#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r2u h TRP 25 N 0.00 0.85 -0.45 4.78 4.06 -2.01 -2.70 115.95 120.48 2r2u h TRP 25 Ca 0.00 0.02 0.08 0.00 2.06 0.00 0.00 58.89 61.05 2r2u h TRP 25 Cb 0.00 -0.28 -0.07 0.00 -1.00 0.00 0.00 29.16 27.81 2r2u h TRP 25 CO 0.00 0.50 0.03 -0.07 -3.56 0.00 0.00 178.44 175.34 2r2u h LEU 26 N 0.88 -0.12 -1.40 -4.49 3.38 -2.01 -1.38 115.31 110.17 2r2u h LEU 26 Ca 0.29 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.36 2r2u h LEU 26 Cb 0.06 0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2r2u h LEU 26 CO -0.08 -0.03 0.00 0.77 0.09 0.00 0.00 178.44 179.19 2r2u h SER 27 N 0.15 0.00 1.11 -0.43 4.64 -1.94 -3.10 113.55 113.97 2r2u h SER 27 Ca 0.23 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.44 2r2u h SER 27 Cb 0.32 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 2r2u h SER 27 CO -0.35 0.00 -0.94 0.44 -0.87 0.00 0.00 176.83 175.11 2r2u h ASP 28 N 0.00 0.00 -2.02 4.97 3.32 -1.18 -3.41 116.42 118.10 2r2u h ASP 28 Ca 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 2r2u h ASP 28 Cb 0.52 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.68 2r2u h ASP 28 CO 0.00 0.43 -1.10 0.49 -1.72 0.00 0.00 179.24 177.34 2r2u n PHE 29 N -2.99 -0.34 0.01 4.55 3.72 -0.87 -4.95 117.46 116.59 2r2u n PHE 29 Ca -0.03 -3.56 -0.00 0.00 -0.05 0.00 0.00 57.45 53.81 2r2u n PHE 29 Cb 0.74 -0.32 0.30 0.00 -0.94 0.00 0.00 39.48 39.25 2r2u n PHE 29 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2r2u h PRO 30 N 4.08 0.49 -0.16 -1.08 0.11 -1.81 -2.73 132.00 130.90 2r2u h PRO 30 Ca 0.08 -0.11 -0.10 0.00 0.11 0.00 0.00 66.00 65.98 2r2u h PRO 30 Cb 0.88 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 2r2u h PRO 30 CO 0.46 0.55 -0.32 0.37 -0.21 0.00 0.00 178.00 178.85 2r2u h GLN 31 N 0.47 0.32 0.00 1.05 4.15 -1.92 -1.45 115.11 117.73 2r2u h GLN 31 Ca 0.10 -0.13 -0.09 0.00 0.77 0.00 0.00 58.65 59.30 2r2u h GLN 31 Cb 0.37 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 2r2u h GLN 31 CO 0.02 0.61 -0.40 0.00 -1.93 0.00 0.00 178.83 177.12 2r2u h ALA 32 N 1.39 0.82 -2.67 3.38 0.00 -1.74 -3.42 119.26 117.03 2r2u h ALA 32 Ca 0.04 -0.37 -0.60 0.00 0.00 0.00 0.00 54.91 53.98 2r2u h ALA 32 Cb 0.70 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 2r2u h ALA 32 CO 0.05 0.51 -0.24 -1.58 0.00 0.00 0.00 179.25 177.99 2r2u s TRP 33 N -3.25 3.62 0.24 0.00 0.52 -1.19 -0.59 118.94 118.29 2r2u s TRP 33 Ca 0.02 0.84 -0.01 0.00 0.02 0.00 0.00 56.10 56.98 2r2u s TRP 33 Cb 0.09 -2.19 0.28 0.00 -1.15 0.00 0.00 33.47 30.49 2r2u s TRP 33 CO 0.71 0.55 1.66 0.00 0.02 0.00 0.00 176.95 179.89 2r2u h ALA 34 N 4.00 0.96 0.00 0.98 0.00 -1.25 0.55 119.26 124.49 2r2u h ALA 34 Ca -0.50 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.04 2r2u h ALA 34 Cb 1.20 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2r2u h ALA 34 CO 0.65 0.61 0.00 0.39 0.00 0.00 0.00 179.25 180.89 2r2u n GLU 35 N -4.10 0.42 0.00 0.00 4.71 -1.26 -3.88 120.64 116.53 2r2u n GLU 35 Ca -0.00 0.05 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 2r2u n GLU 35 Cb 0.44 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.37 2r2u n GLU 35 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 2r2u n THR 36 N -1.12 0.00 1.44 2.62 -2.24 -1.04 -4.89 114.28 109.04 2r2u n THR 36 Ca 0.11 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.03 2r2u n THR 36 Cb 0.09 0.00 0.62 0.00 -2.10 0.00 0.00 70.33 68.94 2r2u n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2r2u n GLY 37 N 0.47 -0.89 6.08 3.38 0.00 0.19 -4.85 105.19 109.56 2r2u n GLY 37 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2r2u n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r2u n GLY 38 N 1.26 -2.02 3.77 -0.02 0.00 -1.25 -4.84 105.19 102.09 2r2u n GLY 38 Ca 0.15 -1.50 -0.39 0.00 0.00 0.00 0.00 46.02 44.27 2r2u n GLY 38 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2r2u s MET 39 N 0.00 4.25 0.75 1.61 1.75 -1.26 -4.76 119.30 121.63 2r2u s MET 39 Ca 0.00 1.93 -0.10 0.00 -1.25 0.00 0.00 55.69 56.28 2r2u s MET 39 Cb 0.00 -2.88 0.06 0.00 2.84 0.00 0.00 34.83 34.85 2r2u s MET 39 CO 0.00 -0.18 1.10 0.20 -0.65 0.00 0.00 175.02 175.48 2r2u s GLY 40 N -0.91 1.63 -0.30 2.11 0.00 -1.26 -5.05 107.32 103.54 2r2u s GLY 40 Ca 0.52 -0.73 -0.07 0.00 0.00 0.00 0.00 44.72 44.45 2r2u s GLY 40 CO 0.43 -0.29 0.84 -2.27 0.00 0.00 0.00 173.10 171.81 2r2u s LEU 41 N -5.40 -0.91 -0.88 0.66 0.20 0.12 -4.55 118.68 107.92 2r2u s LEU 41 Ca 0.61 0.47 -0.25 0.00 0.69 0.00 0.00 54.13 55.64 2r2u s LEU 41 Cb -0.11 1.72 -0.06 0.00 -0.43 0.00 0.00 46.19 47.31 2r2u s LEU 41 CO 0.47 -0.17 2.02 0.00 -0.29 0.00 0.00 176.35 178.38 2r2u s ALA 42 N 2.91 1.52 0.60 5.97 0.00 -0.22 -4.19 121.76 128.35 2r2u s ALA 42 Ca 0.11 -1.38 0.31 0.00 0.00 0.00 0.00 51.96 51.00 2r2u s ALA 42 Cb -0.11 -4.55 1.81 0.00 0.00 0.00 0.00 23.12 20.27 2r2u s ALA 42 CO -0.17 -4.97 2.18 -0.39 0.00 0.00 0.00 175.76 172.41 2r2u h VAL 43 N 7.32 0.41 -0.00 0.00 -1.51 -1.76 -2.47 116.25 118.24 2r2u h VAL 43 Ca 0.08 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.55 2r2u h VAL 43 Cb 1.01 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 31.08 2r2u h VAL 43 CO 1.18 0.00 -0.47 0.54 -1.23 0.00 0.00 177.57 177.58 2r2u n ARG 44 N -3.69 0.48 -3.35 5.19 5.12 -1.26 -4.86 116.66 114.29 2r2u n ARG 44 Ca -0.01 -0.32 -0.39 0.00 -1.93 0.00 0.00 57.85 55.20 2r2u n ARG 44 Cb 0.21 -1.49 -0.08 0.00 -1.16 0.00 0.00 32.46 29.94 2r2u n ARG 44 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2r2u s GLN 45 N -2.74 4.13 0.49 5.56 -1.52 -0.93 -5.06 119.66 119.59 2r2u s GLN 45 Ca 0.17 0.22 -0.22 0.00 -1.95 0.00 0.00 55.36 53.57 2r2u s GLN 45 Cb 0.18 -3.58 -0.06 0.00 -0.22 0.00 0.00 33.01 29.33 2r2u s GLN 45 CO 0.64 -0.14 1.21 0.00 -0.25 0.00 0.00 175.29 176.75 2r2u s ALA 46 N 1.62 2.90 0.19 6.09 0.00 -1.26 -4.80 121.76 126.50 2r2u s ALA 46 Ca 0.19 1.03 -0.33 0.00 0.00 0.00 0.00 51.96 52.86 2r2u s ALA 46 Cb -0.15 -3.43 -0.14 0.00 0.00 0.00 0.00 23.12 19.40 2r2u s ALA 46 CO 0.09 -0.87 1.43 -2.30 0.00 0.00 0.00 175.76 174.11 2r2u n PRO 47 N -0.72 1.90 -2.52 0.00 -0.02 -1.26 -4.81 135.00 127.57 2r2u n PRO 47 Ca 0.09 0.68 -0.41 0.00 -2.02 0.00 0.00 63.50 61.83 2r2u n PRO 47 Cb 0.47 -2.36 -0.04 0.00 -0.02 0.00 0.00 33.50 31.56 2r2u n PRO 47 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2r2u s LEU 48 N 0.45 4.45 -0.17 2.45 1.43 -0.40 -4.25 118.68 122.65 2r2u s LEU 48 Ca 0.74 2.03 -0.07 0.00 -1.03 0.00 0.00 54.13 55.80 2r2u s LEU 48 Cb -0.71 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 41.88 2r2u s LEU 48 CO 0.46 -0.28 0.05 -0.63 0.23 0.00 0.00 176.35 176.19 2r2u s ILE 49 N 0.16 4.72 -0.45 -0.59 1.01 -1.26 -0.23 121.20 124.57 2r2u s ILE 49 Ca 0.52 -0.06 -0.11 0.00 0.00 0.00 0.00 60.65 61.00 2r2u s ILE 49 Cb -0.29 -3.11 0.09 0.00 0.01 0.00 0.00 42.46 39.17 2r2u s ILE 49 CO 0.33 0.49 0.31 -0.63 0.00 0.00 0.00 174.94 175.44 2r2u s ILE 50 N 0.17 4.43 0.25 2.92 -1.09 -1.26 -5.04 121.20 121.58 2r2u s ILE 50 Ca 0.04 -1.45 -0.30 0.00 -2.23 0.00 0.00 60.65 56.72 2r2u s ILE 50 Cb -0.12 -3.76 -0.09 0.00 -1.58 0.00 0.00 42.46 36.91 2r2u s ILE 50 CO 0.01 -0.60 1.17 -2.84 -1.23 0.00 0.00 174.94 171.45 2r2u s PRO 51 N 1.45 4.54 0.39 2.79 0.02 -1.26 -4.97 135.00 137.95 2r2u s PRO 51 Ca 0.04 1.90 -0.01 0.00 0.02 0.00 0.00 61.00 62.95 2r2u s PRO 51 Cb -0.24 -3.19 -0.03 0.00 0.02 0.00 0.00 34.50 31.06 2r2u s PRO 51 CO 0.02 0.03 0.62 -0.51 -0.33 0.00 0.00 177.00 176.83 2r2u s LEU 52 N -1.05 3.90 0.94 -5.54 1.43 -1.26 -1.73 118.68 115.37 2r2u s LEU 52 Ca 0.48 0.59 -0.11 0.00 -1.03 0.00 0.00 54.13 54.06 2r2u s LEU 52 Cb -0.34 -3.48 0.16 0.00 0.03 0.00 0.00 46.19 42.56 2r2u s LEU 52 CO 0.41 -0.38 1.10 -0.54 0.23 0.00 0.00 176.35 177.18 2r2u s LYS 53 N -4.44 0.87 0.49 1.70 1.02 -0.31 -4.40 119.74 114.66 2r2u s LYS 53 Ca 0.42 1.20 0.14 0.00 0.02 0.00 0.00 55.97 57.75 2r2u s LYS 53 Cb -0.10 -1.74 1.14 0.00 -0.52 0.00 0.00 37.83 36.62 2r2u s LYS 53 CO 0.39 -2.62 2.11 0.00 -0.92 0.00 0.00 175.35 174.30 2r2u h ALA 54 N -1.84 1.89 -0.58 5.17 0.00 -1.98 -3.00 119.26 118.93 2r2u h ALA 54 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2r2u h ALA 54 Cb 1.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2r2u h ALA 54 CO 0.47 0.09 0.00 0.25 0.00 0.00 0.00 179.25 180.07 2r2u n THR 55 N -4.50 0.91 -2.54 0.00 -2.24 -1.26 -5.02 114.28 99.63 2r2u n THR 55 Ca -0.02 -0.95 -0.39 0.00 -2.27 0.00 0.00 64.05 60.42 2r2u n THR 55 Cb 0.11 0.58 -0.05 0.00 -2.10 0.00 0.00 70.33 68.87 2r2u n THR 55 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2r2u s SER 56 N -1.06 7.22 0.12 3.42 0.01 -1.14 -5.07 113.70 117.20 2r2u s SER 56 Ca 0.40 2.16 0.04 0.00 1.31 0.00 0.00 55.95 59.85 2r2u s SER 56 Cb 0.21 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 2r2u s SER 56 CO 0.28 -0.17 -0.09 0.42 0.41 0.00 0.00 173.24 174.09 2r2u s THR 57 N -1.29 0.98 0.51 1.44 -4.23 -1.26 -4.98 115.64 106.81 2r2u s THR 57 Ca 0.47 -1.92 -0.22 0.00 -1.18 0.00 0.00 61.69 58.84 2r2u s THR 57 Cb -0.28 -1.68 -0.07 0.00 1.34 0.00 0.00 72.50 71.81 2r2u s THR 57 CO 0.36 -0.73 1.24 -2.65 -0.54 0.00 0.00 174.62 172.30 2r2u n PRO 58 N 0.04 1.59 -5.10 3.99 -0.02 -1.26 -5.01 135.00 129.23 2r2u n PRO 58 Ca -0.12 0.58 -0.30 0.00 -2.02 0.00 0.00 63.50 61.64 2r2u n PRO 58 Cb 0.60 -2.41 -0.17 0.00 -0.02 0.00 0.00 33.50 31.50 2r2u n PRO 58 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2r2u s VAL 59 N -1.30 1.87 -0.37 -1.45 0.11 -1.26 -4.97 120.40 113.02 2r2u s VAL 59 Ca 0.69 -0.92 0.01 0.00 -2.93 0.00 0.00 61.98 58.82 2r2u s VAL 59 Cb -0.45 -1.61 0.12 0.00 -1.53 0.00 0.00 36.38 32.90 2r2u s VAL 59 CO 0.52 0.52 0.15 -0.55 -3.33 0.00 0.00 175.10 172.41 2r2u s SER 60 N 0.26 3.99 -0.18 3.54 0.15 -1.26 -1.84 113.70 118.36 2r2u s SER 60 Ca -0.14 -2.15 -0.18 0.00 0.70 0.00 0.00 55.95 54.18 2r2u s SER 60 Cb -0.16 -1.07 -0.04 0.00 -1.71 0.00 0.00 66.02 63.05 2r2u s SER 60 CO 0.07 -0.34 0.49 -0.63 1.20 0.00 0.00 173.24 174.02 2r2u s ILE 61 N 0.95 5.14 0.45 6.45 1.01 0.54 -4.88 121.20 130.86 2r2u s ILE 61 Ca 0.13 0.92 -0.24 0.00 0.00 0.00 0.00 60.65 61.46 2r2u s ILE 61 Cb -0.21 -3.82 -0.07 0.00 0.01 0.00 0.00 42.46 38.37 2r2u s ILE 61 CO -0.12 0.23 1.25 -0.75 0.00 0.00 0.00 174.94 175.55 2r2u s LYS 62 N 1.30 3.74 0.18 2.79 2.20 -1.26 -4.14 119.74 124.56 2r2u s LYS 62 Ca 0.24 2.00 -0.31 0.00 -0.36 0.00 0.00 55.97 57.53 2r2u s LYS 62 Cb -0.15 -2.52 -0.10 0.00 -1.51 0.00 0.00 37.83 33.55 2r2u s LYS 62 CO 0.09 -0.63 1.50 -1.14 -0.36 0.00 0.00 175.35 174.81 2r2u s GLN 63 N -2.54 4.25 0.26 4.03 2.00 -1.26 -4.75 119.66 121.66 2r2u s GLN 63 Ca 0.62 2.30 -0.29 0.00 -2.00 0.00 0.00 55.36 55.99 2r2u s GLN 63 Cb -0.34 -3.16 -0.09 0.00 0.80 0.00 0.00 33.01 30.22 2r2u s GLN 63 CO 0.42 -0.52 0.97 0.71 -0.50 0.00 0.00 175.29 176.37 2r2u s TYR 64 N 0.78 3.86 0.27 1.67 2.02 -1.26 -4.96 117.35 119.73 2r2u s TYR 64 Ca 0.66 1.86 -0.29 0.00 -0.37 0.00 0.00 57.07 58.92 2r2u s TYR 64 Cb -0.42 -3.02 -0.14 0.00 -0.40 0.00 0.00 41.96 37.98 2r2u s TYR 64 CO 0.35 0.23 1.21 -2.30 -1.57 0.00 0.00 175.55 173.47 2r2u n PRO 65 N 1.24 1.72 -5.18 -1.71 -0.02 -1.26 -4.97 135.00 124.81 2r2u n PRO 65 Ca -0.01 0.61 -0.32 0.00 -2.02 0.00 0.00 63.50 61.76 2r2u n PRO 65 Cb 0.47 -2.13 -0.16 0.00 -0.02 0.00 0.00 33.50 31.67 2r2u n PRO 65 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2r2u s MET 66 N -1.18 2.51 0.81 -0.52 1.75 -1.26 -5.12 119.30 116.29 2r2u s MET 66 Ca 0.62 -0.86 -0.12 0.00 -1.25 0.00 0.00 55.69 54.08 2r2u s MET 66 Cb -0.67 -2.21 0.08 0.00 2.84 0.00 0.00 34.83 34.87 2r2u s MET 66 CO 0.57 0.44 1.16 -1.54 -0.65 0.00 0.00 175.02 175.01 2r2u s SER 67 N -0.31 3.76 0.19 1.11 1.04 -1.26 -4.80 113.70 113.43 2r2u s SER 67 Ca 0.01 2.21 -0.11 0.00 0.48 0.00 0.00 55.95 58.53 2r2u s SER 67 Cb -0.13 -2.57 0.11 0.00 0.10 0.00 0.00 66.02 63.54 2r2u s SER 67 CO 0.02 -2.55 1.82 -0.61 0.98 0.00 0.00 173.24 172.90 2r2u h GLN 68 N -1.03 0.91 -0.59 4.02 4.15 -1.99 -1.53 115.11 119.06 2r2u h GLN 68 Ca -0.45 -0.10 0.11 0.00 0.77 0.00 0.00 58.65 58.98 2r2u h GLN 68 Cb 1.27 -0.18 -0.08 0.00 0.21 0.00 0.00 27.48 28.70 2r2u h GLN 68 CO 0.47 0.67 0.12 1.49 -1.93 0.00 0.00 178.83 179.65 2r2u h GLU 69 N 0.90 0.25 -0.22 1.69 4.81 -1.99 0.28 114.58 120.30 2r2u h GLU 69 Ca 0.24 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.31 2r2u h GLU 69 Cb 0.01 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.33 2r2u h GLU 69 CO -0.04 0.16 -0.42 0.00 -0.73 0.00 0.00 179.01 177.98 2r2u h ALA 70 N 1.47 0.35 -0.57 2.92 0.00 -1.87 -2.34 119.26 119.22 2r2u h ALA 70 Ca 0.31 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2r2u h ALA 70 Cb 0.45 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2r2u h ALA 70 CO -0.39 0.47 0.29 -0.09 0.00 0.00 0.00 179.25 179.52 2r2u h ARG 71 N 0.38 0.79 -0.22 0.00 2.43 -0.68 0.58 114.38 117.66 2r2u h ARG 71 Ca 0.01 -0.09 -0.16 0.00 -0.81 0.00 0.00 59.98 58.93 2r2u h ARG 71 Cb 1.02 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 2r2u h ARG 71 CO 0.09 0.60 -0.52 -0.07 -1.51 0.00 0.00 179.97 178.57 2r2u h LEU 72 N 0.80 0.70 -0.21 3.80 4.07 -0.40 -1.06 115.31 123.01 2r2u h LEU 72 Ca 0.20 -0.36 -0.07 0.00 0.08 0.00 0.00 57.88 57.73 2r2u h LEU 72 Cb 0.06 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.60 2r2u h LEU 72 CO -0.03 1.09 -0.12 1.23 -1.08 0.00 0.00 178.44 179.53 2r2u h GLY 73 N 0.98 0.50 1.47 0.83 0.00 -0.80 -3.28 103.07 102.77 2r2u h GLY 73 Ca 0.02 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 46.77 2r2u h GLY 73 CO 0.10 0.42 -0.32 -2.22 0.00 0.00 0.00 176.54 174.52 2r2u h ILE 74 N 0.16 1.28 -0.85 2.60 2.04 -0.89 -3.36 117.51 118.49 2r2u h ILE 74 Ca 0.05 -1.44 0.12 0.00 1.00 0.00 0.00 64.86 64.58 2r2u h ILE 74 Cb 0.63 1.42 -0.14 0.00 -0.74 0.00 0.00 36.82 37.99 2r2u h ILE 74 CO 0.04 0.46 -0.43 0.50 0.00 0.00 0.00 178.15 178.72 2r2u h LYS 75 N 0.51 -0.07 -1.00 2.37 3.64 -1.24 -1.72 116.57 119.04 2r2u h LYS 75 Ca 0.06 0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.61 2r2u h LYS 75 Cb 0.81 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.54 2r2u h LYS 75 CO 0.07 -0.05 0.62 -1.35 -2.27 0.00 0.00 179.45 176.47 2r2u h PRO 76 N -0.07 0.83 -0.33 1.90 0.11 -1.76 -1.46 132.00 131.22 2r2u h PRO 76 Ca 0.26 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.30 2r2u h PRO 76 Cb 0.55 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 2r2u h PRO 76 CO -0.87 0.55 0.11 0.45 -0.21 0.00 0.00 178.00 178.03 2r2u h HIS 77 N 0.85 0.51 -0.60 0.65 3.86 -1.56 -1.04 115.15 117.83 2r2u h HIS 77 Ca 0.55 -0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.68 2r2u h HIS 77 Cb 0.74 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 29.04 2r2u h HIS 77 CO -0.00 0.50 0.27 0.82 0.86 0.00 0.00 177.93 180.38 2r2u h ILE 78 N 0.37 1.22 -0.23 2.45 1.08 -1.19 -1.13 117.51 120.09 2r2u h ILE 78 Ca 0.11 -0.66 -0.00 0.00 -0.39 0.00 0.00 64.86 63.92 2r2u h ILE 78 Cb 0.22 0.53 -0.01 0.00 -3.07 0.00 0.00 36.82 34.50 2r2u h ILE 78 CO -0.01 0.26 0.13 -0.61 -0.69 0.00 0.00 178.15 177.23 2r2u h GLN 79 N 0.83 0.31 -0.49 2.37 5.75 -1.15 0.81 115.11 123.54 2r2u h GLN 79 Ca 0.20 -0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.73 2r2u h GLN 79 Cb 0.16 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.60 2r2u h GLN 79 CO -0.02 0.27 0.21 -0.09 -2.65 0.00 0.00 178.83 176.55 2r2u h ARG 80 N 0.27 0.40 -0.59 1.69 2.43 -0.97 0.10 114.38 117.71 2r2u h ARG 80 Ca 0.08 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 2r2u h ARG 80 Cb 0.05 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 2r2u h ARG 80 CO -0.01 0.26 0.19 -0.07 -1.51 0.00 0.00 179.97 178.83 2r2u h LEU 81 N 0.41 0.81 -0.28 3.80 3.38 -0.63 0.10 115.31 122.90 2r2u h LEU 81 Ca 0.23 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 2r2u h LEU 81 Cb 0.20 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2r2u h LEU 81 CO -0.20 0.75 -0.20 -0.07 0.09 0.00 0.00 178.44 178.81 2r2u h LEU 82 N 0.85 0.67 -0.49 1.67 3.38 -0.23 0.27 115.31 121.43 2r2u h LEU 82 Ca 0.20 -0.44 0.05 0.00 0.09 0.00 0.00 57.88 57.77 2r2u h LEU 82 Cb 0.23 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 2r2u h LEU 82 CO -0.01 0.97 0.23 0.44 0.09 0.00 0.00 178.44 180.16 2r2u h ASP 83 N 0.37 0.32 0.34 -0.43 3.32 -0.38 -0.26 116.42 119.71 2r2u h ASP 83 Ca 0.05 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2r2u h ASP 83 Cb 0.75 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.27 2r2u h ASP 83 CO 0.05 0.23 0.00 0.00 -1.72 0.00 0.00 179.24 177.80 2r2u n GLN 84 N -4.91 0.39 -1.10 3.56 6.02 -0.01 -4.87 117.38 116.45 2r2u n GLN 84 Ca 0.04 0.06 -0.03 0.00 -0.01 0.00 0.00 57.00 57.06 2r2u n GLN 84 Cb 0.14 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.89 2r2u n GLN 84 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2r2u n GLY 85 N 0.56 0.60 0.15 1.08 0.00 -0.11 -4.86 105.19 102.61 2r2u n GLY 85 Ca 0.12 -0.29 0.03 0.00 0.00 0.00 0.00 46.02 45.88 2r2u n GLY 85 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2r2u h ILE 86 N 0.00 0.85 -4.53 -0.61 2.04 -1.21 -3.43 117.51 110.63 2r2u h ILE 86 Ca -0.07 -2.13 -0.70 0.00 1.00 0.00 0.00 64.86 62.97 2r2u h ILE 86 Cb 0.44 2.37 -0.30 0.00 -0.74 0.00 0.00 36.82 38.59 2r2u h ILE 86 CO 0.10 0.47 -0.88 -0.76 0.00 0.00 0.00 178.15 177.08 2r2u s LEU 87 N -6.51 2.09 0.03 1.44 1.43 -0.95 -1.30 118.68 114.91 2r2u s LEU 87 Ca 0.04 -0.46 -0.00 0.00 -1.03 0.00 0.00 54.13 52.68 2r2u s LEU 87 Cb 0.08 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 44.92 2r2u s LEU 87 CO 0.74 0.31 -0.03 0.68 0.23 0.00 0.00 176.35 178.28 2r2u s VAL 88 N -0.58 0.18 0.56 -1.59 -7.23 -0.20 -4.34 120.40 107.21 2r2u s VAL 88 Ca 0.09 -1.27 -0.19 0.00 -1.81 0.00 0.00 61.98 58.79 2r2u s VAL 88 Cb -0.10 -0.78 -0.05 0.00 0.56 0.00 0.00 36.38 36.01 2r2u s VAL 88 CO -0.01 -0.69 1.15 -2.84 -0.31 0.00 0.00 175.10 172.41 2r2u s PRO 89 N -2.43 3.21 0.03 4.82 0.02 -1.26 -0.32 135.00 139.06 2r2u s PRO 89 Ca -0.07 1.67 -0.28 0.00 0.02 0.00 0.00 61.00 62.34 2r2u s PRO 89 Cb -0.03 -1.98 0.09 0.00 0.02 0.00 0.00 34.50 32.60 2r2u s PRO 89 CO -0.04 -0.98 0.93 0.00 -0.33 0.00 0.00 177.00 176.58 2r2u s GLN 91 N -3.12 2.83 -0.02 0.00 0.74 -1.26 -3.98 119.66 114.85 2r2u s GLN 91 Ca 0.07 -0.77 -0.03 0.00 0.05 0.00 0.00 55.36 54.69 2r2u s GLN 91 Cb -0.01 -2.44 0.00 0.00 1.10 0.00 0.00 33.01 31.66 2r2u s GLN 91 CO -0.06 -0.19 0.06 0.45 -0.55 0.00 0.00 175.29 175.00 2r2u s SER 92 N 1.28 -0.02 0.00 6.67 0.15 -1.26 -4.99 113.70 115.53 2r2u s SER 92 Ca 0.04 0.02 0.14 0.00 0.70 0.00 0.00 55.95 56.85 2r2u s SER 92 Cb -0.13 0.14 0.70 0.00 -1.71 0.00 0.00 66.02 65.02 2r2u s SER 92 CO -0.11 -0.10 1.42 -0.81 1.20 0.00 0.00 173.24 174.84 2r2u n PRO 93 N 2.69 0.14 -4.03 5.44 -0.04 -1.26 -4.60 135.00 133.34 2r2u n PRO 93 Ca -0.15 0.18 -0.34 0.00 -0.04 0.00 0.00 63.50 63.16 2r2u n PRO 93 Cb 0.59 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.48 2r2u n PRO 93 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2r2u s TRP 94 N -2.71 3.41 -0.28 0.54 0.52 -1.26 -4.14 118.94 115.02 2r2u s TRP 94 Ca 0.12 0.31 -0.18 0.00 0.02 0.00 0.00 56.10 56.36 2r2u s TRP 94 Cb 0.10 -1.80 0.12 0.00 -1.15 0.00 0.00 33.47 30.73 2r2u s TRP 94 CO 0.23 0.61 0.90 1.21 0.02 0.00 0.00 176.95 179.91 2r2u s ASN 95 N -1.61 -0.63 0.10 2.95 2.47 -0.77 -4.48 114.94 112.98 2r2u s ASN 95 Ca 0.22 1.04 0.05 0.00 0.42 0.00 0.00 52.86 54.59 2r2u s ASN 95 Cb -0.12 1.22 -0.03 0.00 -1.45 0.00 0.00 41.25 40.86 2r2u s ASN 95 CO 0.13 -0.17 -0.13 0.42 -3.72 0.00 0.00 177.10 173.63 2r2u s THR 96 N 1.19 1.18 0.26 -5.21 -4.23 -0.95 -0.34 115.64 107.54 2r2u s THR 96 Ca -0.07 -1.59 -0.29 0.00 -1.18 0.00 0.00 61.69 58.56 2r2u s THR 96 Cb -0.04 -1.37 -0.09 0.00 1.34 0.00 0.00 72.50 72.34 2r2u s THR 96 CO -0.14 -0.40 1.15 -2.16 -0.54 0.00 0.00 174.62 172.54 2r2u s PRO 97 N -2.45 4.56 -0.04 3.99 0.04 -1.26 -4.34 135.00 135.50 2r2u s PRO 97 Ca 0.05 1.88 -0.17 0.00 0.04 0.00 0.00 61.00 62.80 2r2u s PRO 97 Cb -0.06 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.24 2r2u s PRO 97 CO 0.02 0.08 0.48 -1.17 0.04 0.00 0.00 177.00 176.45 2r2u s LEU 98 N -1.18 4.40 -0.04 -3.56 2.96 -1.26 -0.88 118.68 119.11 2r2u s LEU 98 Ca 0.47 0.97 0.03 0.00 -0.22 0.00 0.00 54.13 55.39 2r2u s LEU 98 Cb -0.33 -2.72 -0.03 0.00 0.50 0.00 0.00 46.19 43.62 2r2u s LEU 98 CO 0.42 0.16 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.72 2r2u s LEU 99 N -0.31 2.81 -0.34 -0.68 1.43 0.44 -4.84 118.68 117.20 2r2u s LEU 99 Ca 0.26 -0.18 -0.23 0.00 -1.03 0.00 0.00 54.13 52.95 2r2u s LEU 99 Cb -0.17 -1.59 0.01 0.00 0.03 0.00 0.00 46.19 44.47 2r2u s LEU 99 CO 0.13 0.34 0.78 -2.84 0.23 0.00 0.00 176.35 174.99 2r2u s PRO 100 N -0.83 3.83 0.07 1.29 0.02 -1.26 -1.48 135.00 136.64 2r2u s PRO 100 Ca 0.12 0.41 0.06 0.00 0.02 0.00 0.00 61.00 61.60 2r2u s PRO 100 Cb -0.11 -3.78 -0.03 0.00 0.02 0.00 0.00 34.50 30.61 2r2u s PRO 100 CO 0.01 -0.77 -0.15 0.08 -0.33 0.00 0.00 177.00 175.84 2r2u s VAL 101 N 3.02 1.20 -0.17 3.83 1.01 -1.06 -4.94 120.40 123.30 2r2u s VAL 101 Ca 0.31 -1.25 -0.12 0.00 0.00 0.00 0.00 61.98 60.92 2r2u s VAL 101 Cb -0.14 -1.13 0.05 0.00 0.00 0.00 0.00 36.38 35.17 2r2u s VAL 101 CO 0.15 -0.13 0.43 -1.59 0.00 0.00 0.00 175.10 173.96 2r2u s LYS 102 N -1.58 0.45 0.00 2.72 -2.85 -1.26 -0.47 119.74 116.74 2r2u s LYS 102 Ca 0.00 0.70 0.00 0.00 -1.00 0.00 0.00 55.97 55.67 2r2u s LYS 102 Cb -0.09 0.12 0.00 0.00 -2.06 0.00 0.00 37.83 35.79 2r2u s LYS 102 CO 0.02 -0.11 0.05 1.63 0.10 0.00 0.00 175.35 177.04 2r2u n LYS 103 N 3.55 0.00 -0.22 1.78 5.02 -1.26 -4.94 118.16 122.08 2r2u n LYS 103 Ca -0.18 0.25 -0.16 0.00 -2.02 0.00 0.00 58.31 56.20 2r2u n LYS 103 Cb 0.56 -0.78 0.15 0.00 -0.02 0.00 0.00 35.03 34.94 2r2u n LYS 103 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2r2u n PRO 104 N -1.26 -2.66 0.00 1.97 -0.02 -1.26 -4.96 135.00 126.80 2r2u n PRO 104 Ca 0.00 -0.76 0.00 0.00 -2.02 0.00 0.00 63.50 60.72 2r2u n PRO 104 Cb 0.00 -1.13 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 2r2u n PRO 104 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r2u n GLY 105 N -2.60 -0.89 0.22 -1.23 0.00 -1.26 -4.09 105.19 95.35 2r2u n GLY 105 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 2r2u n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r2u h THR 106 N 0.00 0.64 -0.55 2.61 1.03 -1.98 -3.48 112.91 111.18 2r2u h THR 106 Ca 0.00 -0.27 0.00 0.00 -0.01 0.00 0.00 66.41 66.13 2r2u h THR 106 Cb 0.00 0.79 -0.00 0.00 -1.07 0.00 0.00 68.15 67.86 2r2u h THR 106 CO 0.00 0.05 -0.00 -3.20 -0.01 0.00 0.00 175.52 172.36 2r2u n ASN 107 N -5.24 -0.03 -4.73 0.00 5.15 -1.26 -4.84 115.26 104.30 2r2u n ASN 107 Ca -0.10 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.54 2r2u n ASN 107 Cb 0.25 -1.05 -0.08 0.00 -0.53 0.00 0.00 39.78 38.37 2r2u n ASN 107 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 2r2u s ASP 108 N -2.10 5.47 0.42 1.20 -4.77 -1.26 -5.02 116.67 110.62 2r2u s ASP 108 Ca 0.00 0.16 -0.23 0.00 -3.30 0.00 0.00 52.55 49.18 2r2u s ASP 108 Cb 0.00 -1.56 -0.09 0.00 -1.09 0.00 0.00 42.92 40.18 2r2u s ASP 108 CO 0.00 0.33 1.05 -0.31 0.70 0.00 0.00 175.17 176.94 2r2u s TYR 109 N -1.03 3.18 -0.02 2.11 1.51 -1.26 -4.46 117.35 117.39 2r2u s TYR 109 Ca 0.17 1.62 -0.03 0.00 -1.01 0.00 0.00 57.07 57.83 2r2u s TYR 109 Cb -0.12 -3.11 0.00 0.00 -0.11 0.00 0.00 41.96 38.62 2r2u s TYR 109 CO 0.07 -0.70 0.07 -0.98 -1.11 0.00 0.00 175.55 172.90 2r2u s ARG 110 N -2.71 0.14 0.15 -0.62 1.70 0.38 -4.18 118.95 113.81 2r2u s ARG 110 Ca 0.61 -0.01 -0.31 0.00 -0.47 0.00 0.00 55.73 55.54 2r2u s ARG 110 Cb -0.20 0.06 -0.10 0.00 -0.57 0.00 0.00 34.95 34.14 2r2u s ARG 110 CO 0.25 -0.02 1.64 -2.14 -1.08 0.00 0.00 175.30 173.95 2r2u s PRO 111 N -0.23 4.19 -0.27 3.89 0.02 -1.26 -2.56 135.00 138.78 2r2u s PRO 111 Ca -0.03 2.42 -0.03 0.00 0.02 0.00 0.00 61.00 63.38 2r2u s PRO 111 Cb -0.02 -3.28 0.09 0.00 0.02 0.00 0.00 34.50 31.31 2r2u s PRO 111 CO 0.00 -0.68 0.09 0.08 -0.33 0.00 0.00 177.00 176.16 2r2u s VAL 112 N 1.63 0.41 0.10 3.83 1.01 -0.55 -4.97 120.40 121.86 2r2u s VAL 112 Ca 0.73 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 2r2u s VAL 112 Cb -0.44 -1.21 -0.06 0.00 0.00 0.00 0.00 36.38 34.67 2r2u s VAL 112 CO 0.32 -0.56 1.10 -1.58 0.00 0.00 0.00 175.10 174.38 2r2u s GLN 113 N 1.87 4.54 -0.90 2.72 0.74 -1.26 -0.42 119.66 126.95 2r2u s GLN 113 Ca 0.06 1.66 -0.20 0.00 0.05 0.00 0.00 55.36 56.93 2r2u s GLN 113 Cb -0.17 -3.34 0.11 0.00 1.10 0.00 0.00 33.01 30.71 2r2u s GLN 113 CO -0.24 -0.04 1.15 0.34 -0.55 0.00 0.00 175.29 175.95 2r2u s ASP 114 N 0.48 6.54 -0.09 6.67 -1.08 -0.06 -4.84 116.67 124.29 2r2u s ASP 114 Ca 0.53 -1.80 0.14 0.00 -0.52 0.00 0.00 52.55 50.90 2r2u s ASP 114 Cb -0.27 -2.43 0.57 0.00 -1.46 0.00 0.00 42.92 39.32 2r2u s ASP 114 CO 0.31 -1.19 1.44 0.18 0.52 0.00 0.00 175.17 176.43 2r2u n LEU 115 N 7.08 3.83 -0.27 -1.34 4.77 -1.26 -4.31 117.00 125.50 2r2u n LEU 115 Ca 0.21 -1.93 0.02 0.00 -0.03 0.00 0.00 56.01 54.28 2r2u n LEU 115 Cb 0.49 -0.51 0.15 0.00 -2.33 0.00 0.00 43.42 41.22 2r2u n LEU 115 CO 0.55 0.65 1.10 0.03 -1.33 0.00 0.00 177.39 178.39 2r2u h ARG 116 N 3.20 0.67 0.00 3.23 3.08 -1.88 0.23 114.38 122.91 2r2u h ARG 116 Ca 0.00 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 2r2u h ARG 116 Cb 1.19 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 2r2u h ARG 116 CO 0.19 0.44 -0.19 0.93 -1.07 0.00 0.00 179.97 180.27 2r2u h GLU 117 N 0.69 0.00 -0.04 0.04 4.39 -2.01 -2.24 114.58 115.42 2r2u h GLU 117 Ca 0.37 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.97 2r2u h GLU 117 Cb 0.36 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2r2u h GLU 117 CO -0.25 0.19 -0.36 0.28 -1.16 0.00 0.00 179.01 177.70 2r2u h VAL 118 N 0.00 1.46 -0.81 3.13 2.07 -1.55 -3.28 116.25 117.27 2r2u h VAL 118 Ca -0.00 -1.86 0.11 0.00 0.82 0.00 0.00 66.70 65.76 2r2u h VAL 118 Cb 0.62 2.50 -0.08 0.00 -1.52 0.00 0.00 31.29 32.82 2r2u h VAL 118 CO 0.02 0.53 0.44 0.78 0.02 0.00 0.00 177.57 179.37 2r2u h ASN 119 N -0.24 0.60 0.10 0.57 2.35 -0.58 -1.20 115.58 117.19 2r2u h ASN 119 Ca -0.04 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 2r2u h ASN 119 Cb 1.06 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 39.38 2r2u h ASN 119 CO 0.07 0.32 -0.06 0.11 -1.65 0.00 0.00 177.43 176.23 2r2u h LYS 120 N 0.71 0.00 -0.02 0.81 1.57 -1.49 -2.70 116.57 115.45 2r2u h LYS 120 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 2r2u h LYS 120 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2r2u h LYS 120 CO -0.28 0.06 -0.13 0.54 -0.57 0.00 0.00 179.45 179.06 2r2u n ARG 121 N -4.05 1.87 -3.61 3.15 1.74 -0.48 -4.91 116.66 110.37 2r2u n ARG 121 Ca -0.03 -1.48 -0.36 0.00 -0.77 0.00 0.00 57.85 55.22 2r2u n ARG 121 Cb 0.14 -1.47 -0.07 0.00 -1.02 0.00 0.00 32.46 30.04 2r2u n ARG 121 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2r2u s VAL 122 N -2.14 5.35 0.25 1.55 1.01 -1.02 -1.16 120.40 124.23 2r2u s VAL 122 Ca 0.27 0.40 -0.31 0.00 0.00 0.00 0.00 61.98 62.34 2r2u s VAL 122 Cb 0.20 -3.57 -0.13 0.00 0.00 0.00 0.00 36.38 32.88 2r2u s VAL 122 CO 0.38 0.41 1.46 1.21 0.00 0.00 0.00 175.10 178.56 2r2u n GLU 123 N 3.57 2.18 -2.19 2.72 4.07 -0.70 -4.65 120.64 125.63 2r2u n GLU 123 Ca -0.14 0.78 -0.35 0.00 -0.06 0.00 0.00 57.16 57.40 2r2u n GLU 123 Cb 0.52 -2.47 0.01 0.00 -0.06 0.00 0.00 31.44 29.44 2r2u n GLU 123 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2r2u s ASP 124 N 0.38 5.66 0.13 4.31 1.01 -1.26 -4.93 116.67 121.97 2r2u s ASP 124 Ca 0.68 2.13 0.07 0.00 0.71 0.00 0.00 52.55 56.14 2r2u s ASP 124 Cb -0.62 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 40.70 2r2u s ASP 124 CO 0.49 -1.26 -0.16 0.27 0.21 0.00 0.00 175.17 174.72 2r2u s ILE 125 N -1.89 1.50 0.27 0.77 -4.36 -1.26 -5.11 121.20 111.12 2r2u s ILE 125 Ca 0.71 -1.78 -0.30 0.00 -0.26 0.00 0.00 60.65 59.03 2r2u s ILE 125 Cb -0.23 -1.63 -0.11 0.00 1.25 0.00 0.00 42.46 41.74 2r2u s ILE 125 CO 0.29 -0.37 1.55 -2.28 0.24 0.00 0.00 174.94 174.36 2r2u s HIS 126 N -2.08 2.86 -0.51 1.37 5.65 -1.26 -4.91 115.29 116.41 2r2u s HIS 126 Ca 0.11 0.84 -0.28 0.00 0.25 0.00 0.00 55.06 55.98 2r2u s HIS 126 Cb -0.05 -3.98 0.02 0.00 -1.18 0.00 0.00 32.58 27.38 2r2u s HIS 126 CO 0.04 -3.30 1.35 -2.14 -0.65 0.00 0.00 174.74 170.04 2r2u s PRO 127 N -0.32 3.46 -0.00 2.88 0.02 -1.26 -4.85 135.00 134.94 2r2u s PRO 127 Ca 0.63 0.57 0.20 0.00 0.02 0.00 0.00 61.00 62.42 2r2u s PRO 127 Cb -0.46 -4.05 -0.23 0.00 0.02 0.00 0.00 34.50 29.78 2r2u s PRO 127 CO 0.45 -1.73 0.84 0.25 -0.33 0.00 0.00 177.00 176.48 2r2u n THR 128 N 6.90 0.00 -2.41 0.99 -2.24 -1.26 -4.91 114.28 111.36 2r2u n THR 128 Ca 0.13 -0.05 -0.43 0.00 -2.27 0.00 0.00 64.05 61.44 2r2u n THR 128 Cb 0.49 0.94 -0.02 0.00 -2.10 0.00 0.00 70.33 69.63 2r2u n THR 128 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2r2u s VAL 129 N -2.95 4.19 0.53 2.28 1.01 -1.26 -5.00 120.40 119.20 2r2u s VAL 129 Ca 0.07 1.49 -0.18 0.00 0.00 0.00 0.00 61.98 63.36 2r2u s VAL 129 Cb 0.15 -3.96 -0.06 0.00 0.00 0.00 0.00 36.38 32.51 2r2u s VAL 129 CO 0.84 -0.06 1.04 -2.16 0.00 0.00 0.00 175.10 174.76 2r2u s PRO 130 N 2.79 3.62 0.51 2.72 0.04 -1.26 -5.02 135.00 138.39 2r2u s PRO 130 Ca 0.57 1.26 -0.20 0.00 0.04 0.00 0.00 61.00 62.67 2r2u s PRO 130 Cb -0.24 -2.07 -0.07 0.00 0.04 0.00 0.00 34.50 32.15 2r2u s PRO 130 CO 0.20 -0.57 1.10 0.54 0.04 0.00 0.00 177.00 178.31 2r2u s ASN 131 N -2.40 6.02 0.33 6.66 2.20 -1.26 -4.79 114.94 121.70 2r2u s ASN 131 Ca 0.65 2.11 0.11 0.00 -0.94 0.00 0.00 52.86 54.79 2r2u s ASN 131 Cb -0.16 -2.58 0.95 0.00 -2.00 0.00 0.00 41.25 37.46 2r2u s ASN 131 CO 0.28 -1.01 1.72 -0.65 -2.94 0.00 0.00 177.10 174.49 2r2u h PRO 132 N 1.48 0.50 0.63 3.55 0.11 -1.95 -0.51 132.00 135.81 2r2u h PRO 132 Ca -0.50 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 2r2u h PRO 132 Cb 1.25 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2r2u h PRO 132 CO 0.58 0.33 -0.46 -0.92 -0.21 0.00 0.00 178.00 177.32 2r2u h TYR 133 N 0.51 -1.25 -0.62 0.65 5.03 -1.97 -0.95 116.97 118.39 2r2u h TYR 133 Ca 0.66 -0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.93 2r2u h TYR 133 Cb 1.35 0.46 -0.03 0.00 1.55 0.00 0.00 36.73 40.06 2r2u h TYR 133 CO -0.01 -0.67 0.21 -0.91 -1.32 0.00 0.00 178.16 175.47 2r2u h ASN 134 N -1.05 0.84 -1.00 -2.11 2.35 -1.79 -2.62 115.58 110.20 2r2u h ASN 134 Ca -0.08 -0.13 0.03 0.00 -0.55 0.00 0.00 56.30 55.57 2r2u h ASN 134 Cb 0.87 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 38.97 2r2u h ASN 134 CO 0.03 0.78 0.66 0.25 -1.65 0.00 0.00 177.43 177.50 2r2u h LEU 135 N 0.89 1.11 -0.86 1.61 5.85 -0.88 -2.57 115.31 120.46 2r2u h LEU 135 Ca 0.21 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.80 2r2u h LEU 135 Cb 0.22 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 2r2u h LEU 135 CO -0.01 0.77 -0.51 -0.07 -0.34 0.00 0.00 178.44 178.28 2r2u h LEU 136 N 1.30 0.00 0.00 2.25 -0.00 -0.80 -3.00 115.31 115.05 2r2u h LEU 136 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.27 2r2u h LEU 136 Cb -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.62 2r2u h LEU 136 CO -0.11 0.51 0.00 -1.54 -0.00 0.00 0.00 178.44 177.30 2r2u n SER 137 N -3.72 0.00 -1.51 -0.43 3.41 -0.97 -1.92 113.62 108.48 2r2u n SER 137 Ca -0.01 0.46 -0.01 0.00 -0.26 0.00 0.00 58.87 59.05 2r2u n SER 137 Cb 0.56 -0.47 0.23 0.00 -0.26 0.00 0.00 64.21 64.27 2r2u n SER 137 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2r2u n GLY 138 N -0.65 2.76 3.24 5.00 0.00 -1.13 -4.81 105.19 109.60 2r2u n GLY 138 Ca 0.02 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 2r2u n GLY 138 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2r2u s LEU 139 N -1.89 4.05 0.28 0.99 0.20 -0.81 -5.03 118.68 116.47 2r2u s LEU 139 Ca 0.36 -1.14 -0.29 0.00 0.69 0.00 0.00 54.13 53.74 2r2u s LEU 139 Cb 0.28 -1.80 -0.10 0.00 -0.43 0.00 0.00 46.19 44.14 2r2u s LEU 139 CO 0.10 -0.28 1.38 -2.84 -0.29 0.00 0.00 176.35 174.42 2r2u s PRO 140 N 1.35 4.30 0.52 0.98 0.02 -1.26 -4.93 135.00 135.98 2r2u s PRO 140 Ca -0.03 2.26 0.27 0.00 0.02 0.00 0.00 61.00 63.52 2r2u s PRO 140 Cb -0.19 -3.10 1.40 0.00 0.02 0.00 0.00 34.50 32.63 2r2u s PRO 140 CO 0.01 -0.33 1.95 -1.35 -0.33 0.00 0.00 177.00 176.95 2r2u h PRO 141 N 4.44 0.03 -0.44 5.54 0.11 -1.98 -2.21 132.00 137.49 2r2u h PRO 141 Ca -0.47 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 2r2u h PRO 141 Cb 1.22 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2r2u h PRO 141 CO 0.73 0.02 0.14 0.66 -0.21 0.00 0.00 178.00 179.34 2r2u h SER 142 N 0.03 0.63 -1.79 -2.05 4.64 -1.96 -3.40 113.55 109.66 2r2u h SER 142 Ca 0.33 -0.20 -0.47 0.00 -0.47 0.00 0.00 61.79 60.98 2r2u h SER 142 Cb 1.28 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 63.17 2r2u h SER 142 CO -0.01 0.66 1.26 -1.00 -0.87 0.00 0.00 176.83 176.87 2r2u s HIS 143 N -5.42 1.69 -0.09 4.77 3.76 -0.83 -4.78 115.29 114.39 2r2u s HIS 143 Ca -0.13 0.74 0.19 0.00 -0.15 0.00 0.00 55.06 55.71 2r2u s HIS 143 Cb 0.11 -4.09 -0.29 0.00 1.11 0.00 0.00 32.58 29.41 2r2u s HIS 143 CO 0.77 -2.22 0.31 1.04 -0.85 0.00 0.00 174.74 173.79 2r2u n GLN 144 N 9.14 0.72 -2.99 1.40 1.13 -1.20 -4.84 117.38 120.75 2r2u n GLN 144 Ca 0.23 -0.12 -0.40 0.00 -1.94 0.00 0.00 57.00 54.77 2r2u n GLN 144 Cb 0.51 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 29.33 2r2u n GLN 144 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 2r2u s TRP 145 N -3.06 3.48 0.37 1.08 0.52 -1.25 -4.50 118.94 115.57 2r2u s TRP 145 Ca -0.08 1.19 0.08 0.00 0.02 0.00 0.00 56.10 57.32 2r2u s TRP 145 Cb 0.10 -2.89 -0.06 0.00 -1.15 0.00 0.00 33.47 29.47 2r2u s TRP 145 CO 0.83 -0.10 0.00 0.71 0.02 0.00 0.00 176.95 178.41 2r2u s TYR 146 N 1.57 2.51 -0.27 -1.98 4.12 0.29 -0.56 117.35 123.02 2r2u s TYR 146 Ca 0.36 -0.54 -0.08 0.00 0.02 0.00 0.00 57.07 56.83 2r2u s TYR 146 Cb -0.17 -1.61 0.13 0.00 -1.52 0.00 0.00 41.96 38.79 2r2u s TYR 146 CO 0.14 0.46 0.58 0.99 0.02 0.00 0.00 175.55 177.74 2r2u s THR 147 N -2.61 -0.90 -0.15 -0.71 2.01 -0.27 -0.28 115.64 112.73 2r2u s THR 147 Ca 0.35 0.04 -0.00 0.00 0.31 0.00 0.00 61.69 62.39 2r2u s THR 147 Cb 0.04 -0.91 -0.01 0.00 0.01 0.00 0.00 72.50 71.63 2r2u s THR 147 CO 0.19 0.01 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.31 2r2u s VAL 148 N 2.81 2.93 0.14 3.82 1.01 0.04 -0.15 120.40 131.01 2r2u s VAL 148 Ca -0.02 -0.69 0.10 0.00 0.00 0.00 0.00 61.98 61.38 2r2u s VAL 148 Cb -0.12 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 2r2u s VAL 148 CO -0.17 0.51 -0.23 -0.76 0.00 0.00 0.00 175.10 174.44 2r2u s LEU 149 N 0.67 2.36 -0.14 3.92 1.43 -0.10 -2.35 118.68 124.46 2r2u s LEU 149 Ca -0.07 -0.77 -0.01 0.00 -1.03 0.00 0.00 54.13 52.26 2r2u s LEU 149 Cb -0.15 -1.04 0.04 0.00 0.03 0.00 0.00 46.19 45.06 2r2u s LEU 149 CO 0.02 0.09 -0.05 1.51 0.23 0.00 0.00 176.35 178.15 2r2u s ASP 150 N -2.24 2.55 0.24 2.29 -4.77 -1.26 0.13 116.67 113.61 2r2u s ASP 150 Ca 0.13 -0.52 -0.30 0.00 -3.30 0.00 0.00 52.55 48.57 2r2u s ASP 150 Cb -0.09 -0.85 -0.09 0.00 -1.09 0.00 0.00 42.92 40.80 2r2u s ASP 150 CO 0.06 -0.17 1.21 -0.76 0.70 0.00 0.00 175.17 176.21 2r2u s LEU 151 N 1.69 4.47 -0.04 2.11 1.43 0.05 -2.23 118.68 126.16 2r2u s LEU 151 Ca 0.02 2.36 -0.18 0.00 -1.03 0.00 0.00 54.13 55.30 2r2u s LEU 151 Cb -0.14 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.41 2r2u s LEU 151 CO -0.08 -0.36 0.51 -0.75 0.23 0.00 0.00 176.35 175.91 2r2u s LYS 152 N -0.88 4.23 -1.55 1.70 2.47 0.95 -4.22 119.74 122.44 2r2u s LYS 152 Ca 0.50 0.57 -0.07 0.00 -1.56 0.00 0.00 55.97 55.41 2r2u s LYS 152 Cb -0.34 -3.34 0.06 0.00 -1.46 0.00 0.00 37.83 32.74 2r2u s LYS 152 CO 0.41 0.38 0.43 -0.25 0.16 0.00 0.00 175.35 176.48 2r2u n ASP 153 N 2.79 -0.88 -0.02 1.43 8.00 -1.26 -4.62 116.55 121.98 2r2u n ASP 153 Ca -0.09 -1.09 -0.11 0.00 0.71 0.00 0.00 54.79 54.21 2r2u n ASP 153 Cb 0.51 -2.52 -0.05 0.00 -0.02 0.00 0.00 41.12 39.04 2r2u n ASP 153 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2r2u h ALA 154 N 0.85 -0.48 -0.59 2.24 0.00 -1.92 -2.39 119.26 116.96 2r2u h ALA 154 Ca -0.63 0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.39 2r2u h ALA 154 Cb 1.38 0.75 -0.07 0.00 0.00 0.00 0.00 17.79 19.86 2r2u h ALA 154 CO 0.71 -0.87 0.23 0.74 0.00 0.00 0.00 179.25 180.05 2r2u h PHE 155 N -0.43 0.40 0.00 0.00 0.04 -1.89 -0.51 116.94 114.56 2r2u h PHE 155 Ca 0.10 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.89 2r2u h PHE 155 Cb 0.60 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.66 2r2u h PHE 155 CO -0.49 0.11 0.02 1.19 -0.60 0.00 0.00 178.31 178.55 2r2u n PHE 156 N -4.98 0.47 0.18 -0.55 3.72 -0.91 -0.50 117.46 114.88 2r2u n PHE 156 Ca 0.08 0.24 0.06 0.00 -0.05 0.00 0.00 57.45 57.79 2r2u n PHE 156 Cb 0.25 -0.87 0.21 0.00 -0.94 0.00 0.00 39.48 38.13 2r2u n PHE 156 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2r2u s LEU 158 N -6.57 4.13 0.61 0.00 1.43 0.35 -1.05 118.68 117.58 2r2u s LEU 158 Ca 0.03 0.81 -0.13 0.00 -1.03 0.00 0.00 54.13 53.81 2r2u s LEU 158 Cb 0.08 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 2r2u s LEU 158 CO 0.70 -0.28 1.03 -0.13 0.23 0.00 0.00 176.35 177.90 2r2u s ARG 159 N 1.98 3.45 -0.10 1.70 0.52 -1.26 -0.49 118.95 124.74 2r2u s ARG 159 Ca 0.28 0.95 0.00 0.00 -0.52 0.00 0.00 55.73 56.45 2r2u s ARG 159 Cb -0.16 -2.06 -0.02 0.00 0.52 0.00 0.00 34.95 33.23 2r2u s ARG 159 CO 0.10 -0.69 -0.10 -0.51 0.02 0.00 0.00 175.30 174.12 2r2u s LEU 160 N -4.86 2.92 0.45 2.53 1.43 -0.32 -1.27 118.68 119.56 2r2u s LEU 160 Ca 0.59 -0.19 -0.25 0.00 -1.03 0.00 0.00 54.13 53.24 2r2u s LEU 160 Cb -0.13 -1.65 -0.08 0.00 0.03 0.00 0.00 46.19 44.37 2r2u s LEU 160 CO 0.45 0.25 1.41 -2.28 0.23 0.00 0.00 176.35 176.41 2r2u s HIS 161 N -0.14 2.49 0.57 0.29 5.65 0.68 -4.68 115.29 120.16 2r2u s HIS 161 Ca 0.00 1.28 0.28 0.00 0.25 0.00 0.00 55.06 56.87 2r2u s HIS 161 Cb -0.13 -3.89 1.53 0.00 -1.18 0.00 0.00 32.58 28.91 2r2u s HIS 161 CO 0.03 -2.84 2.01 -1.35 -0.65 0.00 0.00 174.74 171.94 2r2u h PRO 162 N 2.33 0.00 0.00 2.88 0.11 -1.95 0.58 132.00 135.95 2r2u h PRO 162 Ca -0.51 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 2r2u h PRO 162 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 2r2u h PRO 162 CO 0.61 0.00 -0.34 1.15 -0.21 0.00 0.00 178.00 179.21 2r2u h THR 163 N 0.00 0.78 0.00 -1.15 2.02 -1.94 -3.17 112.91 109.46 2r2u h THR 163 Ca 0.17 -1.46 0.00 0.00 0.77 0.00 0.00 66.41 65.89 2r2u h THR 163 Cb 0.83 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 69.16 2r2u h THR 163 CO -0.00 0.33 -1.24 -1.20 0.37 0.00 0.00 175.52 173.78 2r2u n SER 164 N -3.46 0.56 -0.13 4.18 7.64 0.13 -4.52 113.62 118.01 2r2u n SER 164 Ca 0.00 -0.30 -0.04 0.00 1.01 0.00 0.00 58.87 59.53 2r2u n SER 164 Cb 0.50 1.10 0.04 0.00 -1.01 0.00 0.00 64.21 64.84 2r2u n SER 164 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2r2u h GLN 165 N 0.00 0.25 -0.93 1.43 4.20 -1.35 -2.84 115.11 115.87 2r2u h GLN 165 Ca 0.00 -0.02 0.25 0.00 0.06 0.00 0.00 58.65 58.94 2r2u h GLN 165 Cb 0.75 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.42 2r2u h GLN 165 CO 0.00 0.17 0.64 -1.35 -0.67 0.00 0.00 178.83 177.62 2r2u h PRO 166 N 0.26 0.18 -0.99 1.46 0.11 -1.79 -2.55 132.00 128.67 2r2u h PRO 166 Ca 0.20 -0.01 0.24 0.00 0.11 0.00 0.00 66.00 66.54 2r2u h PRO 166 Cb 0.23 -0.04 -0.08 0.00 0.11 0.00 0.00 31.00 31.21 2r2u h PRO 166 CO -0.24 0.12 0.64 1.25 -0.21 0.00 0.00 178.00 179.56 2r2u h LEU 167 N 0.18 0.46 -3.44 2.35 5.85 -1.81 -2.69 115.31 116.22 2r2u h LEU 167 Ca 0.47 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.26 2r2u h LEU 167 Cb 1.54 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.55 2r2u h LEU 167 CO -0.10 0.14 0.00 0.49 -0.34 0.00 0.00 178.44 178.63 2r2u n PHE 168 N -4.59 1.75 -1.55 1.25 3.72 -0.96 -4.72 117.46 112.36 2r2u n PHE 168 Ca 0.23 -0.74 -0.35 0.00 -0.05 0.00 0.00 57.45 56.53 2r2u n PHE 168 Cb 0.78 -0.43 0.08 0.00 -0.94 0.00 0.00 39.48 38.98 2r2u n PHE 168 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2r2u s ALA 169 N -2.64 2.21 0.09 4.37 0.00 -1.01 -4.53 121.76 120.25 2r2u s ALA 169 Ca 0.51 0.99 -0.12 0.00 0.00 0.00 0.00 51.96 53.34 2r2u s ALA 169 Cb 0.39 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 20.03 2r2u s ALA 169 CO 0.16 -1.76 0.27 -0.59 0.00 0.00 0.00 175.76 173.84 2r2u s PHE 170 N -1.79 -0.00 0.09 0.00 -0.71 -0.15 -2.24 117.98 113.19 2r2u s PHE 170 Ca 0.77 -0.34 -0.23 0.00 -1.04 0.00 0.00 56.93 56.09 2r2u s PHE 170 Cb -0.32 0.06 -0.07 0.00 -1.21 0.00 0.00 43.02 41.49 2r2u s PHE 170 CO 0.43 -0.58 0.69 -2.00 -1.34 0.00 0.00 175.22 172.42 2r2u s GLU 171 N -3.60 4.41 -0.31 1.99 2.12 -1.26 -1.35 118.70 120.71 2r2u s GLU 171 Ca 0.02 0.96 -0.01 0.00 0.36 0.00 0.00 54.97 56.31 2r2u s GLU 171 Cb 0.03 -3.28 0.13 0.00 0.26 0.00 0.00 34.13 31.26 2r2u s GLU 171 CO -0.10 0.51 0.23 -0.46 -0.54 0.00 0.00 175.26 174.91 2r2u s TRP 172 N -0.81 0.02 -0.12 5.30 -0.11 0.54 -4.85 118.94 118.90 2r2u s TRP 172 Ca 0.34 -0.74 -0.03 0.00 1.22 0.00 0.00 56.10 56.89 2r2u s TRP 172 Cb -0.21 -0.68 -0.03 0.00 -1.50 0.00 0.00 33.47 31.05 2r2u s TRP 172 CO 0.22 -0.88 -0.02 1.03 -4.62 0.00 0.00 176.95 172.68 2r2u s ARG 173 N 1.94 3.35 -0.35 5.86 1.81 -1.26 -4.51 118.95 125.80 2r2u s ARG 173 Ca 0.12 -0.47 -0.09 0.00 -1.72 0.00 0.00 55.73 53.56 2r2u s ARG 173 Cb -0.16 -2.85 0.02 0.00 -0.45 0.00 0.00 34.95 31.51 2r2u s ARG 173 CO -0.25 0.45 0.16 0.34 -0.68 0.00 0.00 175.30 175.31 2r2u s ASP 174 N -0.19 5.52 0.18 0.23 -1.08 -1.26 -4.95 116.67 115.12 2r2u s ASP 174 Ca 0.04 -0.94 0.09 0.00 -0.52 0.00 0.00 52.55 51.22 2r2u s ASP 174 Cb -0.13 -1.96 0.48 0.00 -1.46 0.00 0.00 42.92 39.86 2r2u s ASP 174 CO 0.02 -0.32 1.18 -2.65 0.52 0.00 0.00 175.17 173.92 2r2u n PRO 175 N 4.93 0.06 -3.84 4.34 -0.02 -1.26 -0.07 135.00 139.13 2r2u n PRO 175 Ca -0.13 0.49 -0.30 0.00 -2.02 0.00 0.00 63.50 61.54 2r2u n PRO 175 Cb 0.46 -1.86 -0.11 0.00 -0.02 0.00 0.00 33.50 31.97 2r2u n PRO 175 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2r2u s GLU 176 N -3.10 2.58 -0.46 -0.52 8.01 -1.26 -4.80 118.70 119.14 2r2u s GLU 176 Ca -0.01 -3.21 -0.12 0.00 0.01 0.00 0.00 54.97 51.64 2r2u s GLU 176 Cb 0.03 -3.54 0.01 0.00 -4.31 0.00 0.00 34.13 26.32 2r2u s GLU 176 CO 0.08 -1.25 0.58 -0.12 0.01 0.00 0.00 175.26 174.55 2r2u n MET 177 N 2.25 -2.00 -2.99 1.61 0.00 -1.16 -4.95 117.12 109.88 2r2u n MET 177 Ca 0.18 1.88 -0.40 0.00 -0.00 0.00 0.00 57.70 59.36 2r2u n MET 177 Cb 0.35 -5.39 -0.04 0.00 0.00 0.00 0.00 33.22 28.13 2r2u n MET 177 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2r2u s GLY 178 N -2.58 2.69 0.28 -5.12 0.00 0.90 -4.72 107.32 98.77 2r2u s GLY 178 Ca 0.18 0.21 -0.30 0.00 0.00 0.00 0.00 44.72 44.81 2r2u s GLY 178 CO 0.71 1.23 1.50 4.51 0.00 0.00 0.00 173.10 181.05 2r2u n ILE 179 N 3.63 1.14 0.00 0.90 3.06 -1.26 -4.69 119.36 122.14 2r2u n ILE 179 Ca -0.00 -0.28 0.00 0.00 -2.50 0.00 0.00 62.75 59.96 2r2u n ILE 179 Cb 0.51 -1.76 0.00 0.00 0.54 0.00 0.00 39.64 38.93 2r2u n ILE 179 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 2r2u n SER 180 N 1.94 0.00 0.02 9.51 3.41 -1.26 -4.69 113.62 122.55 2r2u n SER 180 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2r2u n SER 180 Cb 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 2r2u n SER 180 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2r2u n GLY 181 N 0.00 -0.59 3.93 5.00 0.00 -1.26 -4.86 105.19 107.40 2r2u n GLY 181 Ca 0.00 0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 2r2u n GLY 181 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2r2u s GLN 182 N -1.12 3.52 0.04 1.61 -0.21 -1.26 -0.34 119.66 121.90 2r2u s GLN 182 Ca 0.00 -0.31 -0.00 0.00 0.02 0.00 0.00 55.36 55.07 2r2u s GLN 182 Cb 0.00 -2.73 -0.03 0.00 1.00 0.00 0.00 33.01 31.25 2r2u s GLN 182 CO 0.00 0.26 -0.03 -0.51 -2.12 0.00 0.00 175.29 172.89 2r2u s LEU 183 N -3.84 2.36 0.20 2.90 1.43 -0.46 -2.17 118.68 119.10 2r2u s LEU 183 Ca 0.40 -0.73 -0.08 0.00 -1.03 0.00 0.00 54.13 52.68 2r2u s LEU 183 Cb -0.10 0.12 -0.01 0.00 0.03 0.00 0.00 46.19 46.22 2r2u s LEU 183 CO 0.32 -0.43 0.31 0.28 0.23 0.00 0.00 176.35 177.06 2r2u s THR 184 N -2.58 0.03 0.21 5.49 -1.32 0.56 -0.98 115.64 117.05 2r2u s THR 184 Ca -0.05 -1.54 -0.21 0.00 -1.21 0.00 0.00 61.69 58.68 2r2u s THR 184 Cb -0.02 -2.11 -0.08 0.00 -1.51 0.00 0.00 72.50 68.78 2r2u s THR 184 CO -0.05 -0.14 0.73 0.26 -2.21 0.00 0.00 174.62 173.21 2r2u s TRP 185 N -4.03 3.70 -2.13 9.09 0.52 -1.26 -1.03 118.94 123.80 2r2u s TRP 185 Ca 0.24 1.44 0.18 0.00 0.02 0.00 0.00 56.10 57.97 2r2u s TRP 185 Cb 0.03 -2.65 0.17 0.00 -1.15 0.00 0.00 33.47 29.87 2r2u s TRP 185 CO 0.06 0.37 1.09 0.25 0.02 0.00 0.00 176.95 178.74 2r2u n THR 186 N 0.90 0.10 -4.40 2.01 -2.24 -0.42 -4.69 114.28 105.55 2r2u n THR 186 Ca -0.03 -0.55 -0.20 0.00 -2.27 0.00 0.00 64.05 61.00 2r2u n THR 186 Cb 0.51 1.28 -0.10 0.00 -2.10 0.00 0.00 70.33 69.91 2r2u n THR 186 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2r2u s ARG 187 N -1.42 1.50 0.12 -0.78 1.81 -1.26 -1.17 118.95 117.75 2r2u s ARG 187 Ca 0.22 -1.77 -0.31 0.00 -1.72 0.00 0.00 55.73 52.15 2r2u s ARG 187 Cb 0.15 -0.93 -0.11 0.00 -0.45 0.00 0.00 34.95 33.61 2r2u s ARG 187 CO 0.22 -0.04 1.85 -0.11 -0.68 0.00 0.00 175.30 176.54 2r2u n LEU 188 N -0.55 4.08 -4.95 2.53 7.94 0.36 -4.70 117.00 121.71 2r2u n LEU 188 Ca -0.05 0.98 -0.23 0.00 -1.11 0.00 0.00 56.01 55.60 2r2u n LEU 188 Cb 0.64 -1.55 0.01 0.00 0.53 0.00 0.00 43.42 43.05 2r2u n LEU 188 CO 0.39 0.19 0.28 -2.16 -1.11 0.00 0.00 177.39 174.99 2r2u s PRO 189 N 2.78 3.13 0.44 1.96 0.04 -1.26 -3.92 135.00 138.17 2r2u s PRO 189 Ca 0.82 -0.43 -0.21 0.00 0.04 0.00 0.00 61.00 61.22 2r2u s PRO 189 Cb -0.47 -2.56 -0.10 0.00 0.04 0.00 0.00 34.50 31.41 2r2u s PRO 189 CO 0.37 -0.23 0.97 -0.65 0.04 0.00 0.00 177.00 177.50 2r2u s GLN 190 N -4.55 4.13 0.00 4.56 -1.52 -1.26 -3.53 119.66 117.49 2r2u s GLN 190 Ca 0.47 1.17 0.00 0.00 -1.95 0.00 0.00 55.36 55.05 2r2u s GLN 190 Cb -0.10 -2.16 0.00 0.00 -0.22 0.00 0.00 33.01 30.53 2r2u s GLN 190 CO 0.38 -0.12 0.00 0.41 -0.25 0.00 0.00 175.29 175.71 2r2u n GLY 191 N -0.58 2.98 3.65 3.09 0.00 -1.26 -4.87 105.19 108.21 2r2u n GLY 191 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 2r2u n GLY 191 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2r2u s PHE 192 N -1.92 3.25 0.40 1.61 5.36 -1.23 -4.66 117.98 120.79 2r2u s PHE 192 Ca 0.00 1.36 0.21 0.00 -0.96 0.00 0.00 56.93 57.55 2r2u s PHE 192 Cb 0.00 -3.39 1.20 0.00 -0.34 0.00 0.00 43.02 40.49 2r2u s PHE 192 CO 0.00 -0.66 1.72 1.57 -1.46 0.00 0.00 175.22 176.38 2r2u h LYS 193 N 7.68 0.29 -0.01 10.12 2.10 -1.92 -1.54 116.57 133.29 2r2u h LYS 193 Ca -0.20 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.43 2r2u h LYS 193 Cb 1.06 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.33 2r2u h LYS 193 CO 0.99 0.19 -0.23 0.09 -2.00 0.00 0.00 179.45 178.49 2r2u n ASN 194 N -4.69 1.12 -0.03 7.07 3.02 -1.26 -4.47 115.26 116.02 2r2u n ASN 194 Ca 0.29 -0.98 -0.09 0.00 -0.03 0.00 0.00 54.58 53.78 2r2u n ASN 194 Cb 1.05 0.13 -0.02 0.00 -0.61 0.00 0.00 39.78 40.33 2r2u n ASN 194 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2r2u h SER 195 N 1.39 -0.65 -0.29 6.41 0.02 -1.57 0.39 113.55 119.24 2r2u h SER 195 Ca 0.00 0.12 0.07 0.00 -0.84 0.00 0.00 61.79 61.14 2r2u h SER 195 Cb 0.51 0.31 -0.08 0.00 0.14 0.00 0.00 62.40 63.29 2r2u h SER 195 CO 0.00 -0.25 -0.26 -0.65 -1.14 0.00 0.00 176.83 174.54 2r2u h PRO 196 N -0.23 -0.23 -0.19 3.45 0.11 -1.79 0.28 132.00 133.41 2r2u h PRO 196 Ca 0.12 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.24 2r2u h PRO 196 Cb 0.41 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 2r2u h PRO 196 CO -0.33 -0.15 0.08 1.15 -0.21 0.00 0.00 178.00 178.54 2r2u h THR 197 N -0.24 1.14 -0.60 -1.15 2.02 -1.81 -0.94 112.91 111.33 2r2u h THR 197 Ca 0.15 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 2r2u h THR 197 Cb 0.48 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 2r2u h THR 197 CO -0.43 0.14 0.33 -0.07 0.37 0.00 0.00 175.52 175.86 2r2u h LEU 198 N 0.16 0.73 -0.15 2.58 3.38 -0.40 -0.98 115.31 120.63 2r2u h LEU 198 Ca 0.06 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2r2u h LEU 198 Cb 0.14 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2r2u h LEU 198 CO -0.01 0.58 -0.10 0.15 0.09 0.00 0.00 178.44 179.15 2r2u h PHE 199 N 0.83 0.38 -0.53 1.13 3.57 -0.18 -1.81 116.94 120.33 2r2u h PHE 199 Ca 0.21 -0.10 0.08 0.00 3.53 0.00 0.00 57.97 61.68 2r2u h PHE 199 Cb 0.01 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.61 2r2u h PHE 199 CO 0.00 0.68 0.19 0.22 -2.23 0.00 0.00 178.31 177.18 2r2u h ASP 200 N -0.03 0.19 -0.28 0.41 3.58 -0.79 -0.63 116.42 118.87 2r2u h ASP 200 Ca 0.03 0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.51 2r2u h ASP 200 Cb 0.60 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.69 2r2u h ASP 200 CO 0.03 0.13 0.04 -0.33 -2.88 0.00 0.00 179.24 176.23 2r2u h GLU 201 N 0.37 0.46 -0.54 0.28 5.08 -1.18 -0.77 114.58 118.27 2r2u h GLU 201 Ca 0.26 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.52 2r2u h GLU 201 Cb 0.29 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 2r2u h GLU 201 CO -0.27 0.57 0.32 0.00 -1.00 0.00 0.00 179.01 178.64 2r2u h ALA 202 N 0.87 0.70 -0.31 3.43 0.00 -0.97 -1.19 119.26 121.78 2r2u h ALA 202 Ca 0.08 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2r2u h ALA 202 Cb 0.34 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2r2u h ALA 202 CO 0.01 0.04 -0.18 1.25 0.00 0.00 0.00 179.25 180.36 2r2u h LEU 203 N 0.64 0.57 -1.07 0.00 5.85 -1.04 -2.23 115.31 118.03 2r2u h LEU 203 Ca 0.22 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 2r2u h LEU 203 Cb 0.03 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 2r2u h LEU 203 CO -0.10 0.76 0.17 0.45 -0.34 0.00 0.00 178.44 179.38 2r2u h HIS 204 N 0.52 0.85 -0.51 1.25 3.86 -0.37 0.17 115.15 120.92 2r2u h HIS 204 Ca 0.08 -0.06 -0.10 0.00 -1.16 0.00 0.00 60.37 59.13 2r2u h HIS 204 Cb 0.60 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.80 2r2u h HIS 204 CO 0.02 0.69 -0.06 0.00 0.86 0.00 0.00 177.93 179.44 2r2u h ARG 205 N 0.81 0.91 0.00 2.45 3.08 -0.68 -2.40 114.38 118.55 2r2u h ARG 205 Ca 0.19 -0.30 -0.16 0.00 0.07 0.00 0.00 59.98 59.78 2r2u h ARG 205 Cb 0.24 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 2r2u h ARG 205 CO -0.01 0.94 -0.78 -0.44 -1.07 0.00 0.00 179.97 178.61 2r2u h ASP 206 N 0.83 0.00 -0.43 7.04 3.32 -0.92 -3.24 116.42 123.01 2r2u h ASP 206 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2r2u h ASP 206 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 2r2u h ASP 206 CO 0.04 0.78 0.00 0.18 -1.72 0.00 0.00 179.24 178.51 2r2u n LEU 207 N -3.51 2.75 0.05 1.55 4.77 0.00 -4.33 117.00 118.29 2r2u n LEU 207 Ca -0.00 -1.30 -0.13 0.00 -0.03 0.00 0.00 56.01 54.55 2r2u n LEU 207 Cb 0.78 -0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 41.50 2r2u n LEU 207 CO 0.44 0.65 0.74 0.00 -1.33 0.00 0.00 177.39 177.89 2r2u h ALA 208 N 4.11 -0.08 -0.70 -1.18 0.00 -1.46 -2.19 119.26 117.76 2r2u h ALA 208 Ca 0.00 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.84 2r2u h ALA 208 Cb 0.73 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 2r2u h ALA 208 CO 0.00 -0.44 0.41 0.22 0.00 0.00 0.00 179.25 179.45 2r2u h ASP 209 N -0.30 0.64 -0.74 0.00 3.58 -1.81 -1.82 116.42 115.97 2r2u h ASP 209 Ca -0.01 0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.51 2r2u h ASP 209 Cb 0.26 -0.11 -0.05 0.00 1.72 0.00 0.00 39.33 41.15 2r2u h ASP 209 CO 0.01 0.42 0.44 0.15 -2.88 0.00 0.00 179.24 177.38 2r2u h PHE 210 N 0.77 0.82 -0.84 0.28 3.04 -1.78 -1.43 116.94 117.80 2r2u h PHE 210 Ca 0.31 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.29 2r2u h PHE 210 Cb 0.14 -0.26 -0.04 0.00 2.56 0.00 0.00 35.95 38.35 2r2u h PHE 210 CO -0.06 0.42 0.56 0.00 -2.02 0.00 0.00 178.31 177.21 2r2u h ARG 211 N 0.83 1.11 0.00 1.11 3.08 -0.69 -1.72 114.38 118.09 2r2u h ARG 211 Ca 0.32 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 60.18 2r2u h ARG 211 Cb 0.13 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 2r2u h ARG 211 CO -0.16 0.73 -0.58 0.82 -1.07 0.00 0.00 179.97 179.71 2r2u h ILE 212 N 1.14 1.37 0.00 2.04 2.04 -0.74 -3.02 117.51 120.33 2r2u h ILE 212 Ca 0.31 -2.04 0.00 0.00 1.00 0.00 0.00 64.86 64.13 2r2u h ILE 212 Cb -0.13 2.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 2r2u h ILE 212 CO -0.07 0.57 -0.16 1.56 0.00 0.00 0.00 178.15 180.06 2r2u h GLN 213 N 0.00 0.00 -2.10 2.37 1.08 -0.61 -3.37 115.11 112.48 2r2u h GLN 213 Ca -0.01 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.62 2r2u h GLN 213 Cb 1.07 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 28.10 2r2u h GLN 213 CO 0.08 0.00 -0.94 0.72 -0.95 0.00 0.00 178.83 177.73 2r2u n HIS 214 N -2.74 0.83 0.27 2.96 8.25 -0.71 -4.93 115.22 119.16 2r2u n HIS 214 Ca 0.04 -3.73 0.14 0.00 -0.26 0.00 0.00 57.72 53.91 2r2u n HIS 214 Cb 0.50 -0.38 0.76 0.00 1.12 0.00 0.00 29.99 31.98 2r2u n HIS 214 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2r2u h PRO 215 N 4.16 0.00 0.00 -0.41 0.11 -1.73 -2.01 132.00 132.12 2r2u h PRO 215 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2r2u h PRO 215 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2r2u h PRO 215 CO 0.57 0.10 0.00 -0.25 -0.21 0.00 0.00 178.00 178.21 2r2u n ASP 216 N -3.51 0.00 -4.83 -2.05 10.43 -1.26 -4.81 116.55 110.52 2r2u n ASP 216 Ca -0.02 -0.20 -0.30 0.00 2.57 0.00 0.00 54.79 56.84 2r2u n ASP 216 Cb 0.24 -0.26 -0.05 0.00 1.84 0.00 0.00 41.12 42.88 2r2u n ASP 216 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2r2u s LEU 217 N -2.52 3.98 -0.25 0.64 1.43 -0.76 -4.78 118.68 116.42 2r2u s LEU 217 Ca 0.29 0.06 -0.03 0.00 -1.03 0.00 0.00 54.13 53.42 2r2u s LEU 217 Cb 0.20 -2.63 0.01 0.00 0.03 0.00 0.00 46.19 43.81 2r2u s LEU 217 CO 0.44 0.15 -0.02 -0.63 0.23 0.00 0.00 176.35 176.52 2r2u s ILE 218 N -1.48 3.26 -0.18 -0.59 -1.09 0.15 -4.98 121.20 116.29 2r2u s ILE 218 Ca 0.31 -0.81 0.00 0.00 -2.23 0.00 0.00 60.65 57.92 2r2u s ILE 218 Cb -0.12 -2.62 0.02 0.00 -1.58 0.00 0.00 42.46 38.15 2r2u s ILE 218 CO 0.24 0.22 -0.18 -0.22 -1.23 0.00 0.00 174.94 173.77 2r2u s LEU 219 N 1.41 2.22 -0.15 2.97 2.96 -1.26 0.41 118.68 127.23 2r2u s LEU 219 Ca 0.02 -0.62 -0.06 0.00 -0.22 0.00 0.00 54.13 53.25 2r2u s LEU 219 Cb -0.16 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 2r2u s LEU 219 CO -0.03 -0.00 0.06 -0.76 -1.32 0.00 0.00 176.35 174.30 2r2u s LEU 220 N 1.31 3.83 -0.15 -0.68 1.02 -0.17 -4.99 118.68 118.86 2r2u s LEU 220 Ca 0.05 0.15 0.02 0.00 0.02 0.00 0.00 54.13 54.37 2r2u s LEU 220 Cb -0.13 -1.94 0.02 0.00 0.02 0.00 0.00 46.19 44.15 2r2u s LEU 220 CO -0.12 0.26 -0.20 -1.10 0.02 0.00 0.00 176.35 175.21 2r2u s GLN 221 N -0.12 2.86 -0.49 1.70 -0.21 -1.26 -1.95 119.66 120.19 2r2u s GLN 221 Ca 0.07 -0.79 0.03 0.00 0.02 0.00 0.00 55.36 54.69 2r2u s GLN 221 Cb -0.12 -2.39 0.14 0.00 1.00 0.00 0.00 33.01 31.64 2r2u s GLN 221 CO 0.01 -0.11 0.28 -0.47 -2.12 0.00 0.00 175.29 172.88 2r2u s TYR 222 N 1.06 2.38 0.00 0.91 5.04 -0.57 -4.87 117.35 121.30 2r2u s TYR 222 Ca -0.02 -2.69 0.00 0.00 -2.44 0.00 0.00 57.07 51.92 2r2u s TYR 222 Cb -0.14 -2.14 0.00 0.00 0.35 0.00 0.00 41.96 40.03 2r2u s TYR 222 CO -0.07 -0.75 0.00 0.28 -1.34 0.00 0.00 175.55 173.68 2r2u n VAL 223 N 3.23 0.00 1.05 3.14 0.31 -1.26 -0.39 118.33 124.41 2r2u n VAL 223 Ca 0.10 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.55 2r2u n VAL 223 Cb 0.35 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.34 2r2u n VAL 223 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2r2u n ASP 224 N 7.97 1.82 -4.57 4.52 5.75 -1.26 -4.69 116.55 126.09 2r2u n ASP 224 Ca 0.00 -1.39 -0.40 0.00 -0.01 0.00 0.00 54.79 52.99 2r2u n ASP 224 Cb 0.00 0.43 -0.08 0.00 -1.03 0.00 0.00 41.12 40.44 2r2u n ASP 224 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2r2u s ASP 225 N -2.50 6.29 0.01 -1.12 1.01 0.48 -0.77 116.67 120.06 2r2u s ASP 225 Ca 0.19 0.08 0.04 0.00 0.71 0.00 0.00 52.55 53.57 2r2u s ASP 225 Cb 0.18 -2.24 -0.03 0.00 1.01 0.00 0.00 42.92 41.84 2r2u s ASP 225 CO 0.57 -0.36 -0.07 -0.76 0.21 0.00 0.00 175.17 174.76 2r2u s LEU 226 N 2.23 3.13 -0.09 1.23 1.43 0.12 -1.51 118.68 125.23 2r2u s LEU 226 Ca 0.17 -0.17 -0.02 0.00 -1.03 0.00 0.00 54.13 53.08 2r2u s LEU 226 Cb -0.16 -1.80 0.03 0.00 0.03 0.00 0.00 46.19 44.29 2r2u s LEU 226 CO 0.12 0.28 0.01 -0.22 0.23 0.00 0.00 176.35 176.76 2r2u s LEU 227 N -1.44 0.63 -0.23 1.79 2.96 -0.82 -0.93 118.68 120.64 2r2u s LEU 227 Ca 0.17 -0.18 -0.06 0.00 -0.22 0.00 0.00 54.13 53.85 2r2u s LEU 227 Cb -0.11 -0.44 -0.02 0.00 0.50 0.00 0.00 46.19 46.12 2r2u s LEU 227 CO 0.08 -0.21 0.02 -0.22 -1.32 0.00 0.00 176.35 174.70 2r2u s LEU 228 N 1.97 3.24 -0.20 -0.68 2.96 0.79 -1.00 118.68 125.76 2r2u s LEU 228 Ca 0.04 -0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 53.68 2r2u s LEU 228 Cb -0.13 -1.85 0.01 0.00 0.50 0.00 0.00 46.19 44.72 2r2u s LEU 228 CO -0.06 -0.01 -0.13 0.00 -1.32 0.00 0.00 176.35 174.83 2r2u s ALA 229 N 1.47 2.54 0.00 5.97 0.00 0.17 -1.11 121.76 130.80 2r2u s ALA 229 Ca 0.05 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.80 2r2u s ALA 229 Cb -0.15 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.56 2r2u s ALA 229 CO 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 175.76 175.36 2r2u n ALA 230 N 4.69 0.00 0.00 0.00 0.00 0.27 -0.67 120.51 124.80 2r2u n ALA 230 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2r2u n ALA 230 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2r2u n ALA 230 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2r2u n THR 231 N 0.00 0.00 -4.02 0.00 5.66 -1.26 -3.22 114.28 111.45 2r2u n THR 231 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 2r2u n THR 231 Cb 0.00 -0.63 -0.12 0.00 -1.55 0.00 0.00 70.33 68.03 2r2u n THR 231 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2r2u s SER 232 N -2.55 0.48 0.60 1.09 1.04 -1.26 -4.43 113.70 108.67 2r2u s SER 232 Ca 0.00 -0.41 0.28 0.00 0.48 0.00 0.00 55.95 56.30 2r2u s SER 232 Cb 0.00 0.04 1.07 0.00 0.10 0.00 0.00 66.02 67.23 2r2u s SER 232 CO 0.00 -0.19 1.45 -0.08 0.98 0.00 0.00 173.24 175.40 2r2u h GLU 233 N 4.93 0.00 0.11 4.02 4.81 -1.97 0.92 114.58 127.40 2r2u h GLU 233 Ca -0.32 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.91 2r2u h GLU 233 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 2r2u h GLU 233 CO 0.43 0.00 -0.05 1.25 -0.73 0.00 0.00 179.01 179.91 2r2u h LEU 234 N 0.00 -0.13 -1.87 1.64 5.85 -1.99 -2.35 115.31 116.46 2r2u h LEU 234 Ca 0.43 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.76 2r2u h LEU 234 Cb 2.53 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 43.59 2r2u h LEU 234 CO -0.00 0.49 0.10 0.44 -0.34 0.00 0.00 178.44 179.13 2r2u h ASP 235 N -0.91 0.15 0.02 1.25 3.32 -1.27 -0.70 116.42 118.28 2r2u h ASP 235 Ca -0.02 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 2r2u h ASP 235 Cb 0.52 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2r2u h ASP 235 CO 0.03 0.10 -0.01 0.00 -1.72 0.00 0.00 179.24 177.64 2r2u h GLN 237 N -0.52 0.01 0.16 0.00 4.20 -0.96 0.66 115.11 118.66 2r2u h GLN 237 Ca -0.00 -0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.40 2r2u h GLN 237 Cb 0.49 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.28 2r2u h GLN 237 CO 0.01 0.19 -1.39 1.96 -0.67 0.00 0.00 178.83 178.92 2r2u h GLN 238 N 0.01 0.33 -0.04 1.46 4.20 -1.08 -2.78 115.11 117.22 2r2u h GLN 238 Ca 0.00 -0.57 -0.24 0.00 0.06 0.00 0.00 58.65 57.90 2r2u h GLN 238 Cb 0.32 0.21 0.01 0.00 0.30 0.00 0.00 27.48 28.32 2r2u h GLN 238 CO 0.02 1.25 -0.92 0.78 -0.67 0.00 0.00 178.83 179.29 2r2u h GLY 239 N 1.25 0.67 0.75 3.46 0.00 0.48 -2.82 103.07 106.87 2r2u h GLY 239 Ca -0.20 -1.09 -0.00 0.00 0.00 0.00 0.00 47.33 46.04 2r2u h GLY 239 CO 0.21 0.97 -0.02 -0.84 0.00 0.00 0.00 176.54 176.86 2r2u h THR 240 N 0.37 1.14 -0.68 4.70 2.02 0.21 0.19 112.91 120.85 2r2u h THR 240 Ca -0.09 -0.56 0.06 0.00 0.77 0.00 0.00 66.41 66.60 2r2u h THR 240 Cb 1.55 1.51 -0.04 0.00 -1.74 0.00 0.00 68.15 69.43 2r2u h THR 240 CO 0.17 0.14 0.45 0.03 0.37 0.00 0.00 175.52 176.68 2r2u h ARG 241 N -0.30 0.67 -0.12 6.66 3.08 -1.58 0.36 114.38 123.16 2r2u h ARG 241 Ca -0.01 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 2r2u h ARG 241 Cb 0.27 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 2r2u h ARG 241 CO 0.01 0.44 -0.12 0.00 -1.07 0.00 0.00 179.97 179.23 2r2u h ALA 242 N 1.63 0.18 -0.52 0.04 0.00 -1.22 -1.29 119.26 118.09 2r2u h ALA 242 Ca 0.29 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2r2u h ALA 242 Cb 0.28 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2r2u h ALA 242 CO -0.09 0.04 0.27 1.25 0.00 0.00 0.00 179.25 180.71 2r2u h LEU 243 N -0.10 0.66 0.06 0.00 5.85 0.41 0.20 115.31 122.39 2r2u h LEU 243 Ca 0.02 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 2r2u h LEU 243 Cb 0.65 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.51 2r2u h LEU 243 CO 0.03 0.58 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.61 2r2u h LEU 244 N 0.69 -0.06 -1.15 2.25 3.38 -0.33 0.27 115.31 120.36 2r2u h LEU 244 Ca 0.18 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.09 2r2u h LEU 244 Cb 0.08 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 2r2u h LEU 244 CO -0.03 0.07 0.58 -0.61 0.09 0.00 0.00 178.44 178.55 2r2u h GLN 245 N -0.20 1.04 -0.09 1.13 5.75 -1.00 0.48 115.11 122.21 2r2u h GLN 245 Ca -0.01 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.38 2r2u h GLN 245 Cb 0.17 -0.23 -0.00 0.00 1.07 0.00 0.00 27.48 28.49 2r2u h GLN 245 CO 0.01 0.68 -0.12 1.15 -2.65 0.00 0.00 178.83 177.90 2r2u h THR 246 N 1.07 1.38 -0.17 2.39 2.02 -0.26 -2.12 112.91 117.22 2r2u h THR 246 Ca 0.37 -1.34 0.01 0.00 0.77 0.00 0.00 66.41 66.22 2r2u h THR 246 Cb 0.11 2.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 2r2u h THR 246 CO -0.12 0.38 0.08 -0.07 0.37 0.00 0.00 175.52 176.16 2r2u h LEU 247 N -0.19 0.13 -1.03 2.58 3.38 0.06 -1.44 115.31 118.80 2r2u h LEU 247 Ca 0.01 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2r2u h LEU 247 Cb 0.67 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 2r2u h LEU 247 CO 0.03 0.10 0.22 1.23 0.09 0.00 0.00 178.44 180.10 2r2u h GLY 248 N 0.18 0.98 1.57 0.83 0.00 -0.99 -1.68 103.07 103.96 2r2u h GLY 248 Ca 0.07 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 46.81 2r2u h GLY 248 CO -0.04 0.50 -0.07 -0.57 0.00 0.00 0.00 176.54 176.35 2r2u h ASN 249 N 0.89 0.50 1.42 0.19 -0.73 -1.03 -2.54 115.58 114.28 2r2u h ASN 249 Ca 0.21 -0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.26 2r2u h ASN 249 Cb 0.22 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 38.68 2r2u h ASN 249 CO -0.01 0.63 -0.06 0.18 -0.37 0.00 0.00 177.43 177.79 2r2u n LEU 250 N -4.23 0.81 0.00 0.34 4.77 -0.57 -4.93 117.00 113.19 2r2u n LEU 250 Ca 0.01 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 2r2u n LEU 250 Cb 0.29 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2r2u n LEU 250 CO 0.40 -0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 2r2u n GLY 251 N 1.31 0.82 3.93 -0.72 0.00 -0.96 -2.17 105.19 107.41 2r2u n GLY 251 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 2r2u n GLY 251 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2r2u s TYR 252 N -2.00 3.18 -0.02 1.61 2.02 -0.67 0.13 117.35 121.60 2r2u s TYR 252 Ca 0.00 0.48 0.00 0.00 -0.37 0.00 0.00 57.07 57.19 2r2u s TYR 252 Cb 0.00 -2.69 0.02 0.00 -0.40 0.00 0.00 41.96 38.90 2r2u s TYR 252 CO 0.00 -0.78 0.01 1.03 -1.57 0.00 0.00 175.55 174.24 2r2u s ARG 253 N -4.90 0.17 0.11 -0.62 1.81 -1.26 -4.07 118.95 110.20 2r2u s ARG 253 Ca 0.53 0.09 0.02 0.00 -1.72 0.00 0.00 55.73 54.66 2r2u s ARG 253 Cb -0.10 -0.36 -0.04 0.00 -0.45 0.00 0.00 34.95 34.00 2r2u s ARG 253 CO 0.43 -0.12 0.20 0.00 -0.68 0.00 0.00 175.30 175.13 2r2u s ALA 254 N 0.89 3.85 -0.47 2.13 0.00 0.25 -0.04 121.76 128.37 2r2u s ALA 254 Ca -0.08 -0.99 -0.28 0.00 0.00 0.00 0.00 51.96 50.60 2r2u s ALA 254 Cb -0.12 -1.67 0.03 0.00 0.00 0.00 0.00 23.12 21.36 2r2u s ALA 254 CO -0.02 0.66 1.09 0.45 0.00 0.00 0.00 175.76 177.95 2r2u s SER 255 N -2.83 6.60 0.34 0.00 0.15 -0.94 -0.80 113.70 116.21 2r2u s SER 255 Ca 0.33 0.39 0.06 0.00 0.70 0.00 0.00 55.95 57.43 2r2u s SER 255 Cb -0.12 -2.53 0.61 0.00 -1.71 0.00 0.00 66.02 62.27 2r2u s SER 255 CO 0.26 -1.21 1.83 0.00 1.20 0.00 0.00 173.24 175.32 2r2u h ALA 256 N 9.19 1.32 0.07 5.45 0.00 -1.94 -2.45 119.26 130.90 2r2u h ALA 256 Ca -0.23 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 2r2u h ALA 256 Cb 1.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2r2u h ALA 256 CO 1.11 0.46 -0.03 -0.22 0.00 0.00 0.00 179.25 180.56 2r2u h LYS 257 N 0.32 -0.09 -0.12 0.00 3.64 -2.00 -3.06 116.57 115.25 2r2u h LYS 257 Ca 0.06 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2r2u h LYS 257 Cb 0.51 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2r2u h LYS 257 CO 0.03 0.03 0.00 1.63 -2.27 0.00 0.00 179.45 178.87 2r2u n LYS 258 N -5.08 1.63 -1.88 1.90 5.02 -1.19 -4.94 118.16 113.62 2r2u n LYS 258 Ca -0.08 -0.94 -0.42 0.00 -2.02 0.00 0.00 58.31 54.85 2r2u n LYS 258 Cb 0.10 -1.40 -0.03 0.00 -0.02 0.00 0.00 35.03 33.69 2r2u n LYS 258 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2r2u s ALA 259 N -1.85 3.79 -0.59 7.82 0.00 -0.93 -4.91 121.76 125.10 2r2u s ALA 259 Ca 0.33 1.44 0.03 0.00 0.00 0.00 0.00 51.96 53.76 2r2u s ALA 259 Cb 0.18 -3.63 0.15 0.00 0.00 0.00 0.00 23.12 19.81 2r2u s ALA 259 CO 0.27 -0.83 0.35 -0.65 0.00 0.00 0.00 175.76 174.90 2r2u s GLN 260 N 0.69 2.22 0.13 0.00 -0.21 -0.99 -5.03 119.66 116.48 2r2u s GLN 260 Ca 0.69 -2.77 -0.16 0.00 0.02 0.00 0.00 55.36 53.13 2r2u s GLN 260 Cb -0.45 -3.44 -0.07 0.00 1.00 0.00 0.00 33.01 30.05 2r2u s GLN 260 CO 0.35 -1.16 0.57 0.42 -2.12 0.00 0.00 175.29 173.36 2r2u s ILE 261 N -0.51 4.79 -0.33 1.08 1.01 -1.26 -0.78 121.20 125.20 2r2u s ILE 261 Ca 0.19 1.00 -0.02 0.00 0.00 0.00 0.00 60.65 61.82 2r2u s ILE 261 Cb -0.21 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.47 2r2u s ILE 261 CO -0.04 0.33 0.25 0.00 0.00 0.00 0.00 174.94 175.49 2r2u s GLN 263 N -3.04 1.85 0.00 0.00 -1.52 0.62 -4.89 119.66 112.67 2r2u s GLN 263 Ca 0.02 -2.06 0.06 0.00 -1.95 0.00 0.00 55.36 51.42 2r2u s GLN 263 Cb -0.00 -1.24 0.15 0.00 -0.22 0.00 0.00 33.01 31.70 2r2u s GLN 263 CO 0.38 -0.16 1.10 1.63 -0.25 0.00 0.00 175.29 177.99 2r2u n LYS 264 N -0.88 2.74 -3.24 2.91 5.02 -1.26 0.10 118.16 123.55 2r2u n LYS 264 Ca -0.05 -1.73 -0.03 0.00 -2.02 0.00 0.00 58.31 54.48 2r2u n LYS 264 Cb 0.67 -1.14 -0.04 0.00 -0.02 0.00 0.00 35.03 34.50 2r2u n LYS 264 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2r2u s GLN 265 N -0.97 0.47 0.29 1.97 0.74 -1.26 -4.19 119.66 116.72 2r2u s GLN 265 Ca 0.12 0.45 0.05 0.00 0.05 0.00 0.00 55.36 56.03 2r2u s GLN 265 Cb 0.06 -0.04 -0.06 0.00 1.10 0.00 0.00 33.01 34.07 2r2u s GLN 265 CO 0.08 -0.91 0.00 0.14 -0.55 0.00 0.00 175.29 174.05 2r2u s VAL 266 N 2.67 1.36 -0.35 1.34 -7.23 -1.20 -4.98 120.40 112.01 2r2u s VAL 266 Ca 0.12 -2.05 -0.05 0.00 -1.81 0.00 0.00 61.98 58.19 2r2u s VAL 266 Cb -0.13 -2.59 0.06 0.00 0.56 0.00 0.00 36.38 34.28 2r2u s VAL 266 CO -0.25 -0.17 0.11 -0.54 -0.31 0.00 0.00 175.10 173.93 2r2u s LYS 267 N -3.82 2.46 -0.04 4.82 1.02 -1.26 -1.78 119.74 121.15 2r2u s LYS 267 Ca 0.32 -1.34 0.03 0.00 0.02 0.00 0.00 55.97 55.01 2r2u s LYS 267 Cb 0.06 -3.43 0.00 0.00 -0.52 0.00 0.00 37.83 33.95 2r2u s LYS 267 CO 0.13 -0.75 -0.12 -0.47 -0.92 0.00 0.00 175.35 173.22 2r2u s TYR 268 N 1.32 1.30 -1.08 3.18 5.04 -0.87 -4.82 117.35 121.43 2r2u s TYR 268 Ca -0.01 -0.39 -0.08 0.00 -2.44 0.00 0.00 57.07 54.16 2r2u s TYR 268 Cb -0.20 -0.92 0.07 0.00 0.35 0.00 0.00 41.96 41.25 2r2u s TYR 268 CO 0.00 -0.17 0.34 1.28 -1.34 0.00 0.00 175.55 175.67 2r2u n LEU 269 N 3.40 -1.09 0.00 6.97 4.77 -1.26 -1.23 117.00 128.56 2r2u n LEU 269 Ca -0.20 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 2r2u n LEU 269 Cb 0.53 -1.83 0.00 0.00 -2.33 0.00 0.00 43.42 39.79 2r2u n LEU 269 CO 0.25 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 2r2u n GLY 270 N -0.97 2.63 3.78 -0.72 0.00 -1.26 -5.03 105.19 103.62 2r2u n GLY 270 Ca -0.01 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 2r2u n GLY 270 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2r2u s TYR 271 N -0.75 2.67 -0.24 1.61 1.51 -0.36 -5.05 117.35 116.74 2r2u s TYR 271 Ca 0.00 1.13 0.01 0.00 -1.01 0.00 0.00 57.07 57.20 2r2u s TYR 271 Cb 0.00 -3.17 0.04 0.00 -0.11 0.00 0.00 41.96 38.72 2r2u s TYR 271 CO 0.00 -2.00 -0.11 -1.17 -1.11 0.00 0.00 175.55 171.16 2r2u s LEU 272 N -5.92 3.01 -0.82 -1.29 2.96 -1.26 -2.04 118.68 113.33 2r2u s LEU 272 Ca 0.62 -1.01 -0.16 0.00 -0.22 0.00 0.00 54.13 53.36 2r2u s LEU 272 Cb -0.15 -1.58 0.17 0.00 0.50 0.00 0.00 46.19 45.13 2r2u s LEU 272 CO 0.55 -0.12 0.86 -0.76 -1.32 0.00 0.00 176.35 175.56 2r2u s LEU 273 N 1.23 6.01 -0.16 -0.68 1.02 -0.73 -3.93 118.68 121.44 2r2u s LEU 273 Ca -0.02 -2.27 0.01 0.00 0.02 0.00 0.00 54.13 51.87 2r2u s LEU 273 Cb -0.17 -2.28 0.02 0.00 0.02 0.00 0.00 46.19 43.77 2r2u s LEU 273 CO -0.07 -0.82 -0.20 -0.75 0.02 0.00 0.00 176.35 174.53 2r2u s LYS 274 N 1.37 2.92 -1.84 1.70 2.20 -1.26 -3.25 119.74 121.58 2r2u s LYS 274 Ca 0.21 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 55.01 2r2u s LYS 274 Cb -0.11 -2.47 0.00 0.00 -1.51 0.00 0.00 37.83 33.74 2r2u s LYS 274 CO -0.06 -0.15 0.00 0.39 -0.36 0.00 0.00 175.35 175.17 2r2u n GLU 275 N 4.45 -1.54 -3.34 4.03 1.02 -1.26 -3.05 120.64 120.95 2r2u n GLU 275 Ca -0.20 1.03 -0.12 0.00 -0.02 0.00 0.00 57.16 57.85 2r2u n GLU 275 Cb 0.51 -5.47 0.00 0.00 -0.02 0.00 0.00 31.44 26.46 2r2u n GLU 275 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2r2u n GLY 276 N -0.54 -1.19 1.13 0.62 0.00 -1.26 -4.97 105.19 98.98 2r2u n GLY 276 Ca -0.20 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.46 2r2u n GLY 276 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2r2u n GLN 277 N -1.86 0.00 0.00 1.61 1.13 -1.17 -5.04 117.38 112.05 2r2u n GLN 277 Ca -0.11 0.00 0.16 0.00 -1.94 0.00 0.00 57.00 55.11 2r2u n GLN 277 Cb 0.58 -0.44 0.95 0.00 0.11 0.00 0.00 30.24 31.44 2r2u n GLN 277 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16