#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qkr s PHE 16 N 0.00 3.06 -0.22 -0.72 0.40 -0.86 -4.92 117.98 114.72 2qkr s PHE 16 Ca 0.00 -0.25 -0.29 0.00 -0.60 0.00 0.00 56.93 55.79 2qkr s PHE 16 Cb 0.00 -1.97 0.01 0.00 0.51 0.00 0.00 43.02 41.56 2qkr s PHE 16 CO 0.00 -0.01 1.05 -0.65 0.70 0.00 0.00 175.22 176.31 2qkr s GLN 17 N 0.36 4.27 0.00 0.44 -1.52 -1.26 -2.14 119.66 119.80 2qkr s GLN 17 Ca -0.03 1.38 0.00 0.00 -1.95 0.00 0.00 55.36 54.76 2qkr s GLN 17 Cb -0.14 -3.64 0.00 0.00 -0.22 0.00 0.00 33.01 29.01 2qkr s GLN 17 CO 0.03 -0.61 0.00 0.41 -0.25 0.00 0.00 175.29 174.86 2qkr n GLY 18 N 3.32 0.35 0.03 3.09 0.00 0.05 -4.63 105.19 107.40 2qkr n GLY 18 Ca 0.12 -1.84 0.11 0.00 0.00 0.00 0.00 46.02 44.41 2qkr n GLY 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qkr n LEU 19 N 0.00 0.61 -0.06 0.99 4.77 -1.20 -4.50 117.00 117.60 2qkr n LEU 19 Ca 0.00 -0.05 -0.07 0.00 -0.03 0.00 0.00 56.01 55.86 2qkr n LEU 19 Cb 0.00 -0.09 -0.07 0.00 -2.33 0.00 0.00 43.42 40.94 2qkr n LEU 19 CO 0.00 0.05 -0.86 0.23 -1.33 0.00 0.00 177.39 175.48 2qkr n MET 20 N -1.95 1.29 -3.85 3.23 2.81 -1.26 -5.09 117.12 112.30 2qkr n MET 20 Ca 0.02 0.04 -0.07 0.00 -1.81 0.00 0.00 57.70 55.88 2qkr n MET 20 Cb 0.44 -1.25 -0.02 0.00 -0.71 0.00 0.00 33.22 31.68 2qkr n MET 20 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2qkr s GLU 21 N -2.24 1.72 -0.04 0.03 0.41 -1.26 -5.15 118.70 112.16 2qkr s GLU 21 Ca -0.11 -0.95 -0.05 0.00 -0.41 0.00 0.00 54.97 53.44 2qkr s GLU 21 Cb 0.04 0.58 -0.04 0.00 -1.78 0.00 0.00 34.13 32.93 2qkr s GLU 21 CO 0.34 -0.79 0.20 0.15 -0.49 0.00 0.00 175.26 174.67 2qkr s LYS 22 N -3.83 3.49 0.24 1.61 1.02 -1.26 -0.77 119.74 120.24 2qkr s LYS 22 Ca 0.11 -0.18 0.04 0.00 0.02 0.00 0.00 55.97 55.96 2qkr s LYS 22 Cb -0.05 -3.13 -0.05 0.00 -0.52 0.00 0.00 37.83 34.08 2qkr s LYS 22 CO 0.06 0.70 -0.01 0.71 -0.92 0.00 0.00 175.35 175.90 2qkr s TYR 23 N -1.22 1.63 0.00 3.18 2.02 -0.91 -3.24 117.35 118.82 2qkr s TYR 23 Ca 0.23 -0.89 0.00 0.00 -0.37 0.00 0.00 57.07 56.04 2qkr s TYR 23 Cb -0.13 -0.95 0.00 0.00 -0.40 0.00 0.00 41.96 40.48 2qkr s TYR 23 CO 0.13 0.01 0.00 -0.11 -1.57 0.00 0.00 175.55 174.01 2qkr n LEU 26 N -0.45 0.00 -4.92 -1.29 0.00 -1.24 -2.02 117.00 107.07 2qkr n LEU 26 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 56.01 55.70 2qkr n LEU 26 Cb 0.64 0.00 0.02 0.00 0.00 0.00 0.00 43.42 44.08 2qkr n LEU 26 CO 0.37 0.00 0.48 -1.61 0.00 0.00 0.00 177.39 176.64 2qkr s GLU 27 N 0.00 3.02 -0.24 1.96 2.02 -1.18 -4.83 118.70 119.46 2qkr s GLU 27 Ca 0.00 -0.05 -0.09 0.00 0.02 0.00 0.00 54.97 54.85 2qkr s GLU 27 Cb 0.00 -2.33 -0.04 0.00 0.10 0.00 0.00 34.13 31.86 2qkr s GLU 27 CO 0.00 -0.57 0.12 -1.59 0.02 0.00 0.00 175.26 173.23 2qkr s LYS 28 N -4.89 3.91 -0.04 1.61 0.00 -1.26 -0.07 119.74 118.99 2qkr s LYS 28 Ca 0.52 -0.36 0.13 0.00 0.00 0.00 0.00 55.97 56.27 2qkr s LYS 28 Cb -0.10 -3.42 0.24 0.00 0.00 0.00 0.00 37.83 34.55 2qkr s LYS 28 CO 0.44 0.00 1.11 1.33 0.00 0.00 0.00 175.35 178.23 2qkr n VAL 29 N 4.42 0.46 -2.61 1.79 0.24 -0.64 -4.95 118.33 117.02 2qkr n VAL 29 Ca -0.16 -1.00 -0.23 0.00 -2.04 0.00 0.00 64.34 60.92 2qkr n VAL 29 Cb 0.52 0.53 0.08 0.00 -1.47 0.00 0.00 33.84 33.50 2qkr n VAL 29 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2qkr s GLY 30 N -1.84 1.78 0.18 7.63 0.00 -0.01 -4.72 107.32 110.34 2qkr s GLY 30 Ca 0.21 -1.58 -0.24 0.00 0.00 0.00 0.00 44.72 43.11 2qkr s GLY 30 CO -0.07 -1.13 0.93 -1.83 0.00 0.00 0.00 173.10 171.00 2qkr s GLU 31 N -4.99 1.32 0.00 2.90 1.03 -1.26 -4.78 118.70 112.92 2qkr s GLU 31 Ca 0.63 -0.74 0.00 0.00 0.03 0.00 0.00 54.97 54.88 2qkr s GLU 31 Cb -0.07 0.44 0.00 0.00 -0.80 0.00 0.00 34.13 33.70 2qkr s GLU 31 CO 0.42 -0.61 0.00 0.41 -1.33 0.00 0.00 175.26 174.15 2qkr n GLY 32 N -0.49 0.82 2.82 -3.83 0.00 -1.26 -4.67 105.19 98.59 2qkr n GLY 32 Ca -0.06 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 2qkr n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qkr s VAL 36 N 0.00 -0.45 -0.20 1.61 1.01 -1.24 -5.21 120.40 115.92 2qkr s VAL 36 Ca 0.00 -0.65 -0.09 0.00 0.00 0.00 0.00 61.98 61.24 2qkr s VAL 36 Cb 0.00 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 2qkr s VAL 36 CO 0.00 -0.46 0.10 -0.69 0.00 0.00 0.00 175.10 174.05 2qkr s VAL 37 N 1.95 5.11 0.40 2.92 1.01 -1.26 -1.05 120.40 129.48 2qkr s VAL 37 Ca 0.13 0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.27 2qkr s VAL 37 Cb -0.14 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 2qkr s VAL 37 CO -0.18 0.44 0.31 -0.31 0.00 0.00 0.00 175.10 175.36 2qkr s TYR 38 N 0.43 2.71 0.11 5.22 4.12 -0.00 -0.83 117.35 129.11 2qkr s TYR 38 Ca 0.06 -0.48 0.02 0.00 0.02 0.00 0.00 57.07 56.68 2qkr s TYR 38 Cb -0.12 -2.04 -0.04 0.00 -1.52 0.00 0.00 41.96 38.24 2qkr s TYR 38 CO -0.01 0.02 0.24 0.21 0.02 0.00 0.00 175.55 176.04 2qkr s LYS 39 N -4.04 3.41 0.15 -0.62 2.20 0.89 -2.19 119.74 119.54 2qkr s LYS 39 Ca 0.45 -0.54 -0.11 0.00 -0.36 0.00 0.00 55.97 55.40 2qkr s LYS 39 Cb -0.02 -2.98 0.01 0.00 -1.51 0.00 0.00 37.83 33.33 2qkr s LYS 39 CO 0.26 0.56 0.32 0.00 -0.36 0.00 0.00 175.35 176.13 2qkr s ALA 40 N -1.64 -0.34 -0.11 3.13 0.00 -0.80 -3.10 121.76 118.90 2qkr s ALA 40 Ca 0.34 -0.59 0.04 0.00 0.00 0.00 0.00 51.96 51.75 2qkr s ALA 40 Cb -0.12 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.75 2qkr s ALA 40 CO 0.28 -0.64 -0.23 0.21 0.00 0.00 0.00 175.76 175.38 2qkr s LYS 41 N -3.90 3.02 0.94 0.00 2.20 -1.26 -1.92 119.74 118.80 2qkr s LYS 41 Ca 0.11 -0.86 -0.12 0.00 -0.36 0.00 0.00 55.97 54.74 2qkr s LYS 41 Cb 0.03 -2.32 0.15 0.00 -1.51 0.00 0.00 37.83 34.18 2qkr s LYS 41 CO -0.05 0.12 1.09 0.34 -0.36 0.00 0.00 175.35 176.50 2qkr s ASP 42 N 0.48 3.16 0.00 1.43 2.15 0.21 -4.28 116.67 119.83 2qkr s ASP 42 Ca -0.15 1.33 0.18 0.00 0.43 0.00 0.00 52.55 54.34 2qkr s ASP 42 Cb -0.17 -2.01 0.82 0.00 -0.30 0.00 0.00 42.92 41.26 2qkr s ASP 42 CO 0.06 -2.82 1.57 -1.20 -0.17 0.00 0.00 175.17 172.61 2qkr n SER 43 N -3.98 0.00 0.00 -0.34 7.64 -1.20 -4.46 113.62 111.28 2qkr n SER 43 Ca 0.06 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.29 2qkr n SER 43 Cb 0.56 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 2qkr n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qkr n GLN 44 N -1.43 0.00 0.00 1.43 6.02 -1.26 -5.13 117.38 117.00 2qkr n GLN 44 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 2qkr n GLN 44 Cb 0.19 -0.75 0.00 0.00 1.02 0.00 0.00 30.24 30.70 2qkr n GLN 44 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2qkr n ARG 46 N -2.52 0.00 -3.00 -1.09 1.74 -1.26 -5.15 116.66 105.38 2qkr n ARG 46 Ca 0.00 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 2qkr n ARG 46 Cb 0.41 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.81 2qkr n ARG 46 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2qkr s ILE 47 N -0.87 4.81 0.39 0.55 1.09 -1.26 -0.62 121.20 125.29 2qkr s ILE 47 Ca 0.00 1.59 0.04 0.00 -1.10 0.00 0.00 60.65 61.19 2qkr s ILE 47 Cb 0.00 -4.10 -0.02 0.00 -1.06 0.00 0.00 42.46 37.28 2qkr s ILE 47 CO 0.00 0.34 0.16 1.33 -0.10 0.00 0.00 174.94 176.67 2qkr n VAL 48 N 3.03 0.00 -4.57 2.92 0.24 -0.81 -4.06 118.33 115.08 2qkr n VAL 48 Ca -0.02 -2.32 -0.22 0.00 -2.04 0.00 0.00 64.34 59.74 2qkr n VAL 48 Cb 0.50 0.87 -0.15 0.00 -1.47 0.00 0.00 33.84 33.60 2qkr n VAL 48 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qkr s ALA 49 N -3.11 1.20 -0.25 2.33 0.00 0.51 -1.90 121.76 120.55 2qkr s ALA 49 Ca 0.22 -0.69 -0.00 0.00 0.00 0.00 0.00 51.96 51.49 2qkr s ALA 49 Cb 0.01 -0.27 0.04 0.00 0.00 0.00 0.00 23.12 22.90 2qkr s ALA 49 CO 0.16 0.27 -0.08 -0.51 0.00 0.00 0.00 175.76 175.61 2qkr s LEU 50 N -0.60 3.23 -0.33 0.00 1.43 -0.93 -0.15 118.68 121.32 2qkr s LEU 50 Ca 0.04 -1.01 -0.13 0.00 -1.03 0.00 0.00 54.13 52.01 2qkr s LEU 50 Cb -0.06 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 2qkr s LEU 50 CO 0.00 -0.14 0.24 -0.75 0.23 0.00 0.00 176.35 175.92 2qkr s LYS 51 N 1.27 3.55 0.21 1.70 2.20 -0.08 -0.82 119.74 127.77 2qkr s LYS 51 Ca -0.02 -0.60 0.00 0.00 -0.36 0.00 0.00 55.97 54.99 2qkr s LYS 51 Cb -0.17 -3.79 -0.04 0.00 -1.51 0.00 0.00 37.83 32.32 2qkr s LYS 51 CO -0.05 -0.41 0.38 1.03 -0.36 0.00 0.00 175.35 175.94 2qkr s ARG 52 N 1.73 3.50 0.00 4.03 0.52 -0.22 -0.74 118.95 127.77 2qkr s ARG 52 Ca 0.06 -0.41 0.00 0.00 -0.52 0.00 0.00 55.73 54.86 2qkr s ARG 52 Cb -0.17 -2.85 0.00 0.00 0.52 0.00 0.00 34.95 32.45 2qkr s ARG 52 CO 0.11 0.40 0.00 -0.89 0.02 0.00 0.00 175.30 174.94 2qkr n ILE 53 N -0.78 0.00 0.00 1.52 -0.00 -0.95 -3.72 119.36 115.43 2qkr n ILE 53 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.70 2qkr n ILE 53 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.18 2qkr n ILE 53 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 2qkr n SER 64 N 0.00 0.00 0.00 4.38 3.41 -1.26 -4.21 113.62 115.94 2qkr n SER 64 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.70 2qkr n SER 64 Cb 0.00 0.00 0.44 0.00 -0.26 0.00 0.00 64.21 64.39 2qkr n SER 64 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2qkr n THR 65 N 0.00 0.51 0.03 6.66 -2.24 -1.26 -2.63 114.28 115.35 2qkr n THR 65 Ca 0.00 0.13 -0.21 0.00 -2.27 0.00 0.00 64.05 61.70 2qkr n THR 65 Cb 0.00 -0.83 -0.14 0.00 -2.10 0.00 0.00 70.33 67.26 2qkr n THR 65 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qkr h ALA 66 N 2.81 0.05 -0.50 6.98 0.00 -1.98 -2.45 119.26 124.17 2qkr h ALA 66 Ca 0.00 -0.90 -0.05 0.00 0.00 0.00 0.00 54.91 53.95 2qkr h ALA 66 Cb 0.19 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2qkr h ALA 66 CO 0.00 0.61 0.10 0.82 0.00 0.00 0.00 179.25 180.79 2qkr h ILE 67 N -0.34 1.24 -0.26 0.00 5.03 -1.98 -2.06 117.51 119.14 2qkr h ILE 67 Ca -0.23 -0.88 0.05 0.00 -0.12 0.00 0.00 64.86 63.68 2qkr h ILE 67 Cb 1.71 0.86 -0.08 0.00 -3.03 0.00 0.00 36.82 36.28 2qkr h ILE 67 CO 0.10 0.32 -0.43 -0.09 -0.68 0.00 0.00 178.15 177.37 2qkr h ARG 68 N 0.69 -0.40 -0.70 2.37 2.43 -1.63 -1.96 114.38 115.19 2qkr h ARG 68 Ca 0.15 0.03 0.15 0.00 -0.81 0.00 0.00 59.98 59.50 2qkr h ARG 68 Cb 0.36 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 2qkr h ARG 68 CO 0.00 -0.27 0.47 1.49 -1.51 0.00 0.00 179.97 180.16 2qkr h GLU 69 N -0.42 0.31 -0.04 0.20 4.81 -1.10 -0.70 114.58 117.64 2qkr h GLU 69 Ca 0.10 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 2qkr h GLU 69 Cb 0.61 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 2qkr h GLU 69 CO -0.48 0.20 -0.06 0.82 -0.73 0.00 0.00 179.01 178.76 2qkr h ILE 70 N 0.31 1.40 -0.36 2.32 2.04 -0.67 -1.24 117.51 121.32 2qkr h ILE 70 Ca 0.34 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 2qkr h ILE 70 Cb 0.88 2.17 -0.02 0.00 -0.74 0.00 0.00 36.82 39.11 2qkr h ILE 70 CO -0.09 0.35 0.17 0.77 0.00 0.00 0.00 178.15 179.35 2qkr h SER 71 N -0.37 0.47 -0.19 1.72 4.64 -0.65 0.06 113.55 119.24 2qkr h SER 71 Ca 0.00 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.19 2qkr h SER 71 Cb 0.60 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 2qkr h SER 71 CO 0.01 0.47 0.10 -0.07 -0.87 0.00 0.00 176.83 176.47 2qkr h LEU 72 N 0.44 0.24 -1.18 5.97 3.38 -1.26 -2.98 115.31 119.92 2qkr h LEU 72 Ca 0.12 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2qkr h LEU 72 Cb 0.13 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2qkr h LEU 72 CO -0.01 0.27 -0.31 -0.07 0.09 0.00 0.00 178.44 178.40 2qkr h LEU 73 N 0.19 0.17 -1.78 1.67 3.38 -0.90 -0.96 115.31 117.07 2qkr h LEU 73 Ca 0.07 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2qkr h LEU 73 Cb 0.09 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2qkr h LEU 73 CO -0.01 0.48 -0.15 0.11 0.09 0.00 0.00 178.44 178.96 2qkr h LYS 74 N 0.15 0.00 0.00 1.13 6.56 -0.96 -1.67 116.57 121.78 2qkr h LYS 74 Ca 0.02 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 2qkr h LYS 74 Cb 0.63 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.29 2qkr h LYS 74 CO 0.05 0.15 0.00 -1.91 -2.06 0.00 0.00 179.45 175.67 2qkr n GLU 75 N -4.16 0.24 -3.89 3.15 4.07 -0.39 -4.59 120.64 115.08 2qkr n GLU 75 Ca -0.02 0.23 -0.31 0.00 -0.06 0.00 0.00 57.16 57.00 2qkr n GLU 75 Cb 0.22 -1.80 -0.12 0.00 -0.06 0.00 0.00 31.44 29.68 2qkr n GLU 75 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2qkr s LEU 76 N -4.46 4.65 -0.42 4.31 1.43 -0.63 -5.04 118.68 118.53 2qkr s LEU 76 Ca 0.10 -3.28 -0.11 0.00 -1.03 0.00 0.00 54.13 49.81 2qkr s LEU 76 Cb 0.12 -1.68 0.06 0.00 0.03 0.00 0.00 46.19 44.72 2qkr s LEU 76 CO 0.57 -0.20 0.27 -1.00 0.23 0.00 0.00 176.35 176.21 2qkr s HIS 77 N -0.66 3.29 -0.26 0.29 3.76 -1.26 -4.92 115.29 115.53 2qkr s HIS 77 Ca 0.20 -1.26 -0.24 0.00 -0.15 0.00 0.00 55.06 53.61 2qkr s HIS 77 Cb -0.18 -2.84 0.07 0.00 1.11 0.00 0.00 32.58 30.74 2qkr s HIS 77 CO -0.06 -0.78 0.70 -1.58 -0.85 0.00 0.00 174.74 172.17 2qkr s HIS 78 N 1.50 -0.77 0.65 1.40 5.04 -1.26 -5.03 115.29 116.82 2qkr s HIS 78 Ca 0.03 1.88 0.33 0.00 -1.54 0.00 0.00 55.06 55.76 2qkr s HIS 78 Cb -0.22 0.26 1.81 0.00 0.04 0.00 0.00 32.58 34.47 2qkr s HIS 78 CO 0.04 -0.37 2.04 -1.35 -2.34 0.00 0.00 174.74 172.76 2qkr h PRO 79 N 5.02 0.00 -0.45 2.88 0.11 -1.98 -1.23 132.00 136.36 2qkr h PRO 79 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2qkr h PRO 79 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2qkr h PRO 79 CO 0.06 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.94 2qkr n ASN 80 N -3.11 3.45 -4.09 -2.05 4.13 -1.26 -4.80 115.26 107.53 2qkr n ASN 80 Ca -0.01 -2.17 -0.32 0.00 1.68 0.00 0.00 54.58 53.76 2qkr n ASN 80 Cb 0.32 -0.36 -0.16 0.00 -1.54 0.00 0.00 39.78 38.04 2qkr n ASN 80 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2qkr s ILE 81 N -1.31 1.85 -0.05 2.41 1.01 -0.46 -0.21 121.20 124.43 2qkr s ILE 81 Ca 0.34 -0.82 -0.36 0.00 0.00 0.00 0.00 60.65 59.81 2qkr s ILE 81 Cb 0.20 -1.68 -0.14 0.00 0.01 0.00 0.00 42.46 40.84 2qkr s ILE 81 CO 0.19 0.51 1.65 0.55 0.00 0.00 0.00 174.94 177.84 2qkr n VAL 82 N 4.56 0.25 -3.38 2.92 3.14 -0.69 -4.51 118.33 120.62 2qkr n VAL 82 Ca -0.19 -0.04 -0.38 0.00 -2.96 0.00 0.00 64.34 60.76 2qkr n VAL 82 Cb 0.50 -1.38 -0.06 0.00 -1.06 0.00 0.00 33.84 31.85 2qkr n VAL 82 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2qkr s SER 83 N 2.42 6.93 -0.21 6.55 1.04 -1.26 -4.96 113.70 124.21 2qkr s SER 83 Ca 0.89 1.11 -0.17 0.00 0.48 0.00 0.00 55.95 58.26 2qkr s SER 83 Cb -0.86 -2.30 -0.03 0.00 0.10 0.00 0.00 66.02 62.93 2qkr s SER 83 CO 0.51 0.27 0.47 -0.22 0.98 0.00 0.00 173.24 175.25 2qkr s LEU 84 N -1.24 4.14 -0.09 2.42 2.96 -1.26 -2.16 118.68 123.45 2qkr s LEU 84 Ca 0.28 0.59 0.14 0.00 -0.22 0.00 0.00 54.13 54.92 2qkr s LEU 84 Cb -0.18 -2.62 -0.21 0.00 0.50 0.00 0.00 46.19 43.68 2qkr s LEU 84 CO 0.17 -0.15 0.18 2.30 -1.32 0.00 0.00 176.35 177.53 2qkr n ILE 85 N 4.54 0.54 -3.86 6.68 -5.35 -0.30 -5.00 119.36 116.60 2qkr n ILE 85 Ca -0.06 -0.49 -0.07 0.00 -0.27 0.00 0.00 62.75 61.85 2qkr n ILE 85 Cb 0.51 -0.27 -0.02 0.00 -1.74 0.00 0.00 39.64 38.12 2qkr n ILE 85 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2qkr s ASP 86 N -4.32 -0.24 -0.02 7.28 3.68 -1.17 -4.90 116.67 116.98 2qkr s ASP 86 Ca -0.06 -0.64 -0.02 0.00 2.13 0.00 0.00 52.55 53.95 2qkr s ASP 86 Cb 0.07 0.73 0.00 0.00 -1.45 0.00 0.00 42.92 42.27 2qkr s ASP 86 CO 0.61 -1.36 0.06 -0.69 0.13 0.00 0.00 175.17 173.93 2qkr s VAL 87 N -3.86 0.01 -0.15 1.11 1.01 -1.26 -1.21 120.40 116.04 2qkr s VAL 87 Ca 0.12 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.00 2qkr s VAL 87 Cb -0.06 -0.13 0.02 0.00 0.00 0.00 0.00 36.38 36.21 2qkr s VAL 87 CO 0.07 -0.06 -0.18 -0.63 0.00 0.00 0.00 175.10 174.31 2qkr s ILE 88 N -0.15 1.81 -0.23 2.22 1.01 0.02 -3.26 121.20 122.62 2qkr s ILE 88 Ca -0.02 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 59.76 2qkr s ILE 88 Cb -0.02 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 2qkr s ILE 88 CO 0.00 0.50 0.07 -1.00 0.00 0.00 0.00 174.94 174.51 2qkr s HIS 89 N 1.23 3.13 0.09 3.97 3.76 -1.26 -0.70 115.29 125.50 2qkr s HIS 89 Ca 0.01 -0.26 0.01 0.00 -0.15 0.00 0.00 55.06 54.68 2qkr s HIS 89 Cb -0.14 -2.18 -0.04 0.00 1.11 0.00 0.00 32.58 31.33 2qkr s HIS 89 CO -0.09 -0.19 -0.05 0.45 -0.85 0.00 0.00 174.74 174.01 2qkr s SER 90 N 1.20 0.98 -1.54 1.40 0.15 -1.26 -5.01 113.70 109.61 2qkr s SER 90 Ca 0.04 -1.02 -0.12 0.00 0.70 0.00 0.00 55.95 55.56 2qkr s SER 90 Cb -0.14 0.12 -0.02 0.00 -1.71 0.00 0.00 66.02 64.27 2qkr s SER 90 CO 0.03 -0.51 2.59 1.21 1.20 0.00 0.00 173.24 177.77 2qkr n GLU 91 N -0.02 3.30 0.00 5.44 2.13 -1.26 -4.29 120.64 125.95 2qkr n GLU 91 Ca -0.12 -2.42 0.00 0.00 0.66 0.00 0.00 57.16 55.27 2qkr n GLU 91 Cb 0.61 -3.04 0.00 0.00 0.27 0.00 0.00 31.44 29.28 2qkr n GLU 91 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qkr s LEU 94 N 0.00 4.44 -0.14 0.00 1.43 -1.26 -4.64 118.68 118.51 2qkr s LEU 94 Ca 0.00 1.27 0.01 0.00 -1.03 0.00 0.00 54.13 54.39 2qkr s LEU 94 Cb 0.00 -3.04 0.02 0.00 0.03 0.00 0.00 46.19 43.20 2qkr s LEU 94 CO 0.00 0.08 -0.17 -0.89 0.23 0.00 0.00 176.35 175.60 2qkr s THR 95 N -0.21 1.75 -0.18 5.49 2.01 0.12 -2.23 115.64 122.38 2qkr s THR 95 Ca 0.34 -0.77 -0.16 0.00 0.31 0.00 0.00 61.69 61.41 2qkr s THR 95 Cb -0.19 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 2qkr s THR 95 CO 0.19 0.49 0.38 -0.76 -0.69 0.00 0.00 174.62 174.24 2qkr s LEU 96 N 1.11 4.19 -0.22 4.42 1.02 0.08 -0.80 118.68 128.47 2qkr s LEU 96 Ca -0.02 0.54 -0.14 0.00 0.02 0.00 0.00 54.13 54.54 2qkr s LEU 96 Cb -0.14 -2.50 -0.04 0.00 0.02 0.00 0.00 46.19 43.52 2qkr s LEU 96 CO -0.06 -0.03 0.30 -0.69 0.02 0.00 0.00 176.35 175.90 2qkr s VAL 97 N 1.04 5.26 0.25 -1.59 1.01 -0.35 -0.90 120.40 125.12 2qkr s VAL 97 Ca 0.19 0.49 0.10 0.00 0.00 0.00 0.00 61.98 62.76 2qkr s VAL 97 Cb -0.14 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 2qkr s VAL 97 CO 0.07 0.28 -0.18 -0.36 0.00 0.00 0.00 175.10 174.91 2qkr s PHE 98 N 1.31 2.08 0.49 5.22 0.40 0.78 -1.15 117.98 127.12 2qkr s PHE 98 Ca 0.14 -0.42 -0.23 0.00 -0.60 0.00 0.00 56.93 55.82 2qkr s PHE 98 Cb -0.14 -0.93 -0.07 0.00 0.51 0.00 0.00 43.02 42.39 2qkr s PHE 98 CO 0.07 0.58 1.33 -1.83 0.70 0.00 0.00 175.22 176.07 2qkr s GLU 99 N -3.50 3.49 0.27 0.44 -1.05 -0.92 -0.36 118.70 117.07 2qkr s GLU 99 Ca 0.27 2.17 -0.23 0.00 -0.15 0.00 0.00 54.97 57.03 2qkr s GLU 99 Cb -0.04 -2.44 -0.09 0.00 -0.44 0.00 0.00 34.13 31.12 2qkr s GLU 99 CO 0.12 -0.89 0.83 0.12 0.95 0.00 0.00 175.26 176.39 2qkr s PHE 100 N -1.32 3.67 -0.08 4.83 2.19 -1.26 -4.47 117.98 121.53 2qkr s PHE 100 Ca 0.66 1.57 -0.02 0.00 0.33 0.00 0.00 56.93 59.46 2qkr s PHE 100 Cb -0.38 -2.76 0.04 0.00 -1.31 0.00 0.00 43.02 38.60 2qkr s PHE 100 CO 0.47 0.28 0.05 -1.64 1.83 0.00 0.00 175.22 176.21 2qkr s MET 101 N -2.02 0.18 0.27 10.12 -1.94 -1.26 -4.96 119.30 119.69 2qkr s MET 101 Ca 0.46 0.17 -0.01 0.00 -1.71 0.00 0.00 55.69 54.60 2qkr s MET 101 Cb -0.17 -0.97 0.58 0.00 2.01 0.00 0.00 34.83 36.27 2qkr s MET 101 CO 0.22 -0.40 1.68 0.93 -0.01 0.00 0.00 175.02 177.44 2qkr h GLU 102 N 8.39 0.28 -3.37 2.03 3.07 -1.93 -3.46 114.58 119.59 2qkr h GLU 102 Ca -0.15 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 58.62 2qkr h GLU 102 Cb 1.13 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.94 2qkr h GLU 102 CO 0.22 0.19 0.10 -1.59 -1.40 0.00 0.00 179.01 176.52 2qkr s LYS 103 N -5.99 2.01 0.30 2.33 -2.85 -0.92 -5.04 119.74 109.58 2qkr s LYS 103 Ca -0.12 -1.43 0.10 0.00 -1.00 0.00 0.00 55.97 53.51 2qkr s LYS 103 Cb 0.23 0.56 -0.06 0.00 -2.06 0.00 0.00 37.83 36.50 2qkr s LYS 103 CO 0.77 -0.90 -0.12 0.16 0.10 0.00 0.00 175.35 175.35 2qkr s ASP 104 N -3.09 3.44 0.52 0.03 1.47 -1.26 -0.21 116.67 117.57 2qkr s ASP 104 Ca 0.20 -1.13 0.25 0.00 1.18 0.00 0.00 52.55 53.04 2qkr s ASP 104 Cb -0.03 -0.29 1.40 0.00 -0.34 0.00 0.00 42.92 43.66 2qkr s ASP 104 CO 0.13 -0.15 2.08 0.25 0.68 0.00 0.00 175.17 178.16 2qkr h LEU 105 N 2.18 0.00 -0.95 2.11 5.85 -0.54 -1.25 115.31 122.72 2qkr h LEU 105 Ca -0.41 0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.45 2qkr h LEU 105 Cb 1.25 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.19 2qkr h LEU 105 CO 0.66 0.12 0.56 0.50 -0.34 0.00 0.00 178.44 179.94 2qkr h LYS 106 N 0.00 0.81 0.06 1.25 1.63 -1.81 -1.19 116.57 117.33 2qkr h LYS 106 Ca -0.00 -0.05 -0.24 0.00 -0.85 0.00 0.00 60.65 59.51 2qkr h LYS 106 Cb 0.28 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 31.72 2qkr h LYS 106 CO 0.01 0.54 -1.08 0.87 -3.45 0.00 0.00 179.45 176.34 2qkr h LYS 107 N 0.84 0.28 -0.49 1.90 1.57 -1.58 -3.10 116.57 115.99 2qkr h LYS 107 Ca 0.50 -0.39 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 2qkr h LYS 107 Cb 0.60 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 2qkr h LYS 107 CO -0.31 1.13 0.11 0.28 -0.57 0.00 0.00 179.45 180.09 2qkr h VAL 108 N 0.12 1.21 0.00 0.50 2.07 -1.18 -2.45 116.25 116.52 2qkr h VAL 108 Ca -0.10 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.65 2qkr h VAL 108 Cb 1.77 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 2qkr h VAL 108 CO 0.18 0.29 0.00 -0.07 0.02 0.00 0.00 177.57 177.98 2qkr h LEU 109 N 0.73 0.00 0.00 2.57 3.38 -1.21 -2.20 115.31 118.57 2qkr h LEU 109 Ca 0.16 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 2qkr h LEU 109 Cb 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2qkr h LEU 109 CO -0.00 0.00 -0.72 0.44 0.09 0.00 0.00 178.44 178.25 2qkr h ASP 110 N 0.00 0.00 0.76 -0.43 3.45 -1.37 -3.17 116.42 115.67 2qkr h ASP 110 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2qkr h ASP 110 Cb 0.54 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.31 2qkr h ASP 110 CO 0.00 0.51 -0.33 -0.62 -1.57 0.00 0.00 179.24 177.23 2qkr n GLU 111 N -3.14 0.06 -3.35 3.56 -0.58 -1.03 -4.49 120.64 111.68 2qkr n GLU 111 Ca -0.01 0.02 -0.26 0.00 -0.42 0.00 0.00 57.16 56.50 2qkr n GLU 111 Cb 0.75 -1.54 -0.08 0.00 -0.57 0.00 0.00 31.44 30.00 2qkr n GLU 111 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2qkr n ASN 112 N -1.63 1.36 0.20 1.62 3.02 -0.86 -4.98 115.26 114.00 2qkr n ASN 112 Ca 0.06 -2.91 0.15 0.00 -0.03 0.00 0.00 54.58 51.85 2qkr n ASN 112 Cb 0.36 -0.65 0.65 0.00 -0.61 0.00 0.00 39.78 39.53 2qkr n ASN 112 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2qkr h LYS 113 N 4.41 0.00 -0.16 3.52 1.57 -1.78 -1.35 116.57 122.78 2qkr h LYS 113 Ca 0.14 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 2qkr h LYS 113 Cb 0.81 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 2qkr h LYS 113 CO 0.58 0.00 -0.03 0.25 -0.57 0.00 0.00 179.45 179.68 2qkr n THR 114 N -2.59 2.16 0.00 -0.16 -2.24 -1.26 -4.49 114.28 105.69 2qkr n THR 114 Ca 0.00 -2.19 0.00 0.00 -2.27 0.00 0.00 64.05 59.59 2qkr n THR 114 Cb 0.20 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 2qkr n THR 114 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qkr n GLY 115 N -0.97 0.49 3.77 3.38 0.00 -0.51 -4.32 105.19 107.03 2qkr n GLY 115 Ca 0.20 -2.12 -0.22 0.00 0.00 0.00 0.00 46.02 43.88 2qkr n GLY 115 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qkr s LEU 116 N 0.00 3.43 0.32 0.99 1.43 -0.21 -4.80 118.68 119.84 2qkr s LEU 116 Ca 0.00 -0.60 -0.29 0.00 -1.03 0.00 0.00 54.13 52.21 2qkr s LEU 116 Cb 0.00 -1.96 -0.11 0.00 0.03 0.00 0.00 46.19 44.15 2qkr s LEU 116 CO 0.00 -0.23 1.57 1.67 0.23 0.00 0.00 176.35 179.59 2qkr n GLN 117 N -1.18 2.69 -0.29 1.70 7.27 -1.26 -4.76 117.38 121.55 2qkr n GLN 117 Ca -0.04 0.95 0.34 0.00 0.07 0.00 0.00 57.00 58.32 2qkr n GLN 117 Cb 0.60 -2.72 0.74 0.00 2.41 0.00 0.00 30.24 31.27 2qkr n GLN 117 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 2qkr h ASP 118 N 4.29 0.00 -0.61 1.69 3.32 -1.98 0.39 116.42 123.52 2qkr h ASP 118 Ca -0.48 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.50 2qkr h ASP 118 Cb 1.23 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 2qkr h ASP 118 CO 0.75 0.00 0.09 -1.28 -1.72 0.00 0.00 179.24 177.09 2qkr h SER 119 N 0.00 0.97 0.00 6.45 0.87 -2.00 -3.06 113.55 116.78 2qkr h SER 119 Ca 0.54 -0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 2qkr h SER 119 Cb 2.22 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 63.92 2qkr h SER 119 CO -0.01 0.98 -0.08 1.56 -0.53 0.00 0.00 176.83 178.76 2qkr h GLN 120 N 0.91 0.00 -0.76 2.24 1.08 -0.64 -2.88 115.11 115.07 2qkr h GLN 120 Ca 0.18 0.00 0.14 0.00 -1.45 0.00 0.00 58.65 57.52 2qkr h GLN 120 Cb 0.43 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 27.72 2qkr h GLN 120 CO 0.01 0.86 -0.27 0.82 -0.95 0.00 0.00 178.83 179.31 2qkr h ILE 121 N -1.00 0.17 -0.26 2.54 2.04 -1.32 0.30 117.51 119.98 2qkr h ILE 121 Ca -0.02 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.90 2qkr h ILE 121 Cb 0.89 0.17 -0.06 0.00 -0.74 0.00 0.00 36.82 37.07 2qkr h ILE 121 CO -0.01 0.00 -0.16 0.50 0.00 0.00 0.00 178.15 178.48 2qkr h LYS 122 N -0.05 -0.13 0.42 2.37 3.64 -1.61 0.13 116.57 121.33 2qkr h LYS 122 Ca 0.33 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.70 2qkr h LYS 122 Cb 0.57 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2qkr h LYS 122 CO -0.80 -0.09 -0.20 0.82 -2.27 0.00 0.00 179.45 176.91 2qkr h ILE 123 N -0.14 0.59 0.07 2.00 2.04 -0.57 0.13 117.51 121.62 2qkr h ILE 123 Ca 0.14 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.00 2qkr h ILE 123 Cb 0.35 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2qkr h ILE 123 CO -0.34 0.00 -0.03 1.88 0.00 0.00 0.00 178.15 179.66 2qkr h TYR 124 N -0.57 -0.09 -0.73 1.37 0.99 -0.41 -2.14 116.97 115.39 2qkr h TYR 124 Ca -0.06 -0.00 0.09 0.00 2.00 0.00 0.00 58.73 60.76 2qkr h TYR 124 Cb 0.43 0.03 -0.07 0.00 1.00 0.00 0.00 36.73 38.12 2qkr h TYR 124 CO -0.05 0.01 0.38 1.25 -0.00 0.00 0.00 178.16 179.75 2qkr h LEU 125 N -0.16 0.53 -0.58 3.88 5.85 -0.69 -0.19 115.31 123.94 2qkr h LEU 125 Ca -0.01 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 2qkr h LEU 125 Cb 0.13 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2qkr h LEU 125 CO 0.02 0.31 0.23 0.22 -0.34 0.00 0.00 178.44 178.87 2qkr h TYR 126 N 0.66 0.88 -0.19 1.25 3.20 -0.49 -1.16 116.97 121.12 2qkr h TYR 126 Ca 0.35 -0.07 -0.11 0.00 3.14 0.00 0.00 58.73 62.05 2qkr h TYR 126 Cb 0.34 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 2qkr h TYR 126 CO -0.09 0.71 -0.35 1.96 -1.64 0.00 0.00 178.16 178.75 2qkr h GLN 127 N 0.80 0.40 -0.26 1.82 4.20 -0.75 -0.65 115.11 120.67 2qkr h GLN 127 Ca 0.19 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 2qkr h GLN 127 Cb 0.20 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 2qkr h GLN 127 CO -0.02 0.70 0.14 1.25 -0.67 0.00 0.00 178.83 180.23 2qkr h LEU 128 N 0.34 0.33 -0.84 1.46 5.85 -0.60 -1.58 115.31 120.26 2qkr h LEU 128 Ca 0.04 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 2qkr h LEU 128 Cb 0.78 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 2qkr h LEU 128 CO 0.06 0.32 0.29 -0.07 -0.34 0.00 0.00 178.44 178.70 2qkr h LEU 129 N 0.31 1.05 -0.46 2.25 3.38 -0.83 -1.93 115.31 119.07 2qkr h LEU 129 Ca 0.09 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 2qkr h LEU 129 Cb 0.07 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2qkr h LEU 129 CO -0.01 0.94 0.10 -0.09 0.09 0.00 0.00 178.44 179.47 2qkr h ARG 130 N 1.11 0.75 0.41 1.13 2.43 -0.76 0.17 114.38 119.63 2qkr h ARG 130 Ca 0.25 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 2qkr h ARG 130 Cb 0.23 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2qkr h ARG 130 CO -0.02 0.75 -0.20 0.78 -1.51 0.00 0.00 179.97 179.78 2qkr h GLY 131 N 0.63 -0.58 1.32 2.80 0.00 -1.24 -2.41 103.07 103.59 2qkr h GLY 131 Ca 0.14 0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.71 2qkr h GLY 131 CO 0.00 -0.21 0.43 -2.08 0.00 0.00 0.00 176.54 174.68 2qkr h VAL 132 N -0.59 1.13 -0.73 4.60 2.07 -1.26 -1.38 116.25 120.09 2qkr h VAL 132 Ca -0.06 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 2qkr h VAL 132 Cb 0.45 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 2qkr h VAL 132 CO 0.09 0.15 0.28 0.00 0.02 0.00 0.00 177.57 178.11 2qkr h ALA 133 N 1.61 0.95 -0.43 1.67 0.00 -0.59 -1.81 119.26 120.66 2qkr h ALA 133 Ca 0.25 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2qkr h ALA 133 Cb -0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2qkr h ALA 133 CO -0.06 0.59 0.28 1.25 0.00 0.00 0.00 179.25 181.31 2qkr h HIS 134 N 1.05 0.54 -0.56 0.00 6.17 -0.76 -0.06 115.15 121.54 2qkr h HIS 134 Ca 0.24 0.01 0.08 0.00 0.71 0.00 0.00 60.37 61.42 2qkr h HIS 134 Cb 0.23 -0.18 -0.07 0.00 2.52 0.00 0.00 27.41 29.91 2qkr h HIS 134 CO 0.02 0.35 0.19 0.00 0.71 0.00 0.00 177.93 179.19 2qkr h HIS 136 N 0.36 0.28 -0.60 0.00 3.86 -0.80 -0.01 115.15 118.24 2qkr h HIS 136 Ca 0.28 -0.12 -0.06 0.00 -1.16 0.00 0.00 60.37 59.31 2qkr h HIS 136 Cb 0.34 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.73 2qkr h HIS 136 CO -0.18 0.80 0.14 0.37 0.86 0.00 0.00 177.93 179.93 2qkr h GLN 137 N 0.15 0.94 -0.55 2.45 4.15 -0.79 -2.70 115.11 118.76 2qkr h GLN 137 Ca -0.01 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.21 2qkr h GLN 137 Cb 1.17 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.73 2qkr h GLN 137 CO 0.10 0.84 0.00 0.72 -1.93 0.00 0.00 178.83 178.55 2qkr n HIS 138 N -4.26 0.54 -3.06 3.99 8.25 -0.65 -4.92 115.22 115.11 2qkr n HIS 138 Ca 0.04 -0.21 -0.18 0.00 -0.26 0.00 0.00 57.72 57.11 2qkr n HIS 138 Cb 0.24 -0.12 0.04 0.00 1.12 0.00 0.00 29.99 31.27 2qkr n HIS 138 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2qkr n ARG 139 N 0.25 -4.82 -4.42 -0.41 3.00 -0.72 -4.90 116.66 104.64 2qkr n ARG 139 Ca 0.09 0.67 -0.19 0.00 -0.01 0.00 0.00 57.85 58.41 2qkr n ARG 139 Cb 0.40 -5.12 -0.15 0.00 0.00 0.00 0.00 32.46 27.60 2qkr n ARG 139 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2qkr s ILE 140 N -3.13 0.81 -0.13 0.55 1.01 -0.10 -0.29 121.20 119.93 2qkr s ILE 140 Ca 0.33 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.51 2qkr s ILE 140 Cb -0.15 -0.68 -0.01 0.00 0.01 0.00 0.00 42.46 41.63 2qkr s ILE 140 CO 0.41 0.20 -0.16 -0.76 0.00 0.00 0.00 174.94 174.63 2qkr s LEU 141 N -0.31 2.54 0.08 2.97 1.43 -0.63 -3.49 118.68 121.27 2qkr s LEU 141 Ca 0.04 -0.40 -0.32 0.00 -1.03 0.00 0.00 54.13 52.41 2qkr s LEU 141 Cb -0.04 -1.56 -0.17 0.00 0.03 0.00 0.00 46.19 44.44 2qkr s LEU 141 CO -0.00 0.15 1.63 -0.74 0.23 0.00 0.00 176.35 177.61 2qkr h HIS 142 N 6.83 -0.86 0.00 0.29 -0.00 -1.91 0.09 115.15 119.60 2qkr h HIS 142 Ca -0.26 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.10 2qkr h HIS 142 Cb 1.21 0.30 0.00 0.00 -0.00 0.00 0.00 27.41 28.92 2qkr h HIS 142 CO 0.50 -0.51 0.00 0.54 -0.00 0.00 0.00 177.93 178.46 2qkr n ARG 143 N -5.47 -0.14 -2.73 5.26 1.74 -1.26 -2.78 116.66 111.28 2qkr n ARG 143 Ca -0.13 0.04 -0.04 0.00 -0.77 0.00 0.00 57.85 56.95 2qkr n ARG 143 Cb 0.36 -3.24 0.08 0.00 -1.02 0.00 0.00 32.46 28.64 2qkr n ARG 143 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2qkr n ASP 144 N -0.07 0.19 -4.76 0.55 4.64 -1.26 -5.01 116.55 110.83 2qkr n ASP 144 Ca 0.00 -2.34 -0.41 0.00 -1.38 0.00 0.00 54.79 50.67 2qkr n ASP 144 Cb 0.04 0.05 -0.03 0.00 -1.04 0.00 0.00 41.12 40.14 2qkr n ASP 144 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 2qkr s LEU 145 N -3.58 4.49 -0.18 -2.67 1.43 -1.26 -4.87 118.68 112.04 2qkr s LEU 145 Ca 0.22 2.47 -0.35 0.00 -1.03 0.00 0.00 54.13 55.44 2qkr s LEU 145 Cb 0.40 -3.64 0.14 0.00 0.03 0.00 0.00 46.19 43.12 2qkr s LEU 145 CO -0.05 -0.34 1.19 -1.59 0.23 0.00 0.00 176.35 175.79 2qkr s LYS 146 N -1.54 0.33 0.25 1.70 -2.85 -1.26 -4.82 119.74 111.56 2qkr s LYS 146 Ca 0.47 -0.12 -0.03 0.00 -1.00 0.00 0.00 55.97 55.29 2qkr s LYS 146 Cb -0.36 0.15 0.49 0.00 -2.06 0.00 0.00 37.83 36.06 2qkr s LYS 146 CO 0.46 -0.15 1.72 -1.35 0.10 0.00 0.00 175.35 176.14 2qkr h PRO 147 N 2.01 0.43 0.00 1.78 0.11 -1.93 -0.11 132.00 134.29 2qkr h PRO 147 Ca -0.10 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.99 2qkr h PRO 147 Cb 1.17 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2qkr h PRO 147 CO 0.23 0.28 0.00 -0.56 -0.21 0.00 0.00 178.00 177.75 2qkr h GLN 148 N 0.44 0.00 -0.16 1.05 3.07 -1.92 -1.58 115.11 116.01 2qkr h GLN 148 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.17 2qkr h GLN 148 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.24 2qkr h GLN 148 CO -0.42 0.00 0.00 0.09 0.09 0.00 0.00 178.83 178.59 2qkr n ASN 149 N -2.98 1.40 -4.17 0.06 3.02 -0.06 -4.65 115.26 107.88 2qkr n ASN 149 Ca 0.01 -1.71 -0.35 0.00 -0.03 0.00 0.00 54.58 52.49 2qkr n ASN 149 Cb 0.28 -0.10 -0.13 0.00 -0.61 0.00 0.00 39.78 39.22 2qkr n ASN 149 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2qkr s LEU 150 N -1.49 4.23 0.17 3.41 1.43 -0.64 -1.30 118.68 124.50 2qkr s LEU 150 Ca 0.30 -1.43 -0.12 0.00 -1.03 0.00 0.00 54.13 51.84 2qkr s LEU 150 Cb 0.16 -1.75 -0.07 0.00 0.03 0.00 0.00 46.19 44.56 2qkr s LEU 150 CO 0.24 -0.33 0.54 -0.76 0.23 0.00 0.00 176.35 176.27 2qkr s LEU 151 N 1.24 4.27 -0.04 1.79 1.43 -0.12 -0.84 118.68 126.41 2qkr s LEU 151 Ca -0.02 1.00 0.03 0.00 -1.03 0.00 0.00 54.13 54.12 2qkr s LEU 151 Cb -0.20 -3.41 -0.00 0.00 0.03 0.00 0.00 46.19 42.61 2qkr s LEU 151 CO -0.01 0.04 -0.13 -0.63 0.23 0.00 0.00 176.35 175.84 2qkr s ILE 152 N -1.60 1.14 0.31 -0.59 1.09 0.71 0.18 121.20 122.44 2qkr s ILE 152 Ca 0.41 -0.55 0.07 0.00 -1.10 0.00 0.00 60.65 59.47 2qkr s ILE 152 Cb -0.13 -0.99 -0.02 0.00 -1.06 0.00 0.00 42.46 40.26 2qkr s ILE 152 CO 0.20 0.34 0.39 0.54 -0.10 0.00 0.00 174.94 176.31 2qkr s ASN 153 N 0.11 5.83 -1.22 3.58 2.20 -0.68 -2.16 114.94 122.61 2qkr s ASN 153 Ca -0.04 -0.22 -0.16 0.00 -0.94 0.00 0.00 52.86 51.50 2qkr s ASN 153 Cb -0.10 -1.28 0.13 0.00 -2.00 0.00 0.00 41.25 38.00 2qkr s ASN 153 CO 0.01 -0.33 1.53 -0.44 -2.94 0.00 0.00 177.10 174.93 2qkr s SER 154 N -4.08 6.96 0.00 3.54 0.01 -1.26 -4.16 113.70 114.71 2qkr s SER 154 Ca 0.41 -2.72 0.00 0.00 1.31 0.00 0.00 55.95 54.95 2qkr s SER 154 Cb -0.08 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2qkr s SER 154 CO 0.29 -0.93 0.00 0.47 0.41 0.00 0.00 173.24 173.48 2qkr n ASP 155 N 6.73 0.00 0.00 2.44 10.43 -1.26 -5.15 116.55 129.74 2qkr n ASP 155 Ca 0.40 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.76 2qkr n ASP 155 Cb 0.44 0.35 0.00 0.00 1.84 0.00 0.00 41.12 43.75 2qkr n ASP 155 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2qkr n ALA 157 N -2.28 0.00 -2.39 2.24 0.00 -1.26 -5.19 120.51 111.63 2qkr n ALA 157 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2qkr n ALA 157 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 2qkr n ALA 157 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2qkr s LEU 158 N 0.00 2.32 -0.05 0.00 0.20 -1.26 -1.68 118.68 118.21 2qkr s LEU 158 Ca 0.00 -0.66 -0.04 0.00 0.69 0.00 0.00 54.13 54.12 2qkr s LEU 158 Cb 0.00 -1.29 0.01 0.00 -0.43 0.00 0.00 46.19 44.48 2qkr s LEU 158 CO 0.00 0.21 0.13 -0.54 -0.29 0.00 0.00 176.35 175.86 2qkr s LYS 159 N -1.76 0.15 0.20 1.98 1.02 0.13 -4.51 119.74 116.94 2qkr s LYS 159 Ca 0.14 0.17 -0.30 0.00 0.02 0.00 0.00 55.97 56.00 2qkr s LYS 159 Cb -0.10 0.07 -0.08 0.00 -0.52 0.00 0.00 37.83 37.20 2qkr s LYS 159 CO 0.05 -0.02 1.10 -0.51 -0.92 0.00 0.00 175.35 175.05 2qkr s LEU 160 N 0.07 4.51 0.31 3.17 1.43 0.70 -0.95 118.68 127.91 2qkr s LEU 160 Ca -0.00 2.13 0.03 0.00 -1.03 0.00 0.00 54.13 55.26 2qkr s LEU 160 Cb -0.01 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 2qkr s LEU 160 CO 0.00 -0.20 0.12 0.00 0.23 0.00 0.00 176.35 176.50 2qkr s ALA 161 N -0.46 2.07 -0.42 4.21 0.00 -0.42 -1.71 121.76 125.03 2qkr s ALA 161 Ca 0.48 -1.76 -0.09 0.00 0.00 0.00 0.00 51.96 50.58 2qkr s ALA 161 Cb -0.30 1.00 0.01 0.00 0.00 0.00 0.00 23.12 23.83 2qkr s ALA 161 CO 0.36 -0.44 0.51 -3.47 0.00 0.00 0.00 175.76 172.72 2qkr n ASP 162 N -0.79 -6.80 -2.05 0.00 2.03 -1.26 -4.84 116.55 102.83 2qkr n ASP 162 Ca -0.01 0.30 -0.21 0.00 0.52 0.00 0.00 54.79 55.39 2qkr n ASP 162 Cb 0.66 -4.55 0.15 0.00 -0.72 0.00 0.00 41.12 36.65 2qkr n ASP 162 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2qkr n PHE 163 N -0.70 2.62 0.11 -0.67 3.01 -1.26 -4.57 117.46 116.00 2qkr n PHE 163 Ca 0.07 -1.73 0.05 0.00 1.01 0.00 0.00 57.45 56.85 2qkr n PHE 163 Cb 0.41 -0.88 0.49 0.00 -0.01 0.00 0.00 39.48 39.48 2qkr n PHE 163 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2qkr h GLY 164 N 1.52 0.32 -1.30 1.37 0.00 -1.90 -2.70 103.07 100.37 2qkr h GLY 164 Ca 0.54 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.74 2qkr h GLY 164 CO 0.97 0.13 0.00 1.04 0.00 0.00 0.00 176.54 178.68 2qkr n LEU 165 N -4.45 2.92 -4.64 3.11 4.77 -1.26 -4.90 117.00 112.54 2qkr n LEU 165 Ca 0.00 -1.96 -0.36 0.00 -0.03 0.00 0.00 56.01 53.66 2qkr n LEU 165 Cb 0.12 -0.23 0.09 0.00 -2.33 0.00 0.00 43.42 41.06 2qkr n LEU 165 CO 0.35 0.72 0.62 0.00 -1.33 0.00 0.00 177.39 177.76 2qkr n ALA 166 N 0.55 0.03 -3.89 -1.18 0.00 -1.02 -4.69 120.51 110.30 2qkr n ALA 166 Ca 0.12 -0.17 -0.30 0.00 0.00 0.00 0.00 53.44 53.09 2qkr n ALA 166 Cb 0.43 -2.17 -0.15 0.00 0.00 0.00 0.00 19.45 17.55 2qkr n ALA 166 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2qkr s ARG 167 N -3.41 1.35 0.20 0.00 3.52 0.02 -4.93 118.95 115.70 2qkr s ARG 167 Ca 0.75 -1.05 -0.30 0.00 -0.13 0.00 0.00 55.73 55.00 2qkr s ARG 167 Cb -0.35 -2.51 -0.08 0.00 -1.56 0.00 0.00 34.95 30.45 2qkr s ARG 167 CO 0.49 -0.71 1.15 0.00 -0.81 0.00 0.00 175.30 175.42 2qkr s ALA 168 N 1.42 3.41 -0.11 6.12 0.00 -1.26 -1.60 121.76 129.74 2qkr s ALA 168 Ca -0.01 0.90 -0.29 0.00 0.00 0.00 0.00 51.96 52.56 2qkr s ALA 168 Cb -0.18 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.49 2qkr s ALA 168 CO -0.10 -0.29 2.05 0.12 0.00 0.00 0.00 175.76 177.54 2qkr s PHE 169 N -0.27 1.31 0.00 0.00 5.36 0.61 -2.27 117.98 122.72 2qkr s PHE 169 Ca 0.50 0.11 0.00 0.00 -0.96 0.00 0.00 56.93 56.58 2qkr s PHE 169 Cb -0.31 -4.07 0.00 0.00 -0.34 0.00 0.00 43.02 38.29 2qkr s PHE 169 CO 0.37 -4.61 0.00 0.41 -1.46 0.00 0.00 175.22 169.93 2qkr n GLY 170 N 5.13 1.88 3.67 13.12 0.00 -1.26 -5.06 105.19 122.66 2qkr n GLY 170 Ca 0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 2qkr n GLY 170 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qkr s ILE 171 N -2.41 5.30 0.58 -0.61 1.09 -0.96 -5.07 121.20 119.12 2qkr s ILE 171 Ca 0.00 0.38 -0.20 0.00 -1.10 0.00 0.00 60.65 59.74 2qkr s ILE 171 Cb 0.00 -3.59 -0.05 0.00 -1.06 0.00 0.00 42.46 37.77 2qkr s ILE 171 CO 0.00 0.32 1.11 -2.65 -0.10 0.00 0.00 174.94 173.62 2qkr n PRO 172 N 4.29 1.14 -2.94 2.79 -0.02 -1.26 -4.63 135.00 134.37 2qkr n PRO 172 Ca -0.13 0.43 -0.35 0.00 -2.02 0.00 0.00 63.50 61.44 2qkr n PRO 172 Cb 0.52 -2.31 -0.06 0.00 -0.02 0.00 0.00 33.50 31.62 2qkr n PRO 172 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2qkr s VAL 173 N -1.42 4.44 0.00 -1.45 1.01 -1.26 -5.03 120.40 116.68 2qkr s VAL 173 Ca 0.75 1.43 0.00 0.00 0.00 0.00 0.00 61.98 64.16 2qkr s VAL 173 Cb -0.42 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.17 2qkr s VAL 173 CO 0.47 -0.02 0.00 0.54 0.00 0.00 0.00 175.10 176.09 2qkr n ARG 174 N 0.13 0.00 0.00 2.72 3.00 -1.26 -5.26 116.66 115.99 2qkr n ARG 174 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.86 2qkr n ARG 174 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.98 2qkr n ARG 174 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2qkr n VAL 180 N 0.00 0.00 -2.56 1.55 0.31 -1.26 -5.24 118.33 111.13 2qkr n VAL 180 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 2qkr n VAL 180 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 2qkr n VAL 180 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2qkr s VAL 181 N 0.00 4.76 0.17 2.52 -7.23 -1.26 -5.05 120.40 114.31 2qkr s VAL 181 Ca 0.00 0.66 -0.30 0.00 -1.81 0.00 0.00 61.98 60.53 2qkr s VAL 181 Cb 0.00 -3.79 -0.07 0.00 0.56 0.00 0.00 36.38 33.08 2qkr s VAL 181 CO 0.00 -0.73 1.10 0.28 -0.31 0.00 0.00 175.10 175.44 2qkr s THR 182 N -2.64 3.90 -1.48 5.32 -1.32 -1.26 -4.95 115.64 113.22 2qkr s THR 182 Ca 0.52 1.62 0.17 0.00 -1.21 0.00 0.00 61.69 62.79 2qkr s THR 182 Cb -0.10 -4.03 0.60 0.00 -1.51 0.00 0.00 72.50 67.46 2qkr s THR 182 CO 0.38 0.27 1.49 0.18 -2.21 0.00 0.00 174.62 174.73 2qkr n LEU 183 N 2.50 3.90 0.21 9.08 4.32 -1.26 -4.56 117.00 131.19 2qkr n LEU 183 Ca 0.03 -1.96 0.15 0.00 -0.02 0.00 0.00 56.01 54.21 2qkr n LEU 183 Cb 0.46 -0.50 0.56 0.00 -1.62 0.00 0.00 43.42 42.32 2qkr n LEU 183 CO 0.54 0.76 0.93 -0.50 -1.22 0.00 0.00 177.39 177.89 2qkr h TRP 184 N 3.59 0.00 -0.17 -1.77 6.55 -1.93 -2.98 115.95 119.24 2qkr h TRP 184 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 2qkr h TRP 184 Cb 1.14 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.44 2qkr h TRP 184 CO 0.59 0.00 0.00 0.66 -1.05 0.00 0.00 178.44 178.64 2qkr n TYR 185 N -2.76 0.28 -2.84 0.49 4.01 -1.26 -4.57 117.16 110.51 2qkr n TYR 185 Ca 0.02 -0.57 -0.38 0.00 -0.16 0.00 0.00 57.90 56.80 2qkr n TYR 185 Cb 0.31 -0.07 -0.06 0.00 -0.31 0.00 0.00 39.34 39.21 2qkr n TYR 185 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2qkr s ARG 186 N -1.30 4.65 0.31 -0.72 1.81 -1.13 -3.88 118.95 118.69 2qkr s ARG 186 Ca 0.16 1.31 -0.29 0.00 -1.72 0.00 0.00 55.73 55.19 2qkr s ARG 186 Cb 0.10 -3.07 -0.10 0.00 -0.45 0.00 0.00 34.95 31.43 2qkr s ARG 186 CO 0.08 0.43 1.43 0.00 -0.68 0.00 0.00 175.30 176.56 2qkr s ALA 187 N -1.36 3.59 0.34 2.13 0.00 -1.26 -4.89 121.76 120.30 2qkr s ALA 187 Ca 0.43 1.40 0.07 0.00 0.00 0.00 0.00 51.96 53.86 2qkr s ALA 187 Cb -0.22 -3.56 0.76 0.00 0.00 0.00 0.00 23.12 20.10 2qkr s ALA 187 CO 0.27 -0.82 1.87 -1.00 0.00 0.00 0.00 175.76 176.08 2qkr h PRO 188 N 4.06 0.74 -0.17 0.00 0.13 -1.95 -1.65 132.00 133.15 2qkr h PRO 188 Ca -0.48 -0.04 -0.14 0.00 -0.87 0.00 0.00 66.00 64.47 2qkr h PRO 188 Cb 1.23 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 2qkr h PRO 188 CO 0.71 0.49 -0.48 0.38 -0.23 0.00 0.00 178.00 178.87 2qkr h ASP 189 N 0.76 0.48 -0.02 1.44 -0.00 -1.91 -1.13 116.42 116.04 2qkr h ASP 189 Ca 0.45 -0.23 -0.00 0.00 -0.00 0.00 0.00 57.03 57.24 2qkr h ASP 189 Cb 0.64 -0.14 -0.00 0.00 -0.00 0.00 0.00 39.33 39.83 2qkr h ASP 189 CO -0.21 0.89 0.01 0.58 -0.00 0.00 0.00 179.24 180.51 2qkr h VAL 190 N 0.35 1.15 -0.16 4.15 2.07 -1.68 0.93 116.25 123.07 2qkr h VAL 190 Ca 0.02 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 67.14 2qkr h VAL 190 Cb 0.98 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 2qkr h VAL 190 CO 0.09 0.12 0.22 -0.07 0.02 0.00 0.00 177.57 177.95 2qkr h LEU 191 N -0.15 0.00 -2.70 2.57 3.38 -1.12 0.22 115.31 117.51 2qkr h LEU 191 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2qkr h LEU 191 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2qkr h LEU 191 CO -0.00 0.00 0.00 0.23 0.09 0.00 0.00 178.44 178.76 2qkr n MET 192 N -3.60 2.88 0.00 1.13 2.81 -0.44 -4.93 117.12 114.97 2qkr n MET 192 Ca 0.01 -2.60 0.00 0.00 -1.81 0.00 0.00 57.70 53.30 2qkr n MET 192 Cb 0.34 -1.63 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 2qkr n MET 192 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qkr n GLY 193 N 1.51 0.75 3.77 3.03 0.00 0.06 -1.87 105.19 112.44 2qkr n GLY 193 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 2qkr n GLY 193 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qkr s SER 194 N -2.43 6.33 0.00 1.61 0.15 0.27 -4.77 113.70 114.86 2qkr s SER 194 Ca 0.00 3.04 0.03 0.00 0.70 0.00 0.00 55.95 59.71 2qkr s SER 194 Cb 0.00 -2.66 -0.01 0.00 -1.71 0.00 0.00 66.02 61.64 2qkr s SER 194 CO 0.00 -0.91 0.27 0.29 1.20 0.00 0.00 173.24 174.09 2qkr n LYS 195 N 1.18 4.00 -2.37 5.44 4.76 -1.26 -4.61 118.16 125.31 2qkr n LYS 195 Ca 0.04 -0.22 -0.41 0.00 -2.87 0.00 0.00 58.31 54.86 2qkr n LYS 195 Cb 0.38 -0.77 -0.04 0.00 -1.84 0.00 0.00 35.03 32.77 2qkr n LYS 195 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2qkr s LYS 196 N -0.96 4.54 0.17 1.97 2.20 -1.26 -4.98 119.74 121.43 2qkr s LYS 196 Ca 0.02 1.92 -0.32 0.00 -0.36 0.00 0.00 55.97 57.23 2qkr s LYS 196 Cb 0.02 -3.17 -0.10 0.00 -1.51 0.00 0.00 37.83 33.07 2qkr s LYS 196 CO 0.09 0.06 1.60 -0.47 -0.36 0.00 0.00 175.35 176.27 2qkr s TYR 197 N -0.92 3.03 -0.29 4.03 5.04 -1.26 -5.00 117.35 121.98 2qkr s TYR 197 Ca 0.47 0.56 -0.15 0.00 -2.44 0.00 0.00 57.07 55.52 2qkr s TYR 197 Cb -0.34 -3.98 0.11 0.00 0.35 0.00 0.00 41.96 38.10 2qkr s TYR 197 CO 0.43 -3.62 0.75 0.45 -1.34 0.00 0.00 175.55 172.21 2qkr s SER 198 N 1.15 -0.90 0.51 4.32 0.15 -1.26 -5.02 113.70 112.65 2qkr s SER 198 Ca 0.71 1.37 0.17 0.00 0.70 0.00 0.00 55.95 58.90 2qkr s SER 198 Cb -0.45 1.59 1.26 0.00 -1.71 0.00 0.00 66.02 66.70 2qkr s SER 198 CO 0.31 -0.21 2.12 0.71 1.20 0.00 0.00 173.24 177.38 2qkr h THR 199 N 5.26 0.98 -0.64 6.45 1.35 -1.97 -2.97 112.91 121.37 2qkr h THR 199 Ca -0.26 -0.15 0.19 0.00 -0.55 0.00 0.00 66.41 65.63 2qkr h THR 199 Cb 1.19 1.08 -0.03 0.00 -1.73 0.00 0.00 68.15 68.67 2qkr h THR 199 CO 0.15 0.04 0.51 0.77 -0.25 0.00 0.00 175.52 176.74 2qkr h SER 200 N 0.00 0.00 -0.67 5.36 4.64 -1.93 -2.29 113.55 118.67 2qkr h SER 200 Ca -0.00 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.39 2qkr h SER 200 Cb 0.08 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.13 2qkr h SER 200 CO 0.01 0.00 0.44 0.58 -0.87 0.00 0.00 176.83 176.99 2qkr h VAL 201 N 0.00 0.98 0.00 0.95 2.07 -1.92 -2.15 116.25 116.18 2qkr h VAL 201 Ca 0.31 -0.22 -0.23 0.00 0.82 0.00 0.00 66.70 67.38 2qkr h VAL 201 Cb 1.32 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 2qkr h VAL 201 CO -0.00 0.11 -1.17 0.44 0.02 0.00 0.00 177.57 176.97 2qkr h ASP 202 N 0.63 0.01 -0.35 0.57 3.32 -1.65 -3.29 116.42 115.65 2qkr h ASP 202 Ca 0.30 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.23 2qkr h ASP 202 Cb 0.35 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 2qkr h ASP 202 CO -0.09 1.01 -0.16 0.40 -1.72 0.00 0.00 179.24 178.68 2qkr h ILE 203 N 0.00 1.26 -0.83 0.35 1.08 -1.46 -0.13 117.51 117.78 2qkr h ILE 203 Ca -0.08 -1.25 0.13 0.00 -0.39 0.00 0.00 64.86 63.26 2qkr h ILE 203 Cb 1.83 1.10 -0.09 0.00 -3.07 0.00 0.00 36.82 36.60 2qkr h ILE 203 CO 0.12 0.43 0.44 -0.25 -0.69 0.00 0.00 178.15 178.20 2qkr h TRP 204 N 0.72 0.78 -0.19 1.37 2.91 -1.54 0.60 115.95 120.61 2qkr h TRP 204 Ca 0.11 0.03 -0.15 0.00 1.13 0.00 0.00 58.89 60.02 2qkr h TRP 204 Cb 0.66 -0.22 -0.01 0.00 -0.51 0.00 0.00 29.16 29.08 2qkr h TRP 204 CO 0.04 0.24 -0.50 0.77 -1.03 0.00 0.00 178.44 177.95 2qkr h SER 205 N 0.67 0.57 -0.43 2.65 0.02 -1.31 -1.78 113.55 113.95 2qkr h SER 205 Ca 0.43 -0.29 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 2qkr h SER 205 Cb 0.54 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 2qkr h SER 205 CO -0.32 0.98 0.10 0.40 -1.14 0.00 0.00 176.83 176.84 2qkr h ILE 206 N 0.41 1.23 -0.28 3.27 2.04 -0.39 -1.62 117.51 122.18 2qkr h ILE 206 Ca 0.02 -0.82 0.06 0.00 1.00 0.00 0.00 64.86 65.12 2qkr h ILE 206 Cb 1.02 0.95 -0.08 0.00 -0.74 0.00 0.00 36.82 37.98 2qkr h ILE 206 CO 0.09 0.29 -0.32 1.23 0.00 0.00 0.00 178.15 179.44 2qkr h GLY 207 N 0.55 -0.32 1.68 5.37 0.00 -0.60 0.37 103.07 110.13 2qkr h GLY 207 Ca 0.13 0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.86 2qkr h GLY 207 CO 0.00 -0.21 0.20 0.00 0.00 0.00 0.00 176.54 176.54 2qkr h ILE 209 N 0.44 1.34 -0.05 0.00 2.04 -0.50 -1.24 117.51 119.54 2qkr h ILE 209 Ca 0.12 -1.86 0.04 0.00 1.00 0.00 0.00 64.86 64.15 2qkr h ILE 209 Cb -0.04 2.14 -0.05 0.00 -0.74 0.00 0.00 36.82 38.14 2qkr h ILE 209 CO -0.02 0.57 -0.24 0.15 0.00 0.00 0.00 178.15 178.61 2qkr h PHE 210 N 0.23 -0.64 -0.97 1.37 3.57 0.41 -0.03 116.94 120.88 2qkr h PHE 210 Ca -0.04 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.52 2qkr h PHE 210 Cb 1.21 0.29 -0.06 0.00 2.79 0.00 0.00 35.95 40.19 2qkr h PHE 210 CO 0.11 -0.32 0.63 0.00 -2.23 0.00 0.00 178.31 176.49 2qkr h ALA 211 N 0.54 1.29 -0.36 2.41 0.00 -1.12 -2.32 119.26 119.70 2qkr h ALA 211 Ca 0.08 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2qkr h ALA 211 Cb 0.45 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2qkr h ALA 211 CO -0.25 0.51 0.05 1.49 0.00 0.00 0.00 179.25 181.05 2qkr h GLU 212 N 1.22 0.53 0.00 0.00 4.81 -0.24 -2.39 114.58 118.51 2qkr h GLU 212 Ca 0.39 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.47 2qkr h GLU 212 Cb 0.01 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 2qkr h GLU 212 CO -0.13 0.52 -0.23 0.52 -0.73 0.00 0.00 179.01 178.97 2qkr h MET 213 N 0.52 0.00 0.00 1.92 2.86 -0.48 0.84 114.93 120.59 2qkr h MET 213 Ca 0.12 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.73 2qkr h MET 213 Cb 0.26 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 2qkr h MET 213 CO 0.00 0.23 -0.22 0.82 1.06 0.00 0.00 176.91 178.80 2qkr h ILE 214 N 0.00 0.67 0.00 -1.22 2.04 -1.26 -0.53 117.51 117.21 2qkr h ILE 214 Ca -0.00 -1.56 -0.06 0.00 1.00 0.00 0.00 64.86 64.24 2qkr h ILE 214 Cb 0.73 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 2qkr h ILE 214 CO 0.03 0.23 -0.30 0.71 0.00 0.00 0.00 178.15 178.81 2qkr h THR 215 N -1.00 0.54 0.00 -0.27 1.35 -1.54 -3.35 112.91 108.64 2qkr h THR 215 Ca -0.04 -1.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.13 2qkr h THR 215 Cb 0.54 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 2qkr h THR 215 CO -0.02 0.30 0.00 0.61 -0.25 0.00 0.00 175.52 176.15 2qkr n GLY 216 N 1.06 1.44 3.28 5.82 0.00 0.28 -3.26 105.19 113.81 2qkr n GLY 216 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 2qkr n GLY 216 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qkr s LYS 217 N -0.45 1.40 0.20 1.61 0.00 -1.16 -4.76 119.74 116.59 2qkr s LYS 217 Ca 0.00 -1.05 -0.32 0.00 0.00 0.00 0.00 55.97 54.61 2qkr s LYS 217 Cb 0.00 -1.59 -0.12 0.00 0.00 0.00 0.00 37.83 36.12 2qkr s LYS 217 CO 0.00 0.40 1.73 -1.25 0.00 0.00 0.00 175.35 176.23 2qkr s PRO 218 N -1.41 4.12 0.15 1.78 0.04 -1.26 -4.12 135.00 134.30 2qkr s PRO 218 Ca 0.08 2.61 -0.14 0.00 0.04 0.00 0.00 61.00 63.60 2qkr s PRO 218 Cb -0.09 -3.11 0.03 0.00 0.04 0.00 0.00 34.50 31.36 2qkr s PRO 218 CO 0.03 -0.76 1.68 1.25 0.04 0.00 0.00 177.00 179.23 2qkr h LEU 219 N 6.94 0.70 -5.84 -3.56 5.85 -1.91 -3.36 115.31 114.13 2qkr h LEU 219 Ca -0.43 -0.20 -0.58 0.00 0.84 0.00 0.00 57.88 57.51 2qkr h LEU 219 Cb 1.20 -0.18 -0.41 0.00 0.37 0.00 0.00 40.66 41.64 2qkr h LEU 219 CO 0.96 0.71 -0.76 0.49 -0.34 0.00 0.00 178.44 179.50 2qkr n PHE 220 N -4.52 2.73 -2.00 1.25 3.72 -1.26 -5.01 117.46 112.38 2qkr n PHE 220 Ca 0.01 -3.97 -0.42 0.00 -0.05 0.00 0.00 57.45 53.02 2qkr n PHE 220 Cb 0.18 -0.49 0.00 0.00 -0.94 0.00 0.00 39.48 38.24 2qkr n PHE 220 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2qkr n PRO 221 N 0.50 3.15 -1.57 -1.08 -0.04 -1.26 -4.69 135.00 130.02 2qkr n PRO 221 Ca 0.28 -2.97 -0.49 0.00 -0.04 0.00 0.00 63.50 60.28 2qkr n PRO 221 Cb 0.45 -3.16 -0.04 0.00 -0.04 0.00 0.00 33.50 30.71 2qkr n PRO 221 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qkr n GLY 222 N 3.68 -0.05 0.22 0.55 0.00 -1.26 -4.90 105.19 103.43 2qkr n GLY 222 Ca 0.47 0.54 -0.11 0.00 0.00 0.00 0.00 46.02 46.92 2qkr n GLY 222 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2qkr h VAL 223 N 2.60 1.31 -2.03 1.61 -1.51 -1.93 -3.46 116.25 112.84 2qkr h VAL 223 Ca -0.43 -1.76 -0.60 0.00 -1.23 0.00 0.00 66.70 62.68 2qkr h VAL 223 Cb 1.35 1.71 -0.13 0.00 -2.13 0.00 0.00 31.29 32.09 2qkr h VAL 223 CO 0.69 0.56 -0.51 0.42 -1.23 0.00 0.00 177.57 177.50 2qkr s THR 224 N -4.05 0.70 0.29 7.19 -4.23 -1.26 -5.03 115.64 109.25 2qkr s THR 224 Ca -0.08 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.45 2qkr s THR 224 Cb 0.11 -2.27 0.10 0.00 1.34 0.00 0.00 72.50 71.78 2qkr s THR 224 CO 0.85 0.00 1.77 0.44 -0.54 0.00 0.00 174.62 177.15 2qkr h ASP 225 N 1.65 0.52 1.14 3.99 5.19 -2.00 -2.91 116.42 123.99 2qkr h ASP 225 Ca -0.37 -0.15 0.00 0.00 -0.62 0.00 0.00 57.03 55.89 2qkr h ASP 225 Cb 1.29 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.66 2qkr h ASP 225 CO 0.60 0.69 0.00 0.44 -3.12 0.00 0.00 179.24 177.85 2qkr h ASP 226 N 0.49 0.00 0.42 6.45 5.19 -1.98 -3.05 116.42 123.94 2qkr h ASP 226 Ca 0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 2qkr h ASP 226 Cb 0.54 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.05 2qkr h ASP 226 CO 0.03 0.00 -0.33 -0.67 -3.12 0.00 0.00 179.24 175.15 2qkr n ASP 227 N -2.53 0.65 0.19 6.45 2.03 -1.10 -4.47 116.55 117.77 2qkr n ASP 227 Ca 0.03 -0.46 -0.14 0.00 0.52 0.00 0.00 54.79 54.73 2qkr n ASP 227 Cb 0.33 0.12 -0.08 0.00 -0.72 0.00 0.00 41.12 40.77 2qkr n ASP 227 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 2qkr h GLN 228 N 0.49 -0.43 -0.05 -0.67 5.75 -1.59 0.43 115.11 119.03 2qkr h GLN 228 Ca 0.00 0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2qkr h GLN 228 Cb 0.48 0.10 -0.00 0.00 1.07 0.00 0.00 27.48 29.13 2qkr h GLN 228 CO 0.00 -0.18 0.03 -0.07 -2.65 0.00 0.00 178.83 175.96 2qkr h LEU 229 N -0.63 0.07 -0.57 -2.39 3.38 -1.82 -0.32 115.31 113.03 2qkr h LEU 229 Ca -0.05 -0.06 0.10 0.00 0.09 0.00 0.00 57.88 57.96 2qkr h LEU 229 Cb 0.45 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.11 2qkr h LEU 229 CO 0.08 0.11 0.15 -0.65 0.09 0.00 0.00 178.44 178.21 2qkr h PRO 230 N 0.02 0.28 -0.11 1.13 0.11 -1.77 -0.18 132.00 131.48 2qkr h PRO 230 Ca 0.02 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.15 2qkr h PRO 230 Cb 0.06 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.06 2qkr h PRO 230 CO -0.00 0.19 -0.14 -0.22 -0.21 0.00 0.00 178.00 177.61 2qkr h LYS 231 N 0.29 -0.18 -0.18 1.05 1.63 0.10 0.11 116.57 119.40 2qkr h LYS 231 Ca 0.29 0.01 0.05 0.00 -0.85 0.00 0.00 60.65 60.16 2qkr h LYS 231 Cb 0.41 0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 32.01 2qkr h LYS 231 CO -0.35 -0.12 -0.27 0.82 -3.45 0.00 0.00 179.45 176.07 2qkr h ILE 232 N -0.18 0.35 -0.26 2.00 2.04 -0.43 -2.53 117.51 118.50 2qkr h ILE 232 Ca 0.08 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.88 2qkr h ILE 232 Cb 0.30 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2qkr h ILE 232 CO -0.22 0.00 -0.14 -0.26 0.00 0.00 0.00 178.15 177.53 2qkr h PHE 233 N -0.32 0.46 0.00 1.37 0.04 -0.75 -0.76 116.94 116.98 2qkr h PHE 233 Ca 0.12 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.82 2qkr h PHE 233 Cb 0.50 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.52 2qkr h PHE 233 CO -0.39 0.56 0.00 0.66 -0.60 0.00 0.00 178.31 178.54 2qkr h SER 234 N 0.40 0.00 0.00 2.17 4.64 -0.33 0.57 113.55 121.01 2qkr h SER 234 Ca 0.07 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.20 2qkr h SER 234 Cb 0.49 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.55 2qkr h SER 234 CO 0.03 0.00 -1.69 -0.38 -0.87 0.00 0.00 176.83 173.91 2qkr n ILE 235 N -2.39 0.69 1.12 0.95 5.41 -0.90 -4.69 119.36 119.56 2qkr n ILE 235 Ca -0.01 -0.22 0.13 0.00 1.00 0.00 0.00 62.75 63.64 2qkr n ILE 235 Cb 0.06 -1.31 0.22 0.00 -0.71 0.00 0.00 39.64 37.91 2qkr n ILE 235 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2qkr n LEU 236 N -3.22 2.59 0.00 1.39 4.77 -0.34 -0.86 117.00 121.33 2qkr n LEU 236 Ca -0.23 -0.88 0.00 0.00 -0.03 0.00 0.00 56.01 54.87 2qkr n LEU 236 Cb 0.70 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 2qkr n LEU 236 CO 0.06 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2qkr n GLY 237 N 1.30 -1.61 3.73 -0.72 0.00 0.20 -4.32 105.19 103.78 2qkr n GLY 237 Ca 0.16 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 2qkr n GLY 237 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qkr s THR 238 N -3.43 3.75 0.60 2.61 2.01 -0.86 -4.44 115.64 115.87 2qkr s THR 238 Ca 0.00 1.41 -0.18 0.00 0.31 0.00 0.00 61.69 63.23 2qkr s THR 238 Cb 0.00 -3.90 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 2qkr s THR 238 CO 0.00 0.20 1.16 -2.16 -0.69 0.00 0.00 174.62 173.13 2qkr s PRO 239 N 0.07 3.00 0.03 4.92 0.04 -1.26 -4.81 135.00 137.00 2qkr s PRO 239 Ca 0.54 1.66 0.09 0.00 0.04 0.00 0.00 61.00 63.32 2qkr s PRO 239 Cb -0.31 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 2qkr s PRO 239 CO 0.34 -1.14 -0.25 0.54 0.04 0.00 0.00 177.00 176.54 2qkr s ASN 240 N -1.89 2.95 0.53 6.66 6.03 -1.26 -5.03 114.94 122.92 2qkr s ASN 240 Ca 0.73 -0.55 0.23 0.00 -1.03 0.00 0.00 52.86 52.24 2qkr s ASN 240 Cb -0.26 -0.27 1.36 0.00 -3.03 0.00 0.00 41.25 39.04 2qkr s ASN 240 CO 0.33 0.24 2.04 -0.65 -2.03 0.00 0.00 177.10 177.04 2qkr h PRO 241 N 4.94 0.01 0.02 3.55 0.11 -1.95 -1.29 132.00 137.38 2qkr h PRO 241 Ca -0.45 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.68 2qkr h PRO 241 Cb 1.14 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2qkr h PRO 241 CO 0.44 0.00 -0.10 0.00 -0.21 0.00 0.00 178.00 178.14 2qkr h ARG 242 N 0.01 -0.17 0.14 1.05 -0.00 -1.96 -2.28 114.38 111.17 2qkr h ARG 242 Ca 0.18 0.01 -0.22 0.00 -0.50 0.00 0.00 59.98 59.45 2qkr h ARG 242 Cb 0.73 0.04 0.02 0.00 0.00 0.00 0.00 29.97 30.76 2qkr h ARG 242 CO -0.00 -0.12 -0.95 0.93 0.00 0.00 0.00 179.97 179.83 2qkr h GLU 243 N -0.18 0.40 -3.26 0.04 3.07 -1.95 -3.41 114.58 109.29 2qkr h GLU 243 Ca 0.03 -0.62 -0.64 0.00 -0.50 0.00 0.00 59.36 57.64 2qkr h GLU 243 Cb 0.22 0.22 -0.41 0.00 -0.84 0.00 0.00 28.75 27.94 2qkr h GLU 243 CO -0.09 1.28 -0.56 -0.46 -1.40 0.00 0.00 179.01 177.78 2qkr s TRP 244 N -2.62 3.41 -1.53 4.33 -0.00 -0.51 -4.98 118.94 117.04 2qkr s TRP 244 Ca -0.12 -3.22 0.09 0.00 -0.00 0.00 0.00 56.10 52.85 2qkr s TRP 244 Cb 0.02 -2.82 0.46 0.00 -0.00 0.00 0.00 33.47 31.13 2qkr s TRP 244 CO 0.86 -0.66 1.12 -2.30 -0.00 0.00 0.00 176.95 175.98 2qkr n PRO 245 N 2.57 0.15 0.00 5.86 -0.02 -0.86 -3.19 135.00 139.51 2qkr n PRO 245 Ca 0.13 0.17 0.05 0.00 -2.02 0.00 0.00 63.50 61.83 2qkr n PRO 245 Cb 0.34 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.33 2qkr n PRO 245 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2qkr n GLN 246 N -1.24 1.57 -0.20 -0.52 6.02 -1.26 -4.08 117.38 117.67 2qkr n GLN 246 Ca 0.05 -0.79 -0.00 0.00 -0.01 0.00 0.00 57.00 56.24 2qkr n GLN 246 Cb 0.06 -1.13 0.11 0.00 1.02 0.00 0.00 30.24 30.29 2qkr n GLN 246 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 2qkr h VAL 247 N 1.48 0.78 -0.99 5.09 -1.51 -1.93 -2.74 116.25 116.42 2qkr h VAL 247 Ca 0.00 -0.14 0.28 0.00 -1.23 0.00 0.00 66.70 65.61 2qkr h VAL 247 Cb 0.39 0.33 -0.04 0.00 -2.13 0.00 0.00 31.29 29.84 2qkr h VAL 247 CO 0.00 0.07 0.71 1.56 -1.23 0.00 0.00 177.57 178.68 2qkr h GLN 248 N 0.41 0.03 -0.04 5.19 4.20 -1.83 0.32 115.11 123.39 2qkr h GLN 248 Ca 0.30 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 2qkr h GLN 248 Cb 0.37 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.14 2qkr h GLN 248 CO -0.30 0.02 0.00 0.39 -0.67 0.00 0.00 178.83 178.27 2qkr n GLU 249 N -4.26 1.30 -3.53 1.46 -0.58 -1.03 -4.60 120.64 109.39 2qkr n GLU 249 Ca 0.21 -0.44 -0.37 0.00 -0.42 0.00 0.00 57.16 56.14 2qkr n GLU 249 Cb 1.03 -1.41 -0.07 0.00 -0.57 0.00 0.00 31.44 30.43 2qkr n GLU 249 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2qkr s LEU 250 N -1.77 4.30 0.44 -4.62 1.43 0.11 -5.00 118.68 113.56 2qkr s LEU 250 Ca 0.36 0.62 0.22 0.00 -1.03 0.00 0.00 54.13 54.30 2qkr s LEU 250 Cb 0.18 -2.42 1.20 0.00 0.03 0.00 0.00 46.19 45.18 2qkr s LEU 250 CO 0.29 0.15 1.81 -0.65 0.23 0.00 0.00 176.35 178.18 2qkr h PRO 251 N 6.23 0.29 -0.01 1.29 0.11 -1.85 -0.12 132.00 137.94 2qkr h PRO 251 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2qkr h PRO 251 Cb 1.18 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2qkr h PRO 251 CO 0.72 0.19 -0.40 -0.11 -0.21 0.00 0.00 178.00 178.19 2qkr n LEU 252 N -4.50 1.13 0.09 2.35 -0.00 -0.78 -3.37 117.00 111.92 2qkr n LEU 252 Ca 0.23 -0.33 -0.19 0.00 -0.00 0.00 0.00 56.01 55.72 2qkr n LEU 252 Cb 0.90 -0.11 -0.15 0.00 -0.00 0.00 0.00 43.42 44.06 2qkr n LEU 252 CO 0.30 0.22 -0.28 -0.25 -0.00 0.00 0.00 177.39 177.38 2qkr h TRP 253 N 1.14 0.59 0.00 1.96 2.91 -1.24 -2.99 115.95 118.32 2qkr h TRP 253 Ca 0.00 -0.43 -0.12 0.00 1.13 0.00 0.00 58.89 59.47 2qkr h TRP 253 Cb 0.55 -0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 29.16 2qkr h TRP 253 CO 0.00 1.43 -0.57 0.87 -1.03 0.00 0.00 178.44 179.14 2qkr h LYS 254 N 0.09 0.00 -0.02 2.65 1.57 -1.64 -3.26 116.57 115.95 2qkr h LYS 254 Ca -0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2qkr h LYS 254 Cb 2.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.36 2qkr h LYS 254 CO 0.19 0.57 -0.07 0.94 -0.57 0.00 0.00 179.45 180.51 2qkr n GLN 255 N -3.61 1.79 -3.66 3.15 -0.06 -1.22 -4.93 117.38 108.85 2qkr n GLN 255 Ca -0.00 -1.29 -0.14 0.00 -2.00 0.00 0.00 57.00 53.56 2qkr n GLN 255 Cb 0.63 -1.47 -0.08 0.00 -4.06 0.00 0.00 30.24 25.25 2qkr n GLN 255 CO 0.00 0.00 0.00 0.50 -0.20 0.00 0.00 177.06 177.36 2qkr s ARG 256 N -2.10 0.72 0.04 3.69 3.52 -1.13 -5.06 118.95 118.63 2qkr s ARG 256 Ca 0.31 0.69 0.01 0.00 -0.13 0.00 0.00 55.73 56.61 2qkr s ARG 256 Cb 0.20 0.35 -0.04 0.00 -1.56 0.00 0.00 34.95 33.90 2qkr s ARG 256 CO 0.36 -0.11 0.11 0.95 -0.81 0.00 0.00 175.30 175.79 2qkr s THR 257 N 0.05 4.79 0.01 4.11 -4.23 -1.26 -4.58 115.64 114.53 2qkr s THR 257 Ca -0.02 -0.53 0.08 0.00 -1.18 0.00 0.00 61.69 60.04 2qkr s THR 257 Cb -0.04 -3.26 -0.03 0.00 1.34 0.00 0.00 72.50 70.51 2qkr s THR 257 CO 0.02 0.23 -0.24 -0.36 -0.54 0.00 0.00 174.62 173.73 2qkr s PHE 258 N -1.33 2.40 0.31 3.99 0.40 -1.26 -5.10 117.98 117.39 2qkr s PHE 258 Ca 0.28 -0.37 -0.29 0.00 -0.60 0.00 0.00 56.93 55.94 2qkr s PHE 258 Cb -0.12 -1.46 -0.12 0.00 0.51 0.00 0.00 43.02 41.82 2qkr s PHE 258 CO 0.20 0.10 1.46 0.94 0.70 0.00 0.00 175.22 178.62 2qkr n GLN 259 N 2.02 2.41 -3.17 0.44 7.27 -1.26 -4.94 117.38 120.14 2qkr n GLN 259 Ca -0.16 0.85 -0.41 0.00 0.07 0.00 0.00 57.00 57.34 2qkr n GLN 259 Cb 0.52 -2.55 -0.07 0.00 2.41 0.00 0.00 30.24 30.55 2qkr n GLN 259 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2qkr s VAL 260 N -0.46 4.96 0.17 1.69 1.01 -1.26 -4.77 120.40 121.74 2qkr s VAL 260 Ca 0.61 0.56 0.07 0.00 0.00 0.00 0.00 61.98 63.22 2qkr s VAL 260 Cb -0.55 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 31.79 2qkr s VAL 260 CO 0.55 -0.22 0.00 -0.36 0.00 0.00 0.00 175.10 175.07 2qkr s PHE 261 N 2.54 2.86 0.46 5.22 0.40 -1.26 -4.94 117.98 123.26 2qkr s PHE 261 Ca 0.22 -0.13 -0.02 0.00 -0.60 0.00 0.00 56.93 56.40 2qkr s PHE 261 Cb -0.15 -1.39 -0.02 0.00 0.51 0.00 0.00 43.02 41.97 2qkr s PHE 261 CO 0.13 0.51 0.71 -1.21 0.70 0.00 0.00 175.22 176.07 2qkr s GLU 262 N -2.88 3.31 0.26 0.44 2.02 -1.26 -2.02 118.70 118.56 2qkr s GLU 262 Ca 0.27 -0.14 -0.30 0.00 0.02 0.00 0.00 54.97 54.82 2qkr s GLU 262 Cb -0.10 -2.48 -0.09 0.00 0.10 0.00 0.00 34.13 31.56 2qkr s GLU 262 CO 0.19 -0.21 1.25 0.21 0.02 0.00 0.00 175.26 176.71 2qkr s LYS 263 N -4.62 4.45 0.05 1.61 2.20 -1.26 -3.71 119.74 118.45 2qkr s LYS 263 Ca 0.47 2.02 -0.30 0.00 -0.36 0.00 0.00 55.97 57.80 2qkr s LYS 263 Cb -0.10 -3.16 -0.05 0.00 -1.51 0.00 0.00 37.83 33.01 2qkr s LYS 263 CO 0.41 -0.10 1.11 0.15 -0.36 0.00 0.00 175.35 176.56 2qkr s LYS 264 N -0.96 4.50 0.32 4.03 1.02 -0.04 -4.89 119.74 123.72 2qkr s LYS 264 Ca 0.51 1.64 -0.27 0.00 0.02 0.00 0.00 55.97 57.86 2qkr s LYS 264 Cb -0.36 -3.38 -0.13 0.00 -0.52 0.00 0.00 37.83 33.44 2qkr s LYS 264 CO 0.43 -0.14 1.07 -0.35 -0.92 0.00 0.00 175.35 175.44 2qkr n PRO 265 N 3.73 1.52 0.32 -1.68 -0.04 -1.26 -4.80 135.00 132.79 2qkr n PRO 265 Ca 0.07 0.53 0.15 0.00 -0.04 0.00 0.00 63.50 64.22 2qkr n PRO 265 Cb 0.48 -1.97 0.78 0.00 -0.04 0.00 0.00 33.50 32.75 2qkr n PRO 265 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2qkr h TRP 266 N 2.04 0.00 -0.10 0.54 4.06 -1.96 -1.25 115.95 119.27 2qkr h TRP 266 Ca -0.42 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.50 2qkr h TRP 266 Cb 1.33 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.48 2qkr h TRP 266 CO 0.48 0.00 -0.09 0.77 -3.56 0.00 0.00 178.44 176.03 2qkr h SER 267 N 0.00 0.14 0.04 -3.49 0.02 -1.87 -1.68 113.55 106.71 2qkr h SER 267 Ca 0.02 -0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 60.79 2qkr h SER 267 Cb 0.75 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.23 2qkr h SER 267 CO -0.00 0.26 -2.12 -1.54 -1.14 0.00 0.00 176.83 172.29 2qkr n SER 268 N -4.34 0.04 -0.04 3.07 3.41 -0.48 -3.43 113.62 111.85 2qkr n SER 268 Ca -0.01 0.02 -0.14 0.00 -0.26 0.00 0.00 58.87 58.48 2qkr n SER 268 Cb 0.22 1.52 -0.11 0.00 -0.26 0.00 0.00 64.21 65.58 2qkr n SER 268 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2qkr h ILE 269 N 0.00 1.56 -2.46 -1.33 2.04 -1.47 -3.41 117.51 112.44 2qkr h ILE 269 Ca -0.22 -1.72 -0.59 0.00 1.00 0.00 0.00 64.86 63.33 2qkr h ILE 269 Cb 1.52 2.69 -0.40 0.00 -0.74 0.00 0.00 36.82 39.89 2qkr h ILE 269 CO 0.01 0.45 -0.86 2.30 0.00 0.00 0.00 178.15 180.06 2qkr n ILE 270 N -4.69 -0.03 -1.77 -0.67 -5.35 -0.64 -4.96 119.36 101.25 2qkr n ILE 270 Ca -0.09 -4.08 -0.42 0.00 -0.27 0.00 0.00 62.75 57.89 2qkr n ILE 270 Cb 0.38 -1.89 -0.03 0.00 -1.74 0.00 0.00 39.64 36.37 2qkr n ILE 270 CO 0.00 0.00 0.00 -2.84 -1.76 0.00 0.00 176.55 171.95 2qkr s PRO 271 N -0.82 4.14 0.00 6.28 0.02 -1.22 -3.19 135.00 140.22 2qkr s PRO 271 Ca 0.32 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.89 2qkr s PRO 271 Cb 0.05 -3.24 0.00 0.00 0.02 0.00 0.00 34.50 31.34 2qkr s PRO 271 CO -0.16 -0.75 0.00 0.41 -0.33 0.00 0.00 177.00 176.17 2qkr n GLY 272 N 4.01 0.51 3.82 0.52 0.00 -1.26 -5.03 105.19 107.76 2qkr n GLY 272 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 2qkr n GLY 272 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qkr s PHE 273 N -2.14 3.35 0.46 1.61 2.19 -1.19 -5.01 117.98 117.23 2qkr s PHE 273 Ca 0.00 1.57 -0.24 0.00 0.33 0.00 0.00 56.93 58.58 2qkr s PHE 273 Cb 0.00 -2.81 -0.07 0.00 -1.31 0.00 0.00 43.02 38.82 2qkr s PHE 273 CO 0.00 -0.06 1.32 0.00 1.83 0.00 0.00 175.22 178.31 2qkr h GLN 275 N 2.22 0.40 -0.79 0.00 5.75 -1.99 -0.44 115.11 120.25 2qkr h GLN 275 Ca -0.50 -0.02 0.13 0.00 -0.15 0.00 0.00 58.65 58.11 2qkr h GLN 275 Cb 1.26 -0.09 -0.09 0.00 1.07 0.00 0.00 27.48 29.63 2qkr h GLN 275 CO 0.61 0.26 0.38 0.93 -2.65 0.00 0.00 178.83 178.36 2qkr h GLU 276 N 0.41 0.56 -0.18 1.69 3.07 -1.98 0.59 114.58 118.74 2qkr h GLU 276 Ca 0.33 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.15 2qkr h GLU 276 Cb 0.44 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 2qkr h GLU 276 CO -0.34 0.37 0.06 0.78 -1.40 0.00 0.00 179.01 178.49 2qkr h GLY 277 N 0.58 0.30 0.64 -3.84 0.00 -1.47 -2.03 103.07 97.24 2qkr h GLY 277 Ca 0.42 -0.17 0.05 0.00 0.00 0.00 0.00 47.33 47.63 2qkr h GLY 277 CO -0.35 0.16 0.11 -2.22 0.00 0.00 0.00 176.54 174.24 2qkr h ILE 278 N 0.13 0.87 -0.24 2.60 2.04 -0.68 0.13 117.51 122.36 2qkr h ILE 278 Ca 0.06 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 65.88 2qkr h ILE 278 Cb 0.21 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 2qkr h ILE 278 CO -0.00 0.05 -0.08 -0.78 0.00 0.00 0.00 178.15 177.33 2qkr h ASP 279 N 0.25 -0.29 0.08 1.72 1.82 -0.82 0.62 116.42 119.79 2qkr h ASP 279 Ca 0.17 0.08 -0.00 0.00 -0.39 0.00 0.00 57.03 56.89 2qkr h ASP 279 Cb 0.16 0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.35 2qkr h ASP 279 CO -0.19 -0.11 -0.04 0.25 -1.61 0.00 0.00 179.24 177.54 2qkr h LEU 280 N -0.04 -0.09 -0.97 2.28 5.85 -0.91 -1.78 115.31 119.66 2qkr h LEU 280 Ca 0.12 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.86 2qkr h LEU 280 Cb 0.22 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 2qkr h LEU 280 CO -0.27 -0.02 0.63 0.25 -0.34 0.00 0.00 178.44 178.69 2qkr h LEU 281 N -0.14 1.01 -0.93 2.25 5.85 -0.44 -1.17 115.31 121.74 2qkr h LEU 281 Ca -0.01 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 2qkr h LEU 281 Cb 0.12 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2qkr h LEU 281 CO 0.02 0.66 -0.25 0.77 -0.34 0.00 0.00 178.44 179.29 2qkr h SER 282 N 1.16 0.50 0.92 1.25 4.64 -0.68 -1.05 113.55 120.29 2qkr h SER 282 Ca 0.41 -0.17 -0.02 0.00 -0.47 0.00 0.00 61.79 61.54 2qkr h SER 282 Cb 0.13 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2qkr h SER 282 CO -0.16 0.74 -0.11 0.78 -0.87 0.00 0.00 176.83 177.21 2qkr h ASN 283 N 0.44 0.00 1.51 4.97 2.35 -0.54 -2.74 115.58 121.56 2qkr h ASN 283 Ca 0.06 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.73 2qkr h ASN 283 Cb 0.67 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 2qkr h ASN 283 CO 0.05 0.11 -0.50 0.24 -1.65 0.00 0.00 177.43 175.69 2qkr h MET 284 N 0.00 0.00 -0.29 0.81 2.86 -0.04 -2.25 114.93 116.02 2qkr h MET 284 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2qkr h MET 284 Cb 0.61 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.27 2qkr h MET 284 CO 0.01 0.35 0.00 1.28 1.06 0.00 0.00 176.91 179.61 2qkr n LEU 285 N -3.14 2.75 -4.78 1.22 4.32 -0.64 -4.08 117.00 112.64 2qkr n LEU 285 Ca 0.01 -1.77 -0.35 0.00 -0.02 0.00 0.00 56.01 53.89 2qkr n LEU 285 Cb 0.69 -0.19 -0.01 0.00 -1.62 0.00 0.00 43.42 42.29 2qkr n LEU 285 CO 0.39 0.66 0.76 0.00 -1.22 0.00 0.00 177.39 177.98 2qkr h PHE 287 N 1.31 0.00 -3.19 0.00 0.04 -1.94 -3.43 116.94 109.73 2qkr h PHE 287 Ca -0.50 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 59.68 2qkr h PHE 287 Cb 1.25 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 39.29 2qkr h PHE 287 CO 0.53 0.62 0.70 0.34 -0.60 0.00 0.00 178.31 179.90 2qkr s ASP 288 N -6.81 6.37 0.63 2.17 -1.08 -1.26 -4.87 116.67 111.82 2qkr s ASP 288 Ca -0.01 -0.20 0.34 0.00 -0.52 0.00 0.00 52.55 52.16 2qkr s ASP 288 Cb 0.12 -2.47 1.91 0.00 -1.46 0.00 0.00 42.92 41.02 2qkr s ASP 288 CO 0.76 -1.31 2.15 -0.65 0.52 0.00 0.00 175.17 176.64 2qkr h PRO 289 N 9.39 0.00 0.00 4.34 0.11 -1.96 0.54 132.00 144.42 2qkr h PRO 289 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2qkr h PRO 289 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2qkr h PRO 289 CO 1.12 0.00 0.00 -0.91 -0.21 0.00 0.00 178.00 178.00 2qkr h ASN 290 N 0.00 0.00 0.00 -2.05 2.35 -1.96 -3.27 115.58 110.65 2qkr h ASN 290 Ca 0.03 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.70 2qkr h ASN 290 Cb 0.36 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 2qkr h ASN 290 CO -0.00 0.00 -1.97 0.29 -1.65 0.00 0.00 177.43 174.10 2qkr n LYS 291 N -2.34 0.71 -1.82 0.81 5.02 0.18 -4.97 118.16 115.75 2qkr n LYS 291 Ca 0.05 -0.13 -0.41 0.00 -2.02 0.00 0.00 58.31 55.80 2qkr n LYS 291 Cb 0.43 -1.46 -0.01 0.00 -0.02 0.00 0.00 35.03 33.98 2qkr n LYS 291 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2qkr s ARG 292 N -3.10 4.13 0.48 1.97 3.52 -0.83 -4.95 118.95 120.17 2qkr s ARG 292 Ca -0.08 2.54 -0.23 0.00 -0.13 0.00 0.00 55.73 57.84 2qkr s ARG 292 Cb 0.10 -3.00 -0.07 0.00 -1.56 0.00 0.00 34.95 30.43 2qkr s ARG 292 CO 0.78 -0.54 1.20 -1.50 -0.81 0.00 0.00 175.30 174.44 2qkr s ILE 293 N -0.76 2.91 0.47 4.11 2.07 -0.85 -5.01 121.20 124.14 2qkr s ILE 293 Ca 0.56 0.67 -0.13 0.00 -1.41 0.00 0.00 60.65 60.34 2qkr s ILE 293 Cb -0.46 -3.34 -0.07 0.00 0.13 0.00 0.00 42.46 38.72 2qkr s ILE 293 CO 0.58 -0.01 0.89 -0.94 -1.91 0.00 0.00 174.94 173.54 2qkr s SER 294 N -1.30 6.53 0.18 4.50 1.04 -1.26 -4.91 113.70 118.49 2qkr s SER 294 Ca 0.66 1.34 -0.15 0.00 0.48 0.00 0.00 55.95 58.27 2qkr s SER 294 Cb -0.31 -2.41 0.16 0.00 0.10 0.00 0.00 66.02 63.56 2qkr s SER 294 CO 0.37 -0.53 1.66 0.00 0.98 0.00 0.00 173.24 175.73 2qkr h ALA 295 N 0.94 0.37 0.11 5.32 0.00 -1.95 -0.23 119.26 123.81 2qkr h ALA 295 Ca -0.47 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2qkr h ALA 295 Cb 1.19 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2qkr h ALA 295 CO 0.63 -0.43 -0.05 -0.09 0.00 0.00 0.00 179.25 179.31 2qkr h ARG 296 N 0.04 -0.14 -0.96 0.00 9.65 -1.94 -1.87 114.38 119.16 2qkr h ARG 296 Ca 0.23 0.01 0.09 0.00 -1.10 0.00 0.00 59.98 59.22 2qkr h ARG 296 Cb 0.36 0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 28.90 2qkr h ARG 296 CO -0.46 -0.05 0.62 -0.44 2.80 0.00 0.00 179.97 182.44 2qkr h ASP 297 N -0.19 0.92 -0.24 -3.80 3.32 -1.89 -1.87 116.42 112.66 2qkr h ASP 297 Ca -0.01 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 2qkr h ASP 297 Cb 0.15 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2qkr h ASP 297 CO 0.02 0.54 0.00 0.00 -1.72 0.00 0.00 179.24 178.08 2qkr h ALA 298 N 1.52 1.35 0.00 3.45 0.00 -0.66 -0.80 119.26 124.12 2qkr h ALA 298 Ca 0.45 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2qkr h ALA 298 Cb 0.36 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2qkr h ALA 298 CO -0.20 0.45 -0.03 0.52 0.00 0.00 0.00 179.25 179.99 2qkr h MET 299 N 0.52 0.00 -0.27 0.00 2.86 -0.52 -2.45 114.93 115.07 2qkr h MET 299 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2qkr h MET 299 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 2qkr h MET 299 CO 0.01 0.03 0.00 0.09 1.06 0.00 0.00 176.91 178.10 2qkr n ASN 300 N -3.28 3.28 -4.76 1.22 3.02 -0.32 -4.83 115.26 109.58 2qkr n ASN 300 Ca -0.02 -1.99 -0.39 0.00 -0.03 0.00 0.00 54.58 52.15 2qkr n ASN 300 Cb 0.16 -0.17 0.02 0.00 -0.61 0.00 0.00 39.78 39.18 2qkr n ASN 300 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 2qkr s HIS 301 N -1.66 2.44 0.65 3.10 2.46 -0.93 -4.88 115.29 116.47 2qkr s HIS 301 Ca 0.36 1.32 0.34 0.00 0.47 0.00 0.00 55.06 57.54 2qkr s HIS 301 Cb 0.22 -3.85 1.84 0.00 -0.13 0.00 0.00 32.58 30.66 2qkr s HIS 301 CO 0.31 -2.82 2.07 -1.35 -2.47 0.00 0.00 174.74 170.48 2qkr h PRO 302 N 2.06 0.00 -0.04 2.88 0.11 -1.93 0.98 132.00 136.06 2qkr h PRO 302 Ca -0.51 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.61 2qkr h PRO 302 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 2qkr h PRO 302 CO 0.60 0.00 0.05 -0.92 -0.21 0.00 0.00 178.00 177.52 2qkr h TYR 303 N 0.00 0.00 -0.64 0.65 3.20 -1.90 -0.46 116.97 117.83 2qkr h TYR 303 Ca 0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2qkr h TYR 303 Cb 0.49 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.76 2qkr h TYR 303 CO 0.00 0.00 0.00 1.19 -1.64 0.00 0.00 178.16 177.71 2qkr n PHE 304 N -3.70 1.67 -0.31 -3.82 3.72 0.34 -4.55 117.46 110.80 2qkr n PHE 304 Ca -0.02 -0.64 0.11 0.00 -0.05 0.00 0.00 57.45 56.84 2qkr n PHE 304 Cb 0.13 -0.32 0.32 0.00 -0.94 0.00 0.00 39.48 38.68 2qkr n PHE 304 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2qkr h LYS 305 N 4.12 0.78 0.00 -1.08 1.79 -1.16 -2.98 116.57 118.05 2qkr h LYS 305 Ca 0.00 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2qkr h LYS 305 Cb 1.61 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 32.08 2qkr h LYS 305 CO 0.30 0.52 -0.87 -0.40 -1.08 0.00 0.00 179.45 177.92 2qkr n ASP 306 N -4.61 0.68 -4.74 0.86 5.75 -1.26 -4.91 116.55 108.32 2qkr n ASP 306 Ca 0.19 -0.46 -0.40 0.00 -0.01 0.00 0.00 54.79 54.11 2qkr n ASP 306 Cb 0.45 0.71 -0.05 0.00 -1.03 0.00 0.00 41.12 41.20 2qkr n ASP 306 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2qkr s LEU 307 N -3.37 4.43 -0.02 -2.12 0.20 -1.13 -5.01 118.68 111.66 2qkr s LEU 307 Ca 0.07 1.42 -0.30 0.00 0.69 0.00 0.00 54.13 56.01 2qkr s LEU 307 Cb 0.16 -3.21 -0.07 0.00 -0.43 0.00 0.00 46.19 42.64 2qkr s LEU 307 CO 0.79 -0.00 1.79 -0.62 -0.29 0.00 0.00 176.35 178.02 2qkr s ASP 308 N 0.06 6.57 0.00 3.68 2.15 -1.26 -4.87 116.67 122.99 2qkr s ASP 308 Ca 0.38 2.41 0.23 0.00 0.43 0.00 0.00 52.55 56.00 2qkr s ASP 308 Cb -0.20 -2.53 1.37 0.00 -0.30 0.00 0.00 42.92 41.25 2qkr s ASP 308 CO 0.22 -0.99 1.75 -0.81 -0.17 0.00 0.00 175.17 175.17 2qkr n PRO 309 N 7.32 0.74 -0.63 4.34 -0.04 -1.26 -5.17 135.00 140.29 2qkr n PRO 309 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 2qkr n PRO 309 Cb 0.42 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 2qkr n PRO 309 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50