#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2q s SER 2 N 0.00 5.99 -0.05 3.17 0.01 -1.26 -4.16 113.70 117.40 2k2q s SER 2 Ca 0.00 1.56 -0.04 0.00 1.31 0.00 0.00 55.95 58.78 2k2q s SER 2 Cb 0.00 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 63.70 2k2q s SER 2 CO 0.00 -1.03 0.16 -1.10 0.41 0.00 0.00 173.24 171.68 2k2q s GLN 3 N -4.79 3.42 -0.00 12.44 -1.52 -1.24 -4.55 119.66 123.42 2k2q s GLN 3 Ca 0.58 -0.25 0.01 0.00 -1.95 0.00 0.00 55.36 53.74 2k2q s GLN 3 Cb -0.12 -3.12 0.00 0.00 -0.22 0.00 0.00 33.01 29.54 2k2q s GLN 3 CO 0.48 0.71 -0.02 -1.17 -0.25 0.00 0.00 175.29 175.04 2k2q s LEU 4 N -1.58 1.93 -0.12 2.90 2.96 -1.26 -0.99 118.68 122.52 2k2q s LEU 4 Ca 0.22 -0.04 0.03 0.00 -0.22 0.00 0.00 54.13 54.12 2k2q s LEU 4 Cb -0.12 -0.13 0.01 0.00 0.50 0.00 0.00 46.19 46.45 2k2q s LEU 4 CO 0.13 0.02 -0.21 0.12 -1.32 0.00 0.00 176.35 175.08 2k2q s PHE 5 N 0.04 2.50 0.02 5.38 5.36 -0.22 -4.91 117.98 126.15 2k2q s PHE 5 Ca -0.00 -1.17 -0.14 0.00 -0.96 0.00 0.00 56.93 54.66 2k2q s PHE 5 Cb -0.02 -1.70 0.02 0.00 -0.34 0.00 0.00 43.02 40.98 2k2q s PHE 5 CO -0.00 -0.53 0.29 -1.59 -1.46 0.00 0.00 175.22 171.93 2k2q s LYS 6 N 0.69 0.73 -0.36 10.12 -2.85 -1.26 -1.30 119.74 125.50 2k2q s LYS 6 Ca -0.11 -0.38 0.11 0.00 -1.00 0.00 0.00 55.97 54.59 2k2q s LYS 6 Cb -0.16 0.32 0.40 0.00 -2.06 0.00 0.00 37.83 36.32 2k2q s LYS 6 CO 0.02 -0.22 1.47 0.43 0.10 0.00 0.00 175.35 177.15 2k2q n SER 7 N 0.92 -1.65 -4.70 0.03 7.64 -1.26 -5.01 113.62 109.59 2k2q n SER 7 Ca -0.20 -2.32 -0.31 0.00 1.01 0.00 0.00 58.87 57.05 2k2q n SER 7 Cb 0.58 0.83 0.14 0.00 -1.01 0.00 0.00 64.21 64.75 2k2q n SER 7 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2k2q s PHE 8 N 0.16 1.86 -0.11 1.43 -0.71 -1.26 -4.83 117.98 114.52 2k2q s PHE 8 Ca 0.14 1.72 -0.06 0.00 -1.04 0.00 0.00 56.93 57.70 2k2q s PHE 8 Cb 0.43 -3.31 0.05 0.00 -1.21 0.00 0.00 43.02 38.98 2k2q s PHE 8 CO -0.11 -2.59 0.26 0.34 -1.34 0.00 0.00 175.22 171.78 2k2q s ASP 9 N -2.71 -0.26 -1.69 1.98 2.15 -1.26 -4.87 116.67 110.01 2k2q s ASP 9 Ca 0.67 0.56 0.00 0.00 0.43 0.00 0.00 52.55 54.21 2k2q s ASP 9 Cb -0.23 0.46 0.00 0.00 -0.30 0.00 0.00 42.92 42.85 2k2q s ASP 9 CO 0.56 -0.17 0.00 0.00 -0.17 0.00 0.00 175.17 175.38 2k2q n ALA 10 N 4.29 -0.24 -3.79 3.66 0.00 -1.26 -3.03 120.51 120.13 2k2q n ALA 10 Ca -0.24 0.26 -0.28 0.00 0.00 0.00 0.00 53.44 53.18 2k2q n ALA 10 Cb 0.53 -1.87 0.02 0.00 0.00 0.00 0.00 19.45 18.12 2k2q n ALA 10 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2k2q n SER 11 N -1.16 -2.70 0.00 0.00 7.64 -1.26 -4.96 113.62 111.18 2k2q n SER 11 Ca -0.16 -0.99 0.00 0.00 1.01 0.00 0.00 58.87 58.73 2k2q n SER 11 Cb 0.62 -3.34 0.00 0.00 -1.01 0.00 0.00 64.21 60.48 2k2q n SER 11 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2k2q n GLU 12 N -4.29 0.00 -3.69 1.43 4.07 -1.17 -4.93 120.64 112.07 2k2q n GLU 12 Ca -0.21 0.05 -0.15 0.00 -0.06 0.00 0.00 57.16 56.78 2k2q n GLU 12 Cb 0.64 -0.80 -0.15 0.00 -0.06 0.00 0.00 31.44 31.07 2k2q n GLU 12 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2k2q s LYS 13 N -0.65 0.08 -0.36 5.31 1.02 -1.26 -4.86 119.74 119.01 2k2q s LYS 13 Ca 0.00 0.54 -0.23 0.00 0.02 0.00 0.00 55.97 56.30 2k2q s LYS 13 Cb 0.00 -0.20 0.01 0.00 -0.52 0.00 0.00 37.83 37.12 2k2q s LYS 13 CO 0.00 -0.26 0.80 0.99 -0.92 0.00 0.00 175.35 175.96 2k2q s THR 14 N 1.96 4.72 -0.25 2.17 2.01 -1.04 -1.83 115.64 123.39 2k2q s THR 14 Ca -0.01 0.93 -0.02 0.00 0.31 0.00 0.00 61.69 62.91 2k2q s THR 14 Cb -0.12 -4.22 0.03 0.00 0.01 0.00 0.00 72.50 68.20 2k2q s THR 14 CO -0.06 -0.43 -0.06 -1.10 -0.69 0.00 0.00 174.62 172.27 2k2q s GLN 15 N 3.13 2.79 -0.22 4.92 -0.21 -1.26 -1.91 119.66 126.90 2k2q s GLN 15 Ca 0.32 -1.01 -0.05 0.00 0.02 0.00 0.00 55.36 54.64 2k2q s GLN 15 Cb -0.13 -3.00 -0.02 0.00 1.00 0.00 0.00 33.01 30.86 2k2q s GLN 15 CO 0.17 -0.42 -0.00 -0.51 -2.12 0.00 0.00 175.29 172.40 2k2q s LEU 16 N 1.31 3.15 -0.19 2.90 1.02 0.12 -2.51 118.68 124.49 2k2q s LEU 16 Ca -0.01 -0.27 -0.05 0.00 0.02 0.00 0.00 54.13 53.82 2k2q s LEU 16 Cb -0.17 -1.81 -0.03 0.00 0.02 0.00 0.00 46.19 44.20 2k2q s LEU 16 CO -0.04 0.02 0.01 -0.63 0.02 0.00 0.00 176.35 175.73 2k2q s ILE 17 N 1.29 4.18 -0.74 -0.59 1.01 0.14 0.19 121.20 126.67 2k2q s ILE 17 Ca 0.04 -0.24 0.04 0.00 0.00 0.00 0.00 60.65 60.48 2k2q s ILE 17 Cb -0.15 -2.88 0.25 0.00 0.01 0.00 0.00 42.46 39.69 2k2q s ILE 17 CO 0.00 0.44 0.84 0.00 0.00 0.00 0.00 174.94 176.22 2k2q n PHE 19 N 1.21 -3.13 -2.30 0.00 3.72 -1.26 -4.39 117.46 111.31 2k2q n PHE 19 Ca 0.27 1.33 0.00 0.00 -0.05 0.00 0.00 57.45 59.00 2k2q n PHE 19 Cb 0.39 -3.35 0.00 0.00 -0.94 0.00 0.00 39.48 35.57 2k2q n PHE 19 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2k2q n PRO 20 N 0.32 2.00 -0.89 -1.08 -0.04 -1.26 -4.26 135.00 129.79 2k2q n PRO 20 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2k2q n PRO 20 Cb 0.32 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.78 2k2q n PRO 20 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2k2q n PHE 21 N -0.48 -0.71 0.00 0.54 3.72 -1.26 -5.03 117.46 114.24 2k2q n PHE 21 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2k2q n PHE 21 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2k2q n PHE 21 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2k2q n ALA 22 N -3.00 0.00 -0.35 4.37 0.00 -1.26 -5.06 120.51 115.21 2k2q n ALA 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k2q n ALA 22 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2k2q n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k2q n GLY 23 N 4.02 -1.57 0.21 0.00 0.00 -1.26 -4.65 105.19 101.94 2k2q n GLY 23 Ca 0.00 -1.26 0.03 0.00 0.00 0.00 0.00 46.02 44.79 2k2q n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k2q n GLY 24 N 0.00 1.33 0.12 -0.02 0.00 -1.26 -4.78 105.19 100.58 2k2q n GLY 24 Ca 0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 46.02 45.65 2k2q n GLY 24 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2k2q h TYR 25 N 0.00 0.14 0.00 1.61 -0.00 -1.91 -2.92 116.97 113.89 2k2q h TYR 25 Ca 0.00 -0.08 -0.06 0.00 -0.00 0.00 0.00 58.73 58.59 2k2q h TYR 25 Cb 1.08 -0.02 -0.01 0.00 -0.00 0.00 0.00 36.73 37.78 2k2q h TYR 25 CO 0.04 0.86 -0.31 0.77 -0.00 0.00 0.00 178.16 179.52 2k2q h SER 26 N 0.06 0.00 0.64 0.10 0.02 -1.86 -1.06 113.55 111.44 2k2q h SER 26 Ca -0.02 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 2k2q h SER 26 Cb 1.41 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.95 2k2q h SER 26 CO 0.11 0.31 -0.15 0.00 -1.14 0.00 0.00 176.83 175.96 2k2q h ALA 27 N 1.69 1.13 0.00 3.77 0.00 -1.84 0.10 119.26 124.11 2k2q h ALA 27 Ca -0.00 -0.14 -0.27 0.00 0.00 0.00 0.00 54.91 54.49 2k2q h ALA 27 Cb 0.85 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 2k2q h ALA 27 CO 0.04 0.19 -2.09 -1.13 0.00 0.00 0.00 179.25 176.26 2k2q n SER 28 N -3.47 0.25 0.08 0.00 3.41 -0.96 -4.27 113.62 108.66 2k2q n SER 28 Ca -0.01 0.12 -0.08 0.00 -0.26 0.00 0.00 58.87 58.64 2k2q n SER 28 Cb 0.32 0.87 0.05 0.00 -0.26 0.00 0.00 64.21 65.19 2k2q n SER 28 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2k2q h PHE 29 N 0.00 0.37 0.43 7.33 3.57 -0.80 -3.11 116.94 124.73 2k2q h PHE 29 Ca -0.37 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 60.95 2k2q h PHE 29 Cb 1.94 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 40.59 2k2q h PHE 29 CO 0.00 0.90 -0.52 0.00 -2.23 0.00 0.00 178.31 176.47 2k2q h ARG 30 N 0.18 -0.93 -0.17 1.11 3.08 -0.98 -1.04 114.38 115.63 2k2q h ARG 30 Ca -0.03 0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 2k2q h ARG 30 Cb 1.29 0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.54 2k2q h ARG 30 CO 0.12 -0.62 0.04 -1.00 -1.07 0.00 0.00 179.97 177.44 2k2q h PRO 31 N -0.96 0.24 -0.62 0.04 0.13 -1.77 -1.61 132.00 127.44 2k2q h PRO 31 Ca -0.05 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 65.07 2k2q h PRO 31 Cb 0.86 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 31.90 2k2q h PRO 31 CO -0.11 0.23 0.40 1.25 -0.23 0.00 0.00 178.00 179.54 2k2q h LEU 32 N 0.24 0.68 -1.80 1.56 7.12 -1.35 0.22 115.31 121.99 2k2q h LEU 32 Ca 0.06 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.06 2k2q h LEU 32 Cb 0.11 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.08 2k2q h LEU 32 CO -0.00 0.48 0.00 0.00 -0.13 0.00 0.00 178.44 178.79 2k2q n HIS 33 N -4.68 0.68 -0.10 1.25 1.44 -0.44 -2.64 115.22 110.72 2k2q n HIS 33 Ca 0.05 -0.33 -0.16 0.00 -2.01 0.00 0.00 57.72 55.28 2k2q n HIS 33 Cb 0.05 -0.02 -0.09 0.00 0.12 0.00 0.00 29.99 30.04 2k2q n HIS 33 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2k2q n ALA 34 N 0.86 1.57 -0.04 1.59 0.00 -0.44 -3.14 120.51 120.91 2k2q n ALA 34 Ca 0.16 -0.86 -0.21 0.00 0.00 0.00 0.00 53.44 52.52 2k2q n ALA 34 Cb 0.43 0.07 -0.13 0.00 0.00 0.00 0.00 19.45 19.82 2k2q n ALA 34 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2k2q h PHE 35 N -0.14 0.26 0.07 0.00 0.04 -1.14 -3.40 116.94 112.63 2k2q h PHE 35 Ca -0.47 -0.19 -0.27 0.00 2.80 0.00 0.00 57.97 59.84 2k2q h PHE 35 Cb 1.66 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 39.78 2k2q h PHE 35 CO 0.01 1.58 -1.33 1.25 -0.60 0.00 0.00 178.31 179.22 2k2q h LEU 36 N -0.50 0.25 0.00 1.54 5.85 -1.69 -3.48 115.31 117.28 2k2q h LEU 36 Ca -0.35 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.02 2k2q h LEU 36 Cb 1.63 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.58 2k2q h LEU 36 CO -0.05 1.25 -0.03 0.00 -0.34 0.00 0.00 178.44 179.27 2k2q n GLN 37 N -3.40 1.59 0.00 1.25 3.00 -1.23 -5.03 117.38 113.56 2k2q n GLN 37 Ca -0.10 -0.25 0.00 0.00 -0.01 0.00 0.00 57.00 56.65 2k2q n GLN 37 Cb 1.01 0.09 0.00 0.00 0.00 0.00 0.00 30.24 31.34 2k2q n GLN 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2k2q n GLY 38 N 3.78 1.90 3.54 1.08 0.00 -1.19 -3.98 105.19 110.32 2k2q n GLY 38 Ca -0.01 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.32 2k2q n GLY 38 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k2q n GLU 39 N -0.40 -7.44 -2.73 1.61 4.71 -1.26 -4.99 120.64 110.13 2k2q n GLU 39 Ca 0.00 0.84 -0.24 0.00 -0.01 0.00 0.00 57.16 57.75 2k2q n GLU 39 Cb 0.00 -5.88 0.02 0.00 -1.01 0.00 0.00 31.44 24.57 2k2q n GLU 39 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2k2q s GLU 41 N -4.74 4.31 -0.46 0.00 2.56 -0.76 -4.92 118.70 114.69 2k2q s GLU 41 Ca 0.52 1.37 0.05 0.00 0.00 0.00 0.00 54.97 56.91 2k2q s GLU 41 Cb -0.10 -2.55 0.42 0.00 2.00 0.00 0.00 34.13 33.90 2k2q s GLU 41 CO 0.40 0.01 1.19 0.00 -0.56 0.00 0.00 175.26 176.31 2k2q n MET 42 N 0.01 3.39 -2.52 4.30 0.00 -1.26 -4.26 117.12 116.79 2k2q n MET 42 Ca 0.04 -4.39 -0.43 0.00 0.00 0.00 0.00 57.70 52.92 2k2q n MET 42 Cb 0.51 -2.25 -0.02 0.00 0.00 0.00 0.00 33.22 31.45 2k2q n MET 42 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 2k2q s LEU 43 N -3.59 3.70 0.06 3.17 2.96 -1.04 -4.56 118.68 119.38 2k2q s LEU 43 Ca 0.49 0.75 0.01 0.00 -0.22 0.00 0.00 54.13 55.16 2k2q s LEU 43 Cb 0.40 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.52 2k2q s LEU 43 CO -0.18 -1.22 -0.05 0.00 -1.32 0.00 0.00 176.35 173.58 2k2q s ALA 44 N 4.56 0.57 0.32 5.97 0.00 -0.42 -0.68 121.76 132.08 2k2q s ALA 44 Ca 0.52 -1.04 -0.23 0.00 0.00 0.00 0.00 51.96 51.21 2k2q s ALA 44 Cb -0.11 0.17 -0.10 0.00 0.00 0.00 0.00 23.12 23.09 2k2q s ALA 44 CO 0.28 -0.22 0.88 0.00 0.00 0.00 0.00 175.76 176.70 2k2q s ALA 45 N -2.86 3.24 -0.00 0.00 0.00 -0.42 -1.05 121.76 120.66 2k2q s ALA 45 Ca 0.00 0.40 0.04 0.00 0.00 0.00 0.00 51.96 52.40 2k2q s ALA 45 Cb 0.00 -3.07 -0.03 0.00 0.00 0.00 0.00 23.12 20.02 2k2q s ALA 45 CO -0.05 0.21 -0.12 -1.21 0.00 0.00 0.00 175.76 174.59 2k2q s GLU 46 N -2.27 2.40 -0.23 0.00 0.41 -0.16 -4.75 118.70 114.10 2k2q s GLU 46 Ca 0.51 -0.79 -0.28 0.00 -0.41 0.00 0.00 54.97 54.00 2k2q s GLU 46 Cb -0.16 -2.38 -0.05 0.00 -1.78 0.00 0.00 34.13 29.76 2k2q s GLU 46 CO 0.21 0.59 2.17 -1.25 -0.49 0.00 0.00 175.26 176.49 2k2q s PRO 47 N -1.23 3.17 0.59 0.39 0.04 -1.26 -3.62 135.00 133.07 2k2q s PRO 47 Ca 0.15 1.97 0.02 0.00 0.04 0.00 0.00 61.00 63.18 2k2q s PRO 47 Cb -0.11 -4.35 0.06 0.00 0.04 0.00 0.00 34.50 30.14 2k2q s PRO 47 CO 0.05 -2.06 0.82 -1.25 0.04 0.00 0.00 177.00 174.59 2k2q s PRO 48 N 6.25 2.32 0.00 0.56 0.04 -1.26 -4.92 135.00 137.98 2k2q s PRO 48 Ca 0.98 -0.96 0.00 0.00 0.04 0.00 0.00 61.00 61.06 2k2q s PRO 48 Cb -0.32 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.74 2k2q s PRO 48 CO 0.35 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 176.91 2k2q n GLY 49 N -2.43 0.00 1.27 0.56 0.00 -1.26 -5.05 105.19 98.27 2k2q n GLY 49 Ca 0.10 -0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 2k2q n GLY 49 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2k2q n HIS 50 N -0.52 -0.58 -1.57 1.61 8.25 -1.26 -5.05 115.22 116.10 2k2q n HIS 50 Ca 0.00 -0.99 -0.42 0.00 -0.26 0.00 0.00 57.72 56.05 2k2q n HIS 50 Cb 0.00 0.16 -0.01 0.00 1.12 0.00 0.00 29.99 31.26 2k2q n HIS 50 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k2q n GLY 51 N -0.23 4.04 0.16 -1.41 0.00 -1.26 -4.66 105.19 101.83 2k2q n GLY 51 Ca 0.02 -1.51 -0.05 0.00 0.00 0.00 0.00 46.02 44.47 2k2q n GLY 51 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2k2q h THR 52 N 4.00 0.00 -3.52 2.61 1.35 -1.93 -3.47 112.91 111.95 2k2q h THR 52 Ca 0.56 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 2k2q h THR 52 Cb 0.61 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.03 2k2q h THR 52 CO 1.89 0.00 0.00 -3.20 -0.25 0.00 0.00 175.52 173.96 2k2q n ASN 53 N -4.18 0.00 -1.97 5.36 2.85 -1.26 -5.08 115.26 110.98 2k2q n ASN 53 Ca -0.04 -0.89 0.00 0.00 -0.11 0.00 0.00 54.58 53.53 2k2q n ASN 53 Cb 0.14 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.16 2k2q n ASN 53 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k2q n GLN 54 N -0.89 0.58 -2.46 1.20 1.13 -1.26 -4.01 117.38 111.65 2k2q n GLN 54 Ca 0.00 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.63 2k2q n GLN 54 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.33 2k2q n GLN 54 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2k2q s THR 55 N 0.03 4.33 -0.07 5.09 2.01 -1.26 -0.29 115.64 125.48 2k2q s THR 55 Ca 0.00 1.62 -0.05 0.00 0.31 0.00 0.00 61.69 63.57 2k2q s THR 55 Cb 0.00 -4.04 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 2k2q s THR 55 CO 0.00 -0.11 0.22 0.77 -0.69 0.00 0.00 174.62 174.81 2k2q h SER 56 N 7.92 -0.15 -2.07 3.53 4.64 -1.95 -3.46 113.55 122.02 2k2q h SER 56 Ca -0.27 0.01 -0.25 0.00 -0.47 0.00 0.00 61.79 60.80 2k2q h SER 56 Cb 1.11 0.04 -0.08 0.00 -0.31 0.00 0.00 62.40 63.17 2k2q h SER 56 CO 0.95 0.26 -0.25 0.00 -0.87 0.00 0.00 176.83 176.92 2k2q n ALA 57 N -2.66 -0.34 -2.55 5.18 0.00 -1.26 -0.84 120.51 118.03 2k2q n ALA 57 Ca -0.02 0.17 -0.21 0.00 0.00 0.00 0.00 53.44 53.38 2k2q n ALA 57 Cb 0.07 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.17 2k2q n ALA 57 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2k2q n ILE 58 N -2.22 -1.21 -0.32 0.00 2.08 -1.26 -4.86 119.36 111.58 2k2q n ILE 58 Ca -0.13 0.00 0.11 0.00 0.56 0.00 0.00 62.75 63.30 2k2q n ILE 58 Cb 0.45 -3.03 0.32 0.00 -0.75 0.00 0.00 39.64 36.64 2k2q n ILE 58 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2k2q n GLU 59 N -3.25 2.78 -0.13 0.38 1.02 -0.02 -4.39 120.64 117.03 2k2q n GLU 59 Ca -0.21 -2.61 0.05 0.00 -0.02 0.00 0.00 57.16 54.37 2k2q n GLU 59 Cb 0.67 -1.60 0.36 0.00 -0.02 0.00 0.00 31.44 30.85 2k2q n GLU 59 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2k2q h ASP 60 N 4.18 0.63 -0.49 1.62 2.03 -1.89 -0.53 116.42 121.97 2k2q h ASP 60 Ca 0.00 -0.01 0.06 0.00 -0.73 0.00 0.00 57.03 56.36 2k2q h ASP 60 Cb 1.01 -0.15 -0.06 0.00 -0.83 0.00 0.00 39.33 39.31 2k2q h ASP 60 CO 0.03 0.44 0.18 0.25 -1.03 0.00 0.00 179.24 179.10 2k2q h LEU 61 N 0.73 0.19 -0.10 0.15 6.46 -1.97 -0.16 115.31 120.61 2k2q h LEU 61 Ca 0.25 0.06 -0.24 0.00 -0.12 0.00 0.00 57.88 57.82 2k2q h LEU 61 Cb 0.09 0.04 0.01 0.00 -0.73 0.00 0.00 40.66 40.07 2k2q h LEU 61 CO -0.07 0.14 -0.98 -0.33 -0.62 0.00 0.00 178.44 176.58 2k2q h GLU 62 N 0.36 0.55 -0.94 1.25 5.08 -1.73 -3.26 114.58 115.89 2k2q h GLU 62 Ca 0.23 -0.59 0.05 0.00 -1.00 0.00 0.00 59.36 58.05 2k2q h GLU 62 Cb 0.24 0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.60 2k2q h GLU 62 CO -0.23 1.21 0.61 1.49 -1.00 0.00 0.00 179.01 181.09 2k2q h GLU 63 N 0.32 1.10 -0.06 2.33 4.57 -0.60 0.30 114.58 122.53 2k2q h GLU 63 Ca -0.10 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 2k2q h GLU 63 Cb 1.62 -0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 29.96 2k2q h GLU 63 CO 0.18 0.73 0.04 -0.07 -1.18 0.00 0.00 179.01 178.71 2k2q h LEU 64 N 1.13 0.07 -0.63 1.64 3.38 -1.08 0.24 115.31 120.06 2k2q h LEU 64 Ca 0.39 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.21 2k2q h LEU 64 Cb 0.09 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2k2q h LEU 64 CO -0.13 0.05 -0.50 0.71 0.09 0.00 0.00 178.44 178.66 2k2q h THR 65 N 0.08 1.32 0.00 0.22 1.35 -1.53 -1.96 112.91 112.40 2k2q h THR 65 Ca 0.02 -1.72 -0.08 0.00 -0.55 0.00 0.00 66.41 64.08 2k2q h THR 65 Cb -0.01 1.73 -0.01 0.00 -1.73 0.00 0.00 68.15 68.13 2k2q h THR 65 CO -0.00 0.53 -0.36 -0.78 -0.25 0.00 0.00 175.52 174.65 2k2q h ASP 66 N 0.38 0.00 0.09 5.36 3.58 -0.76 -0.83 116.42 124.24 2k2q h ASP 66 Ca 0.02 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.25 2k2q h ASP 66 Cb 1.01 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.05 2k2q h ASP 66 CO 0.09 0.36 -1.08 0.25 -2.88 0.00 0.00 179.24 175.98 2k2q h LEU 67 N 0.00 0.30 0.00 2.28 5.85 -0.44 -3.32 115.31 119.97 2k2q h LEU 67 Ca -0.00 -0.85 0.00 0.00 0.84 0.00 0.00 57.88 57.87 2k2q h LEU 67 Cb 1.18 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.12 2k2q h LEU 67 CO 0.05 1.47 -0.30 1.88 -0.34 0.00 0.00 178.44 181.20 2k2q h TYR 68 N -0.50 0.00 -0.60 1.25 0.05 -1.45 -3.38 116.97 112.34 2k2q h TYR 68 Ca -0.24 0.00 -0.39 0.00 0.05 0.00 0.00 58.73 58.16 2k2q h TYR 68 Cb 1.57 0.00 -0.12 0.00 1.01 0.00 0.00 36.73 39.19 2k2q h TYR 68 CO 0.16 0.00 0.27 1.63 -1.05 0.00 0.00 178.16 179.16 2k2q n LYS 69 N -4.56 2.37 0.06 4.88 4.76 -0.32 -4.47 118.16 120.89 2k2q n LYS 69 Ca -0.04 -1.83 -0.06 0.00 -2.87 0.00 0.00 58.31 53.50 2k2q n LYS 69 Cb 0.16 -2.13 0.10 0.00 -1.84 0.00 0.00 35.03 31.32 2k2q n LYS 69 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 2k2q h GLN 70 N 3.13 0.33 0.11 1.97 4.15 -1.66 -3.21 115.11 119.94 2k2q h GLN 70 Ca 0.34 -0.22 0.01 0.00 0.77 0.00 0.00 58.65 59.55 2k2q h GLN 70 Cb 1.02 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.72 2k2q h GLN 70 CO 0.66 0.82 -0.16 1.49 -1.93 0.00 0.00 178.83 179.72 2k2q h GLU 71 N 0.25 -0.31 -2.33 1.69 4.57 -1.90 -3.43 114.58 113.11 2k2q h GLU 71 Ca -0.00 0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.16 2k2q h GLU 71 Cb 1.10 0.07 -0.25 0.00 -0.16 0.00 0.00 28.75 29.51 2k2q h GLU 71 CO 0.10 -0.21 -0.26 -0.48 -1.18 0.00 0.00 179.01 176.98 2k2q s LEU 72 N -10.25 -0.76 -0.08 1.64 2.34 -1.22 -5.15 118.68 105.20 2k2q s LEU 72 Ca -0.15 1.20 -0.18 0.00 0.06 0.00 0.00 54.13 55.06 2k2q s LEU 72 Cb 0.07 1.72 -0.05 0.00 -0.56 0.00 0.00 46.19 47.37 2k2q s LEU 72 CO 0.66 -0.22 0.48 0.21 -1.06 0.00 0.00 176.35 176.41 2k2q s ASN 73 N 2.49 6.74 -0.03 1.48 2.47 -1.22 -4.84 114.94 122.02 2k2q s ASN 73 Ca -0.05 0.88 -0.03 0.00 0.42 0.00 0.00 52.86 54.09 2k2q s ASN 73 Cb -0.11 -2.29 -0.01 0.00 -1.45 0.00 0.00 41.25 37.39 2k2q s ASN 73 CO -0.15 0.07 -0.05 0.18 -3.72 0.00 0.00 177.10 173.43 2k2q n LEU 74 N 3.25 0.32 -3.64 3.21 4.77 -1.26 -5.10 117.00 118.54 2k2q n LEU 74 Ca -0.08 0.12 -0.05 0.00 -0.03 0.00 0.00 56.01 55.97 2k2q n LEU 74 Cb 0.52 -0.55 -0.07 0.00 -2.33 0.00 0.00 43.42 40.99 2k2q n LEU 74 CO 0.42 -0.47 1.04 -0.60 -1.33 0.00 0.00 177.39 176.45 2k2q s ARG 75 N -1.29 0.19 0.61 3.23 3.52 -1.26 -5.18 118.95 118.78 2k2q s ARG 75 Ca -0.04 0.23 -0.10 0.00 -0.13 0.00 0.00 55.73 55.68 2k2q s ARG 75 Cb 0.01 0.09 0.15 0.00 -1.56 0.00 0.00 34.95 33.64 2k2q s ARG 75 CO 0.06 -0.02 0.46 -0.35 -0.81 0.00 0.00 175.30 174.64 2k2q n PRO 76 N 1.75 -2.54 -2.52 5.12 -0.04 -1.26 -5.06 135.00 130.45 2k2q n PRO 76 Ca -0.11 -0.75 -0.19 0.00 -0.04 0.00 0.00 63.50 62.42 2k2q n PRO 76 Cb 0.57 -0.80 0.08 0.00 -0.04 0.00 0.00 33.50 33.31 2k2q n PRO 76 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2k2q n ASP 77 N -4.04 1.50 -0.12 3.54 -0.08 -1.26 -5.00 116.55 111.09 2k2q n ASP 77 Ca 0.07 -2.17 -0.22 0.00 -1.51 0.00 0.00 54.79 50.96 2k2q n ASP 77 Cb 0.27 -0.48 -0.10 0.00 2.34 0.00 0.00 41.12 43.15 2k2q n ASP 77 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2k2q n ARG 78 N -2.39 0.56 -2.16 -0.67 3.00 -1.26 -4.81 116.66 108.92 2k2q n ARG 78 Ca 0.15 0.19 -0.43 0.00 -0.01 0.00 0.00 57.85 57.75 2k2q n ARG 78 Cb 0.52 -1.43 -0.02 0.00 0.00 0.00 0.00 32.46 31.53 2k2q n ARG 78 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2k2q s PRO 79 N -2.47 3.38 -0.11 5.56 0.04 -1.26 -3.97 135.00 136.17 2k2q s PRO 79 Ca -0.34 1.12 -0.04 0.00 0.04 0.00 0.00 61.00 61.78 2k2q s PRO 79 Cb 0.11 -4.14 0.05 0.00 0.04 0.00 0.00 34.50 30.56 2k2q s PRO 79 CO 0.49 -1.81 0.12 0.12 0.04 0.00 0.00 177.00 175.97 2k2q s PHE 80 N 6.41 -0.03 -0.06 0.56 5.36 0.32 -2.48 117.98 128.05 2k2q s PHE 80 Ca 0.70 0.21 0.05 0.00 -0.96 0.00 0.00 56.93 56.93 2k2q s PHE 80 Cb -0.18 -0.45 -0.00 0.00 -0.34 0.00 0.00 43.02 42.05 2k2q s PHE 80 CO 0.32 -0.36 -0.22 0.14 -1.46 0.00 0.00 175.22 173.63 2k2q s VAL 81 N 2.22 1.84 -0.24 3.12 -7.23 -0.80 -4.18 120.40 115.14 2k2q s VAL 81 Ca 0.04 -0.93 -0.02 0.00 -1.81 0.00 0.00 61.98 59.26 2k2q s VAL 81 Cb -0.14 -1.58 0.02 0.00 0.56 0.00 0.00 36.38 35.25 2k2q s VAL 81 CO -0.07 0.52 -0.07 -0.22 -0.31 0.00 0.00 175.10 174.95 2k2q s LEU 82 N 0.06 3.07 -0.51 1.32 2.96 -1.26 0.13 118.68 124.46 2k2q s LEU 82 Ca -0.08 -0.79 -0.17 0.00 -0.22 0.00 0.00 54.13 52.87 2k2q s LEU 82 Cb -0.14 -1.66 0.08 0.00 0.50 0.00 0.00 46.19 44.97 2k2q s LEU 82 CO 0.05 -0.10 0.50 -0.36 -1.32 0.00 0.00 176.35 175.12 2k2q s PHE 83 N 1.34 3.17 0.56 5.38 0.08 0.13 -4.52 117.98 124.12 2k2q s PHE 83 Ca 0.01 -0.90 0.05 0.00 0.12 0.00 0.00 56.93 56.21 2k2q s PHE 83 Cb -0.16 -3.46 0.05 0.00 -0.57 0.00 0.00 43.02 38.87 2k2q s PHE 83 CO -0.05 -0.95 0.41 0.20 -0.10 0.00 0.00 175.22 174.73 2k2q s GLY 84 N 2.91 2.40 -0.06 4.36 0.00 -1.26 -0.21 107.32 115.46 2k2q s GLY 84 Ca 0.07 -1.17 0.02 0.00 0.00 0.00 0.00 44.72 43.64 2k2q s GLY 84 CO 0.07 -1.96 -0.10 -2.38 0.00 0.00 0.00 173.10 168.73 2k2q s HIS 85 N -2.80 2.83 -0.45 1.90 -3.43 -1.26 -4.68 115.29 107.40 2k2q s HIS 85 Ca 0.32 -0.06 -0.27 0.00 -0.80 0.00 0.00 55.06 54.26 2k2q s HIS 85 Cb -0.02 -1.67 -0.06 0.00 -1.43 0.00 0.00 32.58 29.40 2k2q s HIS 85 CO 0.20 0.27 2.26 -1.12 -2.00 0.00 0.00 174.74 174.36 2k2q s SER 86 N -0.80 4.80 0.10 7.38 0.01 -1.26 -3.89 113.70 120.05 2k2q s SER 86 Ca 0.12 1.12 0.00 0.00 1.31 0.00 0.00 55.95 58.50 2k2q s SER 86 Cb -0.11 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.61 2k2q s SER 86 CO 0.01 -2.60 0.00 0.80 0.41 0.00 0.00 173.24 171.87 2k2q n MET 87 N 8.97 0.00 0.00 12.44 0.00 -1.26 -5.12 117.12 132.15 2k2q n MET 87 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.02 2k2q n MET 87 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.74 2k2q n MET 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2k2q n GLY 88 N -1.15 2.21 0.00 -5.12 0.00 -1.25 -5.08 105.19 94.80 2k2q n GLY 88 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 2k2q n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k2q n GLY 89 N -0.54 0.00 0.37 -0.02 0.00 -1.26 -4.90 105.19 98.83 2k2q n GLY 89 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 2k2q n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2q h MET 90 N 0.00 0.99 -0.51 1.61 -0.00 -1.99 0.19 114.93 115.23 2k2q h MET 90 Ca 0.00 -0.06 -0.10 0.00 -0.00 0.00 0.00 59.70 59.54 2k2q h MET 90 Cb 0.00 -0.22 -0.02 0.00 -0.00 0.00 0.00 31.60 31.36 2k2q h MET 90 CO 0.00 0.66 -0.07 0.82 -0.00 0.00 0.00 176.91 178.31 2k2q h ILE 91 N 1.02 1.27 -0.27 -0.10 5.03 -1.96 0.19 117.51 122.68 2k2q h ILE 91 Ca 0.40 -1.20 -0.04 0.00 -0.12 0.00 0.00 64.86 63.90 2k2q h ILE 91 Cb 0.24 1.01 -0.01 0.00 -3.03 0.00 0.00 36.82 35.03 2k2q h ILE 91 CO -0.16 0.42 -0.00 0.74 -0.68 0.00 0.00 178.15 178.47 2k2q h THR 92 N 0.81 1.26 -0.13 -0.27 2.02 -1.63 -2.74 112.91 112.22 2k2q h THR 92 Ca 0.13 -0.93 -0.19 0.00 0.77 0.00 0.00 66.41 66.19 2k2q h THR 92 Cb 0.62 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 2k2q h THR 92 CO 0.04 0.30 -0.71 0.15 0.37 0.00 0.00 175.52 175.67 2k2q h PHE 93 N 0.27 0.77 -0.88 3.16 3.04 -0.61 -2.48 116.94 120.20 2k2q h PHE 93 Ca 0.08 -0.33 0.03 0.00 3.98 0.00 0.00 57.97 61.73 2k2q h PHE 93 Cb 0.43 -0.12 -0.05 0.00 2.56 0.00 0.00 35.95 38.77 2k2q h PHE 93 CO 0.04 1.11 0.57 -0.09 -2.02 0.00 0.00 178.31 177.91 2k2q h ARG 94 N 0.40 1.10 -0.06 1.11 2.43 -0.60 0.22 114.38 118.98 2k2q h ARG 94 Ca -0.03 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 2k2q h ARG 94 Cb 1.30 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 30.60 2k2q h ARG 94 CO 0.13 0.72 -0.03 -0.07 -1.51 0.00 0.00 179.97 179.22 2k2q h LEU 95 N 1.13 0.13 0.61 3.80 -0.00 -1.46 -2.59 115.31 116.92 2k2q h LEU 95 Ca 0.34 -0.42 -0.03 0.00 -0.00 0.00 0.00 57.88 57.77 2k2q h LEU 95 Cb -0.04 -0.04 0.01 0.00 -0.00 0.00 0.00 40.66 40.59 2k2q h LEU 95 CO -0.10 0.52 -0.29 0.00 -0.00 0.00 0.00 178.44 178.57 2k2q h ALA 96 N 0.61 -1.08 -0.88 1.53 0.00 -1.12 -0.54 119.26 117.79 2k2q h ALA 96 Ca 0.01 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 54.90 2k2q h ALA 96 Cb 0.47 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 2k2q h ALA 96 CO 0.01 -1.02 0.57 0.37 0.00 0.00 0.00 179.25 179.17 2k2q h GLN 97 N -0.91 0.58 -0.10 0.00 4.15 -0.72 0.26 115.11 118.38 2k2q h GLN 97 Ca -0.08 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.25 2k2q h GLN 97 Cb 0.62 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.18 2k2q h GLN 97 CO 0.14 0.39 -0.16 -0.22 -1.93 0.00 0.00 178.83 177.04 2k2q h LYS 98 N 0.60 0.28 -0.58 1.69 3.64 -1.44 -2.16 116.57 118.60 2k2q h LYS 98 Ca 0.45 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.62 2k2q h LYS 98 Cb 0.83 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.64 2k2q h LYS 98 CO -0.20 0.75 0.23 -0.07 -2.27 0.00 0.00 179.45 177.90 2k2q h LEU 99 N -0.16 0.77 0.57 5.20 3.38 0.28 -1.82 115.31 123.53 2k2q h LEU 99 Ca 0.01 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2k2q h LEU 99 Cb 0.73 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.28 2k2q h LEU 99 CO 0.04 0.69 -0.27 -0.33 0.09 0.00 0.00 178.44 178.65 2k2q h GLU 100 N 0.83 -0.74 -0.41 1.13 5.08 -0.54 0.38 114.58 120.32 2k2q h GLU 100 Ca 0.20 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 2k2q h GLU 100 Cb 0.16 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2k2q h GLU 100 CO -0.02 -0.44 0.21 0.07 -1.00 0.00 0.00 179.01 177.83 2k2q h ARG 101 N -0.93 0.56 0.00 2.33 0.11 -1.27 0.17 114.38 115.35 2k2q h ARG 101 Ca -0.08 -0.06 -0.12 0.00 0.10 0.00 0.00 59.98 59.83 2k2q h ARG 101 Cb 0.64 -0.11 -0.02 0.00 1.11 0.00 0.00 29.97 31.59 2k2q h ARG 101 CO 0.13 0.43 -0.87 1.05 0.10 0.00 0.00 179.97 180.81 2k2q h GLU 102 N 0.56 0.00 0.07 0.08 4.11 -1.33 -3.33 114.58 114.74 2k2q h GLU 102 Ca 0.14 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.31 2k2q h GLU 102 Cb 0.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2k2q h GLU 102 CO -0.02 0.37 -1.33 0.78 0.07 0.00 0.00 179.01 178.88 2k2q h GLY 103 N 3.63 0.16 -5.33 1.06 0.00 -0.24 -3.47 103.07 98.88 2k2q h GLY 103 Ca -0.06 -0.41 -0.10 0.00 0.00 0.00 0.00 47.33 46.76 2k2q h GLY 103 CO 0.05 0.36 -0.19 -1.50 0.00 0.00 0.00 176.54 175.26 2k2q s ILE 104 N -2.65 -0.01 -0.14 2.60 1.10 0.54 -4.56 121.20 118.08 2k2q s ILE 104 Ca -0.04 0.03 -0.09 0.00 -0.51 0.00 0.00 60.65 60.04 2k2q s ILE 104 Cb 0.08 -0.68 -0.06 0.00 0.15 0.00 0.00 42.46 41.95 2k2q s ILE 104 CO 0.84 0.01 -0.03 0.15 -2.11 0.00 0.00 174.94 173.80 2k2q h PHE 105 N 6.14 0.00 -1.07 3.50 3.57 -1.81 -3.36 116.94 123.90 2k2q h PHE 105 Ca -0.31 0.00 -0.65 0.00 3.53 0.00 0.00 57.97 60.54 2k2q h PHE 105 Cb 1.18 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.83 2k2q h PHE 105 CO 0.31 0.24 1.83 -1.25 -2.23 0.00 0.00 178.31 177.21 2k2q s PRO 106 N -2.08 3.81 0.72 6.41 0.04 -1.26 -4.99 135.00 137.66 2k2q s PRO 106 Ca -0.13 -1.64 -0.12 0.00 0.04 0.00 0.00 61.00 59.16 2k2q s PRO 106 Cb 0.02 -5.42 0.03 0.00 0.04 0.00 0.00 34.50 29.16 2k2q s PRO 106 CO 0.24 -2.20 1.08 -0.65 0.04 0.00 0.00 177.00 175.51 2k2q s GLN 107 N 4.40 2.59 0.09 4.56 -0.21 -1.26 -4.91 119.66 124.91 2k2q s GLN 107 Ca 0.49 1.15 0.00 0.00 0.02 0.00 0.00 55.36 57.02 2k2q s GLN 107 Cb 0.02 -1.94 0.00 0.00 1.00 0.00 0.00 33.01 32.09 2k2q s GLN 107 CO -0.01 -1.39 0.00 0.00 -2.12 0.00 0.00 175.29 171.78 2k2q n ALA 108 N -3.15 3.00 -3.48 6.09 0.00 -1.25 -4.98 120.51 116.73 2k2q n ALA 108 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.17 2k2q n ALA 108 Cb 0.53 0.19 -0.14 0.00 0.00 0.00 0.00 19.45 20.03 2k2q n ALA 108 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2k2q s VAL 109 N -1.82 3.34 0.29 0.00 1.01 -1.25 -0.59 120.40 121.38 2k2q s VAL 109 Ca 0.00 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.10 2k2q s VAL 109 Cb 0.00 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 2k2q s VAL 109 CO 0.00 0.13 0.27 0.27 0.00 0.00 0.00 175.10 175.76 2k2q s ILE 110 N 1.39 0.00 -0.22 2.22 -4.36 0.30 -0.52 121.20 120.01 2k2q s ILE 110 Ca 0.01 -1.93 -0.14 0.00 -0.26 0.00 0.00 60.65 58.33 2k2q s ILE 110 Cb -0.17 -2.51 0.07 0.00 1.25 0.00 0.00 42.46 41.10 2k2q s ILE 110 CO -0.01 0.00 0.55 -0.51 0.24 0.00 0.00 174.94 175.20 2k2q s ILE 111 N -3.63 -0.01 -0.65 8.37 2.07 -1.26 -1.84 121.20 124.25 2k2q s ILE 111 Ca 0.38 0.04 -0.20 0.00 -1.41 0.00 0.00 60.65 59.46 2k2q s ILE 111 Cb 0.03 -0.79 0.09 0.00 0.13 0.00 0.00 42.46 41.92 2k2q s ILE 111 CO 0.22 0.02 0.84 -0.94 -1.91 0.00 0.00 174.94 173.17 2k2q s SER 112 N 1.32 6.22 0.21 4.50 1.04 -0.10 -4.59 113.70 122.30 2k2q s SER 112 Ca -0.08 -1.33 0.06 0.00 0.48 0.00 0.00 55.95 55.08 2k2q s SER 112 Cb -0.06 -2.36 -0.04 0.00 0.10 0.00 0.00 66.02 63.66 2k2q s SER 112 CO -0.13 -1.24 0.14 0.00 0.98 0.00 0.00 173.24 172.99 2k2q s ALA 113 N 3.20 3.52 -1.51 5.32 0.00 -1.25 -0.70 121.76 130.34 2k2q s ALA 113 Ca 0.18 -1.34 -0.06 0.00 0.00 0.00 0.00 51.96 50.74 2k2q s ALA 113 Cb -0.19 -1.27 0.01 0.00 0.00 0.00 0.00 23.12 21.67 2k2q s ALA 113 CO 0.06 0.39 0.75 -0.89 0.00 0.00 0.00 175.76 176.07 2k2q n ILE 114 N -0.69 -2.22 -1.75 0.00 5.41 0.20 -4.82 119.36 115.49 2k2q n ILE 114 Ca -0.08 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.24 2k2q n ILE 114 Cb 0.56 -3.56 -0.03 0.00 -0.71 0.00 0.00 39.64 35.91 2k2q n ILE 114 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2k2q s GLN 115 N -5.88 3.75 0.58 0.38 -0.21 -1.19 -4.89 119.66 112.20 2k2q s GLN 115 Ca 0.38 2.22 -0.17 0.00 0.02 0.00 0.00 55.36 57.81 2k2q s GLN 115 Cb -0.17 -4.20 -0.04 0.00 1.00 0.00 0.00 33.01 29.60 2k2q s GLN 115 CO 0.47 -1.39 1.09 -1.25 -2.12 0.00 0.00 175.29 172.09 2k2q s PRO 116 N 5.10 3.24 -0.01 2.91 0.04 -1.26 -1.87 135.00 143.14 2k2q s PRO 116 Ca 0.88 1.41 -0.05 0.00 0.04 0.00 0.00 61.00 63.29 2k2q s PRO 116 Cb -0.36 -2.01 -0.20 0.00 0.04 0.00 0.00 34.50 31.97 2k2q s PRO 116 CO 0.36 -0.90 2.86 -0.35 0.04 0.00 0.00 177.00 179.01 2k2q n PRO 117 N -1.76 1.53 -3.87 0.56 -0.04 -1.26 -4.57 135.00 125.58 2k2q n PRO 117 Ca 0.10 -0.77 -0.11 0.00 -0.04 0.00 0.00 63.50 62.68 2k2q n PRO 117 Cb 0.52 -1.89 -0.12 0.00 -0.04 0.00 0.00 33.50 31.97 2k2q n PRO 117 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2k2q s HIS 118 N 1.50 -0.01 0.15 0.54 -3.43 -1.26 -4.94 115.29 107.85 2k2q s HIS 118 Ca 0.51 0.03 0.11 0.00 -0.80 0.00 0.00 55.06 54.91 2k2q s HIS 118 Cb 0.24 -0.02 -0.04 0.00 -1.43 0.00 0.00 32.58 31.33 2k2q s HIS 118 CO -0.00 -0.11 -0.26 0.42 -2.00 0.00 0.00 174.74 172.79 2k2q s ILE 119 N -0.46 2.28 -0.23 -5.38 1.01 -1.26 -4.43 121.20 112.73 2k2q s ILE 119 Ca -0.05 -1.84 -0.26 0.00 0.00 0.00 0.00 60.65 58.50 2k2q s ILE 119 Cb -0.03 -2.03 -0.00 0.00 0.01 0.00 0.00 42.46 40.40 2k2q s ILE 119 CO 0.00 0.02 0.88 -1.58 0.00 0.00 0.00 174.94 174.26 2k2q s GLN 120 N -2.25 4.22 -0.37 2.79 0.74 -1.26 -4.59 119.66 118.93 2k2q s GLN 120 Ca 0.16 1.05 -0.12 0.00 0.05 0.00 0.00 55.36 56.51 2k2q s GLN 120 Cb -0.09 -3.63 -0.08 0.00 1.10 0.00 0.00 33.01 30.30 2k2q s GLN 120 CO 0.07 -0.52 1.01 2.89 -0.55 0.00 0.00 175.29 178.19 2k2q n ARG 121 N 5.98 0.00 -4.58 1.67 1.85 -1.26 -4.89 116.66 115.42 2k2q n ARG 121 Ca 0.07 0.00 -0.27 0.00 -1.00 0.00 0.00 57.85 56.65 2k2q n ARG 121 Cb 0.47 -0.56 -0.10 0.00 -1.05 0.00 0.00 32.46 31.22 2k2q n ARG 121 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 2k2q s LYS 122 N 3.35 1.89 -0.46 2.89 -2.85 -1.26 -5.05 119.74 118.26 2k2q s LYS 122 Ca 0.51 -2.08 0.03 0.00 -1.00 0.00 0.00 55.97 53.42 2k2q s LYS 122 Cb -0.47 -1.38 0.14 0.00 -2.06 0.00 0.00 37.83 34.06 2k2q s LYS 122 CO 0.18 -0.13 0.25 -1.59 0.10 0.00 0.00 175.35 174.17 2k2q s LYS 123 N -3.78 1.42 0.04 1.78 0.00 -1.26 -4.81 119.74 113.13 2k2q s LYS 123 Ca 0.32 -2.15 0.08 0.00 0.00 0.00 0.00 55.97 54.23 2k2q s LYS 123 Cb 0.09 -2.48 -0.03 0.00 0.00 0.00 0.00 37.83 35.40 2k2q s LYS 123 CO 0.16 -1.17 -0.21 0.08 0.00 0.00 0.00 175.35 174.21 2k2q s VAL 124 N 0.19 2.57 -0.13 1.79 1.01 -1.26 -5.02 120.40 119.54 2k2q s VAL 124 Ca 0.18 -1.23 0.01 0.00 0.00 0.00 0.00 61.98 60.95 2k2q s VAL 124 Cb -0.23 -2.05 0.19 0.00 0.00 0.00 0.00 36.38 34.30 2k2q s VAL 124 CO -0.01 0.37 1.29 -1.54 0.00 0.00 0.00 175.10 175.21 2k2q n SER 125 N 1.69 3.30 0.08 3.32 3.41 -1.26 -4.47 113.62 119.70 2k2q n SER 125 Ca -0.16 -2.48 -0.03 0.00 -0.26 0.00 0.00 58.87 55.94 2k2q n SER 125 Cb 0.52 -0.61 -0.02 0.00 -0.26 0.00 0.00 64.21 63.84 2k2q n SER 125 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 2k2q h HIS 126 N 0.32 -0.20 -3.91 7.33 6.17 -2.01 -3.47 115.15 119.38 2k2q h HIS 126 Ca 0.18 -0.00 -0.16 0.00 0.71 0.00 0.00 60.37 61.10 2k2q h HIS 126 Cb 1.52 0.06 -0.21 0.00 2.52 0.00 0.00 27.41 31.31 2k2q h HIS 126 CO 0.47 -0.12 -0.66 -0.51 0.71 0.00 0.00 177.93 177.81 2k2q s LEU 127 N -5.20 2.13 0.00 0.26 1.43 -1.26 -5.01 118.68 111.02 2k2q s LEU 127 Ca -0.03 -0.47 0.06 0.00 -1.03 0.00 0.00 54.13 52.66 2k2q s LEU 127 Cb 0.00 0.21 0.26 0.00 0.03 0.00 0.00 46.19 46.69 2k2q s LEU 127 CO 0.09 -0.33 1.18 -0.81 0.23 0.00 0.00 176.35 176.71 2k2q n PRO 128 N 1.51 0.01 -0.03 1.29 -0.04 -1.26 -1.02 135.00 135.45 2k2q n PRO 128 Ca -0.23 0.38 0.02 0.00 -0.04 0.00 0.00 63.50 63.63 2k2q n PRO 128 Cb 0.55 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.55 2k2q n PRO 128 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2k2q n ASP 129 N -1.48 1.76 0.28 3.54 9.92 -1.26 -4.67 116.55 124.64 2k2q n ASP 129 Ca 0.02 -1.50 -0.13 0.00 -0.53 0.00 0.00 54.79 52.64 2k2q n ASP 129 Cb 0.07 -0.04 -0.07 0.00 -0.64 0.00 0.00 41.12 40.45 2k2q n ASP 129 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 2k2q h ASP 130 N 0.84 -0.64 0.20 -2.24 1.82 -1.45 -3.03 116.42 111.91 2k2q h ASP 130 Ca 0.00 -0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.62 2k2q h ASP 130 Cb 0.34 0.17 -0.00 0.00 0.68 0.00 0.00 39.33 40.52 2k2q h ASP 130 CO 0.00 -0.25 -0.00 0.06 -1.61 0.00 0.00 179.24 177.44 2k2q h GLN 131 N -1.13 0.00 0.29 0.28 3.07 -1.85 -1.11 115.11 114.65 2k2q h GLN 131 Ca -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.65 2k2q h GLN 131 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.19 2k2q h GLN 131 CO 0.13 0.00 -0.14 0.74 0.09 0.00 0.00 178.83 179.65 2k2q h PHE 132 N 0.00 -0.36 0.00 0.06 -1.00 -1.80 -2.79 116.94 111.05 2k2q h PHE 132 Ca -0.00 -0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.73 2k2q h PHE 132 Cb 0.11 0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.78 2k2q h PHE 132 CO 0.00 -0.22 -0.20 1.37 -1.61 0.00 0.00 178.31 177.65 2k2q h LEU 133 N -0.45 0.00 0.16 1.54 8.10 -1.45 -2.09 115.31 121.12 2k2q h LEU 133 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.95 2k2q h LEU 133 Cb 0.29 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.49 2k2q h LEU 133 CO 0.06 0.20 -0.33 -0.78 -4.11 0.00 0.00 178.44 173.49 2k2q h ASP 134 N 0.00 -0.96 0.05 0.17 3.58 -1.18 -2.68 116.42 115.41 2k2q h ASP 134 Ca -0.00 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.54 2k2q h ASP 134 Cb 0.52 0.34 0.00 0.00 1.72 0.00 0.00 39.33 41.92 2k2q h ASP 134 CO 0.03 -0.37 -0.05 0.00 -2.88 0.00 0.00 179.24 175.96 2k2q n HIS 135 N -4.32 0.00 0.08 0.28 1.44 -1.06 -3.84 115.22 107.80 2k2q n HIS 135 Ca -0.06 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.53 2k2q n HIS 135 Cb 0.27 -0.03 -0.06 0.00 0.12 0.00 0.00 29.99 30.29 2k2q n HIS 135 CO 0.00 0.00 0.00 0.97 -2.81 0.00 0.00 176.34 174.50 2k2q h ILE 136 N 1.83 1.47 -6.43 0.61 6.09 -1.06 -3.48 117.51 116.54 2k2q h ILE 136 Ca 0.00 -2.71 -0.35 0.00 -1.37 0.00 0.00 64.86 60.43 2k2q h ILE 136 Cb 0.44 2.59 -0.00 0.00 0.47 0.00 0.00 36.82 40.32 2k2q h ILE 136 CO 0.00 0.80 -0.73 2.30 -3.07 0.00 0.00 178.15 177.45 2k2q n ILE 137 N -3.64 -2.03 0.00 2.19 -5.35 -1.05 -4.89 119.36 104.59 2k2q n ILE 137 Ca -0.06 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 2k2q n ILE 137 Cb 0.88 -1.79 0.00 0.00 -1.74 0.00 0.00 39.64 36.99 2k2q n ILE 137 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k2q n GLN 138 N -2.39 0.00 -3.67 6.28 1.13 -1.26 -4.60 117.38 112.87 2k2q n GLN 138 Ca -0.18 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.65 2k2q n GLN 138 Cb 0.44 0.00 0.05 0.00 0.11 0.00 0.00 30.24 30.84 2k2q n GLN 138 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2k2q n LEU 139 N -2.31 -3.26 0.00 1.08 4.32 -1.26 -2.15 117.00 113.42 2k2q n LEU 139 Ca 0.00 -0.72 0.00 0.00 -0.02 0.00 0.00 56.01 55.27 2k2q n LEU 139 Cb 0.00 -2.81 0.00 0.00 -1.62 0.00 0.00 43.42 38.99 2k2q n LEU 139 CO 0.00 0.46 0.00 0.61 -1.22 0.00 0.00 177.39 177.24 2k2q n GLY 140 N -1.57 2.72 3.19 -0.72 0.00 -1.26 -4.86 105.19 102.69 2k2q n GLY 140 Ca -0.17 -0.68 0.05 0.00 0.00 0.00 0.00 46.02 45.21 2k2q n GLY 140 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k2q s GLY 141 N -0.43 0.00 -0.37 -0.02 0.00 -0.92 -5.11 107.32 100.47 2k2q s GLY 141 Ca 0.00 3.27 0.02 0.00 0.00 0.00 0.00 44.72 48.01 2k2q s GLY 141 CO 0.00 3.65 0.31 -0.29 0.00 0.00 0.00 173.10 176.77 2k2q s MET 142 N 2.57 0.62 -0.11 2.90 0.00 -1.20 -4.98 119.30 119.10 2k2q s MET 142 Ca -0.04 -1.13 -0.00 0.00 0.00 0.00 0.00 55.69 54.53 2k2q s MET 142 Cb -0.06 -0.99 0.09 0.00 0.00 0.00 0.00 34.83 33.87 2k2q s MET 142 CO -0.12 -1.21 1.80 -0.35 0.00 0.00 0.00 175.02 175.13 2k2q n PRO 143 N 4.07 1.29 -3.39 4.11 -0.04 -1.26 -4.50 135.00 135.28 2k2q n PRO 143 Ca 0.13 -0.58 -0.26 0.00 -0.04 0.00 0.00 63.50 62.74 2k2q n PRO 143 Cb 0.42 -1.23 -0.10 0.00 -0.04 0.00 0.00 33.50 32.55 2k2q n PRO 143 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k2q s ALA 144 N -0.67 0.91 -1.41 0.55 0.00 -1.26 -4.95 121.76 114.92 2k2q s ALA 144 Ca 0.11 -2.02 0.22 0.00 0.00 0.00 0.00 51.96 50.28 2k2q s ALA 144 Cb 0.09 -1.68 1.11 0.00 0.00 0.00 0.00 23.12 22.64 2k2q s ALA 144 CO 0.00 -2.05 1.72 0.39 0.00 0.00 0.00 175.76 175.83 2k2q n GLU 145 N 3.40 0.30 -0.14 0.00 1.02 -1.26 -2.62 120.64 121.34 2k2q n GLU 145 Ca 0.21 0.08 0.06 0.00 -0.02 0.00 0.00 57.16 57.49 2k2q n GLU 145 Cb 0.44 -1.50 0.18 0.00 -0.02 0.00 0.00 31.44 30.54 2k2q n GLU 145 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 2k2q n LEU 146 N -1.30 1.59 -0.31 -4.62 -0.00 -1.26 -4.14 117.00 106.96 2k2q n LEU 146 Ca 0.10 -0.78 -0.02 0.00 -0.00 0.00 0.00 56.01 55.32 2k2q n LEU 146 Cb 0.18 -0.19 0.10 0.00 -0.00 0.00 0.00 43.42 43.52 2k2q n LEU 146 CO 0.17 0.39 1.21 -0.37 -0.00 0.00 0.00 177.39 178.79 2k2q h VAL 147 N 1.79 1.14 -0.37 1.47 -1.51 -1.92 0.21 116.25 117.06 2k2q h VAL 147 Ca 0.00 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 65.11 2k2q h VAL 147 Cb 0.41 -0.01 0.00 0.00 -2.13 0.00 0.00 31.29 29.55 2k2q h VAL 147 CO 0.00 0.19 0.00 -0.62 -1.23 0.00 0.00 177.57 175.91 2k2q n GLU 148 N -4.55 3.21 0.00 5.19 -0.58 -1.26 -2.02 120.64 120.63 2k2q n GLU 148 Ca 0.10 -1.90 0.00 0.00 -0.42 0.00 0.00 57.16 54.94 2k2q n GLU 148 Cb 0.08 -1.88 0.00 0.00 -0.57 0.00 0.00 31.44 29.07 2k2q n GLU 148 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2k2q n ASN 149 N 0.46 3.86 -0.04 1.62 2.85 -0.29 -4.75 115.26 118.98 2k2q n ASN 149 Ca 0.17 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.59 2k2q n ASN 149 Cb 0.77 0.05 -0.04 0.00 1.24 0.00 0.00 39.78 41.80 2k2q n ASN 149 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 2k2q n LYS 150 N -2.39 0.61 0.11 1.20 -0.00 0.60 -4.62 118.16 113.67 2k2q n LYS 150 Ca 0.00 0.04 0.12 0.00 -0.00 0.00 0.00 58.31 58.47 2k2q n LYS 150 Cb 0.47 -1.15 0.47 0.00 -0.00 0.00 0.00 35.03 34.82 2k2q n LYS 150 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2k2q n GLU 151 N -2.64 0.20 -0.25 -1.58 1.02 -0.86 -3.16 120.64 113.37 2k2q n GLU 151 Ca -0.13 0.36 0.02 0.00 -0.02 0.00 0.00 57.16 57.39 2k2q n GLU 151 Cb 0.65 -1.83 0.14 0.00 -0.02 0.00 0.00 31.44 30.38 2k2q n GLU 151 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 2k2q h VAL 152 N 0.00 0.82 -0.49 2.62 3.04 -1.79 0.18 116.25 120.64 2k2q h VAL 152 Ca 0.00 -0.20 -0.14 0.00 -1.01 0.00 0.00 66.70 65.35 2k2q h VAL 152 Cb 0.45 0.19 -0.09 0.00 -2.01 0.00 0.00 31.29 29.83 2k2q h VAL 152 CO 0.00 0.11 0.10 1.15 -1.01 0.00 0.00 177.57 177.92 2k2q n MET 153 N -4.88 2.94 -0.62 4.17 0.00 -1.19 -2.94 117.12 114.60 2k2q n MET 153 Ca 0.12 -3.03 0.00 0.00 0.00 0.00 0.00 57.70 54.79 2k2q n MET 153 Cb 0.29 -1.99 0.00 0.00 0.00 0.00 0.00 33.22 31.52 2k2q n MET 153 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 2k2q n SER 154 N -0.55 0.08 0.00 3.17 7.64 -0.56 -4.48 113.62 118.92 2k2q n SER 154 Ca 0.33 -1.83 0.00 0.00 1.01 0.00 0.00 58.87 58.38 2k2q n SER 154 Cb 1.14 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 64.18 2k2q n SER 154 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2k2q n PHE 155 N 0.05 0.00 -2.06 1.43 3.72 -0.06 -4.08 117.46 116.47 2k2q n PHE 155 Ca -0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.38 2k2q n PHE 155 Cb 0.71 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.24 2k2q n PHE 155 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2k2q n PHE 156 N -0.44 -2.08 -2.01 1.38 -0.00 -1.15 -4.37 117.46 108.79 2k2q n PHE 156 Ca 0.00 1.08 -0.34 0.00 -0.00 0.00 0.00 57.45 58.19 2k2q n PHE 156 Cb 0.00 -2.71 0.02 0.00 -0.00 0.00 0.00 39.48 36.80 2k2q n PHE 156 CO 0.00 0.00 0.00 -0.48 -0.00 0.00 0.00 176.76 176.28 2k2q s LEU 157 N -0.55 3.57 0.60 -2.13 2.34 -1.26 -4.46 118.68 116.79 2k2q s LEU 157 Ca -0.07 2.08 0.31 0.00 0.06 0.00 0.00 54.13 56.51 2k2q s LEU 157 Cb 0.00 -4.57 1.83 0.00 -0.56 0.00 0.00 46.19 42.90 2k2q s LEU 157 CO 0.39 -1.42 2.22 1.55 -1.06 0.00 0.00 176.35 178.03 2k2q h PRO 158 N 0.62 0.00 -5.69 1.48 0.13 -1.80 -3.35 132.00 123.38 2k2q h PRO 158 Ca -0.48 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.97 2k2q h PRO 158 Cb 1.25 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.28 2k2q h PRO 158 CO 0.56 0.00 1.87 0.45 -0.23 0.00 0.00 178.00 180.64 2k2q s SER 159 N -5.95 6.80 0.52 1.44 0.15 -1.26 -4.77 113.70 110.62 2k2q s SER 159 Ca -0.05 -2.32 0.17 0.00 0.70 0.00 0.00 55.95 54.45 2k2q s SER 159 Cb 0.15 -2.54 1.27 0.00 -1.71 0.00 0.00 66.02 63.19 2k2q s SER 159 CO 0.53 -1.16 2.13 2.19 1.20 0.00 0.00 173.24 178.13 2k2q h PHE 160 N 8.01 0.02 0.00 3.44 -5.15 -1.99 -0.58 116.94 120.68 2k2q h PHE 160 Ca 0.36 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 58.13 2k2q h PHE 160 Cb 0.91 -0.01 -0.00 0.00 0.22 0.00 0.00 35.95 37.07 2k2q h PHE 160 CO 1.34 0.01 -0.02 0.07 -2.00 0.00 0.00 178.31 177.71 2k2q h ARG 161 N 0.02 0.00 0.04 6.09 0.11 -1.94 -1.59 114.38 117.12 2k2q h ARG 161 Ca 0.03 0.00 -0.37 0.00 0.10 0.00 0.00 59.98 59.74 2k2q h ARG 161 Cb 0.10 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.13 2k2q h ARG 161 CO -0.00 0.02 -2.26 0.43 0.10 0.00 0.00 179.97 178.26 2k2q n SER 162 N -3.15 1.82 0.39 0.08 7.64 -0.30 -3.77 113.62 116.33 2k2q n SER 162 Ca -0.01 0.02 -0.16 0.00 1.01 0.00 0.00 58.87 59.73 2k2q n SER 162 Cb 0.24 -0.44 -0.08 0.00 -1.01 0.00 0.00 64.21 62.92 2k2q n SER 162 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2k2q h ASP 163 N 0.03 -0.85 -0.88 6.43 3.58 -1.16 -2.30 116.42 121.26 2k2q h ASP 163 Ca -0.51 0.01 0.03 0.00 0.42 0.00 0.00 57.03 56.98 2k2q h ASP 163 Cb 1.98 0.22 -0.05 0.00 1.72 0.00 0.00 39.33 43.20 2k2q h ASP 163 CO -0.01 -0.50 0.58 1.88 -2.88 0.00 0.00 179.24 178.32 2k2q h TYR 164 N -1.20 1.08 0.00 0.28 0.05 -1.53 0.12 116.97 115.77 2k2q h TYR 164 Ca -0.10 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.70 2k2q h TYR 164 Cb 0.79 -0.36 0.00 0.00 1.01 0.00 0.00 36.73 38.16 2k2q h TYR 164 CO -0.00 0.64 0.00 -2.13 -1.05 0.00 0.00 178.16 175.62 2k2q n ARG 165 N -4.43 0.38 -0.08 4.88 0.63 -1.21 -0.19 116.66 116.65 2k2q n ARG 165 Ca 0.11 0.06 -0.09 0.00 -0.92 0.00 0.00 57.85 57.01 2k2q n ARG 165 Cb 0.08 -1.50 -0.10 0.00 0.45 0.00 0.00 32.46 31.39 2k2q n ARG 165 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2k2q n ALA 166 N -1.24 1.63 -0.09 5.13 0.00 0.14 -3.64 120.51 122.43 2k2q n ALA 166 Ca 0.12 -0.90 -0.18 0.00 0.00 0.00 0.00 53.44 52.48 2k2q n ALA 166 Cb 0.16 -0.01 -0.11 0.00 0.00 0.00 0.00 19.45 19.49 2k2q n ALA 166 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2k2q h LEU 167 N 0.00 0.00 0.01 0.00 -0.00 -0.70 -3.42 115.31 111.21 2k2q h LEU 167 Ca -0.40 -0.63 -0.26 0.00 -0.00 0.00 0.00 57.88 56.58 2k2q h LEU 167 Cb 1.80 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 42.43 2k2q h LEU 167 CO -0.01 1.27 -1.44 -0.62 -0.00 0.00 0.00 178.44 177.64 2k2q n GLU 168 N -4.51 0.58 -2.14 1.13 -0.58 0.74 -5.00 120.64 110.87 2k2q n GLU 168 Ca -0.23 0.53 -0.12 0.00 -0.42 0.00 0.00 57.16 56.92 2k2q n GLU 168 Cb 0.58 -1.72 -0.01 0.00 -0.57 0.00 0.00 31.44 29.72 2k2q n GLU 168 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2k2q n GLN 169 N -4.34 -0.91 0.00 3.49 6.02 -0.65 -4.89 117.38 116.09 2k2q n GLN 169 Ca -0.34 0.59 0.06 0.00 -0.01 0.00 0.00 57.00 57.30 2k2q n GLN 169 Cb 0.73 -4.73 -0.00 0.00 1.02 0.00 0.00 30.24 27.26 2k2q n GLN 169 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2k2q n PHE 170 N -3.89 0.00 -1.77 1.08 3.72 -1.26 -5.01 117.46 110.34 2k2q n PHE 170 Ca -0.14 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.85 2k2q n PHE 170 Cb 0.58 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.11 2k2q n PHE 170 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2k2q s GLU 171 N -1.47 4.12 0.49 -1.08 8.01 -1.26 -5.01 118.70 122.49 2k2q s GLU 171 Ca 0.09 2.58 -0.05 0.00 0.01 0.00 0.00 54.97 57.60 2k2q s GLU 171 Cb 0.09 -3.03 0.11 0.00 -4.31 0.00 0.00 34.13 26.99 2k2q s GLU 171 CO 0.28 -0.64 0.67 1.28 0.01 0.00 0.00 175.26 176.86 2k2q n LEU 172 N 2.30 0.00 0.23 1.80 4.77 -1.26 -4.96 117.00 119.88 2k2q n LEU 172 Ca 0.09 -0.99 0.12 0.00 -0.03 0.00 0.00 56.01 55.19 2k2q n LEU 172 Cb 0.37 -0.48 0.50 0.00 -2.33 0.00 0.00 43.42 41.48 2k2q n LEU 172 CO 0.64 -0.92 0.84 1.88 -1.33 0.00 0.00 177.39 178.50 2k2q h TYR 173 N -1.02 0.00 -3.30 -1.77 0.05 -2.05 -3.43 116.97 105.45 2k2q h TYR 173 Ca -0.22 0.00 -0.66 0.00 0.05 0.00 0.00 58.73 57.91 2k2q h TYR 173 Cb 0.68 0.00 -0.19 0.00 1.01 0.00 0.00 36.73 38.23 2k2q h TYR 173 CO 0.00 0.17 -0.83 0.16 -1.05 0.00 0.00 178.16 176.61 2k2q s ASP 174 N -6.08 3.39 -0.06 3.88 1.47 -1.26 -5.03 116.67 112.97 2k2q s ASP 174 Ca 0.01 -0.85 0.20 0.00 1.18 0.00 0.00 52.55 53.08 2k2q s ASP 174 Cb 0.10 -0.25 0.36 0.00 -0.34 0.00 0.00 42.92 42.79 2k2q s ASP 174 CO 0.62 0.12 1.15 0.00 0.68 0.00 0.00 175.17 177.74 2k2q n LEU 175 N 0.36 0.56 -4.80 2.11 -0.00 -1.26 -5.08 117.00 108.88 2k2q n LEU 175 Ca -0.13 -2.24 -0.37 0.00 -0.00 0.00 0.00 56.01 53.27 2k2q n LEU 175 Cb 0.56 0.09 -0.06 0.00 -0.00 0.00 0.00 43.42 44.00 2k2q n LEU 175 CO 0.28 0.86 0.50 0.00 -0.00 0.00 0.00 177.39 179.04 2k2q s ALA 176 N -0.64 3.34 -0.50 1.47 0.00 -1.26 -4.49 121.76 119.68 2k2q s ALA 176 Ca 0.25 0.30 -0.14 0.00 0.00 0.00 0.00 51.96 52.37 2k2q s ALA 176 Cb 0.30 -2.96 0.02 0.00 0.00 0.00 0.00 23.12 20.49 2k2q s ALA 176 CO -0.11 0.27 0.63 1.04 0.00 0.00 0.00 175.76 177.59 2k2q n GLN 177 N 0.71 -2.12 -3.70 0.00 6.02 -0.70 -4.97 117.38 112.63 2k2q n GLN 177 Ca -0.01 1.93 -0.21 0.00 -0.01 0.00 0.00 57.00 58.70 2k2q n GLN 177 Cb 0.51 -5.44 -0.18 0.00 1.02 0.00 0.00 30.24 26.15 2k2q n GLN 177 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2k2q s ILE 178 N -2.63 0.05 -0.28 5.09 1.01 -1.26 -5.00 121.20 118.17 2k2q s ILE 178 Ca 0.20 0.27 -0.13 0.00 0.00 0.00 0.00 60.65 60.99 2k2q s ILE 178 Cb -0.05 -0.31 0.10 0.00 0.01 0.00 0.00 42.46 42.20 2k2q s ILE 178 CO 0.77 0.16 0.65 0.00 0.00 0.00 0.00 174.94 176.53 2k2q s GLN 179 N 2.10 0.63 0.03 2.79 -2.07 -1.26 -4.00 119.66 117.88 2k2q s GLN 179 Ca 0.05 1.30 0.00 0.00 -1.82 0.00 0.00 55.36 54.89 2k2q s GLN 179 Cb -0.12 0.45 0.00 0.00 -1.09 0.00 0.00 33.01 32.24 2k2q s GLN 179 CO -0.04 -0.17 0.00 0.45 -1.32 0.00 0.00 175.29 174.20 2k2q n SER 180 N 4.82 -0.23 -1.90 12.60 2.88 -1.26 -4.80 113.62 125.73 2k2q n SER 180 Ca -0.16 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 2k2q n SER 180 Cb 0.54 0.43 0.00 0.00 -0.75 0.00 0.00 64.21 64.43 2k2q n SER 180 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2k2q n PRO 181 N -2.33 2.48 -3.81 -1.46 -0.04 -1.26 -4.77 135.00 123.81 2k2q n PRO 181 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 2k2q n PRO 181 Cb 0.00 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.29 2k2q n PRO 181 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2k2q s VAL 182 N 0.90 0.35 -0.09 0.52 1.01 0.24 -4.08 120.40 119.25 2k2q s VAL 182 Ca 0.00 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.05 2k2q s VAL 182 Cb 0.00 -0.50 0.05 0.00 0.00 0.00 0.00 36.38 35.93 2k2q s VAL 182 CO 0.00 0.25 0.22 -1.38 0.00 0.00 0.00 175.10 174.18 2k2q s HIS 183 N 1.83 -0.28 0.15 5.22 -3.43 -1.20 -0.54 115.29 117.04 2k2q s HIS 183 Ca 0.03 0.71 0.07 0.00 -0.80 0.00 0.00 55.06 55.06 2k2q s HIS 183 Cb -0.12 -0.01 -0.04 0.00 -1.43 0.00 0.00 32.58 30.97 2k2q s HIS 183 CO -0.04 -0.23 -0.02 0.08 -2.00 0.00 0.00 174.74 172.53 2k2q s VAL 184 N 1.39 3.68 -0.18 -5.38 1.01 -0.77 -4.04 120.40 116.11 2k2q s VAL 184 Ca -0.08 -1.34 -0.02 0.00 0.00 0.00 0.00 61.98 60.55 2k2q s VAL 184 Cb -0.11 -2.81 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 2k2q s VAL 184 CO -0.08 -0.04 -0.10 -0.36 0.00 0.00 0.00 175.10 174.52 2k2q s PHE 185 N -1.57 2.87 -0.19 5.22 0.08 -0.16 -0.93 117.98 123.30 2k2q s PHE 185 Ca 0.26 -0.95 -0.03 0.00 0.12 0.00 0.00 56.93 56.33 2k2q s PHE 185 Cb -0.10 -1.97 0.06 0.00 -0.57 0.00 0.00 43.02 40.44 2k2q s PHE 185 CO 0.18 -0.47 0.04 1.21 -0.10 0.00 0.00 175.22 176.08 2k2q s ASN 186 N 1.02 2.81 0.00 1.36 2.47 0.12 -0.81 114.94 121.91 2k2q s ASN 186 Ca -0.01 -0.78 0.00 0.00 0.42 0.00 0.00 52.86 52.49 2k2q s ASN 186 Cb -0.15 -0.55 0.00 0.00 -1.45 0.00 0.00 41.25 39.10 2k2q s ASN 186 CO -0.02 -0.31 0.00 0.61 -3.72 0.00 0.00 177.10 173.67 2k2q n GLY 187 N 5.08 0.47 4.33 1.21 0.00 -0.55 -0.62 105.19 115.11 2k2q n GLY 187 Ca -0.09 -1.47 -0.35 0.00 0.00 0.00 0.00 46.02 44.12 2k2q n GLY 187 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2k2q n LEU 188 N 0.00 -1.20 0.00 0.99 -0.00 -0.78 -4.26 117.00 111.74 2k2q n LEU 188 Ca 0.00 -1.20 0.07 0.00 -0.00 0.00 0.00 56.01 54.88 2k2q n LEU 188 Cb 0.00 -1.75 0.30 0.00 -0.00 0.00 0.00 43.42 41.97 2k2q n LEU 188 CO 0.00 0.32 0.71 0.47 -0.00 0.00 0.00 177.39 178.89 2k2q n ASP 189 N -2.74 0.00 0.00 1.45 9.92 -1.26 -3.37 116.55 120.55 2k2q n ASP 189 Ca -0.13 0.41 0.00 0.00 -0.53 0.00 0.00 54.79 54.54 2k2q n ASP 189 Cb 0.59 -0.46 0.00 0.00 -0.64 0.00 0.00 41.12 40.62 2k2q n ASP 189 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2k2q n ASP 190 N -1.46 0.00 -4.30 -2.24 8.00 -1.26 -1.54 116.55 113.75 2k2q n ASP 190 Ca 0.04 0.26 -0.44 0.00 0.71 0.00 0.00 54.79 55.36 2k2q n ASP 190 Cb 0.15 -0.33 -0.02 0.00 -0.02 0.00 0.00 41.12 40.90 2k2q n ASP 190 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2k2q s LYS 191 N -0.66 3.93 0.50 -1.24 2.20 -1.23 -4.66 119.74 118.58 2k2q s LYS 191 Ca 0.00 -3.08 0.31 0.00 -0.36 0.00 0.00 55.97 52.84 2k2q s LYS 191 Cb 0.00 -4.43 1.16 0.00 -1.51 0.00 0.00 37.83 33.05 2k2q s LYS 191 CO 0.00 -1.25 1.90 0.87 -0.36 0.00 0.00 175.35 176.51 2k2q h LYS 192 N 6.78 0.00 0.00 4.03 1.57 -1.82 -2.79 116.57 124.33 2k2q h LYS 192 Ca 0.16 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 2k2q h LYS 192 Cb 0.90 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.20 2k2q h LYS 192 CO 0.94 0.00 -0.06 0.00 -0.57 0.00 0.00 179.45 179.75 2k2q h ILE 194 N 0.00 1.25 0.00 0.00 1.08 -1.89 0.95 117.51 118.89 2k2q h ILE 194 Ca -0.00 -0.92 0.00 0.00 -0.39 0.00 0.00 64.86 63.55 2k2q h ILE 194 Cb 0.66 0.93 0.00 0.00 -3.07 0.00 0.00 36.82 35.33 2k2q h ILE 194 CO 0.01 0.32 0.00 0.08 -0.69 0.00 0.00 178.15 177.87 2k2q h ARG 195 N 0.65 0.00 0.01 2.37 -0.00 -1.73 -1.55 114.38 114.13 2k2q h ARG 195 Ca 0.14 0.00 -0.11 0.00 -0.00 0.00 0.00 59.98 60.01 2k2q h ARG 195 Cb 0.39 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.35 2k2q h ARG 195 CO 0.01 0.00 -0.60 0.22 -0.00 0.00 0.00 179.97 179.60 2k2q h ASP 196 N 0.00 0.05 0.78 0.08 3.58 -1.49 -2.57 116.42 116.85 2k2q h ASP 196 Ca 0.00 -0.81 -0.04 0.00 0.42 0.00 0.00 57.03 56.61 2k2q h ASP 196 Cb 0.57 -0.02 0.01 0.00 1.72 0.00 0.00 39.33 41.61 2k2q h ASP 196 CO 0.00 1.24 -0.38 0.00 -2.88 0.00 0.00 179.24 177.23 2k2q h ALA 197 N -0.18 -1.05 0.00 -0.78 0.00 -0.76 0.12 119.26 116.61 2k2q h ALA 197 Ca -0.16 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 2k2q h ALA 197 Cb 1.20 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 2k2q h ALA 197 CO -0.07 -1.02 -0.17 0.93 0.00 0.00 0.00 179.25 178.92 2k2q h GLU 198 N -1.20 0.00 0.18 0.00 4.39 -1.49 0.19 114.58 116.65 2k2q h GLU 198 Ca -0.11 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.28 2k2q h GLU 198 Cb 0.82 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.50 2k2q h GLU 198 CO 0.18 0.17 -1.34 0.78 -1.16 0.00 0.00 179.01 177.64 2k2q h GLY 199 N 1.71 0.57 0.69 -3.84 0.00 -1.34 -3.35 103.07 97.51 2k2q h GLY 199 Ca -0.00 -1.34 0.00 0.00 0.00 0.00 0.00 47.33 45.99 2k2q h GLY 199 CO 0.02 1.18 -1.19 0.79 0.00 0.00 0.00 176.54 177.34 2k2q n TRP 200 N -3.70 0.55 0.31 5.60 5.03 0.41 -4.03 117.44 121.61 2k2q n TRP 200 Ca -0.14 0.16 0.19 0.00 3.03 0.00 0.00 57.50 60.75 2k2q n TRP 200 Cb 1.04 -0.70 1.02 0.00 -1.03 0.00 0.00 31.31 31.64 2k2q n TRP 200 CO 0.00 0.00 0.00 1.57 -0.03 0.00 0.00 177.69 179.23 2k2q h LYS 201 N 0.00 0.00 -0.01 -0.99 5.09 -1.09 -0.38 116.57 119.19 2k2q h LYS 201 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 2k2q h LYS 201 Cb 0.91 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.24 2k2q h LYS 201 CO 0.00 0.02 -0.61 0.36 -2.09 0.00 0.00 179.45 177.13 2k2q n LYS 202 N -3.26 1.03 -3.90 0.07 2.85 -1.26 -4.97 118.16 108.73 2k2q n LYS 202 Ca -0.02 -0.65 -0.31 0.00 -1.05 0.00 0.00 58.31 56.28 2k2q n LYS 202 Cb 0.14 -1.44 -0.02 0.00 -0.65 0.00 0.00 35.03 33.07 2k2q n LYS 202 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 2k2q n TRP 203 N -0.50 -1.80 -3.85 5.58 7.02 -0.16 -1.72 117.44 122.01 2k2q n TRP 203 Ca 0.07 0.69 -0.34 0.00 -1.02 0.00 0.00 57.50 56.90 2k2q n TRP 203 Cb 0.40 -2.96 -0.12 0.00 -2.42 0.00 0.00 31.31 26.21 2k2q n TRP 203 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2k2q s ALA 204 N -3.14 3.29 -0.30 6.99 0.00 -1.26 -3.84 121.76 123.51 2k2q s ALA 204 Ca 0.62 -2.98 -0.10 0.00 0.00 0.00 0.00 51.96 49.50 2k2q s ALA 204 Cb -0.33 -2.34 -0.02 0.00 0.00 0.00 0.00 23.12 20.42 2k2q s ALA 204 CO 0.76 -1.94 0.15 0.15 0.00 0.00 0.00 175.76 174.88 2k2q s LYS 205 N 0.30 3.52 1.18 0.00 3.01 -1.26 -4.78 119.74 121.71 2k2q s LYS 205 Ca 0.14 -0.60 -0.13 0.00 -1.01 0.00 0.00 55.97 54.37 2k2q s LYS 205 Cb -0.22 -3.55 0.28 0.00 -1.01 0.00 0.00 37.83 33.33 2k2q s LYS 205 CO -0.03 -0.33 0.95 -3.47 0.51 0.00 0.00 175.35 172.97 2k2q n ASP 206 N 4.99 -1.80 0.20 2.83 -0.08 -1.26 -4.64 116.55 116.80 2k2q n ASP 206 Ca -0.14 -0.17 0.06 0.00 -1.51 0.00 0.00 54.79 53.03 2k2q n ASP 206 Cb 0.50 -1.24 0.43 0.00 2.34 0.00 0.00 41.12 43.15 2k2q n ASP 206 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 2k2q h ILE 207 N -2.67 1.00 -2.13 5.18 6.09 -1.86 -3.37 117.51 119.74 2k2q h ILE 207 Ca -0.61 -1.19 -0.43 0.00 -1.37 0.00 0.00 64.86 61.25 2k2q h ILE 207 Cb 1.34 1.69 -0.33 0.00 0.47 0.00 0.00 36.82 39.98 2k2q h ILE 207 CO 0.48 0.31 -0.73 -0.89 -3.07 0.00 0.00 178.15 174.25 2k2q s THR 208 N -4.01 -0.20 0.15 2.19 2.01 -1.26 -5.10 115.64 109.42 2k2q s THR 208 Ca -0.02 -1.20 0.09 0.00 0.31 0.00 0.00 61.69 60.87 2k2q s THR 208 Cb 0.13 -0.80 -0.04 0.00 0.01 0.00 0.00 72.50 71.80 2k2q s THR 208 CO 0.68 -0.70 -0.20 0.72 -0.69 0.00 0.00 174.62 174.43 2k2q s PHE 209 N 1.32 1.91 -0.07 4.92 -0.71 -1.26 -3.23 117.98 120.87 2k2q s PHE 209 Ca 0.17 -0.43 -0.16 0.00 -1.04 0.00 0.00 56.93 55.48 2k2q s PHE 209 Cb -0.17 -0.98 0.03 0.00 -1.21 0.00 0.00 43.02 40.68 2k2q s PHE 209 CO -0.02 0.32 0.37 -1.58 -1.34 0.00 0.00 175.22 172.97 2k2q s HIS 210 N -1.67 -0.31 -0.06 3.49 2.46 -1.26 -5.03 115.29 112.90 2k2q s HIS 210 Ca 0.14 0.62 0.03 0.00 0.47 0.00 0.00 55.06 56.32 2k2q s HIS 210 Cb -0.08 0.14 0.00 0.00 -0.13 0.00 0.00 32.58 32.52 2k2q s HIS 210 CO 0.06 -0.34 -0.16 1.14 -2.47 0.00 0.00 174.74 172.97 2k2q s GLN 211 N -0.75 1.98 -0.20 2.88 -2.07 -1.26 -0.99 119.66 119.26 2k2q s GLN 211 Ca -0.08 -0.57 -0.03 0.00 -1.82 0.00 0.00 55.36 52.85 2k2q s GLN 211 Cb -0.04 -1.63 0.06 0.00 -1.09 0.00 0.00 33.01 30.32 2k2q s GLN 211 CO 0.03 0.14 0.05 0.12 -1.32 0.00 0.00 175.29 174.31 2k2q s PHE 212 N 0.37 0.91 -0.04 9.60 5.36 0.01 -4.99 117.98 129.21 2k2q s PHE 212 Ca -0.11 -0.81 0.01 0.00 -0.96 0.00 0.00 56.93 55.05 2k2q s PHE 212 Cb -0.15 -1.00 0.02 0.00 -0.34 0.00 0.00 43.02 41.56 2k2q s PHE 212 CO 0.04 -0.61 -0.02 0.16 -1.46 0.00 0.00 175.22 173.33 2k2q s ASP 213 N 1.90 0.76 0.00 6.13 1.47 -1.26 -1.48 116.67 124.18 2k2q s ASP 213 Ca -0.00 -0.08 0.00 0.00 1.18 0.00 0.00 52.55 53.65 2k2q s ASP 213 Cb -0.17 -0.34 0.00 0.00 -0.34 0.00 0.00 42.92 42.07 2k2q s ASP 213 CO -0.09 -0.09 0.00 0.61 0.68 0.00 0.00 175.17 176.28 2k2q n GLY 214 N 4.17 0.72 3.15 2.12 0.00 -1.26 -4.95 105.19 109.14 2k2q n GLY 214 Ca -0.24 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.82 2k2q n GLY 214 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k2q s GLY 215 N 0.00 -0.86 -0.01 -0.02 0.00 -1.24 -4.82 107.32 100.37 2k2q s GLY 215 Ca 0.00 2.00 0.09 0.00 0.00 0.00 0.00 44.72 46.80 2k2q s GLY 215 CO 0.00 3.62 0.23 1.42 0.00 0.00 0.00 173.10 178.37 2k2q n HIS 216 N 5.41 0.00 -0.86 1.90 8.25 -0.59 -4.87 115.22 124.46 2k2q n HIS 216 Ca -0.01 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.12 2k2q n HIS 216 Cb 0.53 -0.17 0.12 0.00 1.12 0.00 0.00 29.99 31.60 2k2q n HIS 216 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2k2q n MET 217 N -1.70 -0.20 -0.32 -0.41 2.81 -1.26 -4.72 117.12 111.32 2k2q n MET 217 Ca -0.01 -0.01 0.18 0.00 -1.81 0.00 0.00 57.70 56.05 2k2q n MET 217 Cb 0.21 -2.00 0.42 0.00 -0.71 0.00 0.00 33.22 31.15 2k2q n MET 217 CO 0.00 0.00 0.00 0.74 1.51 0.00 0.00 175.97 178.22 2k2q h PHE 218 N -1.41 0.84 -0.24 2.03 0.04 -1.97 0.44 116.94 116.66 2k2q h PHE 218 Ca -0.44 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.35 2k2q h PHE 218 Cb 1.29 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 39.18 2k2q h PHE 218 CO 0.41 0.15 0.12 -0.07 -0.60 0.00 0.00 178.31 178.31 2k2q h LEU 219 N 0.56 0.29 -0.22 1.54 -0.00 -1.96 0.11 115.31 115.63 2k2q h LEU 219 Ca 0.57 -0.02 -0.17 0.00 -0.00 0.00 0.00 57.88 58.27 2k2q h LEU 219 Cb 1.17 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 41.74 2k2q h LEU 219 CO -0.33 0.25 -0.79 -0.07 -0.00 0.00 0.00 178.44 177.50 2k2q h LEU 220 N 0.33 0.00 -0.35 1.67 -0.00 -1.13 0.12 115.31 115.95 2k2q h LEU 220 Ca 0.09 0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.79 2k2q h LEU 220 Cb 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.68 2k2q h LEU 220 CO -0.01 0.79 -0.83 0.28 -0.00 0.00 0.00 178.44 178.66 2k2q h SER 221 N 0.00 0.12 0.17 -0.43 0.02 -1.06 -3.23 113.55 109.14 2k2q h SER 221 Ca -0.01 -0.09 -0.25 0.00 -0.84 0.00 0.00 61.79 60.59 2k2q h SER 221 Cb 1.50 -0.04 0.03 0.00 0.14 0.00 0.00 62.40 64.04 2k2q h SER 221 CO 0.10 0.89 -1.10 -0.61 -1.14 0.00 0.00 176.83 174.97 2k2q h GLN 222 N 0.05 0.44 -3.91 3.45 4.15 -0.71 -3.42 115.11 115.15 2k2q h GLN 222 Ca -0.02 -0.70 -0.62 0.00 0.77 0.00 0.00 58.65 58.07 2k2q h GLN 222 Cb 1.45 0.26 -0.40 0.00 0.21 0.00 0.00 27.48 29.00 2k2q h GLN 222 CO 0.12 1.33 -0.73 0.99 -1.93 0.00 0.00 178.83 178.61 2k2q s THR 223 N -2.60 1.64 0.21 2.39 2.01 0.41 -4.95 115.64 114.73 2k2q s THR 223 Ca -0.11 -2.08 0.29 0.00 0.31 0.00 0.00 61.69 60.09 2k2q s THR 223 Cb 0.03 -2.20 0.30 0.00 0.01 0.00 0.00 72.50 70.64 2k2q s THR 223 CO 0.89 -0.69 1.95 1.05 -0.69 0.00 0.00 174.62 177.13 2k2q h GLU 224 N 7.59 0.00 -0.13 4.92 4.11 -1.82 -3.07 114.58 126.19 2k2q h GLU 224 Ca -0.08 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.36 2k2q h GLU 224 Cb 1.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 2k2q h GLU 224 CO 0.51 0.13 0.07 0.93 0.07 0.00 0.00 179.01 180.72 2k2q h GLU 225 N 0.00 0.15 -0.90 1.06 5.08 -1.92 -1.62 114.58 116.43 2k2q h GLU 225 Ca -0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2k2q h GLU 225 Cb 0.56 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 2k2q h GLU 225 CO 0.02 0.10 0.51 0.28 -1.00 0.00 0.00 179.01 178.92 2k2q h VAL 226 N 0.16 1.25 -0.55 3.13 2.07 -1.91 0.11 116.25 120.51 2k2q h VAL 226 Ca 0.05 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 66.99 2k2q h VAL 226 Cb -0.00 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 29.76 2k2q h VAL 226 CO -0.03 0.28 0.35 0.00 0.02 0.00 0.00 177.57 178.19 2k2q h ALA 227 N 1.28 0.70 -0.31 1.67 0.00 -1.50 0.36 119.26 121.46 2k2q h ALA 227 Ca 0.32 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.06 2k2q h ALA 227 Cb -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2k2q h ALA 227 CO -0.06 0.10 -0.39 1.49 0.00 0.00 0.00 179.25 180.39 2k2q h GLU 228 N 0.70 0.74 -0.72 0.00 4.81 -0.83 -2.05 114.58 117.24 2k2q h GLU 228 Ca 0.21 -0.38 -0.04 0.00 -0.13 0.00 0.00 59.36 59.02 2k2q h GLU 228 Cb -0.04 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 2k2q h GLU 228 CO -0.07 1.00 0.31 0.00 -0.73 0.00 0.00 179.01 179.53 2k2q h ARG 229 N 0.61 1.06 -0.60 1.92 2.47 -0.49 0.09 114.38 119.45 2k2q h ARG 229 Ca 0.05 -0.18 -0.07 0.00 -1.26 0.00 0.00 59.98 58.52 2k2q h ARG 229 Cb 0.94 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 29.06 2k2q h ARG 229 CO 0.09 0.86 0.09 0.82 0.56 0.00 0.00 179.97 182.39 2k2q h ILE 230 N 1.02 1.26 -0.56 2.04 2.04 -0.81 -2.20 117.51 120.30 2k2q h ILE 230 Ca 0.24 -1.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.08 2k2q h ILE 230 Cb 0.18 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2k2q h ILE 230 CO -0.02 0.37 0.23 0.15 0.00 0.00 0.00 178.15 178.87 2k2q h PHE 231 N 0.89 0.85 -0.29 1.37 3.57 -0.93 -0.60 116.94 121.79 2k2q h PHE 231 Ca 0.18 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.62 2k2q h PHE 231 Cb 0.43 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 2k2q h PHE 231 CO 0.03 0.68 0.19 0.00 -2.23 0.00 0.00 178.31 176.98 2k2q h ALA 232 N 1.08 0.37 0.00 2.41 0.00 -0.76 -0.93 119.26 121.43 2k2q h ALA 232 Ca 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2k2q h ALA 232 Cb 0.19 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2k2q h ALA 232 CO -0.02 -0.14 -0.06 0.97 0.00 0.00 0.00 179.25 180.00 2k2q h ILE 233 N 0.39 0.12 -0.07 0.00 6.09 -1.27 -2.11 117.51 120.65 2k2q h ILE 233 Ca 0.11 -0.83 -0.12 0.00 -1.37 0.00 0.00 64.86 62.65 2k2q h ILE 233 Cb -0.02 1.74 0.01 0.00 0.47 0.00 0.00 36.82 39.02 2k2q h ILE 233 CO -0.02 0.06 -0.41 -0.07 -3.07 0.00 0.00 178.15 174.64 2k2q h LEU 234 N 0.00 0.48 -1.04 2.19 3.38 -0.49 -2.16 115.31 117.67 2k2q h LEU 234 Ca -0.00 -0.66 -0.10 0.00 0.09 0.00 0.00 57.88 57.21 2k2q h LEU 234 Cb 0.74 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2k2q h LEU 234 CO 0.01 1.06 -0.46 0.78 0.09 0.00 0.00 178.44 179.93 2k2q h ASN 235 N -0.06 0.05 -0.46 -0.43 2.35 -1.12 -2.54 115.58 113.36 2k2q h ASN 235 Ca -0.03 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2k2q h ASN 235 Cb 1.06 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.42 2k2q h ASN 235 CO 0.08 0.50 0.00 0.00 -1.65 0.00 0.00 177.43 176.36 2k2q n GLN 236 N -3.99 3.77 0.02 0.81 3.00 -0.80 -4.39 117.38 115.80 2k2q n GLN 236 Ca -0.02 -2.38 -0.12 0.00 -0.01 0.00 0.00 57.00 54.48 2k2q n GLN 236 Cb 0.48 -2.00 -0.09 0.00 0.00 0.00 0.00 30.24 28.63 2k2q n GLN 236 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2k2q h HIS 237 N 3.12 -0.12 0.09 1.08 2.76 -0.94 -3.37 115.15 117.78 2k2q h HIS 237 Ca 0.00 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2k2q h HIS 237 Cb 1.52 0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.52 2k2q h HIS 237 CO 0.78 0.40 -0.04 -1.00 -1.30 0.00 0.00 177.93 176.77 2k2q h PRO 238 N -0.74 -0.12 -5.59 5.26 0.13 -1.80 -3.46 132.00 125.69 2k2q h PRO 238 Ca -0.01 0.01 -0.51 0.00 -0.87 0.00 0.00 66.00 64.61 2k2q h PRO 238 Cb 0.57 0.03 -0.27 0.00 0.13 0.00 0.00 31.00 31.45 2k2q h PRO 238 CO 0.02 0.37 -0.82 0.96 -0.23 0.00 0.00 178.00 178.31 2k2q s ILE 239 N -3.83 1.31 0.68 -3.56 -4.36 -1.26 -5.15 121.20 105.04 2k2q s ILE 239 Ca -0.15 -0.90 -0.05 0.00 -0.26 0.00 0.00 60.65 59.29 2k2q s ILE 239 Cb 0.01 -1.13 0.06 0.00 1.25 0.00 0.00 42.46 42.64 2k2q s ILE 239 CO 0.59 0.21 0.98 0.27 0.24 0.00 0.00 174.94 177.23 2k2q s ILE 240 N -0.62 2.34 0.04 8.37 -4.36 -1.26 -4.28 121.20 121.42 2k2q s ILE 240 Ca 0.05 -0.33 0.04 0.00 -0.26 0.00 0.00 60.65 60.14 2k2q s ILE 240 Cb -0.07 -3.00 -0.04 0.00 1.25 0.00 0.00 42.46 40.60 2k2q s ILE 240 CO 0.01 -0.00 -0.04 -1.10 0.24 0.00 0.00 174.94 174.04 2k2q s GLN 241 N -5.17 2.54 0.00 0.37 -1.52 -1.26 -5.08 119.66 109.54 2k2q s GLN 241 Ca 0.60 -0.77 0.00 0.00 -1.95 0.00 0.00 55.36 53.24 2k2q s GLN 241 Cb -0.11 -2.52 0.00 0.00 -0.22 0.00 0.00 33.01 30.16 2k2q s GLN 241 CO 0.44 0.58 0.34 -0.35 -0.25 0.00 0.00 175.29 176.04