#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r6u n GLY 0 N 0.00 0.12 0.44 1.08 0.00 -1.26 -4.89 105.19 100.68 2r6u n GLY 0 Ca 0.00 -0.16 0.04 0.00 0.00 0.00 0.00 46.02 45.90 2r6u n GLY 0 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2r6u n MET 1 N -2.64 2.50 -1.64 1.61 2.81 -1.26 -5.03 117.12 113.47 2r6u n MET 1 Ca -0.20 -1.76 -0.49 0.00 -1.81 0.00 0.00 57.70 53.44 2r6u n MET 1 Cb 0.64 -1.19 -0.05 0.00 -0.71 0.00 0.00 33.22 31.91 2r6u n MET 1 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2r6u n THR 2 N 0.26 0.03 0.00 2.03 -2.24 -1.26 -1.64 114.28 111.46 2r6u n THR 2 Ca 0.08 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 2r6u n THR 2 Cb 0.35 -1.24 0.00 0.00 -2.10 0.00 0.00 70.33 67.34 2r6u n THR 2 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2r6u n GLY 3 N 3.09 3.35 3.77 3.38 0.00 0.14 -4.98 105.19 113.93 2r6u n GLY 3 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 2r6u n GLY 3 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2r6u s ARG 4 N -0.70 4.07 -0.44 1.61 0.52 -0.65 -4.65 118.95 118.70 2r6u s ARG 4 Ca 0.00 2.05 -0.25 0.00 -0.52 0.00 0.00 55.73 57.00 2r6u s ARG 4 Cb 0.00 -2.79 0.02 0.00 0.52 0.00 0.00 34.95 32.71 2r6u s ARG 4 CO 0.00 -0.37 0.92 0.42 0.02 0.00 0.00 175.30 176.29 2r6u s ILE 5 N -1.29 4.49 -0.52 1.52 -1.09 -1.26 -1.20 121.20 121.86 2r6u s ILE 5 Ca 0.55 0.83 0.07 0.00 -2.23 0.00 0.00 60.65 59.87 2r6u s ILE 5 Cb -0.36 -4.41 -0.04 0.00 -1.58 0.00 0.00 42.46 36.07 2r6u s ILE 5 CO 0.46 -0.78 0.42 1.33 -1.23 0.00 0.00 174.94 175.14 2r6u n VAL 6 N 6.34 0.00 -3.49 2.92 0.24 -0.43 -4.97 118.33 118.94 2r6u n VAL 6 Ca 0.06 -0.37 -0.12 0.00 -2.04 0.00 0.00 64.34 61.87 2r6u n VAL 6 Cb 0.48 1.04 -0.03 0.00 -1.47 0.00 0.00 33.84 33.87 2r6u n VAL 6 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2r6u s HIS 7 N -1.42 -0.49 0.08 6.34 5.65 -1.24 -4.54 115.29 119.67 2r6u s HIS 7 Ca 0.04 0.52 0.01 0.00 0.25 0.00 0.00 55.06 55.89 2r6u s HIS 7 Cb 0.06 0.51 -0.04 0.00 -1.18 0.00 0.00 32.58 31.92 2r6u s HIS 7 CO 0.24 -0.65 -0.06 -0.59 -0.65 0.00 0.00 174.74 173.04 2r6u s PHE 8 N -2.65 0.76 -0.02 3.88 -0.12 -1.19 -0.98 117.98 117.66 2r6u s PHE 8 Ca -0.01 -0.90 0.02 0.00 -0.05 0.00 0.00 56.93 55.99 2r6u s PHE 8 Cb -0.01 -0.47 0.01 0.00 -0.63 0.00 0.00 43.02 41.92 2r6u s PHE 8 CO -0.05 -0.20 -0.07 -1.21 -0.05 0.00 0.00 175.22 173.64 2r6u s GLU 9 N -3.57 0.82 -0.19 1.99 2.02 0.24 -1.06 118.70 118.95 2r6u s GLU 9 Ca 0.08 -0.24 -0.01 0.00 0.02 0.00 0.00 54.97 54.82 2r6u s GLU 9 Cb 0.04 -0.79 0.00 0.00 0.10 0.00 0.00 34.13 33.49 2r6u s GLU 9 CO -0.05 0.08 -0.13 0.42 0.02 0.00 0.00 175.26 175.59 2r6u s ILE 10 N 0.26 2.71 0.46 -1.63 1.01 -0.40 -1.45 121.20 122.17 2r6u s ILE 10 Ca -0.04 -0.73 -0.18 0.00 0.00 0.00 0.00 60.65 59.70 2r6u s ILE 10 Cb -0.08 -2.18 -0.09 0.00 0.01 0.00 0.00 42.46 40.11 2r6u s ILE 10 CO 0.00 0.49 0.95 -2.16 0.00 0.00 0.00 174.94 174.22 2r6u s PRO 11 N 1.23 4.07 0.13 2.79 0.04 -1.26 -2.47 135.00 139.53 2r6u s PRO 11 Ca 0.03 1.00 0.04 0.00 0.04 0.00 0.00 61.00 62.10 2r6u s PRO 11 Cb -0.14 -2.18 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 2r6u s PRO 11 CO -0.06 -0.14 -0.09 -0.59 0.04 0.00 0.00 177.00 176.16 2r6u s PHE 12 N -2.39 1.14 -0.18 0.56 -0.12 0.15 -4.85 117.98 112.29 2r6u s PHE 12 Ca 0.60 -0.79 0.04 0.00 -0.05 0.00 0.00 56.93 56.73 2r6u s PHE 12 Cb -0.10 -0.60 -0.22 0.00 -0.63 0.00 0.00 43.02 41.47 2r6u s PHE 12 CO 0.23 0.01 0.11 -0.25 -0.05 0.00 0.00 175.22 175.27 2r6u n ASP 13 N -0.06 1.52 -3.90 1.98 8.00 -1.26 -0.18 116.55 122.64 2r6u n ASP 13 Ca -0.11 0.06 -0.30 0.00 0.71 0.00 0.00 54.79 55.14 2r6u n ASP 13 Cb 0.60 -0.24 -0.15 0.00 -0.02 0.00 0.00 41.12 41.31 2r6u n ASP 13 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2r6u s ASP 14 N -6.42 4.08 0.15 -2.24 -1.08 -1.26 -4.96 116.67 104.93 2r6u s ASP 14 Ca -0.23 -1.50 -0.17 0.00 -0.52 0.00 0.00 52.55 50.14 2r6u s ASP 14 Cb 0.08 -1.19 0.05 0.00 -1.46 0.00 0.00 42.92 40.39 2r6u s ASP 14 CO 0.72 -0.31 1.74 1.23 0.52 0.00 0.00 175.17 179.06 2r6u h GLY 15 N 7.92 0.39 1.14 2.66 0.00 -1.98 -0.52 103.07 112.68 2r6u h GLY 15 Ca -0.14 -0.04 -0.07 0.00 0.00 0.00 0.00 47.33 47.09 2r6u h GLY 15 CO 0.45 -0.00 0.15 -0.55 0.00 0.00 0.00 176.54 176.59 2r6u h ASP 16 N 0.21 1.01 -0.29 0.19 3.32 -1.99 -0.45 116.42 118.42 2r6u h ASP 16 Ca 0.15 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 2r6u h ASP 16 Cb 0.16 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2r6u h ASP 16 CO -0.19 0.98 0.10 -0.09 -1.72 0.00 0.00 179.24 178.32 2r6u h ARG 17 N 1.01 0.44 -0.32 3.56 2.43 -1.90 -1.17 114.38 118.43 2r6u h ARG 17 Ca 0.21 -0.09 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 2r6u h ARG 17 Cb 0.37 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 2r6u h ARG 17 CO 0.00 0.48 0.09 0.00 -1.51 0.00 0.00 179.97 179.03 2r6u h ALA 18 N 0.94 0.42 -0.43 2.80 0.00 -0.84 -0.64 119.26 121.51 2r6u h ALA 18 Ca 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2r6u h ALA 18 Cb 0.21 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2r6u h ALA 18 CO -0.01 0.06 0.22 0.00 0.00 0.00 0.00 179.25 179.53 2r6u h ARG 19 N 0.35 0.61 -0.75 0.00 3.08 -1.05 -2.14 114.38 114.50 2r6u h ARG 19 Ca 0.10 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 2r6u h ARG 19 Cb 0.26 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 2r6u h ARG 19 CO -0.00 0.51 0.35 0.00 -1.07 0.00 0.00 179.97 179.75 2r6u h ALA 20 N 1.07 0.97 -0.07 0.04 0.00 -1.07 -0.73 119.26 119.47 2r6u h ALA 20 Ca 0.15 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2r6u h ALA 20 Cb 0.09 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 2r6u h ALA 20 CO -0.02 0.54 -0.15 0.35 0.00 0.00 0.00 179.25 179.98 2r6u h PHE 21 N 1.06 -0.37 -0.07 0.00 3.57 -0.82 0.16 116.94 120.46 2r6u h PHE 21 Ca 0.26 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.61 2r6u h PHE 21 Cb 0.14 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 2r6u h PHE 21 CO 0.01 -0.21 -0.67 1.88 -2.23 0.00 0.00 178.31 177.09 2r6u h TYR 22 N -0.21 0.39 -0.32 0.41 0.05 -1.23 0.36 116.97 116.42 2r6u h TYR 22 Ca 0.07 -0.16 -0.02 0.00 0.05 0.00 0.00 58.73 58.67 2r6u h TYR 22 Cb 0.31 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 2r6u h TYR 22 CO -0.23 0.88 0.14 0.00 -1.05 0.00 0.00 178.16 177.89 2r6u h ARG 23 N 0.21 0.47 -0.21 4.88 3.08 -0.94 -1.88 114.38 119.99 2r6u h ARG 23 Ca -0.02 -0.08 -0.15 0.00 0.07 0.00 0.00 59.98 59.81 2r6u h ARG 23 Cb 1.21 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.18 2r6u h ARG 23 CO 0.11 0.46 -0.44 -0.44 -1.07 0.00 0.00 179.97 178.59 2r6u h ASP 24 N 0.38 0.76 -0.17 7.04 3.32 -0.53 0.63 116.42 127.84 2r6u h ASP 24 Ca 0.11 -0.55 -0.15 0.00 0.02 0.00 0.00 57.03 56.46 2r6u h ASP 24 Cb 0.16 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.49 2r6u h ASP 24 CO -0.01 1.17 -0.48 0.00 -1.72 0.00 0.00 179.24 178.19 2r6u h ALA 25 N 0.61 0.28 0.00 3.45 0.00 -0.28 -3.39 119.26 119.93 2r6u h ALA 25 Ca 0.01 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2r6u h ALA 25 Cb 1.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2r6u h ALA 25 CO 0.10 0.45 -0.05 1.19 0.00 0.00 0.00 179.25 180.93 2r6u n PHE 26 N -4.19 0.00 -1.04 0.00 3.72 -0.72 -5.02 117.46 110.20 2r6u n PHE 26 Ca -0.07 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.32 2r6u n PHE 26 Cb 0.58 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.12 2r6u n PHE 26 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2r6u n GLY 27 N 0.81 0.51 3.72 1.37 0.00 0.21 -5.01 105.19 106.80 2r6u n GLY 27 Ca 0.00 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.78 2r6u n GLY 27 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2r6u n TRP 28 N -2.94 2.23 -3.12 1.61 8.01 -1.21 -4.97 117.44 117.04 2r6u n TRP 28 Ca -0.01 0.46 -0.40 0.00 -1.31 0.00 0.00 57.50 56.23 2r6u n TRP 28 Cb 0.05 -2.38 -0.06 0.00 -2.01 0.00 0.00 31.31 26.91 2r6u n TRP 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2r6u s ALA 29 N -1.24 3.60 -0.07 6.99 0.00 -0.96 -4.43 121.76 125.65 2r6u s ALA 29 Ca 0.65 -0.43 0.02 0.00 0.00 0.00 0.00 51.96 52.20 2r6u s ALA 29 Cb -0.46 -3.01 0.02 0.00 0.00 0.00 0.00 23.12 19.66 2r6u s ALA 29 CO 0.55 -0.77 -0.11 0.42 0.00 0.00 0.00 175.76 175.85 2r6u s ILE 30 N 2.41 1.07 -0.11 0.00 1.01 -1.26 -0.41 121.20 123.90 2r6u s ILE 30 Ca 0.26 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.50 2r6u s ILE 30 Cb -0.16 -1.00 0.02 0.00 0.01 0.00 0.00 42.46 41.34 2r6u s ILE 30 CO 0.09 0.35 -0.14 0.00 0.00 0.00 0.00 174.94 175.24 2r6u s ALA 31 N 0.83 1.64 0.14 9.38 0.00 -0.35 -4.97 121.76 128.42 2r6u s ALA 31 Ca -0.12 -0.72 -0.31 0.00 0.00 0.00 0.00 51.96 50.82 2r6u s ALA 31 Cb -0.15 -0.87 -0.08 0.00 0.00 0.00 0.00 23.12 22.02 2r6u s ALA 31 CO 0.02 -0.17 1.32 -2.00 0.00 0.00 0.00 175.76 174.92 2r6u s GLU 32 N 1.17 4.37 -0.56 0.00 2.12 -1.26 -0.94 118.70 123.60 2r6u s GLU 32 Ca -0.03 2.00 0.03 0.00 0.36 0.00 0.00 54.97 57.33 2r6u s GLU 32 Cb -0.14 -3.25 0.14 0.00 0.26 0.00 0.00 34.13 31.14 2r6u s GLU 32 CO -0.04 -0.32 0.32 0.42 -0.54 0.00 0.00 175.26 175.10 2r6u s ILE 33 N 0.71 2.80 0.18 -3.70 -1.09 -0.18 -4.94 121.20 114.97 2r6u s ILE 33 Ca 0.60 -3.40 -0.14 0.00 -2.23 0.00 0.00 60.65 55.48 2r6u s ILE 33 Cb -0.35 -2.91 0.07 0.00 -1.58 0.00 0.00 42.46 37.69 2r6u s ILE 33 CO 0.33 -0.84 1.75 -0.65 -1.23 0.00 0.00 174.94 174.30 2r6u h PRO 34 N 6.42 0.33 0.00 2.79 0.11 -1.94 -1.03 132.00 138.69 2r6u h PRO 34 Ca -0.04 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2r6u h PRO 34 Cb 0.88 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.92 2r6u h PRO 34 CO 0.70 0.22 0.00 -0.40 -0.21 0.00 0.00 178.00 178.31 2r6u n ASP 35 N -5.00 0.00 -0.55 -2.05 5.75 -1.26 -1.85 116.55 111.59 2r6u n ASP 35 Ca 0.04 0.40 0.07 0.00 -0.01 0.00 0.00 54.79 55.29 2r6u n ASP 35 Cb 0.17 -0.45 0.07 0.00 -1.03 0.00 0.00 41.12 39.88 2r6u n ASP 35 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 2r6u n MET 36 N -1.45 1.02 -3.77 0.11 2.81 -0.46 -4.95 117.12 110.42 2r6u n MET 36 Ca 0.04 -1.37 -0.25 0.00 -1.81 0.00 0.00 57.70 54.31 2r6u n MET 36 Cb 0.15 -1.26 0.04 0.00 -0.71 0.00 0.00 33.22 31.44 2r6u n MET 36 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2r6u n ASP 37 N 0.74 -3.44 -3.63 7.83 8.00 -0.76 -4.97 116.55 120.31 2r6u n ASP 37 Ca 0.08 -0.76 -0.06 0.00 0.71 0.00 0.00 54.79 54.76 2r6u n ASP 37 Cb 0.34 -4.15 -0.01 0.00 -0.02 0.00 0.00 41.12 37.29 2r6u n ASP 37 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2r6u s TYR 38 N -3.45 -0.10 -0.17 1.24 -0.85 -1.22 -4.79 117.35 108.00 2r6u s TYR 38 Ca 0.37 -0.36 0.01 0.00 -0.52 0.00 0.00 57.07 56.56 2r6u s TYR 38 Cb -0.18 0.72 0.01 0.00 0.38 0.00 0.00 41.96 42.89 2r6u s TYR 38 CO 0.81 -1.20 -0.18 -1.12 -1.52 0.00 0.00 175.55 172.34 2r6u s SER 39 N -2.98 3.37 0.18 -0.18 0.01 -0.37 -1.02 113.70 112.71 2r6u s SER 39 Ca 0.13 -0.57 -0.30 0.00 1.31 0.00 0.00 55.95 56.52 2r6u s SER 39 Cb -0.05 -1.52 -0.08 0.00 0.21 0.00 0.00 66.02 64.59 2r6u s SER 39 CO 0.07 0.04 1.21 -0.32 0.41 0.00 0.00 173.24 174.64 2r6u s MET 40 N 1.07 4.48 -0.15 12.44 1.75 -0.11 -0.50 119.30 138.28 2r6u s MET 40 Ca -0.01 1.88 0.02 0.00 -1.25 0.00 0.00 55.69 56.33 2r6u s MET 40 Cb -0.14 -3.24 0.01 0.00 2.84 0.00 0.00 34.83 34.29 2r6u s MET 40 CO -0.06 -0.11 -0.20 0.08 -0.65 0.00 0.00 175.02 174.08 2r6u s VAL 41 N 0.04 2.23 -0.26 10.11 1.01 -0.03 -1.21 120.40 132.29 2r6u s VAL 41 Ca 0.54 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 2r6u s VAL 41 Cb -0.33 -1.91 0.02 0.00 0.00 0.00 0.00 36.38 34.16 2r6u s VAL 41 CO 0.36 0.54 -0.02 -0.89 0.00 0.00 0.00 175.10 175.09 2r6u s THR 42 N 0.90 3.23 -0.49 3.92 2.01 0.45 -1.33 115.64 124.35 2r6u s THR 42 Ca -0.05 -0.87 0.20 0.00 0.31 0.00 0.00 61.69 61.28 2r6u s THR 42 Cb -0.15 -2.63 -0.27 0.00 0.01 0.00 0.00 72.50 69.46 2r6u s THR 42 CO -0.03 0.19 0.65 0.35 -0.69 0.00 0.00 174.62 175.09 2r6u n THR 43 N 4.74 0.00 -3.94 -0.82 -2.24 -1.26 -2.27 114.28 108.49 2r6u n THR 43 Ca -0.16 -0.25 -0.09 0.00 -2.27 0.00 0.00 64.05 61.28 2r6u n THR 43 Cb 0.48 0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 69.20 2r6u n THR 43 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2r6u s GLY 44 N -3.63 0.50 0.56 3.38 0.00 -1.26 -4.98 107.32 101.88 2r6u s GLY 44 Ca 0.00 -0.82 -0.21 0.00 0.00 0.00 0.00 44.72 43.70 2r6u s GLY 44 CO 0.84 -0.49 1.30 -4.14 0.00 0.00 0.00 173.10 170.62 2r6u s PRO 45 N -3.46 3.11 0.19 2.90 0.02 -1.26 -4.94 135.00 131.55 2r6u s PRO 45 Ca 0.19 2.09 0.08 0.00 0.02 0.00 0.00 61.00 63.38 2r6u s PRO 45 Cb -0.03 -2.17 -0.04 0.00 0.02 0.00 0.00 34.50 32.28 2r6u s PRO 45 CO 0.11 -1.17 -0.16 0.14 -0.33 0.00 0.00 177.00 175.59 2r6u s VAL 46 N -1.39 1.73 0.04 3.83 -7.23 -1.26 -2.70 120.40 113.43 2r6u s VAL 46 Ca 0.73 -2.08 -0.00 0.00 -1.81 0.00 0.00 61.98 58.82 2r6u s VAL 46 Cb -0.37 -1.94 0.01 0.00 0.56 0.00 0.00 36.38 34.64 2r6u s VAL 46 CO 0.43 -0.49 0.06 0.61 -0.31 0.00 0.00 175.10 175.39 2r6u n GLY 47 N -0.10 -0.15 0.25 2.32 0.00 0.53 -4.71 105.19 103.33 2r6u n GLY 47 Ca -0.10 -1.82 0.09 0.00 0.00 0.00 0.00 46.02 44.19 2r6u n GLY 47 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2r6u h GLU 48 N 0.00 0.00 -0.01 1.61 4.81 -2.00 -1.97 114.58 117.03 2r6u h GLU 48 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2r6u h GLU 48 Cb 0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 2r6u h GLU 48 CO 0.02 0.15 -0.02 -1.13 -0.73 0.00 0.00 179.01 177.30 2r6u n SER 49 N -3.97 0.73 0.00 1.04 3.41 -1.26 -4.92 113.62 108.65 2r6u n SER 49 Ca -0.02 -1.16 0.00 0.00 -0.26 0.00 0.00 58.87 57.43 2r6u n SER 49 Cb 0.23 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 2r6u n SER 49 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2r6u n GLY 50 N 1.12 0.76 3.94 5.00 0.00 -0.74 -5.05 105.19 110.21 2r6u n GLY 50 Ca 0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 2r6u n GLY 50 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2r6u s MET 51 N -0.27 3.47 0.29 1.61 -1.94 -1.26 -4.77 119.30 116.42 2r6u s MET 51 Ca 0.00 -0.51 -0.29 0.00 -1.71 0.00 0.00 55.69 53.17 2r6u s MET 51 Cb 0.00 -2.90 -0.13 0.00 2.01 0.00 0.00 34.83 33.80 2r6u s MET 51 CO 0.00 0.46 1.22 -2.30 -0.01 0.00 0.00 175.02 174.38 2r6u n PRO 52 N -0.72 1.78 -0.41 2.03 -0.02 -1.26 -0.35 135.00 136.06 2r6u n PRO 52 Ca -0.06 0.63 0.11 0.00 -2.02 0.00 0.00 63.50 62.15 2r6u n PRO 52 Cb 0.54 -2.15 0.32 0.00 -0.02 0.00 0.00 33.50 32.19 2r6u n PRO 52 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2r6u n ASP 53 N 1.34 4.05 -3.65 2.55 5.75 -1.10 -4.64 116.55 120.85 2r6u n ASP 53 Ca 0.09 -2.10 -0.15 0.00 -0.01 0.00 0.00 54.79 52.62 2r6u n ASP 53 Cb 0.33 -0.49 -0.08 0.00 -1.03 0.00 0.00 41.12 39.85 2r6u n ASP 53 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 2r6u s GLU 54 N -1.20 0.77 0.79 0.11 2.12 -1.26 -4.98 118.70 115.04 2r6u s GLU 54 Ca 0.47 0.51 -0.10 0.00 0.36 0.00 0.00 54.97 56.21 2r6u s GLU 54 Cb 0.26 0.36 0.07 0.00 0.26 0.00 0.00 34.13 35.08 2r6u s GLU 54 CO 0.30 -0.16 1.10 -2.14 -0.54 0.00 0.00 175.26 173.82 2r6u s PRO 55 N -0.32 2.12 0.00 4.30 0.02 -1.26 -4.57 135.00 135.29 2r6u s PRO 55 Ca -0.05 1.19 0.00 0.00 0.02 0.00 0.00 61.00 62.16 2r6u s PRO 55 Cb -0.03 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.61 2r6u s PRO 55 CO 0.04 -1.74 0.00 0.41 -0.33 0.00 0.00 177.00 175.37 2r6u n GLY 56 N -1.10 0.86 3.42 0.52 0.00 -1.26 -5.09 105.19 102.55 2r6u n GLY 56 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 2r6u n GLY 56 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2r6u s TYR 57 N -2.00 -0.12 0.14 1.61 -0.85 -1.26 -5.17 117.35 109.70 2r6u s TYR 57 Ca 0.00 -0.21 0.05 0.00 -0.52 0.00 0.00 57.07 56.39 2r6u s TYR 57 Cb 0.00 0.30 -0.04 0.00 0.38 0.00 0.00 41.96 42.60 2r6u s TYR 57 CO 0.00 -0.81 -0.12 0.96 -1.52 0.00 0.00 175.55 174.06 2r6u s ILE 58 N -3.85 1.23 0.58 -3.49 -4.36 -1.26 -4.93 121.20 105.12 2r6u s ILE 58 Ca 0.07 -1.92 0.09 0.00 -0.26 0.00 0.00 60.65 58.63 2r6u s ILE 58 Cb 0.01 -1.71 0.08 0.00 1.25 0.00 0.00 42.46 42.09 2r6u s ILE 58 CO -0.07 -0.62 0.72 0.20 0.24 0.00 0.00 174.94 175.42 2r6u s ASN 59 N -2.89 4.94 0.00 4.36 0.01 -1.26 -4.56 114.94 115.54 2r6u s ASN 59 Ca 0.14 -0.99 0.00 0.00 -0.71 0.00 0.00 52.86 51.29 2r6u s ASN 59 Cb -0.00 0.44 0.00 0.00 0.41 0.00 0.00 41.25 42.09 2r6u s ASN 59 CO 0.02 -1.35 0.00 0.61 -1.51 0.00 0.00 177.10 174.86 2r6u n GLY 60 N -2.18 2.77 3.37 0.66 0.00 -0.44 -3.17 105.19 106.20 2r6u n GLY 60 Ca 0.12 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 2r6u n GLY 60 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2r6u s GLY 61 N -0.09 -0.15 -0.01 -0.02 0.00 -0.23 -0.85 107.32 105.98 2r6u s GLY 61 Ca 0.00 -0.19 0.06 0.00 0.00 0.00 0.00 44.72 44.59 2r6u s GLY 61 CO 0.00 -0.36 -0.20 1.06 0.00 0.00 0.00 173.10 173.60 2r6u s MET 62 N -3.84 1.55 0.04 2.90 -1.94 0.35 -1.28 119.30 117.08 2r6u s MET 62 Ca 0.06 -0.73 -0.00 0.00 -1.71 0.00 0.00 55.69 53.31 2r6u s MET 62 Cb 0.01 -1.52 -0.03 0.00 2.01 0.00 0.00 34.83 35.30 2r6u s MET 62 CO -0.09 0.41 -0.04 0.00 -0.01 0.00 0.00 175.02 175.30 2r6u s MET 63 N -0.56 0.46 0.19 2.03 0.23 -1.03 -1.24 119.30 119.39 2r6u s MET 63 Ca 0.07 -0.87 -0.32 0.00 -1.03 0.00 0.00 55.69 53.54 2r6u s MET 63 Cb -0.08 0.09 -0.11 0.00 -1.53 0.00 0.00 34.83 33.20 2r6u s MET 63 CO -0.00 -0.06 1.68 -1.14 -2.03 0.00 0.00 175.02 173.47 2r6u s GLN 64 N -2.45 4.15 0.25 3.16 2.00 -1.26 -0.67 119.66 124.84 2r6u s GLN 64 Ca -0.06 2.54 -0.31 0.00 -2.00 0.00 0.00 55.36 55.53 2r6u s GLN 64 Cb -0.03 -3.11 -0.13 0.00 0.80 0.00 0.00 33.01 30.54 2r6u s GLN 64 CO -0.04 -0.71 1.40 -2.13 -0.50 0.00 0.00 175.29 173.31 2r6u n ARG 65 N 4.01 2.08 0.00 1.67 0.63 0.75 -4.72 116.66 121.08 2r6u n ARG 65 Ca 0.15 0.74 0.00 0.00 -0.92 0.00 0.00 57.85 57.82 2r6u n ARG 65 Cb 0.36 -2.39 0.00 0.00 0.45 0.00 0.00 32.46 30.88 2r6u n ARG 65 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2r6u n GLY 66 N 2.01 -1.06 0.33 5.14 0.00 -1.26 -4.94 105.19 105.40 2r6u n GLY 66 Ca 0.11 0.64 0.21 0.00 0.00 0.00 0.00 46.02 46.98 2r6u n GLY 66 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2r6u h GLU 67 N 0.00 0.10 -4.53 1.61 5.08 -2.02 -3.15 114.58 111.68 2r6u h GLU 67 Ca 0.00 -0.01 -0.72 0.00 -1.00 0.00 0.00 59.36 57.64 2r6u h GLU 67 Cb 0.00 -0.02 -0.21 0.00 0.50 0.00 0.00 28.75 29.02 2r6u h GLU 67 CO 0.00 0.07 -0.40 0.08 -1.00 0.00 0.00 179.01 177.75 2r6u s VAL 68 N -5.78 5.24 -0.12 3.13 1.01 -1.26 -4.91 120.40 117.71 2r6u s VAL 68 Ca -0.11 -0.65 0.22 0.00 0.00 0.00 0.00 61.98 61.44 2r6u s VAL 68 Cb 0.30 -3.95 -0.20 0.00 0.00 0.00 0.00 36.38 32.53 2r6u s VAL 68 CO 0.78 -0.33 0.68 0.35 0.00 0.00 0.00 175.10 176.58 2r6u n THR 69 N 5.19 0.40 -4.16 3.92 -2.24 -1.19 -4.50 114.28 111.70 2r6u n THR 69 Ca -0.11 -0.56 -0.12 0.00 -2.27 0.00 0.00 64.05 61.00 2r6u n THR 69 Cb 0.47 -0.21 -0.09 0.00 -2.10 0.00 0.00 70.33 68.40 2r6u n THR 69 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2r6u s THR 70 N -3.35 0.00 0.50 4.28 -4.23 -1.26 -4.92 115.64 106.66 2r6u s THR 70 Ca -0.05 -1.87 -0.22 0.00 -1.18 0.00 0.00 61.69 58.37 2r6u s THR 70 Cb 0.11 -2.44 -0.08 0.00 1.34 0.00 0.00 72.50 71.44 2r6u s THR 70 CO 0.85 0.00 1.02 -2.65 -0.54 0.00 0.00 174.62 173.31 2r6u n PRO 71 N -0.30 1.24 -4.45 3.99 -0.02 -1.26 -4.67 135.00 129.52 2r6u n PRO 71 Ca 0.01 0.46 -0.20 0.00 -2.02 0.00 0.00 63.50 61.75 2r6u n PRO 71 Cb 0.65 -2.15 -0.14 0.00 -0.02 0.00 0.00 33.50 31.84 2r6u n PRO 71 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2r6u s VAL 72 N -1.38 0.92 0.09 -1.45 1.01 -0.53 -4.98 120.40 114.09 2r6u s VAL 72 Ca 0.68 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 62.09 2r6u s VAL 72 Cb -0.48 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 2r6u s VAL 72 CO 0.53 0.19 0.12 0.68 0.00 0.00 0.00 175.10 176.62 2r6u s VAL 73 N -0.40 4.74 -0.13 2.92 -7.23 -1.26 -0.59 120.40 118.45 2r6u s VAL 73 Ca 0.03 -0.72 0.03 0.00 -1.81 0.00 0.00 61.98 59.52 2r6u s VAL 73 Cb -0.05 -3.31 0.01 0.00 0.56 0.00 0.00 36.38 33.58 2r6u s VAL 73 CO -0.00 0.09 -0.22 -0.89 -0.31 0.00 0.00 175.10 173.77 2r6u s THR 74 N -1.47 2.02 -0.18 5.32 2.01 -0.15 -1.01 115.64 122.18 2r6u s THR 74 Ca 0.31 -0.97 -0.12 0.00 0.31 0.00 0.00 61.69 61.22 2r6u s THR 74 Cb -0.12 -1.78 -0.05 0.00 0.01 0.00 0.00 72.50 70.56 2r6u s THR 74 CO 0.24 0.55 0.22 -0.69 -0.69 0.00 0.00 174.62 174.24 2r6u s VAL 75 N 0.69 5.35 0.15 3.82 1.01 0.05 -1.32 120.40 130.14 2r6u s VAL 75 Ca -0.10 0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.95 2r6u s VAL 75 Cb -0.16 -3.56 -0.08 0.00 0.00 0.00 0.00 36.38 32.58 2r6u s VAL 75 CO 0.01 0.40 1.30 -0.62 0.00 0.00 0.00 175.10 176.20 2r6u s ASP 76 N 0.50 6.93 0.07 3.32 -1.08 -0.34 -0.75 116.67 125.31 2r6u s ASP 76 Ca 0.12 2.30 0.01 0.00 -0.52 0.00 0.00 52.55 54.46 2r6u s ASP 76 Cb -0.12 -2.60 -0.04 0.00 -1.46 0.00 0.00 42.92 38.70 2r6u s ASP 76 CO 0.02 -0.54 -0.05 0.68 0.52 0.00 0.00 175.17 175.79 2r6u s VAL 77 N 0.56 0.47 0.21 1.11 -7.23 -0.12 0.27 120.40 115.66 2r6u s VAL 77 Ca 0.59 -1.64 -0.01 0.00 -1.81 0.00 0.00 61.98 59.11 2r6u s VAL 77 Cb -0.35 -1.30 -0.04 0.00 0.56 0.00 0.00 36.38 35.25 2r6u s VAL 77 CO 0.34 -0.79 1.53 -0.08 -0.31 0.00 0.00 175.10 175.80 2r6u h GLU 78 N 3.46 0.48 -2.78 4.82 4.81 -1.97 -3.38 114.58 120.03 2r6u h GLU 78 Ca -0.35 -0.30 -0.25 0.00 -0.13 0.00 0.00 59.36 58.33 2r6u h GLU 78 Cb 1.17 0.03 -0.34 0.00 0.63 0.00 0.00 28.75 30.24 2r6u h GLU 78 CO 0.58 0.90 -0.57 0.45 -0.73 0.00 0.00 179.01 179.64 2r6u s SER 79 N -6.91 0.68 0.23 1.04 0.15 -1.26 -4.86 113.70 102.78 2r6u s SER 79 Ca -0.07 0.33 -0.07 0.00 0.70 0.00 0.00 55.95 56.84 2r6u s SER 79 Cb 0.12 0.56 0.21 0.00 -1.71 0.00 0.00 66.02 65.20 2r6u s SER 79 CO 0.83 -0.27 1.88 0.40 1.20 0.00 0.00 173.24 177.28 2r6u h ILE 80 N 6.30 1.25 -0.35 6.45 2.04 -1.93 -0.23 117.51 131.05 2r6u h ILE 80 Ca -0.15 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 2r6u h ILE 80 Cb 1.13 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 2r6u h ILE 80 CO 0.18 0.26 0.19 -0.33 0.00 0.00 0.00 178.15 178.46 2r6u h GLU 81 N 1.25 0.48 -0.65 2.37 4.39 -1.99 0.16 114.58 120.59 2r6u h GLU 81 Ca 0.33 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.90 2r6u h GLU 81 Cb -0.05 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.48 2r6u h GLU 81 CO -0.06 0.39 0.12 0.77 -1.16 0.00 0.00 179.01 179.07 2r6u h SER 82 N 0.44 1.02 -0.49 1.42 0.02 -1.93 -2.42 113.55 111.61 2r6u h SER 82 Ca 0.12 -0.25 -0.08 0.00 -0.84 0.00 0.00 61.79 60.74 2r6u h SER 82 Cb 0.05 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 2r6u h SER 82 CO -0.02 1.01 0.01 0.00 -1.14 0.00 0.00 176.83 176.69 2r6u h ALA 83 N 1.04 0.66 -0.69 3.77 0.00 -0.66 -1.20 119.26 122.18 2r6u h ALA 83 Ca 0.20 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2r6u h ALA 83 Cb 0.42 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2r6u h ALA 83 CO 0.01 0.46 0.13 -0.07 0.00 0.00 0.00 179.25 179.79 2r6u h LEU 84 N 0.72 1.08 -0.41 0.00 3.38 -0.93 0.23 115.31 119.39 2r6u h LEU 84 Ca 0.14 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.89 2r6u h LEU 84 Cb 0.50 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2r6u h LEU 84 CO 0.02 1.05 0.21 -0.08 0.09 0.00 0.00 178.44 179.74 2r6u h GLU 85 N 1.06 0.42 -0.34 1.13 4.81 -1.14 -0.99 114.58 119.53 2r6u h GLU 85 Ca 0.21 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 2r6u h GLU 85 Cb 0.42 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2r6u h GLU 85 CO 0.01 0.28 0.11 -0.09 -0.73 0.00 0.00 179.01 178.58 2r6u h ARG 86 N 0.43 0.53 -0.63 1.92 2.43 -0.82 -1.45 114.38 116.79 2r6u h ARG 86 Ca 0.17 -0.11 0.04 0.00 -0.81 0.00 0.00 59.98 59.27 2r6u h ARG 86 Cb 0.06 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.49 2r6u h ARG 86 CO -0.11 0.56 0.37 0.82 -1.51 0.00 0.00 179.97 180.10 2r6u h ILE 87 N 0.40 1.03 -0.55 1.20 2.04 -0.39 -1.07 117.51 120.18 2r6u h ILE 87 Ca 0.11 -0.25 -0.10 0.00 1.00 0.00 0.00 64.86 65.63 2r6u h ILE 87 Cb 0.25 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 2r6u h ILE 87 CO -0.00 0.13 -0.04 -0.33 0.00 0.00 0.00 178.15 177.91 2r6u h GLU 88 N 0.72 0.97 0.00 2.37 5.08 -1.03 0.71 114.58 123.40 2r6u h GLU 88 Ca 0.27 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2r6u h GLU 88 Cb 0.08 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2r6u h GLU 88 CO -0.13 0.98 -0.12 0.77 -1.00 0.00 0.00 179.01 179.51 2r6u h SER 89 N 0.88 0.00 -0.07 1.42 0.02 -0.59 -1.97 113.55 113.24 2r6u h SER 89 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2r6u h SER 89 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 2r6u h SER 89 CO 0.03 0.12 0.00 0.18 -1.14 0.00 0.00 176.83 176.02 2r6u n LEU 90 N -4.37 1.79 0.00 5.07 4.77 -0.47 -4.92 117.00 118.88 2r6u n LEU 90 Ca -0.03 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 2r6u n LEU 90 Cb 0.19 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2r6u n LEU 90 CO 0.35 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 2r6u n GLY 91 N 1.20 1.03 1.49 -0.72 0.00 -0.74 -4.91 105.19 102.54 2r6u n GLY 91 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 2r6u n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r6u n GLY 92 N -1.60 0.26 3.10 -0.02 0.00 0.19 -4.47 105.19 102.65 2r6u n GLY 92 Ca 0.00 -1.92 -0.13 0.00 0.00 0.00 0.00 46.02 43.98 2r6u n GLY 92 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2r6u s LYS 93 N -3.59 0.26 0.21 1.61 2.20 -0.64 -4.14 119.74 115.65 2r6u s LYS 93 Ca 0.26 0.29 -0.30 0.00 -0.36 0.00 0.00 55.97 55.86 2r6u s LYS 93 Cb -0.01 0.12 -0.09 0.00 -1.51 0.00 0.00 37.83 36.35 2r6u s LYS 93 CO 0.18 -0.03 1.25 0.99 -0.36 0.00 0.00 175.35 177.38 2r6u s THR 94 N 0.09 3.32 -0.26 3.43 2.01 -1.26 -0.64 115.64 122.34 2r6u s THR 94 Ca -0.00 1.13 -0.15 0.00 0.31 0.00 0.00 61.69 62.98 2r6u s THR 94 Cb -0.02 -3.72 -0.11 0.00 0.01 0.00 0.00 72.50 68.67 2r6u s THR 94 CO 0.00 0.19 -0.35 0.52 -0.69 0.00 0.00 174.62 174.29 2r6u n VAL 95 N 2.30 1.52 -4.06 3.82 0.31 0.73 -4.86 118.33 118.09 2r6u n VAL 95 Ca 0.04 -0.26 -0.17 0.00 -0.01 0.00 0.00 64.34 63.94 2r6u n VAL 95 Cb 0.44 -1.99 -0.16 0.00 -0.91 0.00 0.00 33.84 31.22 2r6u n VAL 95 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2r6u s THR 96 N -2.60 0.34 0.65 2.52 2.01 -0.78 -4.96 115.64 112.81 2r6u s THR 96 Ca -0.37 -0.06 -0.11 0.00 0.31 0.00 0.00 61.69 61.46 2r6u s THR 96 Cb 0.12 -0.37 0.15 0.00 0.01 0.00 0.00 72.50 72.42 2r6u s THR 96 CO 0.48 0.15 0.86 0.61 -0.69 0.00 0.00 174.62 176.04 2r6u n GLY 97 N 3.74 -1.45 3.66 4.40 0.00 -1.26 -1.42 105.19 112.87 2r6u n GLY 97 Ca -0.22 -1.68 -0.50 0.00 0.00 0.00 0.00 46.02 43.62 2r6u n GLY 97 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2r6u n ARG 98 N -2.89 1.80 -3.97 1.61 0.63 -1.26 -4.47 116.66 108.11 2r6u n ARG 98 Ca 0.11 0.65 -0.19 0.00 -0.92 0.00 0.00 57.85 57.50 2r6u n ARG 98 Cb 0.38 -2.40 -0.16 0.00 0.45 0.00 0.00 32.46 30.72 2r6u n ARG 98 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2r6u s THR 99 N 2.09 0.30 0.36 5.15 2.01 -0.06 -4.96 115.64 120.52 2r6u s THR 99 Ca 0.87 0.04 -0.28 0.00 0.31 0.00 0.00 61.69 62.63 2r6u s THR 99 Cb -0.80 -0.39 -0.10 0.00 0.01 0.00 0.00 72.50 71.22 2r6u s THR 99 CO 0.48 0.18 1.38 -2.16 -0.69 0.00 0.00 174.62 173.81 2r6u s PRO 100 N 1.16 4.22 -0.36 4.92 0.04 -1.26 -0.74 135.00 142.98 2r6u s PRO 100 Ca -0.08 2.36 0.01 0.00 0.04 0.00 0.00 61.00 63.33 2r6u s PRO 100 Cb -0.14 -3.01 0.10 0.00 0.04 0.00 0.00 34.50 31.50 2r6u s PRO 100 CO -0.02 -0.35 0.10 0.08 0.04 0.00 0.00 177.00 176.85 2r6u s VAL 101 N -1.14 2.70 0.00 -0.36 1.01 0.24 -4.84 120.40 118.00 2r6u s VAL 101 Ca 0.51 -2.17 0.00 0.00 0.00 0.00 0.00 61.98 60.32 2r6u s VAL 101 Cb -0.42 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.06 2r6u s VAL 101 CO 0.57 -0.60 0.00 0.61 0.00 0.00 0.00 175.10 175.68 2r6u n GLY 102 N 4.41 2.08 1.31 4.51 0.00 -1.26 -1.72 105.19 114.52 2r6u n GLY 102 Ca 0.00 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 45.92 2r6u n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2r6u n ASN 103 N -0.03 4.63 -0.05 1.61 0.23 -1.26 -4.58 115.26 115.80 2r6u n ASN 103 Ca 0.00 -3.00 -0.10 0.00 -0.53 0.00 0.00 54.58 50.95 2r6u n ASN 103 Cb 0.00 -0.61 -0.15 0.00 -2.08 0.00 0.00 39.78 36.95 2r6u n ASN 103 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 2r6u n MET 104 N -0.07 0.66 -2.00 -3.83 2.81 -0.70 -4.82 117.12 109.18 2r6u n MET 104 Ca 0.24 0.17 0.00 0.00 -1.81 0.00 0.00 57.70 56.31 2r6u n MET 104 Cb 1.03 -1.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.86 2r6u n MET 104 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2r6u n GLY 105 N 1.68 -0.54 2.91 3.03 0.00 -1.17 -1.72 105.19 109.38 2r6u n GLY 105 Ca -0.25 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 2r6u n GLY 105 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2r6u s PHE 106 N -3.46 0.14 0.22 1.61 0.08 0.55 -0.60 117.98 116.51 2r6u s PHE 106 Ca 0.00 -0.14 0.10 0.00 0.12 0.00 0.00 56.93 57.01 2r6u s PHE 106 Cb 0.00 -0.09 -0.05 0.00 -0.57 0.00 0.00 43.02 42.31 2r6u s PHE 106 CO 0.00 -0.04 -0.19 0.00 -0.10 0.00 0.00 175.22 174.89 2r6u s ALA 107 N -0.38 2.34 0.25 5.36 0.00 0.08 -0.69 121.76 128.73 2r6u s ALA 107 Ca -0.04 -1.68 -0.14 0.00 0.00 0.00 0.00 51.96 50.10 2r6u s ALA 107 Cb -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.88 2r6u s ALA 107 CO -0.00 0.25 0.52 0.00 0.00 0.00 0.00 175.76 176.53 2r6u s ALA 108 N -2.34 -0.44 0.02 0.00 0.00 -0.98 -0.88 121.76 117.14 2r6u s ALA 108 Ca 0.23 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.46 2r6u s ALA 108 Cb -0.05 1.02 -0.02 0.00 0.00 0.00 0.00 23.12 24.08 2r6u s ALA 108 CO 0.10 -0.89 -0.10 0.71 0.00 0.00 0.00 175.76 175.58 2r6u s TYR 109 N -4.00 0.90 0.10 0.00 2.02 -0.50 -0.66 117.35 115.20 2r6u s TYR 109 Ca 0.20 -0.29 -0.03 0.00 -0.37 0.00 0.00 57.07 56.57 2r6u s TYR 109 Cb -0.02 -0.55 -0.03 0.00 -0.40 0.00 0.00 41.96 40.97 2r6u s TYR 109 CO 0.08 -0.01 0.07 -0.59 -1.57 0.00 0.00 175.55 173.54 2r6u s PHE 110 N -0.69 0.55 -0.12 2.71 -0.12 -0.23 -0.19 117.98 119.88 2r6u s PHE 110 Ca -0.00 -1.00 -0.05 0.00 -0.05 0.00 0.00 56.93 55.82 2r6u s PHE 110 Cb -0.06 -0.32 -0.04 0.00 -0.63 0.00 0.00 43.02 41.97 2r6u s PHE 110 CO 0.00 -0.49 0.07 0.95 -0.05 0.00 0.00 175.22 175.70 2r6u s THR 111 N -3.96 4.90 0.38 -4.49 -4.23 0.19 -0.55 115.64 107.89 2r6u s THR 111 Ca 0.13 -0.02 -0.06 0.00 -1.18 0.00 0.00 61.69 60.56 2r6u s THR 111 Cb 0.07 -3.13 0.09 0.00 1.34 0.00 0.00 72.50 70.87 2r6u s THR 111 CO -0.05 0.58 0.45 -0.90 -0.54 0.00 0.00 174.62 174.16 2r6u n ASP 112 N 2.42 -0.41 0.11 3.99 5.68 -0.25 -1.63 116.55 126.47 2r6u n ASP 112 Ca -0.19 -1.04 0.09 0.00 -0.50 0.00 0.00 54.79 53.16 2r6u n ASP 112 Cb 0.54 -0.36 0.44 0.00 -1.14 0.00 0.00 41.12 40.59 2r6u n ASP 112 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2r6u n SER 113 N -3.42 0.45 -0.76 -1.12 3.41 -1.26 -1.79 113.62 109.13 2r6u n SER 113 Ca 0.06 0.67 0.07 0.00 -0.26 0.00 0.00 58.87 59.40 2r6u n SER 113 Cb 0.21 -0.74 0.17 0.00 -0.26 0.00 0.00 64.21 63.58 2r6u n SER 113 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2r6u n GLU 114 N -2.06 2.45 -1.00 4.33 -0.58 -1.26 -4.97 120.64 117.56 2r6u n GLU 114 Ca 0.00 -2.02 0.00 0.00 -0.42 0.00 0.00 57.16 54.73 2r6u n GLU 114 Cb 0.10 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 2r6u n GLU 114 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2r6u n GLY 115 N 0.78 0.63 3.76 0.62 0.00 -0.74 -5.03 105.19 105.21 2r6u n GLY 115 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 2r6u n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2r6u s ASN 116 N -2.30 7.46 -0.01 1.61 0.02 -1.26 -4.74 114.94 115.72 2r6u s ASN 116 Ca 0.00 2.06 -0.26 0.00 -1.02 0.00 0.00 52.86 53.64 2r6u s ASN 116 Cb 0.00 -2.61 -0.04 0.00 0.02 0.00 0.00 41.25 38.62 2r6u s ASN 116 CO 0.00 0.01 0.79 -0.69 0.02 0.00 0.00 177.10 177.24 2r6u s VAL 117 N -1.22 4.90 0.03 1.60 1.01 -1.26 -1.09 120.40 124.38 2r6u s VAL 117 Ca 0.43 1.66 0.03 0.00 0.00 0.00 0.00 61.98 64.11 2r6u s VAL 117 Cb -0.27 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 31.95 2r6u s VAL 117 CO 0.34 0.26 -0.09 -0.69 0.00 0.00 0.00 175.10 174.92 2r6u s VAL 118 N 0.60 0.69 0.26 2.92 1.01 0.29 -4.68 120.40 121.49 2r6u s VAL 118 Ca 0.42 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.52 2r6u s VAL 118 Cb -0.19 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 2r6u s VAL 118 CO 0.22 -0.16 0.44 -0.83 0.00 0.00 0.00 175.10 174.77 2r6u s GLY 119 N -1.16 1.49 0.10 4.51 0.00 -0.18 -1.07 107.32 111.01 2r6u s GLY 119 Ca -0.04 -0.95 0.10 0.00 0.00 0.00 0.00 44.72 43.83 2r6u s GLY 119 CO 0.01 -0.92 -0.26 1.08 0.00 0.00 0.00 173.10 173.01 2r6u s LEU 120 N -3.84 2.27 -0.06 0.66 1.43 0.16 -0.77 118.68 118.54 2r6u s LEU 120 Ca 0.38 -0.70 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 2r6u s LEU 120 Cb -0.10 -1.21 0.02 0.00 0.03 0.00 0.00 46.19 44.93 2r6u s LEU 120 CO 0.31 0.19 -0.08 0.86 0.23 0.00 0.00 176.35 177.87 2r6u s TRP 121 N -0.99 1.06 -0.15 0.29 -0.11 0.07 -2.31 118.94 116.80 2r6u s TRP 121 Ca 0.13 -0.36 0.02 0.00 1.22 0.00 0.00 56.10 57.11 2r6u s TRP 121 Cb -0.10 -0.86 0.01 0.00 -1.50 0.00 0.00 33.47 31.03 2r6u s TRP 121 CO 0.05 -0.24 -0.21 -2.00 -4.62 0.00 0.00 176.95 169.92 2r6u s GLU 122 N 0.88 2.97 0.41 5.86 2.12 0.13 -0.95 118.70 130.13 2r6u s GLU 122 Ca -0.11 -0.83 -0.24 0.00 0.36 0.00 0.00 54.97 54.14 2r6u s GLU 122 Cb -0.15 -2.43 -0.09 0.00 0.26 0.00 0.00 34.13 31.73 2r6u s GLU 122 CO 0.01 -0.05 1.09 0.99 -0.54 0.00 0.00 175.26 176.76 2r6u s THR 123 N 0.91 3.50 -2.00 -1.70 2.01 -1.26 -0.33 115.64 116.77 2r6u s THR 123 Ca -0.05 1.17 0.27 0.00 0.31 0.00 0.00 61.69 63.39 2r6u s THR 123 Cb -0.15 -3.61 0.76 0.00 0.01 0.00 0.00 72.50 69.51 2r6u s THR 123 CO -0.04 0.03 1.95 0.00 -0.69 0.00 0.00 174.62 175.86