#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r6u n THR 2 N 0.00 0.36 -0.03 2.03 -1.04 -1.26 -1.53 114.28 112.81 2r6u n THR 2 Ca 0.00 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 2r6u n THR 2 Cb 0.00 -1.42 0.00 0.00 -1.82 0.00 0.00 70.33 67.09 2r6u n THR 2 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2r6u n GLY 3 N 2.84 2.35 3.84 3.41 0.00 0.12 -4.99 105.19 112.76 2r6u n GLY 3 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.20 4.09 -0.44 1.61 0.52 -0.58 -4.76 118.95 119.19 2r6u s ARG 4 Ca 0.00 0.81 -0.28 0.00 -0.52 0.00 0.00 55.73 55.73 2r6u s ARG 4 Cb 0.00 -2.42 0.03 0.00 0.52 0.00 0.00 34.95 33.07 2r6u s ARG 4 CO 0.00 0.14 1.08 0.42 0.02 0.00 0.00 175.30 176.96 2r6u s ILE 5 N -1.98 4.33 -0.32 1.52 -1.09 -1.26 -1.53 121.20 120.87 2r6u s ILE 5 Ca 0.55 1.25 0.03 0.00 -2.23 0.00 0.00 60.65 60.25 2r6u s ILE 5 Cb -0.11 -4.52 0.01 0.00 -1.58 0.00 0.00 42.46 36.26 2r6u s ILE 5 CO 0.17 -0.85 0.45 1.33 -1.23 0.00 0.00 174.94 174.81 2r6u n VAL 6 N 6.53 0.00 -3.49 2.92 0.24 -0.57 -4.98 118.33 118.98 2r6u n VAL 6 Ca 0.11 -0.48 -0.12 0.00 -2.04 0.00 0.00 64.34 61.82 2r6u n VAL 6 Cb 0.48 1.05 -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 -0.61 -0.47 0.05 6.34 5.65 -1.24 -4.50 115.29 120.51 2r6u s HIS 7 Ca 0.03 0.46 -0.01 0.00 0.25 0.00 0.00 55.06 55.79 2r6u s HIS 7 Cb 0.03 0.51 -0.04 0.00 -1.18 0.00 0.00 32.58 31.90 2r6u s HIS 7 CO 0.07 -0.64 -0.03 -0.59 -0.65 0.00 0.00 174.74 172.90 2r6u s PHE 8 N -2.77 0.51 -0.02 3.88 -0.12 -1.19 -1.14 117.98 117.12 2r6u s PHE 8 Ca 0.00 -0.98 0.02 0.00 -0.05 0.00 0.00 56.93 55.92 2r6u s PHE 8 Cb -0.01 -0.37 0.00 0.00 -0.63 0.00 0.00 43.02 42.01 2r6u s PHE 8 CO -0.06 -0.34 -0.08 -1.21 -0.05 0.00 0.00 175.22 173.49 2r6u s GLU 9 N -3.56 0.79 -0.21 1.99 2.02 -0.03 -0.60 118.70 119.10 2r6u s GLU 9 Ca 0.04 -0.25 -0.01 0.00 0.02 0.00 0.00 54.97 54.77 2r6u s GLU 9 Cb 0.05 -0.75 0.01 0.00 0.10 0.00 0.00 34.13 33.54 2r6u s GLU 9 CO -0.08 0.10 -0.12 0.42 0.02 0.00 0.00 175.26 175.59 2r6u s ILE 10 N 0.17 2.67 0.46 -1.63 1.01 -0.23 -1.54 121.20 122.12 2r6u s ILE 10 Ca -0.02 -0.79 -0.17 0.00 0.00 0.00 0.00 60.65 59.67 2r6u s ILE 10 Cb -0.07 -2.20 -0.09 0.00 0.01 0.00 0.00 42.46 40.11 2r6u s ILE 10 CO 0.00 0.44 0.93 -2.16 0.00 0.00 0.00 174.94 174.15 2r6u s PRO 11 N 1.36 4.00 0.12 2.79 0.04 -1.26 -2.23 135.00 139.83 2r6u s PRO 11 Ca 0.04 0.90 0.04 0.00 0.04 0.00 0.00 61.00 62.03 2r6u s PRO 11 Cb -0.14 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 2r6u s PRO 11 CO -0.08 -0.15 -0.10 -0.59 0.04 0.00 0.00 177.00 176.13 2r6u s PHE 12 N -2.43 1.15 -0.16 0.56 -0.12 0.23 -4.85 117.98 112.35 2r6u s PHE 12 Ca 0.58 -0.75 -0.02 0.00 -0.05 0.00 0.00 56.93 56.69 2r6u s PHE 12 Cb -0.10 -0.61 -0.23 0.00 -0.63 0.00 0.00 43.02 41.46 2r6u s PHE 12 CO 0.26 0.02 0.18 -0.25 -0.05 0.00 0.00 175.22 175.38 2r6u n ASP 13 N 0.08 1.98 -3.93 1.98 8.00 -1.26 -0.33 116.55 123.07 2r6u n ASP 13 Ca -0.12 0.10 -0.30 0.00 0.71 0.00 0.00 54.79 55.17 2r6u n ASP 13 Cb 0.60 -0.64 -0.15 0.00 -0.02 0.00 0.00 41.12 40.90 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 -6.80 4.16 0.16 -2.24 -1.08 -1.26 -4.94 116.67 104.67 2r6u s ASP 14 Ca -0.25 -1.53 -0.16 0.00 -0.52 0.00 0.00 52.55 50.08 2r6u s ASP 14 Cb 0.07 -1.26 0.09 0.00 -1.46 0.00 0.00 42.92 40.36 2r6u s ASP 14 CO 0.72 -0.30 1.72 1.23 0.52 0.00 0.00 175.17 179.05 2r6u h GLY 15 N 7.88 0.42 1.01 2.66 0.00 -1.97 -0.22 103.07 112.84 2r6u h GLY 15 Ca -0.14 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2r6u h GLY 15 CO 0.45 -0.05 0.48 -0.55 0.00 0.00 0.00 176.54 176.88 2r6u h ASP 16 N 0.17 0.88 -0.21 0.19 3.32 -1.99 0.08 116.42 118.85 2r6u h ASP 16 Ca 0.18 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 2r6u h ASP 16 Cb 0.22 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2r6u h ASP 16 CO -0.26 0.65 0.08 -0.09 -1.72 0.00 0.00 179.24 177.91 2r6u h ARG 17 N 1.02 0.32 -0.24 3.56 2.43 -1.89 -1.60 114.38 117.98 2r6u h ARG 17 Ca 0.27 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 2r6u h ARG 17 Cb -0.09 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 2r6u h ARG 17 CO -0.06 0.38 0.07 0.00 -1.51 0.00 0.00 179.97 178.86 2r6u h ALA 18 N 0.93 0.32 -0.70 2.80 0.00 -0.83 0.14 119.26 121.92 2r6u h ALA 18 Ca 0.07 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2r6u h ALA 18 Cb 0.18 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2r6u h ALA 18 CO -0.01 -0.05 0.27 0.00 0.00 0.00 0.00 179.25 179.47 2r6u h ARG 19 N 0.23 1.05 -0.82 0.00 3.08 -0.98 -1.71 114.38 115.23 2r6u h ARG 19 Ca 0.08 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 2r6u h ARG 19 Cb 0.25 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 2r6u h ARG 19 CO -0.00 0.87 0.49 0.00 -1.07 0.00 0.00 179.97 180.26 2r6u h ALA 20 N 1.13 1.05 -0.00 0.04 0.00 -1.03 -1.30 119.26 119.15 2r6u h ALA 20 Ca 0.23 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.07 2r6u h ALA 20 Cb 0.22 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2r6u h ALA 20 CO -0.02 0.52 -0.18 0.35 0.00 0.00 0.00 179.25 179.93 2r6u h PHE 21 N 1.13 -0.46 -0.04 0.00 3.57 -0.34 -0.23 116.94 120.58 2r6u h PHE 21 Ca 0.29 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.61 2r6u h PHE 21 Cb -0.03 0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 2r6u h PHE 21 CO -0.00 -0.25 -0.82 1.88 -2.23 0.00 0.00 178.31 176.88 2r6u h TYR 22 N -0.29 0.54 -0.27 0.41 0.05 -1.20 0.46 116.97 116.68 2r6u h TYR 22 Ca 0.06 -0.27 0.00 0.00 0.05 0.00 0.00 58.73 58.57 2r6u h TYR 22 Cb 0.36 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.01 2r6u h TYR 22 CO -0.23 1.05 0.18 0.00 -1.05 0.00 0.00 178.16 178.11 2r6u h ARG 23 N 0.24 0.35 0.01 4.88 3.08 -1.19 -1.97 114.38 119.78 2r6u h ARG 23 Ca -0.05 -0.02 -0.24 0.00 0.07 0.00 0.00 59.98 59.74 2r6u h ARG 23 Cb 1.43 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 31.41 2r6u h ARG 23 CO 0.14 0.23 -0.99 -0.44 -1.07 0.00 0.00 179.97 177.84 2r6u h ASP 24 N 0.36 0.63 0.59 7.04 3.32 -0.92 0.12 116.42 127.55 2r6u h ASP 24 Ca 0.10 -0.51 -0.28 0.00 0.02 0.00 0.00 57.03 56.35 2r6u h ASP 24 Cb -0.04 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.32 2r6u h ASP 24 CO -0.02 1.32 -1.31 0.00 -1.72 0.00 0.00 179.24 177.50 2r6u h ALA 25 N 0.64 0.14 0.00 3.45 0.00 -0.95 -3.40 119.26 119.13 2r6u h ALA 25 Ca -0.10 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 53.87 2r6u h ALA 25 Cb 1.64 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.50 2r6u h ALA 25 CO 0.18 1.02 0.00 1.19 0.00 0.00 0.00 179.25 181.63 2r6u n PHE 26 N -3.51 0.00 -1.70 0.00 3.72 -0.75 -5.03 117.46 110.19 2r6u n PHE 26 Ca -0.10 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.18 2r6u n PHE 26 Cb 1.03 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.54 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 0.21 0.68 3.77 1.37 0.00 0.03 -5.00 105.19 106.25 2r6u n GLY 27 Ca 0.00 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.15 2r6u n GLY 27 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2r6u s TRP 28 N -2.48 2.51 -0.32 1.61 0.52 -1.18 -4.96 118.94 114.65 2r6u s TRP 28 Ca 0.00 1.27 -0.19 0.00 0.02 0.00 0.00 56.10 57.20 2r6u s TRP 28 Cb 0.00 -3.90 -0.01 0.00 -1.15 0.00 0.00 33.47 28.41 2r6u s TRP 28 CO 0.00 -2.85 0.59 0.00 0.02 0.00 0.00 176.95 174.71 2r6u s ALA 29 N -1.20 3.51 -0.14 0.98 0.00 -0.83 -4.42 121.76 119.66 2r6u s ALA 29 Ca 0.60 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.81 2r6u s ALA 29 Cb -0.43 -3.06 0.01 0.00 0.00 0.00 0.00 23.12 19.64 2r6u s ALA 29 CO 0.56 -1.11 -0.19 0.42 0.00 0.00 0.00 175.76 175.44 2r6u s ILE 30 N 2.54 1.85 -0.22 0.00 1.01 -1.26 -0.84 121.20 124.28 2r6u s ILE 30 Ca 0.23 -0.84 -0.01 0.00 0.00 0.00 0.00 60.65 60.03 2r6u s ILE 30 Cb -0.15 -1.67 0.02 0.00 0.01 0.00 0.00 42.46 40.67 2r6u s ILE 30 CO 0.12 0.51 -0.11 0.00 0.00 0.00 0.00 174.94 175.46 2r6u s ALA 31 N 1.04 2.58 0.23 9.38 0.00 0.30 -4.95 121.76 130.34 2r6u s ALA 31 Ca -0.03 -1.35 -0.30 0.00 0.00 0.00 0.00 51.96 50.28 2r6u s ALA 31 Cb -0.14 -1.51 -0.09 0.00 0.00 0.00 0.00 23.12 21.38 2r6u s ALA 31 CO -0.05 -0.62 1.21 -1.21 0.00 0.00 0.00 175.76 175.09 2r6u s GLU 32 N 1.32 4.49 0.00 0.00 2.02 -1.26 -0.29 118.70 124.97 2r6u s GLU 32 Ca 0.02 1.94 0.00 0.00 0.02 0.00 0.00 54.97 56.95 2r6u s GLU 32 Cb -0.15 -3.20 0.00 0.00 0.10 0.00 0.00 34.13 30.88 2r6u s GLU 32 CO -0.07 -0.07 0.00 -0.89 0.02 0.00 0.00 175.26 174.25 2r6u n ILE 33 N 2.02 0.00 -0.44 -1.63 2.08 -0.86 -4.94 119.36 115.58 2r6u n ILE 33 Ca 0.03 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.34 2r6u n ILE 33 Cb 0.44 -0.27 0.00 0.00 -0.75 0.00 0.00 39.64 39.06 2r6u n ILE 33 CO 0.00 0.00 0.00 0.23 0.56 0.00 0.00 176.55 177.34 2r6u n MET 36 N 0.00 0.00 -4.03 0.38 2.00 -1.26 -4.97 117.12 109.24 2r6u n MET 36 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 57.70 57.42 2r6u n MET 36 Cb 0.00 -1.62 -0.03 0.00 0.00 0.00 0.00 33.22 31.57 2r6u n MET 36 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2r6u n ASP 37 N 0.00 -0.89 -3.69 7.83 9.92 -1.26 -4.92 116.55 123.54 2r6u n ASP 37 Ca 0.00 -1.02 -0.14 0.00 -0.53 0.00 0.00 54.79 53.10 2r6u n ASP 37 Cb 0.00 -2.90 -0.09 0.00 -0.64 0.00 0.00 41.12 37.49 2r6u n ASP 37 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2r6u s TYR 38 N -3.85 -0.55 -0.22 1.24 5.04 -1.26 -4.62 117.35 113.13 2r6u s TYR 38 Ca 0.16 1.31 -0.02 0.00 -2.44 0.00 0.00 57.07 56.09 2r6u s TYR 38 Cb -0.09 0.20 0.01 0.00 0.35 0.00 0.00 41.96 42.44 2r6u s TYR 38 CO 0.90 -0.30 -0.09 -1.12 -1.34 0.00 0.00 175.55 173.60 2r6u s SER 39 N 0.10 4.00 0.16 4.32 0.01 -0.46 -2.03 113.70 119.80 2r6u s SER 39 Ca -0.01 -0.66 -0.30 0.00 1.31 0.00 0.00 55.95 56.29 2r6u s SER 39 Cb -0.04 -1.64 -0.07 0.00 0.21 0.00 0.00 66.02 64.48 2r6u s SER 39 CO 0.01 -0.06 1.18 -0.32 0.41 0.00 0.00 173.24 174.46 2r6u s MET 40 N 1.37 4.50 -0.11 12.44 1.75 0.60 -0.30 119.30 139.54 2r6u s MET 40 Ca 0.03 1.82 0.03 0.00 -1.25 0.00 0.00 55.69 56.33 2r6u s MET 40 Cb -0.15 -3.27 0.00 0.00 2.84 0.00 0.00 34.83 34.25 2r6u s MET 40 CO -0.06 -0.09 -0.23 0.08 -0.65 0.00 0.00 175.02 174.07 2r6u s VAL 41 N 0.14 2.04 -0.22 10.11 1.01 0.17 -0.54 120.40 133.11 2r6u s VAL 41 Ca 0.53 -1.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 2r6u s VAL 41 Cb -0.31 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 2r6u s VAL 41 CO 0.35 0.55 -0.05 -0.89 0.00 0.00 0.00 175.10 175.06 2r6u s THR 42 N 0.51 3.31 -0.75 3.92 2.01 -0.02 -1.19 115.64 123.43 2r6u s THR 42 Ca -0.15 -0.51 0.14 0.00 0.31 0.00 0.00 61.69 61.48 2r6u s THR 42 Cb -0.17 -2.50 -0.13 0.00 0.01 0.00 0.00 72.50 69.71 2r6u s THR 42 CO 0.05 0.43 0.62 0.35 -0.69 0.00 0.00 174.62 175.38 2r6u n THR 43 N 4.77 0.00 -3.87 -0.82 -2.24 -1.26 -1.97 114.28 108.89 2r6u n THR 43 Ca -0.18 -0.20 -0.11 0.00 -2.27 0.00 0.00 64.05 61.29 2r6u n THR 43 Cb 0.51 1.02 0.01 0.00 -2.10 0.00 0.00 70.33 69.77 2r6u n THR 43 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2r6u n GLY 44 N 1.29 1.29 3.77 3.38 0.00 -1.26 -4.99 105.19 108.67 2r6u n GLY 44 Ca 0.03 -1.36 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 2r6u n GLY 44 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2r6u s PRO 45 N -2.30 4.05 0.14 1.61 0.02 -1.26 -4.96 135.00 132.30 2r6u s PRO 45 Ca 0.20 2.46 0.07 0.00 0.02 0.00 0.00 61.00 63.75 2r6u s PRO 45 Cb -0.04 -2.90 -0.04 0.00 0.02 0.00 0.00 34.50 31.54 2r6u s PRO 45 CO 0.15 -0.54 -0.17 0.14 -0.33 0.00 0.00 177.00 176.25 2r6u s VAL 46 N -1.15 1.61 0.00 3.83 -7.23 -1.26 -2.29 120.40 113.91 2r6u s VAL 46 Ca 0.54 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 2r6u s VAL 46 Cb -0.44 -1.67 0.00 0.00 0.56 0.00 0.00 36.38 34.83 2r6u s VAL 46 CO 0.59 -0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.68 2r6u n GLY 47 N 0.53 -0.08 0.19 2.32 0.00 0.00 -4.74 105.19 103.41 2r6u n GLY 47 Ca -0.15 -1.82 0.05 0.00 0.00 0.00 0.00 46.02 44.10 2r6u n GLY 47 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2r6u h GLU 48 N 0.00 0.00 0.00 1.61 5.08 -2.01 0.46 114.58 119.72 2r6u h GLU 48 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2r6u h GLU 48 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2r6u h GLU 48 CO 0.00 0.36 -0.00 0.66 -1.00 0.00 0.00 179.01 179.03 2r6u h SER 49 N 0.00 0.00 0.00 1.42 4.64 -2.02 -3.46 113.55 114.13 2r6u h SER 49 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2r6u h SER 49 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 2r6u h SER 49 CO 0.05 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 2r6u n GLY 50 N -0.52 0.73 3.96 -0.77 0.00 0.15 -5.06 105.19 103.68 2r6u n GLY 50 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.39 3.42 0.14 1.61 -1.94 -1.26 -4.69 119.30 116.19 2r6u s MET 51 Ca 0.00 -0.76 -0.35 0.00 -1.71 0.00 0.00 55.69 52.88 2r6u s MET 51 Cb 0.00 -2.88 -0.15 0.00 2.01 0.00 0.00 34.83 33.80 2r6u s MET 51 CO 0.00 0.44 1.43 -2.30 -0.01 0.00 0.00 175.02 174.58 2r6u n PRO 52 N -1.31 1.63 -0.07 2.03 -0.02 -1.26 -0.81 135.00 135.19 2r6u n PRO 52 Ca -0.09 0.59 0.07 0.00 -2.02 0.00 0.00 63.50 62.05 2r6u n PRO 52 Cb 0.57 -2.27 0.10 0.00 -0.02 0.00 0.00 33.50 31.87 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 2.82 2.42 -4.26 2.55 5.68 -0.97 -4.73 116.55 120.06 2r6u n ASP 53 Ca 0.17 -1.69 -0.23 0.00 -0.50 0.00 0.00 54.79 52.54 2r6u n ASP 53 Cb 0.24 -0.09 -0.12 0.00 -1.14 0.00 0.00 41.12 40.01 2r6u n ASP 53 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2r6u s GLU 54 N -1.06 1.06 0.60 0.11 2.02 -1.26 -5.00 118.70 115.16 2r6u s GLU 54 Ca 0.19 -1.12 -0.16 0.00 0.02 0.00 0.00 54.97 53.90 2r6u s GLU 54 Cb 0.12 -1.27 -0.03 0.00 0.10 0.00 0.00 34.13 33.04 2r6u s GLU 54 CO 0.17 0.29 1.08 -1.25 0.02 0.00 0.00 175.26 175.58 2r6u s PRO 55 N -1.87 3.19 0.00 0.39 0.04 -1.26 -4.54 135.00 130.95 2r6u s PRO 55 Ca 0.05 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.43 2r6u s PRO 55 Cb -0.10 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2r6u s PRO 55 CO 0.04 -0.93 0.00 0.41 0.04 0.00 0.00 177.00 176.56 2r6u n GLY 56 N -0.58 0.88 3.25 0.56 0.00 -1.26 -5.07 105.19 102.97 2r6u n GLY 56 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 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 0.10 0.18 1.61 -0.85 -1.26 -5.17 117.35 109.96 2r6u s TYR 57 Ca 0.00 -0.50 0.08 0.00 -0.52 0.00 0.00 57.07 56.13 2r6u s TYR 57 Cb 0.00 0.02 -0.04 0.00 0.38 0.00 0.00 41.96 42.31 2r6u s TYR 57 CO 0.00 -0.61 -0.16 0.96 -1.52 0.00 0.00 175.55 174.22 2r6u s ILE 58 N -3.86 1.73 0.58 -3.49 -4.36 -1.26 -4.92 121.20 105.62 2r6u s ILE 58 Ca 0.06 -2.02 0.09 0.00 -0.26 0.00 0.00 60.65 58.52 2r6u s ILE 58 Cb 0.04 -1.89 0.09 0.00 1.25 0.00 0.00 42.46 41.95 2r6u s ILE 58 CO -0.10 -0.45 0.81 0.20 0.24 0.00 0.00 174.94 175.64 2r6u s ASN 59 N -2.92 5.05 0.00 4.36 0.02 -1.26 -4.53 114.94 115.65 2r6u s ASN 59 Ca 0.18 -0.80 0.00 0.00 -1.02 0.00 0.00 52.86 51.22 2r6u s ASN 59 Cb -0.04 0.25 0.00 0.00 0.02 0.00 0.00 41.25 41.49 2r6u s ASN 59 CO 0.06 -1.38 0.00 0.61 0.02 0.00 0.00 177.10 176.42 2r6u n GLY 60 N -2.29 3.04 3.20 0.66 0.00 -0.34 -3.16 105.19 106.31 2r6u n GLY 60 Ca 0.15 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.01 0.20 -0.05 -0.02 0.00 0.23 -0.66 107.32 107.01 2r6u s GLY 61 Ca 0.00 -0.74 0.07 0.00 0.00 0.00 0.00 44.72 44.04 2r6u s GLY 61 CO 0.00 -0.89 -0.25 1.06 0.00 0.00 0.00 173.10 173.02 2r6u s MET 62 N -3.88 2.37 0.06 2.90 -1.94 0.58 -1.06 119.30 118.33 2r6u s MET 62 Ca 0.07 -0.89 -0.00 0.00 -1.71 0.00 0.00 55.69 53.16 2r6u s MET 62 Cb 0.05 -2.09 -0.04 0.00 2.01 0.00 0.00 34.83 34.77 2r6u s MET 62 CO -0.09 0.42 -0.04 -1.64 -0.01 0.00 0.00 175.02 173.66 2r6u s MET 63 N -0.28 0.67 0.22 2.03 -1.94 -0.95 -1.36 119.30 117.69 2r6u s MET 63 Ca 0.00 -1.22 -0.31 0.00 -1.71 0.00 0.00 55.69 52.46 2r6u s MET 63 Cb -0.12 0.06 -0.10 0.00 2.01 0.00 0.00 34.83 36.67 2r6u s MET 63 CO 0.02 -0.07 1.55 -1.14 -0.01 0.00 0.00 175.02 175.37 2r6u s GLN 64 N -3.73 4.21 0.35 2.03 2.00 -1.26 -0.60 119.66 122.65 2r6u s GLN 64 Ca 0.07 2.40 -0.29 0.00 -2.00 0.00 0.00 55.36 55.55 2r6u s GLN 64 Cb 0.06 -3.11 -0.11 0.00 0.80 0.00 0.00 33.01 30.65 2r6u s GLN 64 CO -0.08 -0.57 1.53 0.50 -0.50 0.00 0.00 175.29 176.18 2r6u s ARG 65 N 0.39 4.10 0.00 1.67 3.52 0.55 -4.64 118.95 124.54 2r6u s ARG 65 Ca 0.66 2.59 0.00 0.00 -0.13 0.00 0.00 55.73 58.85 2r6u s ARG 65 Cb -0.44 -2.98 0.00 0.00 -1.56 0.00 0.00 34.95 29.96 2r6u s ARG 65 CO 0.38 -0.58 0.00 0.41 -0.81 0.00 0.00 175.30 174.70 2r6u n GLY 66 N 1.00 -1.56 0.27 8.12 0.00 -1.26 -4.91 105.19 106.85 2r6u n GLY 66 Ca 0.03 0.68 0.06 0.00 0.00 0.00 0.00 46.02 46.79 2r6u n GLY 66 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2r6u h GLU 67 N 0.00 0.18 -5.09 1.61 4.81 -2.01 -3.36 114.58 110.72 2r6u h GLU 67 Ca 0.00 -0.01 -0.63 0.00 -0.13 0.00 0.00 59.36 58.59 2r6u h GLU 67 Cb 0.00 -0.04 -0.18 0.00 0.63 0.00 0.00 28.75 29.16 2r6u h GLU 67 CO 0.00 0.12 -0.57 0.08 -0.73 0.00 0.00 179.01 177.92 2r6u s VAL 68 N -6.07 4.81 -0.08 0.32 1.01 -1.26 -4.99 120.40 114.15 2r6u s VAL 68 Ca -0.13 -0.01 0.10 0.00 0.00 0.00 0.00 61.98 61.94 2r6u s VAL 68 Cb 0.22 -3.22 -0.14 0.00 0.00 0.00 0.00 36.38 33.23 2r6u s VAL 68 CO 0.75 0.37 0.24 0.35 0.00 0.00 0.00 175.10 176.82 2r6u n THR 69 N 4.30 0.00 -4.07 3.92 -2.24 -1.26 -4.39 114.28 110.53 2r6u n THR 69 Ca -0.16 -0.23 -0.09 0.00 -2.27 0.00 0.00 64.05 61.30 2r6u n THR 69 Cb 0.52 0.38 -0.09 0.00 -2.10 0.00 0.00 70.33 69.04 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 -2.56 0.11 0.43 4.28 -4.23 -1.26 -4.92 115.64 107.48 2r6u s THR 70 Ca -0.03 -1.70 -0.24 0.00 -1.18 0.00 0.00 61.69 58.54 2r6u s THR 70 Cb 0.06 -1.88 -0.10 0.00 1.34 0.00 0.00 72.50 71.92 2r6u s THR 70 CO 0.40 -0.49 0.99 -2.65 -0.54 0.00 0.00 174.62 172.34 2r6u n PRO 71 N -0.10 1.30 -4.37 3.99 -0.02 -1.26 -4.69 135.00 129.85 2r6u n PRO 71 Ca -0.08 0.47 -0.19 0.00 -2.02 0.00 0.00 63.50 61.68 2r6u n PRO 71 Cb 0.63 -2.03 -0.14 0.00 -0.02 0.00 0.00 33.50 31.94 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 -1.29 0.91 0.15 -1.45 1.01 -0.59 -4.97 120.40 114.17 2r6u s VAL 72 Ca 0.64 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.94 2r6u s VAL 72 Cb -0.55 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 2r6u s VAL 72 CO 0.56 0.08 0.10 0.68 0.00 0.00 0.00 175.10 176.52 2r6u s VAL 73 N -0.59 4.34 -0.10 2.92 -7.23 -1.26 -0.85 120.40 117.63 2r6u s VAL 73 Ca 0.02 -1.07 0.03 0.00 -1.81 0.00 0.00 61.98 59.14 2r6u s VAL 73 Cb -0.06 -3.18 0.01 0.00 0.56 0.00 0.00 36.38 33.71 2r6u s VAL 73 CO 0.00 -0.05 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.68 2r6u s THR 74 N -1.65 1.62 -0.18 5.32 2.01 -0.29 -0.74 115.64 121.73 2r6u s THR 74 Ca 0.30 -0.74 -0.16 0.00 0.31 0.00 0.00 61.69 61.40 2r6u s THR 74 Cb -0.10 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 70.92 2r6u s THR 74 CO 0.22 0.46 0.38 -0.69 -0.69 0.00 0.00 174.62 174.31 2r6u s VAL 75 N 0.68 5.23 0.09 3.82 1.01 -0.16 -1.51 120.40 129.55 2r6u s VAL 75 Ca -0.13 0.70 -0.30 0.00 0.00 0.00 0.00 61.98 62.25 2r6u s VAL 75 Cb -0.16 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.44 2r6u s VAL 75 CO 0.03 0.30 1.20 -0.62 0.00 0.00 0.00 175.10 176.01 2r6u s ASP 76 N 0.84 7.07 0.09 3.32 2.15 -0.58 -1.15 116.67 128.42 2r6u s ASP 76 Ca 0.19 2.07 0.03 0.00 0.43 0.00 0.00 52.55 55.28 2r6u s ASP 76 Cb -0.14 -2.59 -0.04 0.00 -0.30 0.00 0.00 42.92 39.85 2r6u s ASP 76 CO 0.07 -0.45 -0.09 0.68 -0.17 0.00 0.00 175.17 175.22 2r6u s VAL 77 N 0.81 0.82 0.16 1.11 -7.23 0.05 0.15 120.40 116.27 2r6u s VAL 77 Ca 0.58 -1.71 -0.09 0.00 -1.81 0.00 0.00 61.98 58.95 2r6u s VAL 77 Cb -0.30 -1.42 -0.03 0.00 0.56 0.00 0.00 36.38 35.19 2r6u s VAL 77 CO 0.31 -0.66 1.52 -0.08 -0.31 0.00 0.00 175.10 175.87 2r6u h GLU 78 N 3.41 0.87 -2.94 4.82 4.57 -1.97 -3.38 114.58 119.96 2r6u h GLU 78 Ca -0.36 -0.44 -0.39 0.00 -1.18 0.00 0.00 59.36 56.99 2r6u h GLU 78 Cb 1.18 0.01 -0.39 0.00 -0.16 0.00 0.00 28.75 29.39 2r6u h GLU 78 CO 0.56 1.08 -0.70 0.45 -1.18 0.00 0.00 179.01 179.23 2r6u s SER 79 N -6.83 1.72 0.24 1.04 0.15 -1.26 -4.86 113.70 103.91 2r6u s SER 79 Ca -0.10 -0.30 -0.06 0.00 0.70 0.00 0.00 55.95 56.19 2r6u s SER 79 Cb 0.12 0.01 0.34 0.00 -1.71 0.00 0.00 66.02 64.77 2r6u s SER 79 CO 0.87 -0.32 1.84 0.40 1.20 0.00 0.00 173.24 177.23 2r6u h ILE 80 N 6.39 1.00 -0.67 6.45 2.04 -1.92 0.14 117.51 130.94 2r6u h ILE 80 Ca -0.15 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.41 2r6u h ILE 80 Cb 1.14 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 2r6u h ILE 80 CO 0.25 0.16 0.43 -0.33 0.00 0.00 0.00 178.15 178.66 2r6u h GLU 81 N 0.89 0.89 -0.30 2.37 4.39 -1.99 0.89 114.58 121.72 2r6u h GLU 81 Ca 0.37 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.93 2r6u h GLU 81 Cb 0.22 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2r6u h GLU 81 CO -0.19 0.61 -0.09 0.77 -1.16 0.00 0.00 179.01 178.95 2r6u h SER 82 N 0.91 0.60 -0.64 1.42 0.02 -1.92 -2.39 113.55 111.56 2r6u h SER 82 Ca 0.24 -0.38 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 2r6u h SER 82 Cb -0.08 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 2r6u h SER 82 CO -0.05 0.84 0.32 0.00 -1.14 0.00 0.00 176.83 176.80 2r6u h ALA 83 N 0.78 0.82 -0.49 3.77 0.00 -0.59 -1.22 119.26 122.33 2r6u h ALA 83 Ca 0.07 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 2r6u h ALA 83 Cb 0.59 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2r6u h ALA 83 CO 0.03 0.37 -0.17 -0.07 0.00 0.00 0.00 179.25 179.42 2r6u h LEU 84 N 0.88 1.00 -0.57 0.00 3.38 -0.79 0.11 115.31 119.31 2r6u h LEU 84 Ca 0.22 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.84 2r6u h LEU 84 Cb 0.09 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 2r6u h LEU 84 CO -0.03 1.15 0.34 -0.08 0.09 0.00 0.00 178.44 179.90 2r6u h GLU 85 N 0.84 0.64 -0.13 1.13 4.81 -1.24 -0.82 114.58 119.81 2r6u h GLU 85 Ca 0.12 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2r6u h GLU 85 Cb 0.74 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 2r6u h GLU 85 CO 0.06 0.42 0.03 -0.09 -0.73 0.00 0.00 179.01 178.70 2r6u h ARG 86 N 0.66 0.20 -0.71 1.92 2.43 -0.80 -1.86 114.38 116.22 2r6u h ARG 86 Ca 0.23 -0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.47 2r6u h ARG 86 Cb 0.05 -0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 29.49 2r6u h ARG 86 CO -0.11 0.37 0.31 0.82 -1.51 0.00 0.00 179.97 179.85 2r6u h ILE 87 N 0.00 0.75 -0.72 1.20 2.04 -0.63 -1.44 117.51 118.71 2r6u h ILE 87 Ca 0.04 -0.17 -0.06 0.00 1.00 0.00 0.00 64.86 65.66 2r6u h ILE 87 Cb 0.26 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 2r6u h ILE 87 CO 0.00 0.09 0.20 -0.33 0.00 0.00 0.00 178.15 178.11 2r6u h GLU 88 N 0.50 1.13 0.00 2.37 5.08 -0.99 0.23 114.58 122.89 2r6u h GLU 88 Ca 0.37 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 2r6u h GLU 88 Cb 0.48 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2r6u h GLU 88 CO -0.33 0.98 -0.19 0.66 -1.00 0.00 0.00 179.01 179.13 2r6u h SER 89 N 1.08 0.00 -0.38 1.42 4.64 -0.53 -2.40 113.55 117.39 2r6u h SER 89 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2r6u h SER 89 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2r6u h SER 89 CO -0.00 0.19 0.00 0.18 -0.87 0.00 0.00 176.83 176.33 2r6u n LEU 90 N -4.01 2.37 0.00 5.97 4.77 -0.62 -4.93 117.00 120.55 2r6u n LEU 90 Ca -0.02 -1.12 0.00 0.00 -0.03 0.00 0.00 56.01 54.84 2r6u n LEU 90 Cb 0.27 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2r6u n LEU 90 CO 0.34 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 2r6u n GLY 91 N 1.24 0.84 2.14 -0.72 0.00 -0.90 -4.87 105.19 102.92 2r6u n GLY 91 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.00 0.64 3.05 -0.02 0.00 0.02 -4.45 105.19 102.43 2r6u n GLY 92 Ca 0.00 -1.99 -0.12 0.00 0.00 0.00 0.00 46.02 43.91 2r6u n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r6u s LYS 93 N -3.90 0.25 0.14 1.61 1.02 -0.53 -4.16 119.74 114.17 2r6u s LYS 93 Ca 0.37 0.05 -0.30 0.00 0.02 0.00 0.00 55.97 56.10 2r6u s LYS 93 Cb -0.02 0.11 -0.07 0.00 -0.52 0.00 0.00 37.83 37.33 2r6u s LYS 93 CO 0.24 -0.04 1.23 0.99 -0.92 0.00 0.00 175.35 176.85 2r6u s THR 94 N -0.30 3.65 -0.24 2.17 2.01 -1.26 -0.48 115.64 121.18 2r6u s THR 94 Ca -0.04 1.29 -0.16 0.00 0.31 0.00 0.00 61.69 63.09 2r6u s THR 94 Cb -0.03 -3.82 -0.12 0.00 0.01 0.00 0.00 72.50 68.54 2r6u s THR 94 CO 0.00 0.16 -0.25 0.52 -0.69 0.00 0.00 174.62 174.36 2r6u n VAL 95 N 3.16 1.52 -4.13 3.82 0.31 0.21 -4.87 118.33 118.35 2r6u n VAL 95 Ca 0.07 -0.21 -0.18 0.00 -0.01 0.00 0.00 64.34 64.01 2r6u n VAL 95 Cb 0.45 -2.01 -0.15 0.00 -0.91 0.00 0.00 33.84 31.21 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 -2.54 0.42 1.09 2.52 2.01 -0.84 -4.96 115.64 113.34 2r6u s THR 96 Ca -0.34 -0.13 -0.18 0.00 0.31 0.00 0.00 61.69 61.34 2r6u s THR 96 Cb 0.11 -0.42 0.26 0.00 0.01 0.00 0.00 72.50 72.46 2r6u s THR 96 CO 0.48 0.16 1.26 0.61 -0.69 0.00 0.00 174.62 176.45 2r6u n GLY 97 N 3.58 -2.00 3.66 4.40 0.00 -1.26 -1.84 105.19 111.73 2r6u n GLY 97 Ca -0.21 -1.63 -0.49 0.00 0.00 0.00 0.00 46.02 43.70 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 -4.25 1.87 -3.79 1.61 0.63 -1.26 -4.48 116.66 106.99 2r6u n ARG 98 Ca 0.16 0.68 -0.18 0.00 -0.92 0.00 0.00 57.85 57.59 2r6u n ARG 98 Cb 0.59 -2.44 -0.17 0.00 0.45 0.00 0.00 32.46 30.89 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 2.11 0.04 0.32 5.15 2.01 0.16 -4.95 115.64 120.48 2r6u s THR 99 Ca 0.86 0.23 -0.29 0.00 0.31 0.00 0.00 61.69 62.80 2r6u s THR 99 Cb -0.78 -0.20 -0.11 0.00 0.01 0.00 0.00 72.50 71.42 2r6u s THR 99 CO 0.47 0.15 1.57 -2.84 -0.69 0.00 0.00 174.62 173.28 2r6u s PRO 100 N 1.47 4.11 -0.05 4.92 0.02 -1.26 -0.63 135.00 143.57 2r6u s PRO 100 Ca -0.04 2.59 0.02 0.00 0.02 0.00 0.00 61.00 63.59 2r6u s PRO 100 Cb -0.13 -3.00 0.01 0.00 0.02 0.00 0.00 34.50 31.40 2r6u s PRO 100 CO -0.03 -0.62 -0.10 0.08 -0.33 0.00 0.00 177.00 176.01 2r6u s VAL 101 N -0.28 0.92 0.00 3.83 1.01 -0.65 -4.86 120.40 120.37 2r6u s VAL 101 Ca 0.61 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.22 2r6u s VAL 101 Cb -0.48 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.04 2r6u s VAL 101 CO 0.52 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.53 2r6u n GLY 102 N 3.79 1.14 0.00 4.51 0.00 -1.26 -3.61 105.19 109.76 2r6u n GLY 102 Ca -0.23 -0.58 0.10 0.00 0.00 0.00 0.00 46.02 45.31 2r6u n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2r6u n ASN 103 N -2.88 0.62 -0.00 1.61 3.02 -1.26 -4.73 115.26 111.63 2r6u n ASN 103 Ca 0.00 -0.47 0.05 0.00 -0.03 0.00 0.00 54.58 54.13 2r6u n ASN 103 Cb 0.00 1.48 -0.07 0.00 -0.61 0.00 0.00 39.78 40.59 2r6u n ASN 103 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2r6u n MET 104 N -1.85 2.94 -0.24 3.52 2.81 -1.25 -5.02 117.12 118.02 2r6u n MET 104 Ca -0.00 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 2r6u n MET 104 Cb 0.43 -1.05 0.00 0.00 -0.71 0.00 0.00 33.22 31.88 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 1.35 1.49 3.08 3.03 0.00 -1.24 -1.51 105.19 111.38 2r6u n GLY 105 Ca 0.01 -0.69 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.72 0.77 0.23 1.61 0.08 0.14 -1.63 117.98 116.46 2r6u s PHE 106 Ca 0.00 -0.46 0.09 0.00 0.12 0.00 0.00 56.93 56.67 2r6u s PHE 106 Cb 0.00 -0.45 -0.05 0.00 -0.57 0.00 0.00 43.02 41.95 2r6u s PHE 106 CO 0.00 -0.05 -0.15 0.00 -0.10 0.00 0.00 175.22 174.91 2r6u s ALA 107 N -1.27 2.23 0.26 5.36 0.00 0.20 -0.66 121.76 127.87 2r6u s ALA 107 Ca -0.08 -1.73 -0.18 0.00 0.00 0.00 0.00 51.96 49.98 2r6u s ALA 107 Cb -0.09 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.92 2r6u s ALA 107 CO 0.01 0.12 0.61 0.00 0.00 0.00 0.00 175.76 176.50 2r6u s ALA 108 N -2.85 -0.84 0.01 0.00 0.00 -0.91 -0.67 121.76 116.51 2r6u s ALA 108 Ca 0.25 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.72 2r6u s ALA 108 Cb -0.02 0.93 -0.01 0.00 0.00 0.00 0.00 23.12 24.03 2r6u s ALA 108 CO 0.09 -0.95 -0.04 0.71 0.00 0.00 0.00 175.76 175.57 2r6u s TYR 109 N -3.95 0.37 0.12 0.00 2.02 -0.77 -0.70 117.35 114.45 2r6u s TYR 109 Ca 0.15 -0.25 -0.01 0.00 -0.37 0.00 0.00 57.07 56.58 2r6u s TYR 109 Cb -0.04 -0.24 -0.04 0.00 -0.40 0.00 0.00 41.96 41.25 2r6u s TYR 109 CO 0.07 -0.06 0.06 -0.59 -1.57 0.00 0.00 175.55 173.46 2r6u s PHE 110 N -0.65 0.80 -0.10 2.71 -0.12 -0.25 -0.62 117.98 119.74 2r6u s PHE 110 Ca -0.05 -1.19 -0.03 0.00 -0.05 0.00 0.00 56.93 55.61 2r6u s PHE 110 Cb -0.05 -0.45 -0.03 0.00 -0.63 0.00 0.00 43.02 41.86 2r6u s PHE 110 CO -0.00 -0.51 0.01 0.95 -0.05 0.00 0.00 175.22 175.62 2r6u s THR 111 N -4.03 4.42 0.48 -4.49 -4.23 0.37 -0.68 115.64 107.48 2r6u s THR 111 Ca 0.22 -0.20 -0.08 0.00 -1.18 0.00 0.00 61.69 60.44 2r6u s THR 111 Cb 0.07 -2.87 0.12 0.00 1.34 0.00 0.00 72.50 71.16 2r6u s THR 111 CO 0.00 0.59 0.54 -0.90 -0.54 0.00 0.00 174.62 174.32 2r6u n ASP 112 N 2.26 -0.64 0.21 3.99 5.68 -0.02 -1.45 116.55 126.58 2r6u n ASP 112 Ca -0.19 -1.03 0.15 0.00 -0.50 0.00 0.00 54.79 53.23 2r6u n ASP 112 Cb 0.54 -0.45 0.75 0.00 -1.14 0.00 0.00 41.12 40.81 2r6u n ASP 112 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2r6u h SER 113 N -1.22 0.00 -0.23 -1.12 4.64 -1.89 -2.07 113.55 111.66 2r6u h SER 113 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 2r6u h SER 113 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2r6u h SER 113 CO 0.13 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.47 2r6u n GLU 114 N -2.55 1.98 -0.85 4.77 -0.58 -1.26 -4.97 120.64 117.18 2r6u n GLU 114 Ca -0.01 -1.87 0.00 0.00 -0.42 0.00 0.00 57.16 54.86 2r6u n GLU 114 Cb 0.10 -1.37 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 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 1.04 0.65 3.75 0.62 0.00 -0.78 -5.04 105.19 105.44 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 -2.21 7.62 -0.00 1.61 0.02 -1.26 -4.74 114.94 115.98 2r6u s ASN 116 Ca 0.00 1.96 -0.28 0.00 -1.02 0.00 0.00 52.86 53.52 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 0.14 0.88 -0.69 0.02 0.00 0.00 177.10 177.45 2r6u s VAL 117 N -1.20 4.86 0.03 1.60 1.01 -1.26 -0.84 120.40 124.61 2r6u s VAL 117 Ca 0.41 1.85 0.03 0.00 0.00 0.00 0.00 61.98 64.28 2r6u s VAL 117 Cb -0.26 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 31.88 2r6u s VAL 117 CO 0.32 0.22 -0.10 -0.69 0.00 0.00 0.00 175.10 174.85 2r6u s VAL 118 N 0.73 0.75 0.37 2.92 1.01 0.14 -4.66 120.40 121.67 2r6u s VAL 118 Ca 0.46 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.55 2r6u s VAL 118 Cb -0.20 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 2r6u s VAL 118 CO 0.25 -0.14 0.57 -0.83 0.00 0.00 0.00 175.10 174.95 2r6u s GLY 119 N -1.16 1.43 0.06 4.51 0.00 0.09 -1.09 107.32 111.16 2r6u s GLY 119 Ca -0.03 -1.03 0.06 0.00 0.00 0.00 0.00 44.72 43.72 2r6u s GLY 119 CO 0.01 -0.93 -0.17 1.08 0.00 0.00 0.00 173.10 173.08 2r6u s LEU 120 N -4.36 2.23 -0.04 0.66 1.43 0.13 -0.99 118.68 117.74 2r6u s LEU 120 Ca 0.43 -0.57 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 2r6u s LEU 120 Cb -0.10 -0.72 0.01 0.00 0.03 0.00 0.00 46.19 45.41 2r6u s LEU 120 CO 0.36 0.04 -0.08 0.86 0.23 0.00 0.00 176.35 177.76 2r6u s TRP 121 N -1.02 0.91 -0.17 0.29 -0.11 -0.30 -2.13 118.94 116.41 2r6u s TRP 121 Ca 0.03 -0.25 0.01 0.00 1.22 0.00 0.00 56.10 57.10 2r6u s TRP 121 Cb -0.09 -0.70 0.03 0.00 -1.50 0.00 0.00 33.47 31.21 2r6u s TRP 121 CO 0.02 -0.15 -0.12 -2.00 -4.62 0.00 0.00 176.95 170.09 2r6u s GLU 122 N 0.48 2.14 0.28 5.86 2.12 0.16 -0.77 118.70 128.97 2r6u s GLU 122 Ca -0.07 -0.68 -0.29 0.00 0.36 0.00 0.00 54.97 54.29 2r6u s GLU 122 Cb -0.11 -2.23 -0.10 0.00 0.26 0.00 0.00 34.13 31.95 2r6u s GLU 122 CO 0.01 -0.33 1.18 0.99 -0.54 0.00 0.00 175.26 176.57 2r6u s THR 123 N 1.46 3.25 0.07 -1.70 2.01 -1.26 -0.68 115.64 118.78 2r6u s THR 123 Ca 0.02 1.23 -0.31 0.00 0.31 0.00 0.00 61.69 62.95 2r6u s THR 123 Cb -0.14 -3.78 -0.07 0.00 0.01 0.00 0.00 72.50 68.51 2r6u s THR 123 CO -0.10 0.28 1.37 0.00 -0.69 0.00 0.00 174.62 175.49 2r6u s ALA 124 N -1.02 3.56 0.00 7.40 0.00 -0.57 -4.91 121.76 126.22 2r6u s ALA 124 Ca 0.47 1.00 0.00 0.00 0.00 0.00 0.00 51.96 53.43 2r6u s ALA 124 Cb -0.35 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.23 2r6u s ALA 124 CO 0.44 -0.69 0.00 0.54 0.00 0.00 0.00 175.76 176.05