#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k2u s ILE 17 N 0.00 3.25 -0.34 1.39 -4.36 -0.79 -4.29 121.20 116.05 3k2u s ILE 17 Ca 0.00 -0.55 -0.01 0.00 -0.26 0.00 0.00 60.65 59.83 3k2u s ILE 17 Cb 0.00 -3.22 0.01 0.00 1.25 0.00 0.00 42.46 40.50 3k2u s ILE 17 CO 0.00 -0.16 0.03 0.61 0.24 0.00 0.00 174.94 175.66 3k2u n GLY 18 N -2.27 -0.50 0.00 6.27 0.00 -1.24 -2.86 105.19 104.59 3k2u n GLY 18 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3k2u n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k2u n GLY 19 N -0.61 2.94 3.63 -0.02 0.00 -1.26 -4.43 105.19 105.44 3k2u n GLY 19 Ca -0.03 -1.91 -0.12 0.00 0.00 0.00 0.00 46.02 43.96 3k2u n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k2u s SER 20 N -0.44 -0.70 -0.14 1.61 1.04 0.23 -4.94 113.70 110.35 3k2u s SER 20 Ca 0.00 1.33 -0.39 0.00 0.48 0.00 0.00 55.95 57.36 3k2u s SER 20 Cb 0.00 1.34 -0.17 0.00 0.10 0.00 0.00 66.02 67.29 3k2u s SER 20 CO 0.00 -0.23 1.55 -1.54 0.98 0.00 0.00 173.24 174.00 3k2u n SER 21 N 2.77 1.91 -4.89 7.02 3.41 -1.26 -1.74 113.62 120.84 3k2u n SER 21 Ca -0.14 1.10 -0.30 0.00 -0.26 0.00 0.00 58.87 59.27 3k2u n SER 21 Cb 0.56 -1.13 -0.04 0.00 -0.26 0.00 0.00 64.21 63.34 3k2u n SER 21 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3k2u s SER 22 N 2.17 6.50 0.35 4.04 0.01 -0.29 -4.84 113.70 121.64 3k2u s SER 22 Ca 0.93 0.87 -0.16 0.00 1.31 0.00 0.00 55.95 58.91 3k2u s SER 22 Cb -1.06 -2.21 -0.09 0.00 0.21 0.00 0.00 66.02 62.87 3k2u s SER 22 CO 0.59 -0.24 0.78 -0.76 0.41 0.00 0.00 173.24 174.02 3k2u s LEU 23 N -3.53 4.02 0.01 2.44 1.43 -1.26 -4.86 118.68 116.93 3k2u s LEU 23 Ca 0.47 1.35 -0.32 0.00 -1.03 0.00 0.00 54.13 54.59 3k2u s LEU 23 Cb -0.11 -4.17 -0.11 0.00 0.03 0.00 0.00 46.19 41.84 3k2u s LEU 23 CO 0.29 -0.25 1.87 -2.65 0.23 0.00 0.00 176.35 175.83 3k2u n PRO 24 N -0.50 2.48 -1.04 1.29 -0.02 -1.26 -2.00 135.00 133.96 3k2u n PRO 24 Ca 0.04 0.91 -0.01 0.00 -2.02 0.00 0.00 63.50 62.42 3k2u n PRO 24 Cb 0.53 -2.78 -0.01 0.00 -0.02 0.00 0.00 33.50 31.22 3k2u n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k2u n GLY 25 N 4.31 0.51 0.23 -1.23 0.00 -1.26 -4.92 105.19 102.82 3k2u n GLY 25 Ca 0.20 -0.43 -0.06 0.00 0.00 0.00 0.00 46.02 45.73 3k2u n GLY 25 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3k2u h SER 26 N 0.00 0.61 -3.22 1.61 0.02 -1.76 -3.27 113.55 107.53 3k2u h SER 26 Ca -0.03 -0.01 -0.64 0.00 -0.84 0.00 0.00 61.79 60.28 3k2u h SER 26 Cb 0.15 -0.14 -0.41 0.00 0.14 0.00 0.00 62.40 62.14 3k2u h SER 26 CO 0.04 0.44 -0.48 -1.00 -1.14 0.00 0.00 176.83 174.69 3k2u s HIS 27 N -6.15 3.62 -1.67 3.45 3.76 -1.26 -4.93 115.29 112.12 3k2u s HIS 27 Ca -0.13 -3.27 0.13 0.00 -0.15 0.00 0.00 55.06 51.64 3k2u s HIS 27 Cb 0.13 -2.83 0.69 0.00 1.11 0.00 0.00 32.58 31.68 3k2u s HIS 27 CO 0.75 -0.59 1.27 -0.35 -0.85 0.00 0.00 174.74 174.96 3k2u n PRO 28 N 2.10 0.27 -0.00 8.40 -0.04 -1.24 -1.97 135.00 142.53 3k2u n PRO 28 Ca 0.19 0.10 0.10 0.00 -0.04 0.00 0.00 63.50 63.85 3k2u n PRO 28 Cb 0.35 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.21 3k2u n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3k2u n TRP 29 N -1.17 0.00 -2.02 0.54 2.14 -1.15 -1.06 117.44 114.74 3k2u n TRP 29 Ca 0.08 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.22 3k2u n TRP 29 Cb 0.08 -0.06 -0.03 0.00 -0.81 0.00 0.00 31.31 30.49 3k2u n TRP 29 CO 0.00 0.00 0.00 -1.17 2.07 0.00 0.00 177.69 178.59 3k2u s LEU 30 N -3.15 4.35 -0.06 5.67 2.96 -0.83 -1.42 118.68 126.19 3k2u s LEU 30 Ca 0.07 2.35 -0.02 0.00 -0.22 0.00 0.00 54.13 56.31 3k2u s LEU 30 Cb 0.16 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.25 3k2u s LEU 30 CO 0.87 -0.85 0.04 0.00 -1.32 0.00 0.00 176.35 175.09 3k2u s ALA 31 N 2.78 3.45 -0.27 5.97 0.00 0.79 -4.39 121.76 130.08 3k2u s ALA 31 Ca 0.71 -0.81 -0.09 0.00 0.00 0.00 0.00 51.96 51.77 3k2u s ALA 31 Cb -0.37 -1.56 -0.03 0.00 0.00 0.00 0.00 23.12 21.16 3k2u s ALA 31 CO 0.30 0.63 0.13 0.00 0.00 0.00 0.00 175.76 176.82 3k2u s ALA 32 N -1.01 3.31 -0.31 0.00 0.00 -0.79 -0.48 121.76 122.48 3k2u s ALA 32 Ca 0.17 -1.18 -0.04 0.00 0.00 0.00 0.00 51.96 50.91 3k2u s ALA 32 Cb -0.12 -2.28 0.04 0.00 0.00 0.00 0.00 23.12 20.77 3k2u s ALA 32 CO 0.06 -0.61 0.04 0.42 0.00 0.00 0.00 175.76 175.67 3k2u s ILE 33 N 1.66 3.33 -0.44 0.00 1.01 0.59 -0.33 121.20 127.02 3k2u s ILE 33 Ca 0.06 -1.24 -0.16 0.00 0.00 0.00 0.00 60.65 59.31 3k2u s ILE 33 Cb -0.16 -2.89 0.04 0.00 0.01 0.00 0.00 42.46 39.46 3k2u s ILE 33 CO 0.07 -0.11 0.40 -0.31 0.00 0.00 0.00 174.94 174.98 3k2u s TYR 34 N 1.32 3.20 -0.48 3.97 2.02 -0.22 -1.12 117.35 126.04 3k2u s TYR 34 Ca -0.03 -0.59 -0.05 0.00 -0.37 0.00 0.00 57.07 56.02 3k2u s TYR 34 Cb -0.19 -2.93 0.13 0.00 -0.40 0.00 0.00 41.96 38.56 3k2u s TYR 34 CO 0.00 -0.72 0.30 0.42 -1.57 0.00 0.00 175.55 173.99 3k2u s ILE 35 N 1.92 3.67 0.00 2.71 1.01 -0.64 -1.44 121.20 128.43 3k2u s ILE 35 Ca 0.08 -2.18 0.00 0.00 0.00 0.00 0.00 60.65 58.55 3k2u s ILE 35 Cb -0.20 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 38.82 3k2u s ILE 35 CO 0.11 -0.76 0.00 0.61 0.00 0.00 0.00 174.94 174.90 3k2u n GLY 36 N 4.43 2.70 0.96 6.18 0.00 -0.84 -0.36 105.19 118.26 3k2u n GLY 36 Ca -0.01 0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.25 3k2u n GLY 36 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k2u n ASP 39 N 10.32 3.49 -4.90 1.61 8.00 -1.26 -4.98 116.55 128.82 3k2u n ASP 39 Ca 0.00 -2.13 -0.26 0.00 0.71 0.00 0.00 54.79 53.11 3k2u n ASP 39 Cb 0.00 -0.37 -0.01 0.00 -0.02 0.00 0.00 41.12 40.73 3k2u n ASP 39 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3k2u s SER 40 N -1.06 4.64 0.03 -2.24 0.01 0.51 -5.16 113.70 110.42 3k2u s SER 40 Ca 0.35 -1.24 -0.17 0.00 1.31 0.00 0.00 55.95 56.21 3k2u s SER 40 Cb 0.20 0.40 0.03 0.00 0.21 0.00 0.00 66.02 66.86 3k2u s SER 40 CO 0.21 -1.10 0.37 0.12 0.41 0.00 0.00 173.24 173.25 3k2u s PHE 41 N -2.77 -0.22 -0.07 2.43 5.36 -1.26 -1.63 117.98 119.83 3k2u s PHE 41 Ca 0.35 0.20 -0.29 0.00 -0.96 0.00 0.00 56.93 56.22 3k2u s PHE 41 Cb -0.02 0.16 0.07 0.00 -0.34 0.00 0.00 43.02 42.89 3k2u s PHE 41 CO 0.21 -0.51 0.65 0.00 -1.46 0.00 0.00 175.22 174.12 3k2u s ALA 43 N -1.04 3.63 0.35 0.00 0.00 0.04 -0.30 121.76 124.44 3k2u s ALA 43 Ca -0.10 -1.18 -0.09 0.00 0.00 0.00 0.00 51.96 50.59 3k2u s ALA 43 Cb -0.01 -2.26 0.02 0.00 0.00 0.00 0.00 23.12 20.87 3k2u s ALA 43 CO 0.09 -0.93 0.60 0.20 0.00 0.00 0.00 175.76 175.71 3k2u s GLY 44 N -4.45 0.93 -0.15 0.00 0.00 0.37 -3.67 107.32 100.35 3k2u s GLY 44 Ca 0.58 -1.13 -0.01 0.00 0.00 0.00 0.00 44.72 44.16 3k2u s GLY 44 CO 0.41 -0.68 -0.01 -0.56 0.00 0.00 0.00 173.10 172.25 3k2u s SER 45 N -3.14 2.57 0.09 1.64 0.01 0.53 -0.15 113.70 115.25 3k2u s SER 45 Ca 0.23 -0.58 -0.31 0.00 1.31 0.00 0.00 55.95 56.60 3k2u s SER 45 Cb -0.02 -0.71 -0.07 0.00 0.21 0.00 0.00 66.02 65.43 3k2u s SER 45 CO 0.15 -0.22 1.39 -0.22 0.41 0.00 0.00 173.24 174.75 3k2u s LEU 46 N 1.78 4.36 0.00 2.44 2.96 -0.51 -0.80 118.68 128.91 3k2u s LEU 46 Ca 0.01 2.28 0.00 0.00 -0.22 0.00 0.00 54.13 56.20 3k2u s LEU 46 Cb -0.15 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.96 3k2u s LEU 46 CO -0.07 -0.67 0.44 1.33 -1.32 0.00 0.00 176.35 176.06 3k2u n VAL 47 N 4.10 0.18 -3.64 1.68 0.24 -0.84 -1.13 118.33 118.93 3k2u n VAL 47 Ca 0.12 -0.36 -0.04 0.00 -2.04 0.00 0.00 64.34 62.02 3k2u n VAL 47 Cb 0.43 1.22 -0.06 0.00 -1.47 0.00 0.00 33.84 33.95 3k2u n VAL 47 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3k2u s HIS 48 N -0.18 -0.14 0.35 6.34 5.65 -1.23 -4.84 115.29 121.24 3k2u s HIS 48 Ca 0.00 0.30 0.18 0.00 0.25 0.00 0.00 55.06 55.79 3k2u s HIS 48 Cb 0.00 0.47 1.22 0.00 -1.18 0.00 0.00 32.58 33.09 3k2u s HIS 48 CO 0.00 -0.09 1.51 -2.37 -0.65 0.00 0.00 174.74 173.14 3k2u n THR 49 N 1.25 -0.40 -1.00 0.89 5.66 -1.26 -0.39 114.28 119.03 3k2u n THR 49 Ca -0.07 1.96 0.07 0.00 -3.05 0.00 0.00 64.05 62.96 3k2u n THR 49 Cb 0.57 -3.14 0.29 0.00 -1.55 0.00 0.00 70.33 66.50 3k2u n THR 49 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3k2u s TRP 51 N -2.85 -0.02 -0.03 0.00 0.52 0.48 -2.25 118.94 114.79 3k2u s TRP 51 Ca 0.45 0.11 0.05 0.00 0.02 0.00 0.00 56.10 56.73 3k2u s TRP 51 Cb 0.36 -0.05 -0.01 0.00 -1.15 0.00 0.00 33.47 32.62 3k2u s TRP 51 CO 0.10 -0.04 -0.18 0.08 0.02 0.00 0.00 176.95 176.93 3k2u s VAL 52 N 0.33 1.46 -0.18 4.03 1.01 -0.37 -1.99 120.40 124.70 3k2u s VAL 52 Ca -0.03 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.13 3k2u s VAL 52 Cb -0.04 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 3k2u s VAL 52 CO -0.01 0.42 0.03 -0.69 0.00 0.00 0.00 175.10 174.85 3k2u s VAL 53 N -0.15 4.49 0.00 2.92 1.01 0.02 -0.72 120.40 127.98 3k2u s VAL 53 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.84 3k2u s VAL 53 Cb -0.10 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.27 3k2u s VAL 53 CO 0.01 0.46 0.00 -0.24 0.00 0.00 0.00 175.10 175.34 3k2u n SER 54 N 3.61 0.00 -4.50 3.32 2.88 -0.81 -0.35 113.62 117.77 3k2u n SER 54 Ca -0.17 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.04 3k2u n SER 54 Cb 0.52 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.86 3k2u n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3k2u s ALA 55 N -1.86 2.87 0.62 -1.46 0.00 -1.26 -2.04 121.76 118.63 3k2u s ALA 55 Ca 0.00 -0.88 0.41 0.00 0.00 0.00 0.00 51.96 51.49 3k2u s ALA 55 Cb 0.00 -1.29 2.24 0.00 0.00 0.00 0.00 23.12 24.07 3k2u s ALA 55 CO 0.00 0.40 2.32 0.00 0.00 0.00 0.00 175.76 178.48 3k2u h ALA 56 N 5.99 1.12 0.00 0.00 0.00 -1.69 -1.90 119.26 122.78 3k2u h ALA 56 Ca -0.38 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 3k2u h ALA 56 Cb 1.18 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3k2u h ALA 56 CO 0.56 0.01 -0.24 1.12 0.00 0.00 0.00 179.25 180.69 3k2u h HIS 57 N 0.00 0.00 0.00 0.00 2.07 -1.89 -2.13 115.15 113.19 3k2u h HIS 57 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3k2u h HIS 57 Cb 0.04 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.02 3k2u h HIS 57 CO 0.00 0.24 0.00 0.00 -3.07 0.00 0.00 177.93 175.10 3k2u n PHE 59 N -1.37 0.00 0.11 0.00 3.72 -0.85 -4.80 117.46 114.27 3k2u n PHE 59 Ca 0.08 -0.15 0.06 0.00 -0.05 0.00 0.00 57.45 57.39 3k2u n PHE 59 Cb 0.19 -0.02 0.31 0.00 -0.94 0.00 0.00 39.48 39.03 3k2u n PHE 59 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3k2u n SER 60 N -0.15 0.30 -0.46 4.37 3.41 -0.93 -0.81 113.62 119.34 3k2u n SER 60 Ca 0.00 0.63 0.14 0.00 -0.26 0.00 0.00 58.87 59.38 3k2u n SER 60 Cb 0.18 -0.67 0.52 0.00 -0.26 0.00 0.00 64.21 63.98 3k2u n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k2u n HIS 60 N -1.89 0.03 -1.96 7.33 1.44 -1.26 -5.11 115.22 113.80 3k2u n HIS 60 Ca -0.00 -0.02 0.00 0.00 -2.01 0.00 0.00 57.72 55.69 3k2u n HIS 60 Cb 0.03 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.14 3k2u n HIS 60 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 3k2u n SER 60 N 0.13 -8.40 -4.75 4.39 7.64 0.01 -5.23 113.62 107.41 3k2u n SER 60 Ca 0.19 1.37 -0.36 0.00 1.01 0.00 0.00 58.87 61.08 3k2u n SER 60 Cb 0.34 -4.82 -0.08 0.00 -1.01 0.00 0.00 64.21 58.63 3k2u n SER 60 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3k2u s PRO 60 N -1.35 3.59 0.34 1.43 0.02 -1.26 -5.20 135.00 132.57 3k2u s PRO 60 Ca 0.00 -0.26 0.09 0.00 0.02 0.00 0.00 61.00 60.85 3k2u s PRO 60 Cb 0.00 -3.14 0.83 0.00 0.02 0.00 0.00 34.50 32.21 3k2u s PRO 60 CO 0.00 0.56 1.80 0.00 -0.33 0.00 0.00 177.00 179.03 3k2u h ARG 61 N 5.71 0.65 0.00 5.54 3.08 -1.97 0.74 114.38 128.13 3k2u h ARG 61 Ca -0.47 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.54 3k2u h ARG 61 Cb 1.19 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.10 3k2u h ARG 61 CO 0.63 0.43 0.00 -0.40 -1.07 0.00 0.00 179.97 179.56 3k2u n ASP 62 N -4.68 0.00 -1.06 7.04 5.75 -1.26 -2.40 116.55 119.94 3k2u n ASP 62 Ca 0.22 -0.90 0.11 0.00 -0.01 0.00 0.00 54.79 54.21 3k2u n ASP 62 Cb 0.61 0.00 0.18 0.00 -1.03 0.00 0.00 41.12 40.88 3k2u n ASP 62 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3k2u n SER 63 N -0.94 3.28 -4.57 -1.12 3.41 0.25 -4.93 113.62 109.01 3k2u n SER 63 Ca 0.17 -1.96 -0.34 0.00 -0.26 0.00 0.00 58.87 56.48 3k2u n SER 63 Cb 0.08 -0.20 -0.11 0.00 -0.26 0.00 0.00 64.21 63.72 3k2u n SER 63 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3k2u s VAL 64 N -1.49 3.96 -0.02 -3.33 1.01 -1.01 -1.99 120.40 117.53 3k2u s VAL 64 Ca 0.35 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 62.01 3k2u s VAL 64 Cb 0.21 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 3k2u s VAL 64 CO 0.29 0.55 -0.15 -0.44 0.00 0.00 0.00 175.10 175.36 3k2u s SER 65 N -0.32 1.88 -0.29 3.32 0.01 -0.52 -4.16 113.70 113.62 3k2u s SER 65 Ca 0.06 -0.30 0.01 0.00 1.31 0.00 0.00 55.95 57.03 3k2u s SER 65 Cb -0.12 -0.35 0.07 0.00 0.21 0.00 0.00 66.02 65.82 3k2u s SER 65 CO 0.02 0.16 -0.04 -0.69 0.41 0.00 0.00 173.24 173.11 3k2u s VAL 66 N -0.16 2.50 -0.33 3.43 1.01 0.33 -1.05 120.40 126.13 3k2u s VAL 66 Ca 0.02 -1.68 -0.13 0.00 0.00 0.00 0.00 61.98 60.19 3k2u s VAL 66 Cb -0.08 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 3k2u s VAL 66 CO 0.00 -0.17 0.23 -0.69 0.00 0.00 0.00 175.10 174.48 3k2u s VAL 67 N 1.12 5.29 0.36 2.92 1.01 0.54 0.07 120.40 131.72 3k2u s VAL 67 Ca -0.04 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.82 3k2u s VAL 67 Cb -0.20 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 3k2u s VAL 67 CO -0.04 0.04 0.57 -0.76 0.00 0.00 0.00 175.10 174.91 3k2u s LEU 68 N 1.74 3.96 -1.45 3.92 1.43 -0.59 -1.89 118.68 125.79 3k2u s LEU 68 Ca 0.06 0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 53.50 3k2u s LEU 68 Cb -0.17 -3.32 0.05 0.00 0.03 0.00 0.00 46.19 42.78 3k2u s LEU 68 CO 0.11 -0.35 1.05 0.61 0.23 0.00 0.00 176.35 178.00 3k2u n GLY 69 N -1.84 -0.50 3.74 -3.19 0.00 -1.26 -1.89 105.19 100.25 3k2u n GLY 69 Ca -0.04 0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3k2u n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3k2u s GLN 70 N -6.44 3.50 -0.02 1.61 0.74 -1.26 -3.96 119.66 113.83 3k2u s GLN 70 Ca 0.59 -0.28 0.01 0.00 0.05 0.00 0.00 55.36 55.73 3k2u s GLN 70 Cb -0.28 -3.09 -0.02 0.00 1.10 0.00 0.00 33.01 30.72 3k2u s GLN 70 CO 0.79 0.59 -0.01 1.58 -0.55 0.00 0.00 175.29 177.68 3k2u n HIS 71 N 2.55 0.00 -3.95 1.67 -0.00 -1.26 -4.93 115.22 109.29 3k2u n HIS 71 Ca -0.18 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.18 3k2u n HIS 71 Cb 0.54 -0.10 -0.08 0.00 -0.00 0.00 0.00 29.99 30.34 3k2u n HIS 71 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3k2u s PHE 72 N -2.05 3.39 -0.06 1.57 0.08 -1.26 -0.00 117.98 119.65 3k2u s PHE 72 Ca -0.03 0.30 -0.32 0.00 0.12 0.00 0.00 56.93 57.00 3k2u s PHE 72 Cb 0.01 -2.01 -0.10 0.00 -0.57 0.00 0.00 43.02 40.34 3k2u s PHE 72 CO 0.07 0.42 1.94 0.34 -0.10 0.00 0.00 175.22 177.90 3k2u n PHE 73 N 2.82 2.36 -3.09 0.36 7.35 -0.08 -2.18 117.46 125.01 3k2u n PHE 73 Ca -0.18 -0.15 -0.22 0.00 -0.76 0.00 0.00 57.45 56.14 3k2u n PHE 73 Cb 0.53 -2.72 0.02 0.00 0.35 0.00 0.00 39.48 37.67 3k2u n PHE 73 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 3k2u n ASN 74 N 7.32 -5.50 -4.16 -2.13 2.85 -1.26 -4.97 115.26 107.40 3k2u n ASN 74 Ca 0.23 -0.30 -0.34 0.00 -0.11 0.00 0.00 54.58 54.06 3k2u n ASN 74 Cb 0.34 -4.47 -0.15 0.00 1.24 0.00 0.00 39.78 36.75 3k2u n ASN 74 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 3k2u s ARG 75 N -5.76 2.74 0.18 1.20 3.52 -0.93 -5.10 118.95 114.80 3k2u s ARG 75 Ca 0.32 -1.03 -0.29 0.00 -0.13 0.00 0.00 55.73 54.61 3k2u s ARG 75 Cb -0.15 -2.89 -0.08 0.00 -1.56 0.00 0.00 34.95 30.27 3k2u s ARG 75 CO 0.40 -0.40 0.90 0.99 -0.81 0.00 0.00 175.30 176.37 3k2u s THR 76 N 1.27 4.30 0.00 4.11 2.01 -1.26 -4.76 115.64 121.32 3k2u s THR 76 Ca -0.01 1.97 0.00 0.00 0.31 0.00 0.00 61.69 63.96 3k2u s THR 76 Cb -0.17 -4.27 -0.00 0.00 0.01 0.00 0.00 72.50 68.07 3k2u s THR 76 CO -0.06 0.45 0.00 0.35 -0.69 0.00 0.00 174.62 174.67 3k2u n THR 77 N 1.95 0.00 0.92 -0.82 -2.24 -1.26 -5.02 114.28 107.81 3k2u n THR 77 Ca -0.02 -0.02 0.14 0.00 -2.27 0.00 0.00 64.05 61.88 3k2u n THR 77 Cb 0.48 0.01 0.58 0.00 -2.10 0.00 0.00 70.33 69.30 3k2u n THR 77 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3k2u n ASP 78 N -2.89 0.11 -0.23 3.42 5.75 -1.26 -3.15 116.55 118.30 3k2u n ASP 78 Ca 0.00 0.51 0.07 0.00 -0.01 0.00 0.00 54.79 55.36 3k2u n ASP 78 Cb 0.01 -0.54 -0.03 0.00 -1.03 0.00 0.00 41.12 39.53 3k2u n ASP 78 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 3k2u n VAL 79 N -1.61 0.00 -2.63 2.12 0.24 -1.26 -4.99 118.33 110.20 3k2u n VAL 79 Ca 0.07 -0.28 -0.27 0.00 -2.04 0.00 0.00 64.34 61.82 3k2u n VAL 79 Cb 0.34 1.12 0.01 0.00 -1.47 0.00 0.00 33.84 33.84 3k2u n VAL 79 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3k2u s THR 80 N -2.01 4.49 -0.26 3.34 -4.23 -1.19 -4.54 115.64 111.25 3k2u s THR 80 Ca 0.10 0.06 -0.04 0.00 -1.18 0.00 0.00 61.69 60.63 3k2u s THR 80 Cb 0.12 -3.72 0.09 0.00 1.34 0.00 0.00 72.50 70.33 3k2u s THR 80 CO 0.46 -0.69 0.11 -1.10 -0.54 0.00 0.00 174.62 172.86 3k2u s GLN 81 N -4.78 0.22 -0.22 3.99 -0.21 -0.79 -4.84 119.66 113.03 3k2u s GLN 81 Ca 0.49 -0.45 -0.27 0.00 0.02 0.00 0.00 55.36 55.15 3k2u s GLN 81 Cb -0.10 -1.45 0.00 0.00 1.00 0.00 0.00 33.01 32.46 3k2u s GLN 81 CO 0.44 -0.91 0.94 0.99 -2.12 0.00 0.00 175.29 174.64 3k2u s THR 82 N 2.06 4.76 0.12 -0.19 2.01 -1.26 -1.55 115.64 121.59 3k2u s THR 82 Ca 0.07 1.83 0.11 0.00 0.31 0.00 0.00 61.69 64.01 3k2u s THR 82 Cb -0.16 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.08 3k2u s THR 82 CO -0.27 -0.11 -0.26 -0.36 -0.69 0.00 0.00 174.62 172.93 3k2u s PHE 83 N 2.88 2.33 0.45 4.92 0.40 0.11 -4.94 117.98 124.13 3k2u s PHE 83 Ca 0.41 -0.37 0.07 0.00 -0.60 0.00 0.00 56.93 56.43 3k2u s PHE 83 Cb -0.15 -1.27 0.07 0.00 0.51 0.00 0.00 43.02 42.17 3k2u s PHE 83 CO 0.08 0.32 0.59 0.41 0.70 0.00 0.00 175.22 177.32 3k2u n GLY 84 N 1.00 2.06 3.26 4.36 0.00 -1.26 0.12 105.19 114.73 3k2u n GLY 84 Ca -0.18 -2.21 -0.19 0.00 0.00 0.00 0.00 46.02 43.44 3k2u n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3k2u s ILE 85 N -1.84 1.41 -0.15 -0.61 -4.36 -1.26 -1.07 121.20 113.31 3k2u s ILE 85 Ca 0.44 -1.75 0.16 0.00 -0.26 0.00 0.00 60.65 59.25 3k2u s ILE 85 Cb -0.04 -1.58 -0.24 0.00 1.25 0.00 0.00 42.46 41.85 3k2u s ILE 85 CO 0.28 -0.40 0.27 -0.62 0.24 0.00 0.00 174.94 174.72 3k2u n GLU 86 N 0.49 0.67 0.00 0.37 -0.58 0.66 -4.74 120.64 117.52 3k2u n GLU 86 Ca -0.15 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 3k2u n GLU 86 Cb 0.57 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 3k2u n GLU 86 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 3k2u n LYS 87 N -2.84 0.00 -4.27 3.49 2.85 -1.22 -5.00 118.16 111.17 3k2u n LYS 87 Ca -0.27 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.65 3k2u n LYS 87 Cb 1.12 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 35.38 3k2u n LYS 87 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 177.40 178.87 3k2u s TYR 88 N -1.25 3.08 -0.41 5.58 1.13 -1.26 -0.60 117.35 123.62 3k2u s TYR 88 Ca 0.00 -0.23 -0.02 0.00 -1.41 0.00 0.00 57.07 55.41 3k2u s TYR 88 Cb 0.00 -2.00 0.11 0.00 -1.10 0.00 0.00 41.96 38.97 3k2u s TYR 88 CO 0.00 -0.02 0.19 0.42 -2.51 0.00 0.00 175.55 173.63 3k2u s ILE 89 N 0.45 3.15 0.68 -3.49 1.01 0.49 -4.91 121.20 118.58 3k2u s ILE 89 Ca -0.02 -2.13 -0.12 0.00 0.00 0.00 0.00 60.65 58.38 3k2u s ILE 89 Cb -0.14 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.16 3k2u s ILE 89 CO 0.02 -0.68 1.06 -2.16 0.00 0.00 0.00 174.94 173.18 3k2u s PRO 90 N 1.06 2.99 0.31 2.79 0.04 -1.26 0.00 135.00 140.93 3k2u s PRO 90 Ca 0.09 1.01 -0.29 0.00 0.04 0.00 0.00 61.00 61.85 3k2u s PRO 90 Cb -0.22 -1.99 -0.12 0.00 0.04 0.00 0.00 34.50 32.20 3k2u s PRO 90 CO -0.05 -1.06 1.36 0.98 0.04 0.00 0.00 177.00 178.27 3k2u n TYR 91 N -2.94 2.34 -0.30 0.56 9.36 -0.75 -4.86 117.16 120.57 3k2u n TYR 91 Ca 0.08 0.49 0.08 0.00 3.32 0.00 0.00 57.90 61.87 3k2u n TYR 91 Cb 0.53 -2.45 0.20 0.00 -0.63 0.00 0.00 39.34 36.99 3k2u n TYR 91 CO 0.00 0.00 0.00 1.15 0.22 0.00 0.00 176.86 178.23 3k2u h THR 92 N 2.77 0.17 -0.52 2.97 2.02 -1.93 -1.15 112.91 117.25 3k2u h THR 92 Ca -0.46 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.70 3k2u h THR 92 Cb 1.27 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 3k2u h THR 92 CO 0.68 0.01 0.00 0.18 0.37 0.00 0.00 175.52 176.76 3k2u n LEU 93 N -5.45 3.68 -4.64 2.58 4.77 -1.26 -4.98 117.00 111.70 3k2u n LEU 93 Ca 0.17 -1.85 -0.37 0.00 -0.03 0.00 0.00 56.01 53.93 3k2u n LEU 93 Cb 0.57 -0.49 0.07 0.00 -2.33 0.00 0.00 43.42 41.24 3k2u n LEU 93 CO -0.02 0.67 0.61 0.00 -1.33 0.00 0.00 177.39 177.32 3k2u n TYR 94 N 0.89 1.00 -3.79 -1.77 9.36 -0.44 -5.01 117.16 117.41 3k2u n TYR 94 Ca 0.20 0.42 -0.13 0.00 3.32 0.00 0.00 57.90 61.71 3k2u n TYR 94 Cb 0.68 -2.15 -0.09 0.00 -0.63 0.00 0.00 39.34 37.15 3k2u n TYR 94 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3k2u s SER 95 N -1.39 -0.15 0.07 2.98 0.15 -1.26 -5.04 113.70 109.05 3k2u s SER 95 Ca 0.77 0.07 0.26 0.00 0.70 0.00 0.00 55.95 57.75 3k2u s SER 95 Cb -0.39 0.32 0.79 0.00 -1.71 0.00 0.00 66.02 65.02 3k2u s SER 95 CO 0.46 -0.39 1.65 1.33 1.20 0.00 0.00 173.24 177.48 3k2u n VAL 96 N 1.48 0.20 0.15 4.45 0.24 -1.26 -3.63 118.33 119.96 3k2u n VAL 96 Ca -0.21 -0.12 0.13 0.00 -2.04 0.00 0.00 64.34 62.10 3k2u n VAL 96 Cb 0.56 -0.26 0.65 0.00 -1.47 0.00 0.00 33.84 33.32 3k2u n VAL 96 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 3k2u h PHE 97 N 0.00 0.02 -2.12 6.34 3.57 -2.00 -3.14 116.94 119.61 3k2u h PHE 97 Ca 0.00 0.00 -0.55 0.00 3.53 0.00 0.00 57.97 60.95 3k2u h PHE 97 Cb 0.60 -0.01 -0.36 0.00 2.79 0.00 0.00 35.95 38.97 3k2u h PHE 97 CO 0.00 0.01 -0.98 -1.71 -2.23 0.00 0.00 178.31 173.41 3k2u n ASN 98 N -4.48 -0.54 0.16 0.41 5.15 -1.24 -5.00 115.26 109.72 3k2u n ASN 98 Ca 0.02 -2.52 0.04 0.00 -0.60 0.00 0.00 54.58 51.53 3k2u n ASN 98 Cb 0.29 -0.38 0.23 0.00 -0.53 0.00 0.00 39.78 39.39 3k2u n ASN 98 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3k2u n PRO 99 N 2.41 0.06 0.05 1.20 -0.02 -1.19 -1.22 135.00 136.28 3k2u n PRO 99 Ca 0.26 0.52 0.11 0.00 -2.02 0.00 0.00 63.50 62.38 3k2u n PRO 99 Cb 0.50 -2.14 -0.06 0.00 -0.02 0.00 0.00 33.50 31.78 3k2u n PRO 99 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3k2u n SER 99 N -1.92 0.48 -4.82 2.55 7.64 -1.26 -4.49 113.62 111.81 3k2u n SER 99 Ca -0.01 0.10 -0.36 0.00 1.01 0.00 0.00 58.87 59.61 3k2u n SER 99 Cb 0.45 1.11 -0.06 0.00 -1.01 0.00 0.00 64.21 64.71 3k2u n SER 99 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3k2u s ASP 100 N -4.77 7.03 -1.71 6.43 2.15 -0.36 -3.61 116.67 121.83 3k2u s ASP 100 Ca -0.03 1.39 0.00 0.00 0.43 0.00 0.00 52.55 54.35 3k2u s ASP 100 Cb 0.12 -2.41 0.00 0.00 -0.30 0.00 0.00 42.92 40.33 3k2u s ASP 100 CO 0.84 0.03 0.00 1.41 -0.17 0.00 0.00 175.17 177.28 3k2u n HIS 101 N 0.68 -0.73 -1.87 -5.34 8.25 -1.26 -4.62 115.22 110.34 3k2u n HIS 101 Ca -0.02 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.04 3k2u n HIS 101 Cb 0.51 -3.42 -0.03 0.00 1.12 0.00 0.00 29.99 28.17 3k2u n HIS 101 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3k2u n ASP 102 N -1.59 3.60 -3.81 0.41 2.03 -1.24 -4.48 116.55 111.46 3k2u n ASP 102 Ca -0.20 -2.79 -0.13 0.00 0.52 0.00 0.00 54.79 52.20 3k2u n ASP 102 Cb 0.64 -1.56 -0.13 0.00 -0.72 0.00 0.00 41.12 39.35 3k2u n ASP 102 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3k2u s LEU 103 N 4.44 1.35 -0.03 -2.67 2.96 -1.26 -3.99 118.68 119.48 3k2u s LEU 103 Ca 0.56 0.30 -0.03 0.00 -0.22 0.00 0.00 54.13 54.75 3k2u s LEU 103 Cb 0.08 0.50 0.01 0.00 0.50 0.00 0.00 46.19 47.29 3k2u s LEU 103 CO 0.06 -0.06 0.08 0.54 -1.32 0.00 0.00 176.35 175.65 3k2u s VAL 104 N 0.20 -0.01 -0.27 1.68 0.11 -0.86 -1.81 120.40 119.43 3k2u s VAL 104 Ca -0.01 0.03 -0.08 0.00 -2.93 0.00 0.00 61.98 58.99 3k2u s VAL 104 Cb -0.02 -0.13 -0.01 0.00 -1.53 0.00 0.00 36.38 34.68 3k2u s VAL 104 CO -0.01 0.01 0.09 -0.76 -3.33 0.00 0.00 175.10 171.11 3k2u s LEU 105 N 0.22 3.69 -0.22 2.54 1.43 0.10 -1.92 118.68 124.52 3k2u s LEU 105 Ca -0.01 -0.41 -0.09 0.00 -1.03 0.00 0.00 54.13 52.58 3k2u s LEU 105 Cb -0.02 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.22 3k2u s LEU 105 CO -0.01 -0.11 0.12 -0.63 0.23 0.00 0.00 176.35 175.95 3k2u s ILE 106 N 1.58 5.12 -0.27 -0.59 1.01 0.10 0.18 121.20 128.34 3k2u s ILE 106 Ca 0.05 0.09 -0.10 0.00 0.00 0.00 0.00 60.65 60.69 3k2u s ILE 106 Cb -0.16 -3.36 -0.05 0.00 0.01 0.00 0.00 42.46 38.90 3k2u s ILE 106 CO 0.04 0.39 0.17 -0.60 0.00 0.00 0.00 174.94 174.93 3k2u s ARG 107 N 0.82 3.90 0.64 2.79 3.52 0.23 -1.24 118.95 129.62 3k2u s ARG 107 Ca 0.06 -0.35 -0.12 0.00 -0.13 0.00 0.00 55.73 55.20 3k2u s ARG 107 Cb -0.13 -3.60 -0.02 0.00 -1.56 0.00 0.00 34.95 29.64 3k2u s ARG 107 CO 0.02 -0.17 1.04 -0.51 -0.81 0.00 0.00 175.30 174.88 3k2u s LEU 108 N 1.70 3.24 -0.10 -0.88 1.43 -0.95 -0.25 118.68 122.87 3k2u s LEU 108 Ca 0.07 1.57 -0.30 0.00 -1.03 0.00 0.00 54.13 54.44 3k2u s LEU 108 Cb -0.16 -4.49 -0.02 0.00 0.03 0.00 0.00 46.19 41.56 3k2u s LEU 108 CO 0.09 -1.15 1.05 -0.54 0.23 0.00 0.00 176.35 176.03 3k2u s LYS 109 N -4.91 4.40 0.40 1.70 1.02 -0.24 -4.47 119.74 117.65 3k2u s LYS 109 Ca 0.58 1.45 -0.26 0.00 0.02 0.00 0.00 55.97 57.75 3k2u s LYS 109 Cb -0.13 -3.55 -0.10 0.00 -0.52 0.00 0.00 37.83 33.53 3k2u s LYS 109 CO 0.51 -0.35 1.35 1.63 -0.92 0.00 0.00 175.35 177.57 3k2u n LYS 110 N 5.08 2.18 -3.48 1.68 5.02 -1.26 -4.74 118.16 122.64 3k2u n LYS 110 Ca 0.09 0.77 -0.27 0.00 -2.02 0.00 0.00 58.31 56.89 3k2u n LYS 110 Cb 0.48 -2.47 -0.09 0.00 -0.02 0.00 0.00 35.03 32.93 3k2u n LYS 110 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3k2u n LYS 111 N 0.18 1.73 0.00 1.97 4.76 0.13 -4.97 118.16 121.96 3k2u n LYS 111 Ca 0.05 -4.16 0.00 0.00 -2.87 0.00 0.00 58.31 51.32 3k2u n LYS 111 Cb 0.39 -1.98 0.00 0.00 -1.84 0.00 0.00 35.03 31.60 3k2u n LYS 111 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3k2u n GLY 111 N 1.44 0.67 1.17 0.72 0.00 -1.26 -4.33 105.19 103.60 3k2u n GLY 111 Ca 0.26 -1.36 0.09 0.00 0.00 0.00 0.00 46.02 45.01 3k2u n GLY 111 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k2u n ASP 111 N 0.00 3.39 -0.63 1.61 5.75 -1.26 -4.96 116.55 120.45 3k2u n ASP 111 Ca 0.00 -2.07 0.00 0.00 -0.01 0.00 0.00 54.79 52.71 3k2u n ASP 111 Cb 0.00 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 3k2u n ASP 111 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 3k2u n ARG 111 N 1.21 0.00 0.00 0.11 1.85 -1.26 -5.15 116.66 113.43 3k2u n ARG 111 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.06 3k2u n ARG 111 Cb 0.56 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.97 3k2u n ARG 111 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3k2u s ALA 112 N -2.19 3.34 -0.16 0.00 0.00 0.02 -4.64 121.76 118.13 3k2u s ALA 112 Ca 0.00 0.71 -0.03 0.00 0.00 0.00 0.00 51.96 52.64 3k2u s ALA 112 Cb 0.00 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 3k2u s ALA 112 CO 0.00 0.02 -0.05 0.95 0.00 0.00 0.00 175.76 176.67 3k2u s THR 113 N -0.82 3.70 0.15 0.00 -4.23 -1.26 -4.67 115.64 108.51 3k2u s THR 113 Ca 0.44 -0.42 -0.32 0.00 -1.18 0.00 0.00 61.69 60.21 3k2u s THR 113 Cb -0.27 -2.62 -0.12 0.00 1.34 0.00 0.00 72.50 70.83 3k2u s THR 113 CO 0.34 0.49 1.73 0.54 -0.54 0.00 0.00 174.62 177.18 3k2u n ARG 114 N 3.64 2.57 -3.08 3.99 1.74 -1.26 -4.79 116.66 119.47 3k2u n ARG 114 Ca -0.18 0.93 -0.10 0.00 -0.77 0.00 0.00 57.85 57.74 3k2u n ARG 114 Cb 0.52 -2.77 -0.03 0.00 -1.02 0.00 0.00 32.46 29.16 3k2u n ARG 114 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3k2u n SER 115 N 4.54 -0.48 0.00 0.55 3.41 -0.16 -4.97 113.62 116.50 3k2u n SER 115 Ca 0.17 -2.11 0.13 0.00 -0.26 0.00 0.00 58.87 56.80 3k2u n SER 115 Cb 0.34 1.03 0.61 0.00 -0.26 0.00 0.00 64.21 65.92 3k2u n SER 115 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3k2u n GLN 116 N -0.33 0.21 0.00 4.33 7.27 -1.26 -3.24 117.38 124.37 3k2u n GLN 116 Ca 0.03 0.05 0.00 0.00 0.07 0.00 0.00 57.00 57.15 3k2u n GLN 116 Cb 0.32 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.47 3k2u n GLN 116 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 3k2u n PHE 117 N -1.38 0.00 -3.71 3.69 3.72 -1.26 -4.82 117.46 113.70 3k2u n PHE 117 Ca 0.10 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.23 3k2u n PHE 117 Cb 0.25 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 38.62 3k2u n PHE 117 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3k2u s VAL 118 N -0.65 0.39 0.03 -4.37 1.01 -1.20 -4.02 120.40 111.59 3k2u s VAL 118 Ca 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 3k2u s VAL 118 Cb 0.00 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 3k2u s VAL 118 CO 0.00 -0.18 -0.02 -1.10 0.00 0.00 0.00 175.10 173.80 3k2u s GLN 119 N 1.92 0.45 0.06 2.72 -1.52 -0.22 -0.99 119.66 122.08 3k2u s GLN 119 Ca 0.00 -0.86 -0.23 0.00 -1.95 0.00 0.00 55.36 52.32 3k2u s GLN 119 Cb -0.16 0.16 -0.06 0.00 -0.22 0.00 0.00 33.01 32.72 3k2u s GLN 119 CO -0.08 -0.08 0.68 -1.25 -0.25 0.00 0.00 175.29 174.31 3k2u s PRO 120 N -2.52 4.40 0.48 2.91 0.04 -1.26 -2.92 135.00 136.12 3k2u s PRO 120 Ca -0.06 0.92 -0.06 0.00 0.04 0.00 0.00 61.00 61.84 3k2u s PRO 120 Cb -0.02 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 3k2u s PRO 120 CO -0.05 0.44 0.80 -1.50 0.04 0.00 0.00 177.00 176.73 3k2u s ILE 121 N -0.53 4.88 0.24 0.56 2.07 -0.28 -4.96 121.20 123.18 3k2u s ILE 121 Ca 0.34 0.31 -0.10 0.00 -1.41 0.00 0.00 60.65 59.79 3k2u s ILE 121 Cb -0.20 -3.84 -0.07 0.00 0.13 0.00 0.00 42.46 38.47 3k2u s ILE 121 CO 0.21 -0.81 0.56 0.00 -1.91 0.00 0.00 174.94 172.99 3k2u s LEU 123 N -2.86 4.38 0.96 0.00 1.43 -1.26 0.45 118.68 121.77 3k2u s LEU 123 Ca 0.48 0.76 -0.11 0.00 -1.03 0.00 0.00 54.13 54.23 3k2u s LEU 123 Cb -0.11 -2.48 0.17 0.00 0.03 0.00 0.00 46.19 43.80 3k2u s LEU 123 CO 0.21 0.23 1.11 -2.16 0.23 0.00 0.00 176.35 175.98 3k2u s PRO 124 N -0.44 0.70 0.32 1.29 0.04 -1.26 -4.87 135.00 130.78 3k2u s PRO 124 Ca 0.21 1.32 -0.28 0.00 0.04 0.00 0.00 61.00 62.28 3k2u s PRO 124 Cb -0.15 -1.71 -0.10 0.00 0.04 0.00 0.00 34.50 32.59 3k2u s PRO 124 CO 0.09 -2.77 1.20 -1.21 0.04 0.00 0.00 177.00 174.35 3k2u s GLU 125 N -4.65 4.42 -0.06 4.56 0.41 -1.26 -4.89 118.70 117.23 3k2u s GLU 125 Ca 0.66 1.98 -0.36 0.00 -0.41 0.00 0.00 54.97 56.85 3k2u s GLU 125 Cb -0.22 -3.05 -0.13 0.00 -1.78 0.00 0.00 34.13 28.95 3k2u s GLU 125 CO 0.59 -0.05 1.74 -2.30 -0.49 0.00 0.00 175.26 174.76 3k2u n PRO 126 N 0.82 1.87 0.00 0.39 -0.02 -1.26 -0.91 135.00 135.90 3k2u n PRO 126 Ca 0.00 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3k2u n PRO 126 Cb 0.44 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 3k2u n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k2u n GLY 127 N 3.98 2.87 3.67 -1.23 0.00 -0.86 -5.01 105.19 108.61 3k2u n GLY 127 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 3k2u n GLY 127 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k2u s SER 128 N -3.86 3.02 0.17 1.61 1.04 -0.09 -5.05 113.70 110.53 3k2u s SER 128 Ca 0.00 1.93 -0.13 0.00 0.48 0.00 0.00 55.95 58.23 3k2u s SER 128 Cb 0.00 -2.47 0.01 0.00 0.10 0.00 0.00 66.02 63.66 3k2u s SER 128 CO 0.00 -3.00 0.37 0.42 0.98 0.00 0.00 173.24 172.01 3k2u s THR 129 N -2.71 0.06 0.21 2.02 -4.23 -1.26 -4.87 115.64 104.87 3k2u s THR 129 Ca 0.65 -1.08 0.08 0.00 -1.18 0.00 0.00 61.69 60.16 3k2u s THR 129 Cb -0.21 -1.64 -0.04 0.00 1.34 0.00 0.00 72.50 71.94 3k2u s THR 129 CO 0.58 -0.27 0.02 -0.36 -0.54 0.00 0.00 174.62 174.05 3k2u s PHE 130 N -3.91 2.82 0.48 3.99 0.40 -1.26 -5.10 117.98 115.40 3k2u s PHE 130 Ca 0.12 -0.17 -0.23 0.00 -0.60 0.00 0.00 56.93 56.06 3k2u s PHE 130 Cb 0.02 -1.31 -0.07 0.00 0.51 0.00 0.00 43.02 42.17 3k2u s PHE 130 CO -0.03 0.55 1.20 -1.25 0.70 0.00 0.00 175.22 176.40 3k2u s PRO 131 N -3.28 3.62 0.34 0.24 0.04 -1.26 -4.94 135.00 129.75 3k2u s PRO 131 Ca 0.29 1.86 -0.28 0.00 0.04 0.00 0.00 61.00 62.91 3k2u s PRO 131 Cb -0.08 -2.36 -0.12 0.00 0.04 0.00 0.00 34.50 31.98 3k2u s PRO 131 CO 0.20 -0.69 1.40 0.00 0.04 0.00 0.00 177.00 177.94 3k2u n ALA 132 N -0.63 1.77 -0.16 8.56 0.00 -1.26 -1.69 120.51 127.10 3k2u n ALA 132 Ca 0.08 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3k2u n ALA 132 Cb 0.47 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.59 3k2u n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k2u n GLY 133 N 0.92 1.18 3.73 0.00 0.00 0.83 -4.95 105.19 106.91 3k2u n GLY 133 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3k2u n GLY 133 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3k2u s HIS 134 N -2.63 3.06 -0.61 1.61 5.04 -0.68 -4.55 115.29 116.52 3k2u s HIS 134 Ca 0.00 0.91 -0.26 0.00 -1.54 0.00 0.00 55.06 54.17 3k2u s HIS 134 Cb 0.00 -3.83 0.04 0.00 0.04 0.00 0.00 32.58 28.82 3k2u s HIS 134 CO 0.00 -2.84 1.11 0.15 -2.34 0.00 0.00 174.74 170.82 3k2u s LYS 135 N 0.20 3.36 0.41 2.88 1.02 -1.26 -1.20 119.74 125.16 3k2u s LYS 135 Ca 0.63 -0.09 0.08 0.00 0.02 0.00 0.00 55.97 56.61 3k2u s LYS 135 Cb -0.42 -4.07 -0.01 0.00 -0.52 0.00 0.00 37.83 32.81 3k2u s LYS 135 CO 0.38 -1.72 0.46 0.00 -0.92 0.00 0.00 175.35 173.56 3k2u s GLN 137 N -4.23 1.68 -0.01 0.00 0.74 0.05 0.07 119.66 117.96 3k2u s GLN 137 Ca 0.51 -1.13 0.06 0.00 0.05 0.00 0.00 55.36 54.85 3k2u s GLN 137 Cb -0.07 -1.90 -0.01 0.00 1.10 0.00 0.00 33.01 32.13 3k2u s GLN 137 CO 0.30 0.48 -0.18 0.96 -0.55 0.00 0.00 175.29 176.30 3k2u s ILE 138 N -0.85 1.44 0.00 -2.34 -4.36 -0.22 -2.06 121.20 112.81 3k2u s ILE 138 Ca 0.11 -0.78 -0.00 0.00 -0.26 0.00 0.00 60.65 59.72 3k2u s ILE 138 Cb -0.10 -1.20 -0.00 0.00 1.25 0.00 0.00 42.46 42.41 3k2u s ILE 138 CO 0.03 0.41 0.00 0.00 0.24 0.00 0.00 174.94 175.61 3k2u s ALA 139 N -0.43 0.00 0.00 2.27 0.00 -1.26 -1.22 121.76 121.12 3k2u s ALA 139 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.90 3k2u s ALA 139 Cb -0.07 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.08 3k2u s ALA 139 CO -0.01 -0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.12 3k2u n GLY 140 N 2.67 1.15 0.75 0.00 0.00 -0.69 -4.79 105.19 104.29 3k2u n GLY 140 Ca -0.15 -0.71 0.03 0.00 0.00 0.00 0.00 46.02 45.19 3k2u n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3k2u n TRP 141 N -0.22 0.54 -0.15 1.61 8.01 -1.26 -3.56 117.44 122.41 3k2u n TRP 141 Ca 0.00 -0.21 -0.18 0.00 -1.31 0.00 0.00 57.50 55.80 3k2u n TRP 141 Cb 0.00 -0.14 0.17 0.00 -2.01 0.00 0.00 31.31 29.33 3k2u n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3k2u n GLY 142 N 0.46 -3.73 3.64 6.99 0.00 -1.26 0.15 105.19 111.45 3k2u n GLY 142 Ca 0.09 -1.22 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 3k2u n GLY 142 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3k2u s HIS 143 N -1.65 1.78 -0.22 1.61 3.76 0.84 -3.27 115.29 118.14 3k2u s HIS 143 Ca 0.40 1.50 0.02 0.00 -0.15 0.00 0.00 55.06 56.83 3k2u s HIS 143 Cb -0.07 -3.21 0.06 0.00 1.11 0.00 0.00 32.58 30.47 3k2u s HIS 143 CO 0.33 -2.91 1.00 1.28 -0.85 0.00 0.00 174.74 173.59 3k2u n LEU 144 N -4.28 2.08 0.00 0.89 4.77 -1.26 -1.27 117.00 117.93 3k2u n LEU 144 Ca 0.08 -1.88 0.00 0.00 -0.03 0.00 0.00 56.01 54.18 3k2u n LEU 144 Cb 0.53 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3k2u n LEU 144 CO 0.53 0.52 0.00 0.47 -1.33 0.00 0.00 177.39 177.58 3k2u n ASP 145 N -0.22 0.00 -1.16 -1.43 9.92 -1.26 -4.81 116.55 117.59 3k2u n ASP 145 Ca 0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 3k2u n ASP 145 Cb 0.26 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.74 3k2u n ASP 145 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3k2u n VAL 148 N 0.00 0.00 -1.21 2.53 0.31 -1.26 -5.03 118.33 113.66 3k2u n VAL 148 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 3k2u n VAL 148 Cb 0.00 -0.37 0.06 0.00 -0.91 0.00 0.00 33.84 32.63 3k2u n VAL 148 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3k2u n SER 149 N 1.23 -0.12 0.00 4.52 2.88 -1.26 -5.00 113.62 115.87 3k2u n SER 149 Ca 0.00 -1.10 0.00 0.00 -1.33 0.00 0.00 58.87 56.44 3k2u n SER 149 Cb 0.00 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 3k2u n SER 149 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3k2u n GLY 150 N 2.10 1.50 3.67 0.46 0.00 -1.26 -4.95 105.19 106.70 3k2u n GLY 150 Ca 0.05 -1.54 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 3k2u n GLY 150 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k2u s TYR 151 N -1.23 2.06 0.11 1.61 2.02 -1.26 -4.38 117.35 116.28 3k2u s TYR 151 Ca 0.00 1.02 -0.22 0.00 -0.37 0.00 0.00 57.07 57.50 3k2u s TYR 151 Cb 0.00 -3.25 -0.07 0.00 -0.40 0.00 0.00 41.96 38.24 3k2u s TYR 151 CO 0.00 -2.94 0.67 0.45 -1.57 0.00 0.00 175.55 172.16 3k2u s SER 152 N -3.39 7.22 0.10 2.29 0.15 0.12 -4.93 113.70 115.27 3k2u s SER 152 Ca 0.65 1.44 -0.24 0.00 0.70 0.00 0.00 55.95 58.51 3k2u s SER 152 Cb -0.19 -2.43 -0.12 0.00 -1.71 0.00 0.00 66.02 61.57 3k2u s SER 152 CO 0.58 0.24 1.71 0.77 1.20 0.00 0.00 173.24 177.73 3k2u h SER 153 N 4.49 -0.22 -4.11 5.45 4.64 -1.93 -3.39 113.55 118.48 3k2u h SER 153 Ca -0.48 0.03 -0.34 0.00 -0.47 0.00 0.00 61.79 60.53 3k2u h SER 153 Cb 1.21 0.08 -0.16 0.00 -0.31 0.00 0.00 62.40 63.22 3k2u h SER 153 CO 0.65 -0.12 -0.73 -0.94 -0.87 0.00 0.00 176.83 174.82 3k2u s SER 154 N -5.05 1.71 0.12 4.97 1.04 -1.26 -0.90 113.70 114.33 3k2u s SER 154 Ca -0.14 -0.92 -0.35 0.00 0.48 0.00 0.00 55.95 55.02 3k2u s SER 154 Cb 0.07 -0.01 -0.17 0.00 0.10 0.00 0.00 66.02 66.01 3k2u s SER 154 CO 0.66 -0.29 1.20 -0.11 0.98 0.00 0.00 173.24 175.69 3k2u n LEU 155 N 0.14 1.32 -4.35 2.42 7.94 1.00 -4.87 117.00 120.60 3k2u n LEU 155 Ca -0.13 1.13 -0.19 0.00 -1.11 0.00 0.00 56.01 55.72 3k2u n LEU 155 Cb 0.59 -1.17 -0.10 0.00 0.53 0.00 0.00 43.42 43.28 3k2u n LEU 155 CO 0.30 -1.31 -0.43 -0.13 -1.11 0.00 0.00 177.39 174.71 3k2u s ARG 156 N -0.00 1.35 0.17 1.96 0.52 -1.23 -1.14 118.95 120.58 3k2u s ARG 156 Ca 0.79 -1.61 -0.01 0.00 -0.52 0.00 0.00 55.73 54.38 3k2u s ARG 156 Cb -0.94 -1.10 -0.04 0.00 0.52 0.00 0.00 34.95 33.40 3k2u s ARG 156 CO 0.51 0.15 0.11 -1.83 0.02 0.00 0.00 175.30 174.26 3k2u s GLU 157 N -3.66 1.09 -0.13 3.54 -1.05 -0.71 -1.69 118.70 116.08 3k2u s GLU 157 Ca 0.23 -1.53 -0.30 0.00 -0.15 0.00 0.00 54.97 53.22 3k2u s GLU 157 Cb 0.00 0.26 0.12 0.00 -0.44 0.00 0.00 34.13 34.08 3k2u s GLU 157 CO 0.07 -0.34 0.99 0.00 0.95 0.00 0.00 175.26 176.93 3k2u s ALA 158 N -4.11 -1.92 -0.14 -0.84 0.00 -0.36 -0.60 121.76 113.79 3k2u s ALA 158 Ca 0.32 1.46 -0.07 0.00 0.00 0.00 0.00 51.96 53.67 3k2u s ALA 158 Cb 0.07 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 3k2u s ALA 158 CO 0.07 -0.41 0.12 -0.51 0.00 0.00 0.00 175.76 175.03 3k2u s LEU 159 N -1.47 4.21 -0.02 0.00 1.43 -1.26 -1.06 118.68 120.51 3k2u s LEU 159 Ca 0.00 0.35 0.03 0.00 -1.03 0.00 0.00 54.13 53.48 3k2u s LEU 159 Cb -0.01 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.18 3k2u s LEU 159 CO -0.01 0.34 -0.09 0.68 0.23 0.00 0.00 176.35 177.49 3k2u s VAL 160 N -0.59 0.79 0.07 -1.59 -7.23 0.11 -4.87 120.40 107.09 3k2u s VAL 160 Ca 0.12 -0.37 -0.25 0.00 -1.81 0.00 0.00 61.98 59.67 3k2u s VAL 160 Cb -0.12 -0.70 -0.06 0.00 0.56 0.00 0.00 36.38 36.06 3k2u s VAL 160 CO 0.02 0.24 0.75 -2.16 -0.31 0.00 0.00 175.10 173.65 3k2u s PRO 161 N 0.13 4.49 0.23 4.82 0.04 -1.26 -0.36 135.00 143.09 3k2u s PRO 161 Ca -0.02 1.06 -0.30 0.00 0.04 0.00 0.00 61.00 61.78 3k2u s PRO 161 Cb -0.08 -3.34 -0.09 0.00 0.04 0.00 0.00 34.50 31.03 3k2u s PRO 161 CO 0.00 0.36 1.35 -0.51 0.04 0.00 0.00 177.00 178.24 3k2u s LEU 162 N -0.33 4.41 -0.00 -3.56 1.43 -0.34 -0.50 118.68 119.79 3k2u s LEU 162 Ca 0.37 2.52 0.00 0.00 -1.03 0.00 0.00 54.13 55.99 3k2u s LEU 162 Cb -0.21 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.36 3k2u s LEU 162 CO 0.23 -0.58 0.05 -0.69 0.23 0.00 0.00 176.35 175.60 3k2u s VAL 163 N -0.08 4.52 0.23 -1.59 1.01 -0.68 -0.12 120.40 123.70 3k2u s VAL 163 Ca 0.57 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 3k2u s VAL 163 Cb -0.38 -3.05 -0.10 0.00 0.00 0.00 0.00 36.38 32.84 3k2u s VAL 163 CO 0.41 0.36 1.48 0.00 0.00 0.00 0.00 175.10 177.35 3k2u s ALA 164 N -1.16 3.67 0.23 5.51 0.00 -1.26 -4.53 121.76 124.22 3k2u s ALA 164 Ca 0.22 1.36 -0.10 0.00 0.00 0.00 0.00 51.96 53.43 3k2u s ALA 164 Cb -0.12 -3.58 0.33 0.00 0.00 0.00 0.00 23.12 19.75 3k2u s ALA 164 CO 0.13 -0.77 1.63 -0.44 0.00 0.00 0.00 175.76 176.31 3k2u h ASP 165 N 5.43 -0.48 0.23 0.00 3.32 -1.97 0.24 116.42 123.20 3k2u h ASP 165 Ca -0.45 0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.79 3k2u h ASP 165 Cb 1.21 0.37 0.00 0.00 0.22 0.00 0.00 39.33 41.14 3k2u h ASP 165 CO 0.81 -0.19 0.00 1.12 -1.72 0.00 0.00 179.24 179.26 3k2u h HIS 166 N 0.05 0.00 0.10 4.55 2.07 -1.96 0.24 115.15 120.21 3k2u h HIS 166 Ca 0.36 0.00 -0.35 0.00 -2.85 0.00 0.00 60.37 57.52 3k2u h HIS 166 Cb 0.58 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.54 3k2u h HIS 166 CO -0.48 0.00 -1.96 1.63 -3.07 0.00 0.00 177.93 174.05 3k2u n LYS 167 N -2.65 0.74 0.37 5.12 5.02 0.61 -3.41 118.16 123.96 3k2u n LYS 167 Ca -0.01 0.27 -0.18 0.00 -2.02 0.00 0.00 58.31 56.37 3k2u n LYS 167 Cb 0.11 -1.72 -0.09 0.00 -0.02 0.00 0.00 35.03 33.31 3k2u n LYS 167 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3k2u n SER 169 N -5.46 0.14 -4.77 0.00 3.41 0.61 -2.23 113.62 105.31 3k2u n SER 169 Ca -0.13 -2.00 -0.41 0.00 -0.26 0.00 0.00 58.87 56.07 3k2u n SER 169 Cb 0.38 -0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.30 3k2u n SER 169 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3k2u s SER 170 N -1.00 6.54 0.59 4.04 0.15 -1.04 -3.29 113.70 119.69 3k2u s SER 170 Ca 0.02 2.85 0.33 0.00 0.70 0.00 0.00 55.95 59.85 3k2u s SER 170 Cb 0.01 -2.65 1.27 0.00 -1.71 0.00 0.00 66.02 62.94 3k2u s SER 170 CO 0.01 -0.74 1.55 -0.65 1.20 0.00 0.00 173.24 174.61 3k2u h PRO 170 N 3.68 0.00 -0.41 5.44 0.11 -1.90 0.26 132.00 139.18 3k2u h PRO 170 Ca -0.49 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 3k2u h PRO 170 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3k2u h PRO 170 CO 0.69 0.00 0.02 -0.85 -0.21 0.00 0.00 178.00 177.65 3k2u n GLU 170 N -3.58 3.61 0.04 1.05 0.00 -1.26 -4.49 120.64 116.01 3k2u n GLU 170 Ca 0.24 -2.99 0.00 0.00 0.00 0.00 0.00 57.16 54.41 3k2u n GLU 170 Cb 1.40 -2.02 0.00 0.00 0.00 0.00 0.00 31.44 30.82 3k2u n GLU 170 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 3k2u n VAL 171 N -0.13 0.26 -0.09 3.84 0.31 0.81 -4.99 118.33 118.33 3k2u n VAL 171 Ca 0.26 0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.67 3k2u n VAL 171 Cb 1.05 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 33.24 3k2u n VAL 171 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3k2u n TYR 172 N -2.90 0.00 -2.53 3.52 4.01 -0.95 -4.99 117.16 113.32 3k2u n TYR 172 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3k2u n TYR 172 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3k2u n TYR 172 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k2u n GLY 173 N 0.00 1.39 0.00 2.72 0.00 -0.49 -2.10 105.19 106.71 3k2u n GLY 173 Ca 0.00 -0.49 0.02 0.00 0.00 0.00 0.00 46.02 45.55 3k2u n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k2u n ALA 174 N 5.13 1.26 0.29 4.61 0.00 -1.26 -2.45 120.51 128.09 3k2u n ALA 174 Ca 0.00 -0.02 0.16 0.00 0.00 0.00 0.00 53.44 53.58 3k2u n ALA 174 Cb 0.00 -1.08 0.74 0.00 0.00 0.00 0.00 19.45 19.12 3k2u n ALA 174 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3k2u h ASP 175 N 0.00 0.00 -3.45 0.00 3.32 -1.79 -3.41 116.42 111.08 3k2u h ASP 175 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 3k2u h ASP 175 Cb 0.07 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.52 3k2u h ASP 175 CO 0.00 0.00 -0.16 -0.63 -1.72 0.00 0.00 179.24 176.73 3k2u s ILE 176 N -3.67 5.18 0.32 0.35 -1.09 -1.03 -5.04 121.20 116.23 3k2u s ILE 176 Ca -0.01 0.79 0.06 0.00 -2.23 0.00 0.00 60.65 59.26 3k2u s ILE 176 Cb 0.09 -3.76 -0.01 0.00 -1.58 0.00 0.00 42.46 37.20 3k2u s ILE 176 CO 0.38 0.24 0.45 -0.94 -1.23 0.00 0.00 174.94 173.84 3k2u s SER 177 N 1.01 6.03 0.00 3.58 1.04 -1.26 -4.97 113.70 119.14 3k2u s SER 177 Ca 0.21 -0.13 0.04 0.00 0.48 0.00 0.00 55.95 56.55 3k2u s SER 177 Cb -0.15 -1.35 0.20 0.00 0.10 0.00 0.00 66.02 64.82 3k2u s SER 177 CO 0.08 -0.37 1.11 -0.81 0.98 0.00 0.00 173.24 174.23 3k2u n PRO 178 N -1.61 0.01 -0.31 4.02 -0.04 -1.26 -0.82 135.00 134.99 3k2u n PRO 178 Ca -0.02 0.39 0.07 0.00 -0.04 0.00 0.00 63.50 63.91 3k2u n PRO 178 Cb 0.58 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.76 3k2u n PRO 178 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3k2u n ASN 179 N -1.46 2.89 -4.25 3.54 3.02 -1.26 -4.88 115.26 112.85 3k2u n ASN 179 Ca 0.01 -2.10 -0.18 0.00 -0.03 0.00 0.00 54.58 52.28 3k2u n ASN 179 Cb 0.05 -0.38 -0.11 0.00 -0.61 0.00 0.00 39.78 38.73 3k2u n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3k2u s MET 180 N -1.48 1.06 -0.02 3.52 -1.94 -0.00 -1.25 119.30 119.19 3k2u s MET 180 Ca 0.33 -1.28 -0.12 0.00 -1.71 0.00 0.00 55.69 52.91 3k2u s MET 180 Cb 0.19 -0.93 0.02 0.00 2.01 0.00 0.00 34.83 36.11 3k2u s MET 180 CO 0.20 0.18 0.26 -0.48 -0.01 0.00 0.00 175.02 175.17 3k2u s LEU 181 N -2.55 1.04 0.14 -0.03 0.05 -0.65 -4.77 118.68 111.91 3k2u s LEU 181 Ca 0.10 0.05 -0.06 0.00 0.05 0.00 0.00 54.13 54.27 3k2u s LEU 181 Cb -0.04 1.09 -0.06 0.00 -2.05 0.00 0.00 46.19 45.13 3k2u s LEU 181 CO 0.03 -0.40 0.39 0.00 -0.55 0.00 0.00 176.35 175.83 3k2u s ALA 183 N -1.63 -2.38 0.00 0.00 0.00 -0.53 -1.68 121.76 115.53 3k2u s ALA 183 Ca 0.40 1.66 0.00 0.00 0.00 0.00 0.00 51.96 54.03 3k2u s ALA 183 Cb -0.12 -2.27 0.00 0.00 0.00 0.00 0.00 23.12 20.73 3k2u s ALA 183 CO 0.23 -1.45 0.00 0.41 0.00 0.00 0.00 175.76 174.95 3k2u n GLY 184 N 5.43 -1.83 3.94 0.00 0.00 0.35 -3.27 105.19 109.81 3k2u n GLY 184 Ca -0.00 -1.43 -0.26 0.00 0.00 0.00 0.00 46.02 44.33 3k2u n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k2u s TYR 184 N -2.07 3.48 -1.67 1.61 1.51 -1.26 -4.57 117.35 114.37 3k2u s TYR 184 Ca 0.00 0.26 0.05 0.00 -1.01 0.00 0.00 57.07 56.37 3k2u s TYR 184 Cb 0.00 -1.79 0.17 0.00 -0.11 0.00 0.00 41.96 40.23 3k2u s TYR 184 CO 0.00 0.40 1.04 1.19 -1.11 0.00 0.00 175.55 177.07 3k2u n PHE 185 N -0.78 0.31 -3.80 2.71 3.01 -1.26 -3.39 117.46 114.26 3k2u n PHE 185 Ca -0.06 -0.14 0.00 0.00 1.01 0.00 0.00 57.45 58.27 3k2u n PHE 185 Cb 0.54 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.96 3k2u n PHE 185 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 3k2u n ASP 186 N 0.06 1.77 -3.80 4.37 5.75 -1.26 -3.38 116.55 120.06 3k2u n ASP 186 Ca 0.06 -0.80 -0.42 0.00 -0.01 0.00 0.00 54.79 53.62 3k2u n ASP 186 Cb 0.24 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.34 3k2u n ASP 186 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k2u n LYS 188 N 1.04 0.00 -4.53 0.00 4.81 -1.26 -4.99 118.16 113.23 3k2u n LYS 188 Ca 0.38 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.48 3k2u n LYS 188 Cb 0.30 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.24 3k2u n LYS 188 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 3k2u s SER 188 N -1.00 4.81 0.30 3.14 0.01 -1.26 -3.71 113.70 115.99 3k2u s SER 188 Ca 0.00 -0.00 -0.13 0.00 1.31 0.00 0.00 55.95 57.13 3k2u s SER 188 Cb 0.00 -1.36 0.01 0.00 0.21 0.00 0.00 66.02 64.88 3k2u s SER 188 CO 0.00 0.33 0.59 -0.62 0.41 0.00 0.00 173.24 173.95 3k2u s ASP 189 N -0.60 0.09 -0.25 2.44 -1.08 -1.14 -4.57 116.67 111.55 3k2u s ASP 189 Ca 0.09 -1.02 -0.12 0.00 -0.52 0.00 0.00 52.55 50.98 3k2u s ASP 189 Cb -0.12 0.68 -0.05 0.00 -1.46 0.00 0.00 42.92 41.98 3k2u s ASP 189 CO 0.02 -1.33 0.24 0.00 0.52 0.00 0.00 175.17 174.63 3k2u s ALA 190 N -3.47 3.57 0.41 3.66 0.00 -1.26 -1.89 121.76 122.78 3k2u s ALA 190 Ca 0.20 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.31 3k2u s ALA 190 Cb -0.03 -2.49 0.04 0.00 0.00 0.00 0.00 23.12 20.65 3k2u s ALA 190 CO 0.11 -0.42 0.37 0.00 0.00 0.00 0.00 175.76 175.83 3k2u n GLN 192 N -1.56 2.29 0.00 0.00 6.02 -1.26 -1.72 117.38 121.15 3k2u n GLN 192 Ca 0.02 0.81 0.00 0.00 -0.01 0.00 0.00 57.00 57.82 3k2u n GLN 192 Cb 0.45 -2.51 0.00 0.00 1.02 0.00 0.00 30.24 29.20 3k2u n GLN 192 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3k2u n GLY 193 N 2.07 1.99 0.06 1.08 0.00 -1.26 -0.11 105.19 109.01 3k2u n GLY 193 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 3k2u n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k2u n ASP 194 N 0.00 0.68 -4.53 1.61 8.00 -0.70 -4.11 116.55 117.50 3k2u n ASP 194 Ca 0.00 0.05 -0.47 0.00 0.71 0.00 0.00 54.79 55.08 3k2u n ASP 194 Cb 0.00 0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 41.37 3k2u n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3k2u n SER 195 N -2.07 0.48 0.00 -2.24 7.64 -1.26 -0.76 113.62 115.41 3k2u n SER 195 Ca 0.03 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.07 3k2u n SER 195 Cb 0.44 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 3k2u n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k2u n GLY 196 N 1.60 1.93 3.81 0.23 0.00 -0.27 -0.78 105.19 111.71 3k2u n GLY 196 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 3k2u n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k2u s GLY 197 N -1.94 1.88 0.58 -0.02 0.00 0.06 -3.69 107.32 104.19 3k2u s GLY 197 Ca 0.00 0.23 -0.12 0.00 0.00 0.00 0.00 44.72 44.83 3k2u s GLY 197 CO 0.00 0.55 1.00 2.56 0.00 0.00 0.00 173.10 177.21 3k2u s PRO 198 N -4.59 3.71 -0.64 2.90 0.04 -1.26 0.80 135.00 135.95 3k2u s PRO 198 Ca 0.61 0.78 0.03 0.00 0.04 0.00 0.00 61.00 62.46 3k2u s PRO 198 Cb -0.15 -2.12 0.16 0.00 0.04 0.00 0.00 34.50 32.43 3k2u s PRO 198 CO 0.47 -0.45 0.43 -1.17 0.04 0.00 0.00 177.00 176.31 3k2u s LEU 199 N -4.79 4.73 -0.20 -3.56 2.96 0.84 -4.49 118.68 114.17 3k2u s LEU 199 Ca 0.56 -3.45 -0.29 0.00 -0.22 0.00 0.00 54.13 50.73 3k2u s LEU 199 Cb -0.11 -1.68 0.00 0.00 0.50 0.00 0.00 46.19 44.91 3k2u s LEU 199 CO 0.46 -0.17 1.02 0.00 -1.32 0.00 0.00 176.35 176.34 3k2u s ALA 200 N -0.90 3.61 -0.07 5.97 0.00 -0.87 -2.07 121.76 127.42 3k2u s ALA 200 Ca 0.21 0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.40 3k2u s ALA 200 Cb -0.14 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 3k2u s ALA 200 CO -0.09 -0.92 -0.09 0.00 0.00 0.00 0.00 175.76 174.67 3k2u s GLU 202 N -0.67 3.69 -0.19 0.00 2.12 -1.26 -1.88 118.70 120.51 3k2u s GLU 202 Ca 0.10 0.11 -0.04 0.00 0.36 0.00 0.00 54.97 55.50 3k2u s GLU 202 Cb -0.11 -3.13 0.09 0.00 0.26 0.00 0.00 34.13 31.24 3k2u s GLU 202 CO 0.01 0.67 0.28 0.21 -0.54 0.00 0.00 175.26 175.89 3k2u s LYS 203 N -1.44 0.22 -1.25 4.30 2.20 -0.49 -4.86 119.74 118.42 3k2u s LYS 203 Ca 0.25 0.49 0.00 0.00 -0.36 0.00 0.00 55.97 56.35 3k2u s LYS 203 Cb -0.14 -0.60 0.00 0.00 -1.51 0.00 0.00 37.83 35.58 3k2u s LYS 203 CO 0.13 -0.52 0.00 0.09 -0.36 0.00 0.00 175.35 174.69 3k2u n ASN 204 N 5.34 -4.39 0.00 1.43 5.03 -1.26 -2.26 115.26 119.16 3k2u n ASN 204 Ca -0.05 0.03 0.00 0.00 0.87 0.00 0.00 54.58 55.42 3k2u n ASN 204 Cb 0.50 -3.50 0.00 0.00 -1.02 0.00 0.00 39.78 35.76 3k2u n ASN 204 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3k2u n GLY 205 N -1.04 2.92 3.72 7.41 0.00 -1.26 -5.00 105.19 111.94 3k2u n GLY 205 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 3k2u n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k2u s VAL 206 N -1.30 4.77 -0.13 1.61 1.01 -0.96 -5.03 120.40 120.38 3k2u s VAL 206 Ca 0.00 2.01 -0.17 0.00 0.00 0.00 0.00 61.98 63.81 3k2u s VAL 206 Cb 0.00 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 3k2u s VAL 206 CO 0.00 0.22 0.45 0.00 0.00 0.00 0.00 175.10 175.77 3k2u s ALA 207 N 0.66 3.49 0.14 5.51 0.00 -1.26 -1.39 121.76 128.92 3k2u s ALA 207 Ca 0.49 -0.23 0.09 0.00 0.00 0.00 0.00 51.96 52.31 3k2u s ALA 207 Cb -0.21 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.26 3k2u s ALA 207 CO 0.28 0.02 -0.14 0.71 0.00 0.00 0.00 175.76 176.62 3k2u s TYR 208 N 0.60 2.59 -1.22 0.00 1.51 -0.79 -2.67 117.35 117.37 3k2u s TYR 208 Ca 0.24 -0.24 -0.16 0.00 -1.01 0.00 0.00 57.07 55.90 3k2u s TYR 208 Cb -0.15 -1.32 0.12 0.00 -0.11 0.00 0.00 41.96 40.50 3k2u s TYR 208 CO 0.09 0.45 1.54 -1.17 -1.11 0.00 0.00 175.55 175.36 3k2u s LEU 209 N -2.46 4.45 0.16 -1.29 2.96 0.17 -2.22 118.68 120.44 3k2u s LEU 209 Ca 0.21 -2.61 0.03 0.00 -0.22 0.00 0.00 54.13 51.54 3k2u s LEU 209 Cb -0.10 -2.49 -0.04 0.00 0.50 0.00 0.00 46.19 44.06 3k2u s LEU 209 CO 0.13 -0.99 1.36 0.22 -1.32 0.00 0.00 176.35 175.74 3k2u h TYR 210 N 7.59 0.23 -4.04 5.38 3.20 -1.75 -3.39 116.97 124.20 3k2u h TYR 210 Ca 0.36 -0.13 -0.13 0.00 3.14 0.00 0.00 58.73 61.96 3k2u h TYR 210 Cb 0.89 -0.02 -0.12 0.00 1.54 0.00 0.00 36.73 39.02 3k2u h TYR 210 CO 1.25 0.98 -0.34 0.20 -1.64 0.00 0.00 178.16 178.61 3k2u s GLY 211 N -4.56 0.87 -0.04 1.82 0.00 -0.88 -2.92 107.32 101.60 3k2u s GLY 211 Ca -0.02 -1.19 0.04 0.00 0.00 0.00 0.00 44.72 43.54 3k2u s GLY 211 CO 0.83 -0.95 -0.16 -0.42 0.00 0.00 0.00 173.10 172.40 3k2u s ILE 212 N -4.06 1.32 -0.49 0.90 1.01 -0.95 -0.11 121.20 118.82 3k2u s ILE 212 Ca 0.28 -0.65 -0.27 0.00 0.00 0.00 0.00 60.65 60.01 3k2u s ILE 212 Cb 0.03 -1.15 -0.02 0.00 0.01 0.00 0.00 42.46 41.33 3k2u s ILE 212 CO 0.09 0.39 1.86 -0.63 0.00 0.00 0.00 174.94 176.65 3k2u s ILE 213 N 0.14 3.39 -0.26 2.92 1.01 0.24 -0.33 121.20 128.31 3k2u s ILE 213 Ca -0.05 0.32 -0.14 0.00 0.00 0.00 0.00 60.65 60.78 3k2u s ILE 213 Cb -0.12 -3.77 -0.15 0.00 0.01 0.00 0.00 42.46 38.44 3k2u s ILE 213 CO 0.02 -0.65 -0.18 -0.24 0.00 0.00 0.00 174.94 173.89 3k2u n SER 214 N 11.89 1.94 -3.67 3.58 2.88 -1.14 -1.11 113.62 127.99 3k2u n SER 214 Ca 0.22 0.31 -0.05 0.00 -1.33 0.00 0.00 58.87 58.03 3k2u n SER 214 Cb 0.50 -0.82 -0.02 0.00 -0.75 0.00 0.00 64.21 63.12 3k2u n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 3k2u s TRP 215 N -2.48 -0.19 -0.46 0.66 1.48 -1.12 -4.92 118.94 111.91 3k2u s TRP 215 Ca -0.36 -0.05 -0.01 0.00 -1.06 0.00 0.00 56.10 54.62 3k2u s TRP 215 Cb 0.12 0.60 0.00 0.00 -1.16 0.00 0.00 33.47 33.03 3k2u s TRP 215 CO 0.53 -0.71 0.39 0.41 -4.06 0.00 0.00 176.95 173.52 3k2u n GLY 218 N -0.40 0.22 2.79 3.67 0.00 -1.26 -1.00 105.19 109.21 3k2u n GLY 218 Ca -0.07 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 3k2u n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k2u s LEU 222 N -3.53 0.87 0.00 0.00 2.96 -1.26 -5.05 118.68 112.67 3k2u s LEU 222 Ca 0.48 0.19 0.00 0.00 -0.22 0.00 0.00 54.13 54.59 3k2u s LEU 222 Cb 0.32 0.19 0.00 0.00 0.50 0.00 0.00 46.19 47.19 3k2u s LEU 222 CO -0.16 -0.14 0.00 1.41 -1.32 0.00 0.00 176.35 176.14 3k2u n HIS 223 N 4.19 0.00 -3.97 5.38 8.25 -1.22 -4.96 115.22 122.89 3k2u n HIS 223 Ca -0.27 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.10 3k2u n HIS 223 Cb 0.51 -0.89 -0.10 0.00 1.12 0.00 0.00 29.99 30.63 3k2u n HIS 223 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3k2u s LYS 224 N -0.65 0.54 0.47 -0.41 -0.14 -1.25 -4.74 119.74 113.56 3k2u s LYS 224 Ca 0.00 -0.82 -0.01 0.00 -1.36 0.00 0.00 55.97 53.78 3k2u s LYS 224 Cb 0.00 0.20 -0.01 0.00 -1.68 0.00 0.00 37.83 36.35 3k2u s LYS 224 CO 0.00 -0.12 0.71 -1.25 -0.76 0.00 0.00 175.35 173.93 3k2u s PRO 225 N -2.64 3.11 0.82 -1.68 0.04 -1.22 -4.65 135.00 128.78 3k2u s PRO 225 Ca -0.05 -0.34 -0.11 0.00 0.04 0.00 0.00 61.00 60.55 3k2u s PRO 225 Cb -0.01 -2.50 0.08 0.00 0.04 0.00 0.00 34.50 32.11 3k2u s PRO 225 CO -0.05 -0.31 1.09 0.20 0.04 0.00 0.00 177.00 177.97 3k2u s GLY 226 N -4.21 1.65 -0.07 0.56 0.00 -1.20 -4.77 107.32 99.27 3k2u s GLY 226 Ca 0.49 0.07 0.04 0.00 0.00 0.00 0.00 44.72 45.32 3k2u s GLY 226 CO 0.40 0.48 -0.18 0.14 0.00 0.00 0.00 173.10 173.94 3k2u s VAL 227 N -2.95 2.67 0.29 1.40 1.01 -0.17 -1.45 120.40 121.19 3k2u s VAL 227 Ca 0.62 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.79 3k2u s VAL 227 Cb -0.17 -2.04 -0.06 0.00 0.00 0.00 0.00 36.38 34.11 3k2u s VAL 227 CO 0.56 0.57 0.03 -0.31 0.00 0.00 0.00 175.10 175.95 3k2u s TYR 228 N -0.25 1.82 -0.14 5.22 1.51 0.12 -2.80 117.35 122.82 3k2u s TYR 228 Ca 0.00 -0.94 -0.21 0.00 -1.01 0.00 0.00 57.07 54.91 3k2u s TYR 228 Cb -0.13 -1.13 -0.03 0.00 -0.11 0.00 0.00 41.96 40.56 3k2u s TYR 228 CO 0.03 -0.01 0.61 0.99 -1.11 0.00 0.00 175.55 176.06 3k2u s THR 229 N -3.34 5.07 -1.12 -0.71 2.01 0.55 -1.63 115.64 116.47 3k2u s THR 229 Ca 0.34 1.19 -0.22 0.00 0.31 0.00 0.00 61.69 63.30 3k2u s THR 229 Cb 0.07 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 3k2u s THR 229 CO 0.13 0.20 1.87 -0.60 -0.69 0.00 0.00 174.62 175.53 3k2u s ARG 230 N 1.30 2.82 0.49 4.92 3.52 -0.38 -2.24 118.95 129.38 3k2u s ARG 230 Ca 0.30 -1.07 0.23 0.00 -0.13 0.00 0.00 55.73 55.07 3k2u s ARG 230 Cb -0.16 -5.25 1.29 0.00 -1.56 0.00 0.00 34.95 29.27 3k2u s ARG 230 CO 0.12 -3.43 1.94 0.28 -0.81 0.00 0.00 175.30 173.40 3k2u h VAL 231 N 6.41 0.71 0.00 7.11 2.07 -1.81 -0.19 116.25 130.56 3k2u h VAL 231 Ca 0.22 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.69 3k2u h VAL 231 Cb 0.95 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3k2u h VAL 231 CO 1.27 0.03 0.00 0.00 0.02 0.00 0.00 177.57 178.89 3k2u n ALA 232 N -2.61 1.24 1.24 1.67 0.00 -1.26 -0.84 120.51 119.93 3k2u n ALA 232 Ca 0.13 0.16 0.13 0.00 0.00 0.00 0.00 53.44 53.86 3k2u n ALA 232 Cb 0.66 -1.33 0.34 0.00 0.00 0.00 0.00 19.45 19.11 3k2u n ALA 232 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3k2u n ASN 233 N -2.24 1.25 0.00 0.00 3.02 -0.08 -2.03 115.26 115.18 3k2u n ASN 233 Ca -0.00 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 3k2u n ASN 233 Cb 0.09 0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 3k2u n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3k2u n TYR 234 N -0.44 0.00 -0.32 3.10 4.01 -0.02 -4.78 117.16 118.70 3k2u n TYR 234 Ca 0.13 -0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.97 3k2u n TYR 234 Cb 0.37 -0.00 0.32 0.00 -0.31 0.00 0.00 39.34 39.72 3k2u n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3k2u h VAL 235 N 0.09 0.83 -0.10 -0.72 2.07 -1.57 -0.35 116.25 116.50 3k2u h VAL 235 Ca 0.00 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 3k2u h VAL 235 Cb 0.04 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 29.76 3k2u h VAL 235 CO 0.00 0.15 0.02 0.44 0.02 0.00 0.00 177.57 178.20 3k2u h ASP 236 N 0.81 0.15 -0.46 0.57 3.32 -1.89 -1.02 116.42 117.89 3k2u h ASP 236 Ca 0.50 -0.24 0.02 0.00 0.02 0.00 0.00 57.03 57.33 3k2u h ASP 236 Cb 0.71 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.18 3k2u h ASP 236 CO -0.27 0.35 0.27 -0.25 -1.72 0.00 0.00 179.24 177.62 3k2u h TRP 237 N -0.06 0.50 -0.38 4.55 7.01 -1.77 -1.58 115.95 124.22 3k2u h TRP 237 Ca 0.03 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 3k2u h TRP 237 Cb 0.26 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.14 3k2u h TRP 237 CO 0.01 0.28 0.22 0.82 -2.79 0.00 0.00 178.44 176.99 3k2u h ILE 238 N 0.54 1.13 -0.22 2.65 2.04 -0.98 -2.37 117.51 120.30 3k2u h ILE 238 Ca 0.19 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 3k2u h ILE 238 Cb 0.03 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3k2u h ILE 238 CO -0.09 0.13 -0.08 0.78 0.00 0.00 0.00 178.15 178.89 3k2u h ASN 239 N 0.49 0.32 0.26 1.72 2.35 -0.90 -2.06 115.58 117.76 3k2u h ASN 239 Ca 0.13 -0.06 -0.10 0.00 -0.55 0.00 0.00 56.30 55.73 3k2u h ASN 239 Cb 0.02 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 3k2u h ASN 239 CO -0.02 0.44 -0.38 -0.78 -1.65 0.00 0.00 177.43 175.04 3k2u h ASP 240 N 0.32 0.18 0.61 5.81 1.82 -0.94 -2.44 116.42 121.78 3k2u h ASP 240 Ca 0.07 -0.07 -0.11 0.00 -0.39 0.00 0.00 57.03 56.53 3k2u h ASP 240 Cb 0.35 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.30 3k2u h ASP 240 CO 0.02 0.55 -0.51 0.03 -1.61 0.00 0.00 179.24 177.72 3k2u h ARG 241 N 0.15 0.00 -0.69 0.28 2.47 -0.87 -3.07 114.38 112.64 3k2u h ARG 241 Ca 0.02 0.00 -0.44 0.00 -1.26 0.00 0.00 59.98 58.29 3k2u h ARG 241 Cb 0.75 0.00 -0.26 0.00 -1.65 0.00 0.00 29.97 28.80 3k2u h ARG 241 CO 0.06 0.51 0.04 -0.89 0.56 0.00 0.00 179.97 180.24 3k2u n ILE 242 N -3.80 2.89 0.16 2.04 5.41 -1.01 -5.12 119.36 119.93 3k2u n ILE 242 Ca -0.01 -3.12 0.01 0.00 1.00 0.00 0.00 62.75 60.63 3k2u n ILE 242 Cb 0.54 -0.77 0.07 0.00 -0.71 0.00 0.00 39.64 38.78 3k2u n ILE 242 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44