Ca 0.27 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.18 3dsg h LEU 103 Cb 0.01 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.58 3dsg h LEU 103 CO -0.10 0.55 -0.07 0.18 -1.08 0.00 0.00 178.44 177.92 3dsg n LEU 104 N -4.39 2.42 -4.61 1.67 4.77 -0.39 -4.94 117.00 111.54 3dsg n LEU 104 Ca 0.05 -0.81 -0.46 0.00 -0.03 0.00 0.00 56.01 54.75 3dsg n LEU 104 Cb 0.11 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 3dsg n LEU 104 CO 0.37 0.41 1.68 0.00 -1.33 0.00 0.00 177.39 178.52 3dsg n ALA 105 N 0.81 1.33 0.00 -1.18 0.00 -0.34 -5.08 120.51 116.05 3dsg n ALA 105 Ca 0.15 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3dsg n ALA 105 Cb 0.51 -2.67 0.00 0.00 0.00 0.00 0.00 19.45 17.29 3dsg n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91