#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcu n HIS 30 N 0.00 -1.01 -0.26 5.64 -0.00 -1.26 -4.68 115.22 113.65 3kcu n HIS 30 Ca 0.00 0.59 0.16 0.00 0.46 0.00 0.00 57.72 58.93 3kcu n HIS 30 Cb 0.00 -2.15 0.44 0.00 -0.12 0.00 0.00 29.99 28.16 3kcu n HIS 30 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3kcu h PRO 31 N 0.91 0.53 -0.18 1.57 0.11 -2.04 -2.65 132.00 130.25 3kcu h PRO 31 Ca -0.09 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.85 3kcu h PRO 31 Cb 0.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.19 3kcu h PRO 31 CO 0.00 0.35 -0.43 1.25 -0.21 0.00 0.00 178.00 178.96 3kcu h LEU 32 N 0.55 0.68 0.27 2.35 5.85 -1.99 -1.15 115.31 121.86 3kcu h LEU 32 Ca 0.47 -0.57 0.00 0.00 0.84 0.00 0.00 57.88 58.62 3kcu h LEU 32 Cb 0.97 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 3kcu h LEU 32 CO -0.21 1.13 -0.27 0.50 -0.34 0.00 0.00 178.44 179.25 3kcu h LYS 33 N 0.27 -0.55 -0.83 1.25 3.64 -1.78 -1.85 116.57 116.72 3kcu h LYS 33 Ca -0.00 0.04 0.15 0.00 -1.27 0.00 0.00 60.65 59.57 3kcu h LYS 33 Cb 1.04 0.13 -0.10 0.00 -0.41 0.00 0.00 32.23 32.89 3kcu h LYS 33 CO 0.09 -0.37 0.40 1.15 -2.27 0.00 0.00 179.45 178.45 3kcu h THR 34 N -0.57 0.69 -0.22 1.00 2.02 -1.49 -1.11 112.91 113.22 3kcu h THR 34 Ca -0.01 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 3kcu h THR 34 Cb 0.53 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 3kcu h THR 34 CO -0.06 0.10 0.10 0.15 0.37 0.00 0.00 175.52 176.18 3kcu h PHE 35 N 0.55 0.32 -0.81 3.16 3.57 -0.84 0.95 116.94 123.84 3kcu h PHE 35 Ca 0.46 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.90 3kcu h PHE 35 Cb 0.68 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.28 3kcu h PHE 35 CO -0.12 0.33 0.34 1.88 -2.23 0.00 0.00 178.31 178.52 3kcu h TYR 36 N 0.22 1.21 -0.32 0.41 0.05 -0.76 0.46 116.97 118.24 3kcu h TYR 36 Ca 0.07 -0.08 -0.06 0.00 0.05 0.00 0.00 58.73 58.71 3kcu h TYR 36 Cb 0.13 -0.37 -0.02 0.00 1.01 0.00 0.00 36.73 37.49 3kcu h TYR 36 CO -0.02 0.90 -0.06 -0.07 -1.05 0.00 0.00 178.16 177.86 3kcu h LEU 37 N 1.17 0.49 -0.37 3.88 3.38 -0.92 -0.40 115.31 122.54 3kcu h LEU 37 Ca 0.27 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 3kcu h LEU 37 Cb 0.19 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3kcu h LEU 37 CO -0.03 0.61 -0.33 0.00 0.09 0.00 0.00 178.44 178.78 3kcu h ALA 38 N 1.45 0.54 -0.66 1.53 0.00 -0.31 -1.31 119.26 120.49 3kcu h ALA 38 Ca 0.10 -0.43 0.05 0.00 0.00 0.00 0.00 54.91 54.63 3kcu h ALA 38 Cb 0.42 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3kcu h ALA 38 CO 0.02 0.60 0.38 0.82 0.00 0.00 0.00 179.25 181.07 3kcu h ILE 39 N 0.69 1.00 -0.57 0.00 2.04 -0.49 -1.46 117.51 118.71 3kcu h ILE 39 Ca 0.07 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.69 3kcu h ILE 39 Cb 0.91 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 3kcu h ILE 39 CO 0.08 0.13 0.37 0.74 0.00 0.00 0.00 178.15 179.48 3kcu h THR 40 N 0.71 1.13 -0.21 -0.27 2.02 -0.86 -1.53 112.91 113.90 3kcu h THR 40 Ca 0.29 -0.26 -0.09 0.00 0.77 0.00 0.00 66.41 67.12 3kcu h THR 40 Cb 0.15 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 3kcu h THR 40 CO -0.16 0.14 -0.27 0.00 0.37 0.00 0.00 175.52 175.60 3kcu h ALA 41 N 1.22 1.15 -0.46 6.16 0.00 -0.89 0.13 119.26 126.57 3kcu h ALA 41 Ca 0.21 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3kcu h ALA 41 Cb -0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3kcu h ALA 41 CO -0.06 0.54 0.06 0.78 0.00 0.00 0.00 179.25 180.58 3kcu h GLY 42 N 1.03 0.82 0.93 0.00 0.00 -0.82 0.13 103.07 105.17 3kcu h GLY 42 Ca 0.05 -0.56 0.01 0.00 0.00 0.00 0.00 47.33 46.84 3kcu h GLY 42 CO 0.05 0.52 0.25 -2.08 0.00 0.00 0.00 176.54 175.28 3kcu h VAL 43 N 0.63 1.06 -0.71 4.60 2.07 -1.01 -2.22 116.25 120.66 3kcu h VAL 43 Ca 0.14 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.50 3kcu h VAL 43 Cb 0.40 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 3kcu h VAL 43 CO 0.01 0.09 0.46 -0.26 0.02 0.00 0.00 177.57 177.89 3kcu h PHE 44 N 0.51 0.86 0.00 1.57 0.04 0.02 0.02 116.94 119.96 3kcu h PHE 44 Ca 0.16 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.88 3kcu h PHE 44 Cb -0.01 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 37.84 3kcu h PHE 44 CO -0.07 0.51 -0.37 0.97 -0.60 0.00 0.00 178.31 178.76 3kcu h ILE 45 N 0.91 0.83 -0.17 -0.55 6.09 -0.71 -1.83 117.51 122.08 3kcu h ILE 45 Ca 0.28 -1.57 -0.14 0.00 -1.37 0.00 0.00 64.86 62.06 3kcu h ILE 45 Cb -0.03 1.98 0.00 0.00 0.47 0.00 0.00 36.82 39.24 3kcu h ILE 45 CO -0.09 0.37 -0.44 0.28 -3.07 0.00 0.00 178.15 175.20 3kcu h SER 46 N 0.00 0.69 -0.80 2.19 0.02 -0.75 -2.09 113.55 112.80 3kcu h SER 46 Ca -0.00 -0.58 0.11 0.00 -0.84 0.00 0.00 61.79 60.48 3kcu h SER 46 Cb 0.95 -0.20 -0.08 0.00 0.14 0.00 0.00 62.40 63.21 3kcu h SER 46 CO 0.05 1.14 0.43 0.40 -1.14 0.00 0.00 176.83 177.71 3kcu h ILE 47 N 0.26 0.85 -0.42 3.27 2.04 -0.77 0.16 117.51 122.90 3kcu h ILE 47 Ca -0.01 -0.24 0.02 0.00 1.00 0.00 0.00 64.86 65.63 3kcu h ILE 47 Cb 1.05 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 3kcu h ILE 47 CO 0.10 0.13 0.25 0.00 0.00 0.00 0.00 178.15 178.62 3kcu h ALA 48 N 1.47 0.53 -0.06 1.87 0.00 -1.00 -1.39 119.26 120.69 3kcu h ALA 48 Ca 0.40 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.12 3kcu h ALA 48 Cb 0.44 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3kcu h ALA 48 CO -0.28 -0.08 -0.76 0.35 0.00 0.00 0.00 179.25 178.48 3kcu h PHE 49 N 0.50 0.48 -0.59 0.00 3.04 -0.84 -2.02 116.94 117.51 3kcu h PHE 49 Ca 0.17 -0.22 0.02 0.00 3.98 0.00 0.00 57.97 61.91 3kcu h PHE 49 Cb 0.01 -0.07 -0.04 0.00 2.56 0.00 0.00 35.95 38.42 3kcu h PHE 49 CO -0.07 0.98 0.37 0.28 -2.02 0.00 0.00 178.31 177.85 3kcu h VAL 50 N 0.23 1.10 -0.74 1.41 2.07 -0.75 -0.89 116.25 118.68 3kcu h VAL 50 Ca -0.03 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3kcu h VAL 50 Cb 1.34 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 3kcu h VAL 50 CO 0.13 0.14 0.42 0.15 0.02 0.00 0.00 177.57 178.42 3kcu h PHE 51 N 0.74 1.00 -0.69 1.57 3.04 -0.99 -0.21 116.94 121.41 3kcu h PHE 51 Ca 0.23 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.14 3kcu h PHE 51 Cb -0.02 -0.32 -0.03 0.00 2.56 0.00 0.00 35.95 38.14 3kcu h PHE 51 CO -0.05 0.69 0.34 -0.92 -2.02 0.00 0.00 178.31 176.36 3kcu h TYR 52 N 1.01 0.98 -0.14 0.41 3.20 -1.00 0.22 116.97 121.66 3kcu h TYR 52 Ca 0.26 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 62.05 3kcu h TYR 52 Cb 0.01 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 37.97 3kcu h TYR 52 CO -0.00 0.72 -0.05 0.82 -1.64 0.00 0.00 178.16 178.01 3kcu h ILE 53 N 0.95 1.30 -0.05 1.81 1.08 -0.64 -1.63 117.51 120.33 3kcu h ILE 53 Ca 0.24 -1.05 0.03 0.00 -0.39 0.00 0.00 64.86 63.69 3kcu h ILE 53 Cb 0.10 1.70 -0.04 0.00 -3.07 0.00 0.00 36.82 35.51 3kcu h ILE 53 CO -0.03 0.31 -0.21 0.74 -0.69 0.00 0.00 178.15 178.27 3kcu h THR 54 N -0.04 0.50 -0.15 -0.27 2.02 -0.90 -1.47 112.91 112.61 3kcu h THR 54 Ca 0.03 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 3kcu h THR 54 Cb 0.50 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 3kcu h THR 54 CO 0.02 0.00 0.01 0.00 0.37 0.00 0.00 175.52 175.92 3kcu h ALA 55 N 0.63 1.75 -0.30 6.16 0.00 -0.87 -2.70 119.26 123.94 3kcu h ALA 55 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kcu h ALA 55 Cb 0.41 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kcu h ALA 55 CO -0.23 0.19 0.00 0.25 0.00 0.00 0.00 179.25 179.47 3kcu n THR 56 N -4.43 0.37 -2.35 0.00 -2.24 -0.62 -4.87 114.28 100.14 3kcu n THR 56 Ca -0.01 -0.66 -0.42 0.00 -2.27 0.00 0.00 64.05 60.69 3kcu n THR 56 Cb 0.15 1.02 -0.03 0.00 -2.10 0.00 0.00 70.33 69.37 3kcu n THR 56 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3kcu s THR 57 N -1.63 3.92 -0.13 4.28 2.01 -0.58 -2.54 115.64 120.97 3kcu s THR 57 Ca 0.36 1.34 0.00 0.00 0.31 0.00 0.00 61.69 63.70 3kcu s THR 57 Cb 0.22 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.87 3kcu s THR 57 CO 0.31 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.91 3kcu n GLY 58 N 3.38 0.51 1.51 4.40 0.00 -1.26 -4.93 105.19 108.79 3kcu n GLY 58 Ca 0.11 -0.48 0.04 0.00 0.00 0.00 0.00 46.02 45.69 3kcu n GLY 58 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kcu n THR 59 N -2.90 2.00 -0.17 2.61 -2.24 -1.05 -4.37 114.28 108.16 3kcu n THR 59 Ca -0.01 -1.01 0.10 0.00 -2.27 0.00 0.00 64.05 60.86 3kcu n THR 59 Cb 0.07 -0.35 0.42 0.00 -2.10 0.00 0.00 70.33 68.37 3kcu n THR 59 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3kcu h GLY 60 N 4.23 0.85 2.00 3.38 0.00 -1.92 -2.30 103.07 109.31 3kcu h GLY 60 Ca 0.01 -0.24 -0.15 0.00 0.00 0.00 0.00 47.33 46.95 3kcu h GLY 60 CO 0.37 0.14 -0.72 -0.91 0.00 0.00 0.00 176.54 175.42 3kcu h THR 61 N 0.59 1.45 -4.14 4.70 1.35 -2.01 -3.46 112.91 111.39 3kcu h THR 61 Ca 0.33 -2.52 -0.53 0.00 -0.55 0.00 0.00 66.41 63.15 3kcu h THR 61 Cb 0.51 2.38 0.12 0.00 -1.73 0.00 0.00 68.15 69.44 3kcu h THR 61 CO -0.12 0.71 0.43 -0.04 -0.25 0.00 0.00 175.52 176.25 3kcu s MET 62 N -3.27 2.69 0.18 4.72 1.00 -0.87 -4.93 119.30 118.81 3kcu s MET 62 Ca -0.00 1.73 -0.33 0.00 0.00 0.00 0.00 55.69 57.09 3kcu s MET 62 Cb 0.11 -1.90 -0.14 0.00 0.00 0.00 0.00 34.83 32.90 3kcu s MET 62 CO 0.77 -1.41 1.44 -2.30 0.00 0.00 0.00 175.02 173.53 3kcu n PRO 63 N -2.08 1.86 -0.14 2.03 -0.02 -1.26 -4.86 135.00 130.53 3kcu n PRO 63 Ca 0.13 0.67 -0.06 0.00 -2.02 0.00 0.00 63.50 62.21 3kcu n PRO 63 Cb 0.50 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3kcu n PRO 63 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3kcu h PHE 64 N 4.90 -0.80 -0.08 6.00 3.57 -1.91 -1.77 116.94 126.86 3kcu h PHE 64 Ca -0.45 0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.03 3kcu h PHE 64 Cb 1.28 0.42 -0.01 0.00 2.79 0.00 0.00 35.95 40.43 3kcu h PHE 64 CO 0.59 -0.36 -0.29 0.78 -2.23 0.00 0.00 178.31 176.81 3kcu h GLY 65 N -0.20 0.16 0.86 2.40 0.00 -1.96 -1.52 103.07 102.81 3kcu h GLY 65 Ca 0.20 -0.12 -0.09 0.00 0.00 0.00 0.00 47.33 47.32 3kcu h GLY 65 CO -0.57 0.11 -0.20 1.98 0.00 0.00 0.00 176.54 177.86 3kcu h MET 66 N 0.13 0.53 -0.50 4.80 4.05 -1.72 0.89 114.93 123.10 3kcu h MET 66 Ca 0.02 -0.27 -0.00 0.00 -0.28 0.00 0.00 59.70 59.17 3kcu h MET 66 Cb 0.58 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.36 3kcu h MET 66 CO 0.04 0.85 0.31 0.00 0.23 0.00 0.00 176.91 178.35 3kcu h ALA 67 N 0.66 0.64 -0.50 0.39 0.00 -1.25 -1.81 119.26 117.39 3kcu h ALA 67 Ca 0.04 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 3kcu h ALA 67 Cb 0.75 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3kcu h ALA 67 CO 0.05 0.12 -0.15 0.87 0.00 0.00 0.00 179.25 180.13 3kcu h LYS 68 N 0.68 0.99 0.00 0.00 6.56 -1.17 -1.61 116.57 122.02 3kcu h LYS 68 Ca 0.18 -0.40 -0.00 0.00 -1.06 0.00 0.00 60.65 59.38 3kcu h LYS 68 Cb -0.03 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 31.58 3kcu h LYS 68 CO -0.04 1.07 -0.00 1.25 -2.06 0.00 0.00 179.45 179.68 3kcu h LEU 69 N 0.86 -0.00 -0.67 2.94 5.85 -0.70 -0.22 115.31 123.37 3kcu h LEU 69 Ca 0.12 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.83 3kcu h LEU 69 Cb 0.72 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 3kcu h LEU 69 CO 0.06 0.02 0.44 0.58 -0.34 0.00 0.00 178.44 179.20 3kcu h VAL 70 N -0.02 1.15 -0.91 1.05 2.07 -1.19 -0.63 116.25 117.78 3kcu h VAL 70 Ca -0.00 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 67.26 3kcu h VAL 70 Cb 0.02 0.19 -0.06 0.00 -1.52 0.00 0.00 31.29 29.92 3kcu h VAL 70 CO 0.00 0.16 0.58 1.23 0.02 0.00 0.00 177.57 179.57 3kcu h GLY 71 N 0.89 1.33 0.95 2.17 0.00 -1.12 -1.74 103.07 105.55 3kcu h GLY 71 Ca 0.25 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 3kcu h GLY 71 CO -0.06 0.36 0.16 -1.33 0.00 0.00 0.00 176.54 175.67 3kcu h GLY 72 N 1.12 0.71 0.68 4.60 0.00 -0.24 0.13 103.07 110.06 3kcu h GLY 72 Ca 0.37 -0.39 0.05 0.00 0.00 0.00 0.00 47.33 47.35 3kcu h GLY 72 CO -0.13 0.37 0.21 -2.22 0.00 0.00 0.00 176.54 174.77 3kcu h ILE 73 N 0.56 0.92 -0.78 2.60 2.04 -0.95 -2.30 117.51 119.60 3kcu h ILE 73 Ca 0.14 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3kcu h ILE 73 Cb 0.21 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 3kcu h ILE 73 CO -0.01 0.08 0.44 0.00 0.00 0.00 0.00 178.15 178.66 3kcu h PHE 75 N 1.07 0.24 -0.02 0.00 3.57 -0.20 -2.61 116.94 118.99 3kcu h PHE 75 Ca 0.28 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.79 3kcu h PHE 75 Cb 0.01 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 3kcu h PHE 75 CO -0.00 0.11 0.03 0.66 -2.23 0.00 0.00 178.31 176.88 3kcu h SER 76 N 0.22 0.00 -0.98 0.41 4.64 -1.11 -1.12 113.55 115.62 3kcu h SER 76 Ca 0.25 0.00 0.33 0.00 -0.47 0.00 0.00 61.79 61.90 3kcu h SER 76 Cb 0.71 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 62.63 3kcu h SER 76 CO -0.05 0.00 0.35 0.25 -0.87 0.00 0.00 176.83 176.51 3kcu h LEU 77 N 0.00 0.07 -0.10 5.97 6.46 -1.63 -0.62 115.31 125.45 3kcu h LEU 77 Ca 0.01 0.24 0.02 0.00 -0.12 0.00 0.00 57.88 58.03 3kcu h LEU 77 Cb 0.08 0.31 -0.02 0.00 -0.73 0.00 0.00 40.66 40.30 3kcu h LEU 77 CO -0.00 -0.32 -0.02 1.23 -0.62 0.00 0.00 178.44 178.71 3kcu h GLY 78 N 0.09 0.08 1.49 3.75 0.00 -1.40 0.53 103.07 107.60 3kcu h GLY 78 Ca 0.71 0.03 -0.10 0.00 0.00 0.00 0.00 47.33 47.97 3kcu h GLY 78 CO -0.77 -0.04 -0.23 1.41 0.00 0.00 0.00 176.54 176.92 3kcu h LEU 79 N 0.00 0.60 -0.01 3.11 3.38 -1.43 -2.04 115.31 118.92 3kcu h LEU 79 Ca 0.05 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.82 3kcu h LEU 79 Cb 0.07 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3kcu h LEU 79 CO -0.10 0.82 -0.03 0.40 0.09 0.00 0.00 178.44 179.62 3kcu h ILE 80 N 0.52 0.93 -0.47 1.22 2.04 -0.78 -1.35 117.51 119.62 3kcu h ILE 80 Ca 0.08 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.03 3kcu h ILE 80 Cb 0.68 0.93 -0.09 0.00 -0.74 0.00 0.00 36.82 37.60 3kcu h ILE 80 CO 0.05 0.00 -0.07 -0.07 0.00 0.00 0.00 178.15 178.06 3kcu h LEU 81 N -0.04 -0.35 -0.64 1.44 4.07 -0.77 -0.58 115.31 118.43 3kcu h LEU 81 Ca 0.01 0.13 -0.00 0.00 0.08 0.00 0.00 57.88 58.10 3kcu h LEU 81 Cb 0.06 0.26 -0.03 0.00 1.08 0.00 0.00 40.66 42.03 3kcu h LEU 81 CO -0.03 -0.13 0.39 0.00 -1.08 0.00 0.00 178.44 177.59 3kcu h VAL 83 N 0.87 1.58 -0.43 0.00 2.07 -1.03 -0.53 116.25 118.78 3kcu h VAL 83 Ca 0.23 -2.02 -0.09 0.00 0.82 0.00 0.00 66.70 65.64 3kcu h VAL 83 Cb -0.03 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 3kcu h VAL 83 CO -0.04 0.55 -0.07 0.58 0.02 0.00 0.00 177.57 178.61 3kcu h VAL 84 N -0.57 1.27 -0.00 2.57 2.07 -1.14 -3.05 116.25 117.40 3kcu h VAL 84 Ca -0.03 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.34 3kcu h VAL 84 Cb 1.03 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 3kcu h VAL 84 CO 0.05 0.39 -0.27 0.00 0.02 0.00 0.00 177.57 177.76 3kcu n GLY 86 N 1.49 0.45 3.92 0.00 0.00 -0.79 -5.05 105.19 105.22 3kcu n GLY 86 Ca 0.07 -0.75 -0.26 0.00 0.00 0.00 0.00 46.02 45.07 3kcu n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcu s ALA 87 N -2.36 3.16 -0.39 4.61 0.00 -0.27 -5.00 121.76 121.51 3kcu s ALA 87 Ca 0.01 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.14 3kcu s ALA 87 Cb -0.01 -2.64 0.11 0.00 0.00 0.00 0.00 23.12 20.59 3kcu s ALA 87 CO 0.02 -1.20 0.14 0.34 0.00 0.00 0.00 175.76 175.06 3kcu s ASP 88 N -4.47 5.01 -0.26 0.00 -1.08 -1.01 -4.78 116.67 110.09 3kcu s ASP 88 Ca 0.59 -2.14 -0.16 0.00 -0.52 0.00 0.00 52.55 50.32 3kcu s ASP 88 Cb -0.11 -1.73 -0.03 0.00 -1.46 0.00 0.00 42.92 39.58 3kcu s ASP 88 CO 0.45 -0.46 0.42 -0.22 0.52 0.00 0.00 175.17 175.88 3kcu s LEU 89 N 0.96 4.05 -0.29 -1.34 2.96 -1.26 -4.16 118.68 119.60 3kcu s LEU 89 Ca 0.10 0.38 -0.22 0.00 -0.22 0.00 0.00 54.13 54.17 3kcu s LEU 89 Cb -0.21 -2.50 -0.10 0.00 0.50 0.00 0.00 46.19 43.88 3kcu s LEU 89 CO -0.06 -0.21 1.13 0.33 -1.32 0.00 0.00 176.35 176.22 3kcu n PHE 90 N 5.33 0.55 -0.38 5.38 7.35 -1.26 -0.37 117.46 134.06 3kcu n PHE 90 Ca -0.07 0.37 0.00 0.00 -0.76 0.00 0.00 57.45 56.99 3kcu n PHE 90 Cb 0.50 -1.18 0.00 0.00 0.35 0.00 0.00 39.48 39.16 3kcu n PHE 90 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 3kcu n THR 91 N 3.38 0.00 0.25 -2.13 -2.24 -1.26 -4.88 114.28 107.40 3kcu n THR 91 Ca 0.29 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.15 3kcu n THR 91 Cb -0.02 -0.14 0.63 0.00 -2.10 0.00 0.00 70.33 68.71 3kcu n THR 91 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3kcu h SER 92 N 0.00 0.00 -0.47 3.42 4.64 -1.10 -2.09 113.55 117.94 3kcu h SER 92 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kcu h SER 92 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3kcu h SER 92 CO 0.00 0.05 0.00 0.35 -0.87 0.00 0.00 176.83 176.36 3kcu n THR 93 N -4.41 2.37 0.09 2.95 -2.24 -1.26 -4.48 114.28 107.31 3kcu n THR 93 Ca -0.03 -1.52 0.05 0.00 -2.27 0.00 0.00 64.05 60.28 3kcu n THR 93 Cb 0.13 -0.17 0.48 0.00 -2.10 0.00 0.00 70.33 68.67 3kcu n THR 93 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3kcu h VAL 94 N 3.18 1.09 -0.03 2.28 3.04 -1.76 -1.87 116.25 122.18 3kcu h VAL 94 Ca 0.00 -0.24 -0.20 0.00 -1.01 0.00 0.00 66.70 65.25 3kcu h VAL 94 Cb 1.66 0.76 -0.00 0.00 -2.01 0.00 0.00 31.29 31.69 3kcu h VAL 94 CO 0.34 0.10 -0.83 -0.07 -1.01 0.00 0.00 177.57 176.10 3kcu h LEU 95 N 0.35 0.42 -0.28 3.16 3.38 -1.84 -2.01 115.31 118.48 3kcu h LEU 95 Ca 0.09 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3kcu h LEU 95 Cb 0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3kcu h LEU 95 CO -0.01 1.08 0.18 0.40 0.09 0.00 0.00 178.44 180.18 3kcu h ILE 96 N 0.21 1.07 -0.21 1.22 1.08 -1.72 -1.12 117.51 118.04 3kcu h ILE 96 Ca -0.05 -0.13 0.04 0.00 -0.39 0.00 0.00 64.86 64.33 3kcu h ILE 96 Cb 1.43 0.66 -0.04 0.00 -3.07 0.00 0.00 36.82 35.80 3kcu h ILE 96 CO 0.14 0.07 -0.03 0.58 -0.69 0.00 0.00 178.15 178.22 3kcu h VAL 97 N 0.38 0.82 -0.32 1.67 2.07 -1.22 0.15 116.25 119.79 3kcu h VAL 97 Ca 0.10 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.63 3kcu h VAL 97 Cb -0.04 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3kcu h VAL 97 CO -0.03 0.01 0.18 0.58 0.02 0.00 0.00 177.57 178.33 3kcu h VAL 98 N 0.03 1.01 -0.33 2.57 2.07 -1.21 -2.58 116.25 117.81 3kcu h VAL 98 Ca 0.10 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 3kcu h VAL 98 Cb 0.14 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3kcu h VAL 98 CO -0.20 0.07 0.11 0.00 0.02 0.00 0.00 177.57 177.57 3kcu h ALA 99 N 1.15 0.44 -0.12 1.67 0.00 -0.73 0.11 119.26 121.78 3kcu h ALA 99 Ca 0.13 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3kcu h ALA 99 Cb 0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3kcu h ALA 99 CO -0.07 0.07 0.09 0.87 0.00 0.00 0.00 179.25 180.21 3kcu h LYS 100 N 0.39 0.00 -0.15 0.00 1.57 -0.58 0.24 116.57 118.03 3kcu h LYS 100 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3kcu h LYS 100 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3kcu h LYS 100 CO -0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 3kcu n ALA 101 N -2.54 2.52 -3.90 3.86 0.00 -0.95 -4.93 120.51 114.58 3kcu n ALA 101 Ca -0.00 -0.55 -0.30 0.00 0.00 0.00 0.00 53.44 52.59 3kcu n ALA 101 Cb 0.21 -1.08 0.02 0.00 0.00 0.00 0.00 19.45 18.60 3kcu n ALA 101 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3kcu n SER 102 N 0.40 -4.73 0.00 0.00 7.64 0.07 -0.67 113.62 116.33 3kcu n SER 102 Ca 0.17 -0.77 0.00 0.00 1.01 0.00 0.00 58.87 59.28 3kcu n SER 102 Cb 0.36 -3.78 0.00 0.00 -1.01 0.00 0.00 64.21 59.78 3kcu n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kcu n GLY 103 N -1.65 0.15 2.64 0.23 0.00 -0.03 -4.88 105.19 101.65 3kcu n GLY 103 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3kcu n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kcu n ARG 104 N -0.28 4.01 -3.61 1.61 1.74 0.15 -4.87 116.66 115.41 3kcu n ARG 104 Ca 0.00 -3.32 -0.15 0.00 -0.77 0.00 0.00 57.85 53.61 3kcu n ARG 104 Cb 0.33 -2.81 -0.07 0.00 -1.02 0.00 0.00 32.46 28.89 3kcu n ARG 104 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3kcu s ILE 105 N 0.05 0.00 0.33 0.55 2.07 -1.26 -4.97 121.20 117.97 3kcu s ILE 105 Ca 0.49 -0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.78 3kcu s ILE 105 Cb 0.15 -0.99 -0.01 0.00 0.13 0.00 0.00 42.46 41.73 3kcu s ILE 105 CO -0.05 -0.00 0.48 0.42 -1.91 0.00 0.00 174.94 173.88 3kcu s THR 106 N -0.00 4.38 0.21 4.00 -4.23 -1.26 -4.99 115.64 113.75 3kcu s THR 106 Ca -0.03 -0.88 -0.10 0.00 -1.18 0.00 0.00 61.69 59.51 3kcu s THR 106 Cb -0.04 -3.55 0.15 0.00 1.34 0.00 0.00 72.50 70.41 3kcu s THR 106 CO 0.03 -0.25 1.84 -0.50 -0.54 0.00 0.00 174.62 175.20 3kcu h TRP 107 N 0.86 1.02 -0.70 3.99 6.55 -2.01 -1.50 115.95 124.15 3kcu h TRP 107 Ca -0.47 -0.01 0.13 0.00 0.95 0.00 0.00 58.89 59.49 3kcu h TRP 107 Cb 1.25 -0.33 -0.09 0.00 -0.86 0.00 0.00 29.16 29.12 3kcu h TRP 107 CO 0.44 0.70 0.24 0.78 -1.05 0.00 0.00 178.44 179.55 3kcu h GLY 108 N 1.05 1.01 0.89 1.49 0.00 -1.96 0.15 103.07 105.71 3kcu h GLY 108 Ca 0.27 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 3kcu h GLY 108 CO -0.05 -0.11 0.09 1.46 0.00 0.00 0.00 176.54 177.93 3kcu h GLN 109 N 0.38 0.41 -0.93 4.80 4.20 -1.84 -1.79 115.11 120.34 3kcu h GLN 109 Ca 0.38 -0.09 0.07 0.00 0.06 0.00 0.00 58.65 59.08 3kcu h GLN 109 Cb 0.57 -0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.23 3kcu h GLN 109 CO -0.41 0.47 0.58 -0.07 -0.67 0.00 0.00 178.83 178.74 3kcu h LEU 110 N 0.26 0.91 -1.58 1.46 3.38 -0.27 -2.84 115.31 116.63 3kcu h LEU 110 Ca 0.09 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3kcu h LEU 110 Cb 0.23 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3kcu h LEU 110 CO -0.00 0.57 0.00 0.00 0.09 0.00 0.00 178.44 179.09 3kcu n ALA 111 N -2.36 2.48 -0.35 1.53 0.00 0.44 -4.52 120.51 117.74 3kcu n ALA 111 Ca 0.14 -0.70 0.14 0.00 0.00 0.00 0.00 53.44 53.02 3kcu n ALA 111 Cb 0.21 -1.00 0.35 0.00 0.00 0.00 0.00 19.45 19.00 3kcu n ALA 111 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3kcu h LYS 112 N 3.14 0.69 -0.32 0.00 3.64 -1.07 -1.83 116.57 120.82 3kcu h LYS 112 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3kcu h LYS 112 Cb 0.69 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3kcu h LYS 112 CO 0.00 0.46 0.00 0.09 -2.27 0.00 0.00 179.45 177.73 3kcu n ASN 113 N -4.76 2.89 -0.09 4.20 5.03 -1.26 -4.71 115.26 116.55 3kcu n ASN 113 Ca 0.24 -1.88 -0.09 0.00 0.87 0.00 0.00 54.58 53.72 3kcu n ASN 113 Cb 0.61 -0.21 -0.02 0.00 -1.02 0.00 0.00 39.78 39.15 3kcu n ASN 113 CO 0.00 0.00 0.00 -0.50 -1.83 0.00 0.00 177.26 174.93 3kcu h TRP 114 N 2.63 0.41 0.04 3.10 4.06 -1.62 -0.44 115.95 124.13 3kcu h TRP 114 Ca 0.00 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.96 3kcu h TRP 114 Cb 0.74 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.75 3kcu h TRP 114 CO 0.21 0.29 -0.07 1.25 -3.56 0.00 0.00 178.44 176.56 3kcu h LEU 115 N 0.41 -0.19 -0.36 -4.49 5.85 -1.84 0.79 115.31 115.47 3kcu h LEU 115 Ca 0.11 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.91 3kcu h LEU 115 Cb -0.01 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 3kcu h LEU 115 CO -0.02 -0.11 0.08 -1.13 -0.34 0.00 0.00 178.44 176.92 3kcu h ASN 116 N -0.14 0.04 -0.41 1.25 -1.24 -1.86 -1.91 115.58 111.32 3kcu h ASN 116 Ca 0.01 0.05 -0.07 0.00 0.71 0.00 0.00 56.30 57.01 3kcu h ASN 116 Cb 0.15 0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.26 3kcu h ASN 116 CO -0.04 0.06 0.00 0.58 -1.29 0.00 0.00 177.43 176.74 3kcu h VAL 117 N 0.21 1.26 -0.67 2.57 2.07 -0.86 -1.33 116.25 119.51 3kcu h VAL 117 Ca 0.17 -1.01 0.03 0.00 0.82 0.00 0.00 66.70 66.71 3kcu h VAL 117 Cb 0.18 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 3kcu h VAL 117 CO -0.21 0.34 0.41 0.22 0.02 0.00 0.00 177.57 178.36 3kcu h TYR 118 N 0.55 0.77 0.03 1.57 3.20 -0.70 0.43 116.97 122.82 3kcu h TYR 118 Ca 0.12 0.02 -0.22 0.00 3.14 0.00 0.00 58.73 61.79 3kcu h TYR 118 Cb 0.48 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 3kcu h TYR 118 CO 0.04 0.44 -1.03 0.74 -1.64 0.00 0.00 178.16 176.70 3kcu h PHE 119 N 0.80 0.13 -0.23 -3.82 0.04 -1.30 -1.42 116.94 111.15 3kcu h PHE 119 Ca 0.27 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.94 3kcu h PHE 119 Cb 0.03 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 3kcu h PHE 119 CO -0.05 1.04 0.12 0.78 -0.60 0.00 0.00 178.31 179.60 3kcu h GLY 120 N 2.56 0.35 0.04 -1.45 0.00 -0.95 -0.66 103.07 102.95 3kcu h GLY 120 Ca -0.04 -0.16 0.11 0.00 0.00 0.00 0.00 47.33 47.23 3kcu h GLY 120 CO 0.14 0.16 -0.05 3.43 0.00 0.00 0.00 176.54 180.22 3kcu h ASN 121 N 0.25 -0.32 -0.39 0.19 -0.26 0.03 -0.98 115.58 114.10 3kcu h ASN 121 Ca 0.08 0.14 0.02 0.00 -0.56 0.00 0.00 56.30 55.98 3kcu h ASN 121 Cb 0.09 0.26 -0.03 0.00 -1.06 0.00 0.00 38.32 37.59 3kcu h ASN 121 CO -0.01 -0.12 0.22 0.25 -1.06 0.00 0.00 177.43 176.71 3kcu h LEU 122 N 0.07 0.36 -0.51 1.61 5.85 -1.02 -0.46 115.31 121.21 3kcu h LEU 122 Ca 0.27 0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.03 3kcu h LEU 122 Cb 0.42 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 3kcu h LEU 122 CO -0.48 0.26 0.29 0.58 -0.34 0.00 0.00 178.44 178.74 3kcu h VAL 123 N 0.46 1.01 -0.60 1.05 2.07 -0.55 0.51 116.25 120.20 3kcu h VAL 123 Ca 0.16 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 3kcu h VAL 123 Cb 0.02 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 3kcu h VAL 123 CO -0.08 0.10 0.30 1.23 0.02 0.00 0.00 177.57 179.14 3kcu h GLY 124 N 0.57 0.92 0.96 2.17 0.00 -0.92 -0.43 103.07 106.34 3kcu h GLY 124 Ca 0.22 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 3kcu h GLY 124 CO -0.12 0.43 0.20 0.00 0.00 0.00 0.00 176.54 177.05 3kcu h ALA 125 N 1.13 0.49 -0.64 3.60 0.00 -0.62 -1.79 119.26 121.43 3kcu h ALA 125 Ca 0.21 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3kcu h ALA 125 Cb 0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3kcu h ALA 125 CO -0.03 0.03 0.18 -0.07 0.00 0.00 0.00 179.25 179.36 3kcu h LEU 126 N 0.48 0.95 -0.93 0.00 3.38 -0.71 0.74 115.31 119.21 3kcu h LEU 126 Ca 0.13 -0.22 0.11 0.00 0.09 0.00 0.00 57.88 58.00 3kcu h LEU 126 Cb 0.09 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.51 3kcu h LEU 126 CO -0.02 0.92 0.56 -0.07 0.09 0.00 0.00 178.44 179.92 3kcu h LEU 127 N 0.93 0.81 -0.48 1.67 3.38 -1.01 -1.49 115.31 119.12 3kcu h LEU 127 Ca 0.20 0.05 -0.17 0.00 0.09 0.00 0.00 57.88 58.05 3kcu h LEU 127 Cb 0.32 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3kcu h LEU 127 CO -0.00 0.44 -0.69 0.15 0.09 0.00 0.00 178.44 178.43 3kcu h PHE 128 N 0.90 0.46 -0.38 1.13 3.57 -0.39 -1.88 116.94 120.35 3kcu h PHE 128 Ca 0.46 -0.20 0.05 0.00 3.53 0.00 0.00 57.97 61.81 3kcu h PHE 128 Cb 0.46 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.08 3kcu h PHE 128 CO -0.03 0.93 0.13 0.28 -2.23 0.00 0.00 178.31 177.39 3kcu h VAL 129 N 0.24 0.88 0.05 1.41 2.07 -0.07 -0.25 116.25 120.59 3kcu h VAL 129 Ca -0.02 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3kcu h VAL 129 Cb 1.24 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 3kcu h VAL 129 CO 0.11 0.05 -0.06 0.25 0.02 0.00 0.00 177.57 177.95 3kcu h LEU 130 N 0.29 -0.15 -0.55 2.57 5.85 -1.11 0.90 115.31 123.11 3kcu h LEU 130 Ca 0.17 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.95 3kcu h LEU 130 Cb 0.16 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 3kcu h LEU 130 CO -0.18 -0.09 0.31 0.25 -0.34 0.00 0.00 178.44 178.38 3kcu h LEU 131 N -0.13 0.47 -0.55 2.25 5.85 -1.13 0.37 115.31 122.45 3kcu h LEU 131 Ca 0.01 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 3kcu h LEU 131 Cb 0.13 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3kcu h LEU 131 CO -0.03 0.32 0.13 0.24 -0.34 0.00 0.00 178.44 178.77 3kcu h MET 132 N 0.60 0.88 -0.18 1.25 2.86 -0.80 -0.21 114.93 119.33 3kcu h MET 132 Ca 0.23 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3kcu h MET 132 Cb 0.09 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 3kcu h MET 132 CO -0.13 0.82 0.12 2.35 1.06 0.00 0.00 176.91 181.13 3kcu h TRP 133 N 0.77 0.23 0.00 -0.22 2.91 -0.48 -2.60 115.95 116.57 3kcu h TRP 133 Ca 0.17 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.18 3kcu h TRP 133 Cb 0.34 -0.08 -0.00 0.00 -0.51 0.00 0.00 29.16 28.91 3kcu h TRP 133 CO 0.02 0.16 -0.08 -0.07 -1.03 0.00 0.00 178.44 177.44 3kcu h LEU 134 N 0.23 0.00 -1.67 0.65 3.38 -0.64 -2.11 115.31 115.15 3kcu h LEU 134 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3kcu h LEU 134 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3kcu h LEU 134 CO -0.01 0.08 0.00 0.77 0.09 0.00 0.00 178.44 179.37 3kcu h SER 135 N 0.00 0.00 -0.14 -0.43 4.64 -0.63 -3.47 113.55 113.52 3kcu h SER 135 Ca -0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3kcu h SER 135 Cb 0.27 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 3kcu h SER 135 CO 0.01 0.00 -0.06 0.61 -0.87 0.00 0.00 176.83 176.52 3kcu n GLY 136 N -0.20 0.59 0.28 -0.77 0.00 -0.79 -4.95 105.19 99.35 3kcu n GLY 136 Ca 0.00 -0.33 0.09 0.00 0.00 0.00 0.00 46.02 45.79 3kcu n GLY 136 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3kcu h GLU 137 N 0.38 0.01 -0.22 1.61 4.57 -1.81 -2.84 114.58 116.28 3kcu h GLU 137 Ca -0.06 -0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.18 3kcu h GLU 137 Cb 0.38 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 3kcu h GLU 137 CO 0.09 0.00 0.29 0.10 -1.18 0.00 0.00 179.01 178.32 3kcu h TYR 138 N 0.01 0.00 -0.00 0.92 -0.00 -1.91 0.20 116.97 116.18 3kcu h TYR 138 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.76 3kcu h TYR 138 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.85 3kcu h TYR 138 CO -0.00 0.00 -0.13 -1.33 -0.00 0.00 0.00 178.16 176.70 3kcu n MET 139 N -3.60 0.44 -1.61 0.10 2.81 -1.07 -1.20 117.12 112.99 3kcu n MET 139 Ca 0.03 -0.13 -0.44 0.00 -1.81 0.00 0.00 57.70 55.35 3kcu n MET 139 Cb 0.42 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.42 3kcu n MET 139 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3kcu n THR 140 N -1.17 2.03 -3.75 2.03 -1.04 0.69 -1.23 114.28 111.83 3kcu n THR 140 Ca 0.12 -0.50 -0.22 0.00 -2.04 0.00 0.00 64.05 61.41 3kcu n THR 140 Cb 0.29 -1.14 0.02 0.00 -1.82 0.00 0.00 70.33 67.69 3kcu n THR 140 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kcu n ALA 141 N 0.19 -2.00 -3.71 2.41 0.00 -1.26 -1.99 120.51 114.15 3kcu n ALA 141 Ca 0.08 -0.18 -0.26 0.00 0.00 0.00 0.00 53.44 53.08 3kcu n ALA 141 Cb 0.33 -1.88 0.06 0.00 0.00 0.00 0.00 19.45 17.96 3kcu n ALA 141 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3kcu n ASN 142 N -3.04 -5.46 0.00 0.00 4.05 -0.90 -1.80 115.26 108.11 3kcu n ASN 142 Ca -0.30 -0.64 0.00 0.00 0.45 0.00 0.00 54.58 54.09 3kcu n ASN 142 Cb 0.68 -4.59 0.00 0.00 1.23 0.00 0.00 39.78 37.10 3kcu n ASN 142 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3kcu n GLY 143 N -1.85 1.88 0.27 8.20 0.00 -0.37 -4.38 105.19 108.95 3kcu n GLY 143 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 3kcu n GLY 143 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kcu h GLN 144 N 2.77 0.44 0.28 1.61 1.08 -1.04 0.63 115.11 120.88 3kcu h GLN 144 Ca 0.00 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 3kcu h GLN 144 Cb 0.00 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 3kcu h GLN 144 CO 0.00 0.46 -0.30 2.35 -0.95 0.00 0.00 178.83 180.39 3kcu h TRP 145 N 0.43 -0.81 -0.82 2.96 7.01 -1.59 0.13 115.95 123.26 3kcu h TRP 145 Ca 0.10 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.15 3kcu h TRP 145 Cb 0.26 0.32 -0.05 0.00 -2.10 0.00 0.00 29.16 27.58 3kcu h TRP 145 CO 0.01 -0.43 0.52 0.78 -2.79 0.00 0.00 178.44 176.53 3kcu h GLY 146 N -0.62 1.22 1.00 2.65 0.00 -0.59 -1.93 103.07 104.81 3kcu h GLY 146 Ca -0.01 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 3kcu h GLY 146 CO -0.08 0.29 0.32 -2.00 0.00 0.00 0.00 176.54 175.08 3kcu h LEU 147 N 0.97 0.87 -0.50 3.11 5.85 -0.64 -1.32 115.31 123.65 3kcu h LEU 147 Ca 0.35 -0.13 0.07 0.00 0.84 0.00 0.00 57.88 59.00 3kcu h LEU 147 Cb 0.09 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.84 3kcu h LEU 147 CO -0.14 0.76 0.19 -1.13 -0.34 0.00 0.00 178.44 177.77 3kcu h ASN 148 N 0.92 0.20 -0.42 1.25 -1.24 -0.33 -0.10 115.58 115.86 3kcu h ASN 148 Ca 0.23 0.06 0.04 0.00 0.71 0.00 0.00 56.30 57.33 3kcu h ASN 148 Cb 0.12 0.04 -0.04 0.00 0.73 0.00 0.00 38.32 39.17 3kcu h ASN 148 CO -0.03 0.14 0.20 0.58 -1.29 0.00 0.00 177.43 177.03 3kcu h VAL 149 N 0.37 0.95 -0.22 2.57 2.07 -0.79 -0.22 116.25 120.99 3kcu h VAL 149 Ca 0.24 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.63 3kcu h VAL 149 Cb 0.25 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3kcu h VAL 149 CO -0.24 0.07 0.11 -0.07 0.02 0.00 0.00 177.57 177.47 3kcu h LEU 150 N 0.40 0.18 -0.58 2.57 3.38 -0.60 0.83 115.31 121.49 3kcu h LEU 150 Ca 0.18 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 3kcu h LEU 150 Cb 0.11 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3kcu h LEU 150 CO -0.14 0.14 -0.03 1.56 0.09 0.00 0.00 178.44 180.05 3kcu h GLN 151 N 0.24 1.05 -0.21 1.13 4.20 -0.89 -0.54 115.11 120.09 3kcu h GLN 151 Ca 0.09 -0.35 -0.02 0.00 0.06 0.00 0.00 58.65 58.43 3kcu h GLN 151 Cb 0.01 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 3kcu h GLN 151 CO -0.05 1.05 0.06 1.15 -0.67 0.00 0.00 178.83 180.37 3kcu h THR 152 N 0.94 1.20 -0.58 -0.54 2.02 -0.85 -1.57 112.91 113.53 3kcu h THR 152 Ca 0.16 -0.62 -0.04 0.00 0.77 0.00 0.00 66.41 66.68 3kcu h THR 152 Cb 0.59 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 3kcu h THR 152 CO 0.04 0.20 0.21 0.00 0.37 0.00 0.00 175.52 176.34 3kcu h ALA 153 N 0.88 0.75 -0.50 6.16 0.00 -0.77 -2.92 119.26 122.88 3kcu h ALA 153 Ca 0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3kcu h ALA 153 Cb 0.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3kcu h ALA 153 CO -0.00 0.38 0.18 0.22 0.00 0.00 0.00 179.25 180.03 3kcu h ASP 154 N 0.80 0.70 -0.90 0.00 3.58 -1.03 -2.14 116.42 117.44 3kcu h ASP 154 Ca 0.19 -0.19 0.12 0.00 0.42 0.00 0.00 57.03 57.57 3kcu h ASP 154 Cb 0.23 -0.18 -0.07 0.00 1.72 0.00 0.00 39.33 41.03 3kcu h ASP 154 CO -0.01 0.70 0.58 -0.74 -2.88 0.00 0.00 179.24 176.88 3kcu h HIS 155 N 0.66 0.91 0.00 0.28 2.76 -1.18 -2.17 115.15 116.41 3kcu h HIS 155 Ca 0.16 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 3kcu h HIS 155 Cb 0.23 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 28.90 3kcu h HIS 155 CO 0.01 0.38 0.00 1.63 -1.30 0.00 0.00 177.93 178.65 3kcu n LYS 156 N -4.55 0.03 -0.28 5.26 5.02 -0.81 -2.64 118.16 120.19 3kcu n LYS 156 Ca 0.16 0.19 0.08 0.00 -2.02 0.00 0.00 58.31 56.72 3kcu n LYS 156 Cb 0.37 -1.55 0.22 0.00 -0.02 0.00 0.00 35.03 34.05 3kcu n LYS 156 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3kcu n VAL 157 N -1.61 1.17 -0.74 -0.18 0.24 -0.82 -4.48 118.33 111.91 3kcu n VAL 157 Ca 0.05 -1.09 0.08 0.00 -2.04 0.00 0.00 64.34 61.34 3kcu n VAL 157 Cb 0.24 0.41 0.27 0.00 -1.47 0.00 0.00 33.84 33.29 3kcu n VAL 157 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3kcu n HIS 158 N 0.75 1.08 -2.76 6.34 8.25 -1.08 -4.89 115.22 122.92 3kcu n HIS 158 Ca 0.17 -0.73 -0.32 0.00 -0.26 0.00 0.00 57.72 56.58 3kcu n HIS 158 Cb 0.55 -0.26 -0.04 0.00 1.12 0.00 0.00 29.99 31.35 3kcu n HIS 158 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3kcu s HIS 159 N -2.25 3.42 0.92 4.41 3.76 -1.26 -5.07 115.29 119.22 3kcu s HIS 159 Ca 0.41 1.29 -0.12 0.00 -0.15 0.00 0.00 55.06 56.50 3kcu s HIS 159 Cb 0.30 -2.63 0.14 0.00 1.11 0.00 0.00 32.58 31.50 3kcu s HIS 159 CO 0.14 -0.15 1.09 0.95 -0.85 0.00 0.00 174.74 175.92 3kcu s THR 160 N -2.35 2.57 0.20 1.30 -4.23 -1.26 -4.83 115.64 107.03 3kcu s THR 160 Ca 0.56 0.18 -0.11 0.00 -1.18 0.00 0.00 61.69 61.14 3kcu s THR 160 Cb -0.10 -2.62 0.12 0.00 1.34 0.00 0.00 72.50 71.24 3kcu s THR 160 CO 0.26 -0.24 1.82 0.15 -0.54 0.00 0.00 174.62 176.07 3kcu h PHE 161 N -1.64 0.67 -0.31 3.99 3.57 -1.96 -1.12 116.94 120.14 3kcu h PHE 161 Ca -0.50 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 60.94 3kcu h PHE 161 Cb 1.29 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 3kcu h PHE 161 CO 0.41 0.36 -0.13 0.82 -2.23 0.00 0.00 178.31 177.54 3kcu h ILE 162 N 0.69 1.29 -0.70 1.41 2.04 -1.99 -1.92 117.51 118.34 3kcu h ILE 162 Ca 0.26 -1.22 0.09 0.00 1.00 0.00 0.00 64.86 65.00 3kcu h ILE 162 Cb 0.09 1.42 -0.07 0.00 -0.74 0.00 0.00 36.82 37.53 3kcu h ILE 162 CO -0.14 0.39 0.34 -0.33 0.00 0.00 0.00 178.15 178.42 3kcu h GLU 163 N 0.40 0.57 -0.33 2.37 5.08 -1.87 -0.89 114.58 119.91 3kcu h GLU 163 Ca 0.07 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 3kcu h GLU 163 Cb 0.65 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3kcu h GLU 163 CO 0.04 0.38 -0.26 0.00 -1.00 0.00 0.00 179.01 178.17 3kcu h ALA 164 N 1.42 0.94 -0.05 3.43 0.00 -0.96 0.14 119.26 124.18 3kcu h ALA 164 Ca 0.34 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3kcu h ALA 164 Cb 0.36 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3kcu h ALA 164 CO -0.27 0.61 0.01 0.28 0.00 0.00 0.00 179.25 179.88 3kcu h VAL 165 N 0.57 1.22 -0.79 0.00 2.07 -0.95 -1.43 116.25 116.94 3kcu h VAL 165 Ca 0.08 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 3kcu h VAL 165 Cb 0.74 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 3kcu h VAL 165 CO 0.06 0.18 0.30 0.00 0.02 0.00 0.00 177.57 178.12 3kcu h LEU 167 N 1.16 0.01 -0.18 0.00 3.38 -0.92 -1.05 115.31 117.71 3kcu h LEU 167 Ca 0.26 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.10 3kcu h LEU 167 Cb 0.24 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3kcu h LEU 167 CO -0.02 0.19 -0.40 1.23 0.09 0.00 0.00 178.44 179.54 3kcu h GLY 168 N 0.56 0.65 0.61 0.83 0.00 -0.01 -1.17 103.07 104.54 3kcu h GLY 168 Ca -0.00 -0.78 0.04 0.00 0.00 0.00 0.00 47.33 46.59 3kcu h GLY 168 CO 0.02 0.70 -0.06 -2.22 0.00 0.00 0.00 176.54 174.99 3kcu h ILE 169 N 0.25 0.79 -0.29 2.60 2.04 -0.41 -2.20 117.51 120.30 3kcu h ILE 169 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3kcu h ILE 169 Cb 1.00 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 3kcu h ILE 169 CO 0.09 0.00 0.18 -0.07 0.00 0.00 0.00 178.15 178.35 3kcu h LEU 170 N -0.02 0.33 -0.23 1.44 3.38 -1.18 -1.16 115.31 117.89 3kcu h LEU 170 Ca 0.09 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.06 3kcu h LEU 170 Cb 0.15 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3kcu h LEU 170 CO -0.20 0.26 0.07 0.00 0.09 0.00 0.00 178.44 178.67 3kcu h ALA 171 N 1.09 0.25 0.00 1.53 0.00 -1.05 -2.86 119.26 118.21 3kcu h ALA 171 Ca 0.10 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 3kcu h ALA 171 Cb -0.02 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3kcu h ALA 171 CO -0.02 -0.35 -0.63 -0.97 0.00 0.00 0.00 179.25 177.29 3kcu h ASN 172 N 0.18 0.00 -0.44 0.00 -1.24 -1.28 -1.79 115.58 111.01 3kcu h ASN 172 Ca 0.10 0.00 0.09 0.00 0.71 0.00 0.00 56.30 57.20 3kcu h ASN 172 Cb 0.07 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 39.03 3kcu h ASN 172 CO -0.11 0.63 -0.21 -0.07 -1.29 0.00 0.00 177.43 176.39 3kcu h LEU 173 N 0.00 -0.71 -0.30 0.34 3.38 -1.11 -1.26 115.31 115.65 3kcu h LEU 173 Ca -0.01 0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 3kcu h LEU 173 Cb 1.26 0.39 -0.01 0.00 0.09 0.00 0.00 40.66 42.38 3kcu h LEU 173 CO 0.08 -0.24 0.00 0.24 0.09 0.00 0.00 178.44 178.62 3kcu h MET 174 N -0.12 0.53 -0.22 1.13 2.86 -1.21 -1.22 114.93 116.69 3kcu h MET 174 Ca 0.21 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3kcu h MET 174 Cb 0.45 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 3kcu h MET 174 CO -0.52 0.67 0.14 0.28 1.06 0.00 0.00 176.91 178.54 3kcu h VAL 175 N 0.33 1.04 -0.41 -2.22 2.07 -1.25 -0.01 116.25 115.80 3kcu h VAL 175 Ca 0.09 -0.10 -0.13 0.00 0.82 0.00 0.00 66.70 67.38 3kcu h VAL 175 Cb 0.43 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3kcu h VAL 175 CO 0.01 0.05 -0.24 0.00 0.02 0.00 0.00 177.57 177.41 3kcu h LEU 177 N 0.74 0.58 -0.38 0.00 3.38 -1.12 0.14 115.31 118.66 3kcu h LEU 177 Ca 0.09 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 57.95 3kcu h LEU 177 Cb 0.78 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 3kcu h LEU 177 CO 0.06 0.59 0.13 0.00 0.09 0.00 0.00 178.44 179.31 3kcu h ALA 178 N 1.02 0.44 -0.24 1.53 0.00 -0.55 -0.21 119.26 121.24 3kcu h ALA 178 Ca 0.14 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 3kcu h ALA 178 Cb 0.18 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3kcu h ALA 178 CO -0.01 -0.26 -0.45 0.28 0.00 0.00 0.00 179.25 178.81 3kcu h VAL 179 N 0.28 1.30 -0.28 0.00 2.07 -1.05 -1.36 116.25 117.22 3kcu h VAL 179 Ca 0.17 -1.64 0.03 0.00 0.82 0.00 0.00 66.70 66.09 3kcu h VAL 179 Cb 0.16 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 3kcu h VAL 179 CO -0.18 0.52 0.09 -0.25 0.02 0.00 0.00 177.57 177.76 3kcu h TRP 180 N 0.50 0.15 -0.41 1.57 2.91 -0.19 -2.61 115.95 117.88 3kcu h TRP 180 Ca 0.03 0.01 -0.08 0.00 1.13 0.00 0.00 58.89 59.99 3kcu h TRP 180 Cb 0.97 -0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 29.58 3kcu h TRP 180 CO 0.04 0.06 -0.08 0.52 -1.03 0.00 0.00 178.44 177.96 3kcu h MET 181 N 0.21 0.70 -0.35 2.65 2.86 -0.70 -2.60 114.93 117.70 3kcu h MET 181 Ca 0.12 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3kcu h MET 181 Cb 0.10 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 3kcu h MET 181 CO -0.14 0.77 0.22 1.03 1.06 0.00 0.00 176.91 179.85 3kcu h SER 182 N 0.64 0.40 0.91 1.22 0.87 -0.92 -2.20 113.55 114.48 3kcu h SER 182 Ca 0.12 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 3kcu h SER 182 Cb 0.51 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 3kcu h SER 182 CO 0.03 0.30 0.00 -1.22 -0.53 0.00 0.00 176.83 175.41 3kcu n TYR 183 N -4.48 0.27 1.16 2.24 4.01 -0.98 -1.73 117.16 117.65 3kcu n TYR 183 Ca 0.02 0.09 0.12 0.00 -0.16 0.00 0.00 57.90 57.97 3kcu n TYR 183 Cb 0.07 -0.64 0.36 0.00 -0.31 0.00 0.00 39.34 38.82 3kcu n TYR 183 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3kcu n SER 184 N -1.73 2.06 -4.82 7.72 3.41 -0.83 -4.93 113.62 114.51 3kcu n SER 184 Ca 0.05 -1.72 -0.33 0.00 -0.26 0.00 0.00 58.87 56.62 3kcu n SER 184 Cb 0.29 -0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.16 3kcu n SER 184 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3kcu s GLY 185 N -1.77 2.14 0.00 5.00 0.00 -0.70 -4.99 107.32 107.00 3kcu s GLY 185 Ca 0.34 0.32 0.00 0.00 0.00 0.00 0.00 44.72 45.39 3kcu s GLY 185 CO 0.30 0.62 0.46 0.54 0.00 0.00 0.00 173.10 175.02 3kcu n ARG 186 N -1.69 0.02 -4.09 2.90 5.12 -1.26 -4.86 116.66 112.79 3kcu n ARG 186 Ca 0.08 -0.54 -0.10 0.00 -1.93 0.00 0.00 57.85 55.36 3kcu n ARG 186 Cb 0.53 -0.83 -0.09 0.00 -1.16 0.00 0.00 32.46 30.91 3kcu n ARG 186 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3kcu s SER 187 N -0.17 0.18 0.16 0.55 1.04 -1.26 -5.02 113.70 109.18 3kcu s SER 187 Ca 0.00 -1.11 -0.12 0.00 0.48 0.00 0.00 55.95 55.21 3kcu s SER 187 Cb 0.00 0.36 0.04 0.00 0.10 0.00 0.00 66.02 66.52 3kcu s SER 187 CO 0.00 -0.81 1.63 0.25 0.98 0.00 0.00 173.24 175.29 3kcu h LEU 188 N 2.71 0.88 -0.44 2.42 5.85 -1.99 -1.85 115.31 122.89 3kcu h LEU 188 Ca -0.34 -0.28 0.09 0.00 0.84 0.00 0.00 57.88 58.19 3kcu h LEU 188 Cb 1.22 -0.24 -0.09 0.00 0.37 0.00 0.00 40.66 41.92 3kcu h LEU 188 CO 0.54 0.94 -0.14 -0.03 -0.34 0.00 0.00 178.44 179.41 3kcu h MET 189 N 0.79 -0.04 0.24 1.25 4.05 -1.99 -1.26 114.93 117.98 3kcu h MET 189 Ca 0.16 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.59 3kcu h MET 189 Cb 0.46 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.25 3kcu h MET 189 CO 0.02 -0.02 -0.27 -0.44 0.23 0.00 0.00 176.91 176.43 3kcu h ASP 190 N -0.04 -0.73 -0.56 1.39 3.32 -1.83 -1.52 116.42 116.45 3kcu h ASP 190 Ca 0.21 0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.26 3kcu h ASP 190 Cb 0.36 0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 3kcu h ASP 190 CO -0.48 -0.38 0.07 0.11 -1.72 0.00 0.00 179.24 176.85 3kcu h LYS 191 N -0.55 0.98 0.00 3.56 1.57 -1.14 -2.77 116.57 118.23 3kcu h LYS 191 Ca -0.00 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3kcu h LYS 191 Cb 0.52 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 3kcu h LYS 191 CO -0.08 0.92 -0.07 0.00 -0.57 0.00 0.00 179.45 179.65 3kcu h ALA 192 N 1.16 0.00 0.00 3.86 0.00 -1.18 -3.39 119.26 119.71 3kcu h ALA 192 Ca 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3kcu h ALA 192 Cb 0.43 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3kcu h ALA 192 CO 0.01 0.07 0.00 0.74 0.00 0.00 0.00 179.25 180.07 3kcu h PHE 193 N -1.00 0.00 0.00 0.00 0.04 -1.37 -1.94 116.94 112.67 3kcu h PHE 193 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3kcu h PHE 193 Cb 0.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.31 3kcu h PHE 193 CO 0.00 0.00 0.00 0.97 -0.60 0.00 0.00 178.31 178.68 3kcu h ILE 194 N 0.00 0.00 0.00 -0.55 6.09 -1.67 -2.95 117.51 118.43 3kcu h ILE 194 Ca 0.00 -0.45 0.00 0.00 -1.37 0.00 0.00 64.86 63.04 3kcu h ILE 194 Cb 0.43 1.37 0.00 0.00 0.47 0.00 0.00 36.82 39.09 3kcu h ILE 194 CO 0.00 0.00 -0.64 0.23 -3.07 0.00 0.00 178.15 174.67 3kcu n MET 195 N -2.79 0.21 0.25 2.19 2.81 -0.73 -4.47 117.12 114.59 3kcu n MET 195 Ca 0.01 0.05 -0.16 0.00 -1.81 0.00 0.00 57.70 55.79 3kcu n MET 195 Cb 0.30 -1.62 -0.08 0.00 -0.71 0.00 0.00 33.22 31.11 3kcu n MET 195 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3kcu h VAL 196 N 0.00 0.22 -0.11 2.03 2.07 -1.62 -1.71 116.25 117.13 3kcu h VAL 196 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3kcu h VAL 196 Cb 0.67 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3kcu h VAL 196 CO 0.00 0.00 0.07 -0.07 0.02 0.00 0.00 177.57 177.59 3kcu h LEU 197 N -0.80 0.12 -0.97 2.57 4.07 -1.79 0.49 115.31 119.01 3kcu h LEU 197 Ca -0.03 -0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.83 3kcu h LEU 197 Cb 0.71 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.41 3kcu h LEU 197 CO -0.05 0.09 -0.25 1.55 -1.08 0.00 0.00 178.44 178.70 3kcu h PRO 198 N 0.15 0.45 -0.05 1.13 0.13 -1.78 -1.09 132.00 130.94 3kcu h PRO 198 Ca 0.04 -0.17 -0.03 0.00 -0.87 0.00 0.00 66.00 64.97 3kcu h PRO 198 Cb -0.02 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.09 3kcu h PRO 198 CO -0.01 0.67 -0.10 0.28 -0.23 0.00 0.00 178.00 178.61 3kcu h VAL 199 N 0.40 1.42 -0.93 1.56 2.07 -1.13 -2.89 116.25 116.76 3kcu h VAL 199 Ca 0.06 -1.42 0.16 0.00 0.82 0.00 0.00 66.70 66.32 3kcu h VAL 199 Cb 0.65 2.24 -0.08 0.00 -1.52 0.00 0.00 31.29 32.59 3kcu h VAL 199 CO 0.05 0.39 0.59 0.00 0.02 0.00 0.00 177.57 178.62 3kcu h ALA 200 N 0.47 1.84 0.15 1.67 0.00 -0.80 -1.28 119.26 121.30 3kcu h ALA 200 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3kcu h ALA 200 Cb 0.68 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3kcu h ALA 200 CO 0.02 -0.11 -0.07 1.98 0.00 0.00 0.00 179.25 181.07 3kcu h MET 201 N 0.69 -0.19 -0.76 0.00 -1.53 -1.18 0.42 114.93 112.38 3kcu h MET 201 Ca 0.48 0.01 -0.05 0.00 -3.44 0.00 0.00 59.70 56.71 3kcu h MET 201 Cb 0.81 0.04 -0.03 0.00 -0.55 0.00 0.00 31.60 31.87 3kcu h MET 201 CO -0.24 -0.04 0.29 0.27 0.14 0.00 0.00 176.91 177.34 3kcu h PHE 202 N -0.31 1.16 0.03 1.39 -5.15 -1.13 -2.16 116.94 110.77 3kcu h PHE 202 Ca -0.02 -0.09 -0.00 0.00 -0.20 0.00 0.00 57.97 57.66 3kcu h PHE 202 Cb 0.25 -0.35 0.00 0.00 0.22 0.00 0.00 35.95 36.07 3kcu h PHE 202 CO -0.03 0.89 -0.01 0.28 -2.00 0.00 0.00 178.31 177.43 3kcu h VAL 203 N 1.10 1.38 -0.67 0.88 2.07 -1.13 -0.30 116.25 119.58 3kcu h VAL 203 Ca 0.25 -1.37 0.05 0.00 0.82 0.00 0.00 66.70 66.45 3kcu h VAL 203 Cb 0.23 2.28 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 3kcu h VAL 203 CO -0.02 0.34 0.45 0.00 0.02 0.00 0.00 177.57 178.36 3kcu h ALA 204 N 0.28 1.70 -0.01 1.67 0.00 -0.19 -0.61 119.26 122.11 3kcu h ALA 204 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kcu h ALA 204 Cb 0.59 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3kcu h ALA 204 CO 0.01 0.21 0.00 0.43 0.00 0.00 0.00 179.25 179.90 3kcu n SER 205 N -4.47 0.12 -1.89 0.00 7.64 -0.82 -4.82 113.62 109.38 3kcu n SER 205 Ca 0.09 -1.27 -0.18 0.00 1.01 0.00 0.00 58.87 58.53 3kcu n SER 205 Cb 0.19 -0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.36 3kcu n SER 205 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kcu n GLY 206 N 0.90 -0.01 3.76 0.23 0.00 -0.24 -5.01 105.19 104.82 3kcu n GLY 206 Ca 0.18 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3kcu n GLY 206 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kcu s PHE 207 N -2.84 2.47 -0.30 1.61 0.08 -0.14 -5.00 117.98 113.86 3kcu s PHE 207 Ca 0.00 1.58 -0.08 0.00 0.12 0.00 0.00 56.93 58.55 3kcu s PHE 207 Cb 0.00 -3.14 0.00 0.00 -0.57 0.00 0.00 43.02 39.31 3kcu s PHE 207 CO 0.00 -1.91 0.11 -1.21 -0.10 0.00 0.00 175.22 172.11 3kcu s GLU 208 N -4.55 3.19 -0.24 0.44 0.41 -0.69 -4.78 118.70 112.48 3kcu s GLU 208 Ca 0.64 -0.80 -0.07 0.00 -0.41 0.00 0.00 54.97 54.34 3kcu s GLU 208 Cb -0.20 -3.45 -0.03 0.00 -1.78 0.00 0.00 34.13 28.68 3kcu s GLU 208 CO 0.51 -0.43 0.05 -1.58 -0.49 0.00 0.00 175.26 173.31 3kcu s HIS 209 N 1.54 3.07 0.23 1.61 5.65 -1.26 -3.99 115.29 122.14 3kcu s HIS 209 Ca 0.03 -0.47 -0.07 0.00 0.25 0.00 0.00 55.06 54.81 3kcu s HIS 209 Cb -0.17 -2.20 0.35 0.00 -1.18 0.00 0.00 32.58 29.38 3kcu s HIS 209 CO 0.04 -0.35 1.78 0.66 -0.65 0.00 0.00 174.74 176.22 3kcu h SER 210 N 8.07 0.48 -0.09 9.88 4.64 -1.94 -0.88 113.55 133.70 3kcu h SER 210 Ca -0.38 0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 60.94 3kcu h SER 210 Cb 1.17 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3kcu h SER 210 CO 0.59 0.27 -0.16 0.40 -0.87 0.00 0.00 176.83 177.06 3kcu h ILE 211 N 0.62 1.39 -0.84 0.95 1.08 -1.97 -2.14 117.51 116.60 3kcu h ILE 211 Ca 0.36 -1.42 0.19 0.00 -0.39 0.00 0.00 64.86 63.59 3kcu h ILE 211 Cb 0.38 2.10 -0.12 0.00 -3.07 0.00 0.00 36.82 36.11 3kcu h ILE 211 CO -0.27 0.41 0.33 0.00 -0.69 0.00 0.00 178.15 177.92 3kcu h ALA 212 N 0.52 1.25 0.00 1.87 0.00 -1.83 -0.59 119.26 120.49 3kcu h ALA 212 Ca 0.01 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3kcu h ALA 212 Cb 0.73 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3kcu h ALA 212 CO 0.04 -0.31 0.00 -0.91 0.00 0.00 0.00 179.25 178.07 3kcu h ASN 213 N 0.39 0.00 0.71 0.00 2.35 -0.88 -1.88 115.58 116.26 3kcu h ASN 213 Ca 0.50 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.20 3kcu h ASN 213 Cb 0.89 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.25 3kcu h ASN 213 CO -0.50 0.00 -0.25 0.24 -1.65 0.00 0.00 177.43 175.27 3kcu h MET 214 N 0.00 0.00 0.00 0.81 2.86 -0.43 -1.83 114.93 116.33 3kcu h MET 214 Ca 0.00 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 3kcu h MET 214 Cb 0.45 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 3kcu h MET 214 CO 0.00 0.25 -0.64 0.35 1.06 0.00 0.00 176.91 177.94 3kcu h PHE 215 N 0.00 0.00 -0.21 -0.22 3.57 -1.32 -3.39 116.94 115.37 3kcu h PHE 215 Ca -0.00 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 3kcu h PHE 215 Cb 0.67 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 3kcu h PHE 215 CO 0.00 1.01 0.05 1.98 -2.23 0.00 0.00 178.31 179.12 3kcu h MET 216 N -1.00 0.34 0.00 1.11 4.05 -1.25 -0.27 114.93 117.91 3kcu h MET 216 Ca -0.16 -0.08 -0.14 0.00 -0.28 0.00 0.00 59.70 59.04 3kcu h MET 216 Cb 0.98 -0.05 0.01 0.00 -0.80 0.00 0.00 31.60 31.75 3kcu h MET 216 CO -0.10 0.45 -0.54 0.82 0.23 0.00 0.00 176.91 177.78 3kcu h ILE 217 N 0.16 1.46 -0.59 1.77 2.04 -1.60 -1.62 117.51 119.13 3kcu h ILE 217 Ca 0.07 -2.08 0.01 0.00 1.00 0.00 0.00 64.86 63.86 3kcu h ILE 217 Cb 0.27 2.66 -0.03 0.00 -0.74 0.00 0.00 36.82 38.98 3kcu h ILE 217 CO 0.00 0.60 0.39 -0.65 0.00 0.00 0.00 178.15 178.49 3kcu h PRO 218 N -0.19 0.76 -1.00 2.37 0.11 -1.72 -0.34 132.00 131.99 3kcu h PRO 218 Ca -0.07 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 66.06 3kcu h PRO 218 Cb 1.27 -0.17 -0.07 0.00 0.11 0.00 0.00 31.00 32.14 3kcu h PRO 218 CO 0.11 0.50 0.65 1.98 -0.21 0.00 0.00 178.00 181.03 3kcu h MET 219 N 0.79 1.13 -0.15 1.05 4.05 -0.86 -1.16 114.93 119.78 3kcu h MET 219 Ca 0.22 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.56 3kcu h MET 219 Cb -0.07 -0.25 -0.01 0.00 -0.80 0.00 0.00 31.60 30.47 3kcu h MET 219 CO -0.05 0.75 0.04 0.78 0.23 0.00 0.00 176.91 178.66 3kcu h GLY 220 N 1.16 0.26 0.76 1.39 0.00 -0.13 -2.05 103.07 104.46 3kcu h GLY 220 Ca 0.43 -0.16 0.05 0.00 0.00 0.00 0.00 47.33 47.65 3kcu h GLY 220 CO -0.17 0.15 0.43 -2.22 0.00 0.00 0.00 176.54 174.72 3kcu h ILE 221 N 0.05 1.03 -0.07 2.60 2.04 -0.78 0.21 117.51 122.60 3kcu h ILE 221 Ca 0.05 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 3kcu h ILE 221 Cb 0.25 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.48 3kcu h ILE 221 CO -0.00 0.15 0.02 0.58 0.00 0.00 0.00 178.15 178.90 3kcu h VAL 222 N 0.80 1.17 -0.56 1.67 2.07 -1.15 0.11 116.25 120.35 3kcu h VAL 222 Ca 0.31 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 3kcu h VAL 222 Cb 0.12 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3kcu h VAL 222 CO -0.15 0.14 0.31 0.40 0.02 0.00 0.00 177.57 178.29 3kcu h ILE 223 N -0.08 1.19 -0.67 4.57 2.04 -1.22 0.02 117.51 123.36 3kcu h ILE 223 Ca 0.02 -0.48 0.01 0.00 1.00 0.00 0.00 64.86 65.42 3kcu h ILE 223 Cb 0.21 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 3kcu h ILE 223 CO -0.00 0.20 0.44 -0.09 0.00 0.00 0.00 178.15 178.70 3kcu h ARG 224 N 0.76 0.86 0.01 2.37 2.43 -0.64 0.04 114.38 120.21 3kcu h ARG 224 Ca 0.20 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 59.12 3kcu h ARG 224 Cb 0.05 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 3kcu h ARG 224 CO -0.03 0.57 -0.90 -0.44 -1.51 0.00 0.00 179.97 177.66 3kcu h ASP 225 N 0.89 0.08 -0.00 -3.80 3.32 -0.51 -3.39 116.42 113.01 3kcu h ASP 225 Ca 0.25 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3kcu h ASP 225 Cb -0.08 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.44 3kcu h ASP 225 CO -0.06 0.93 -0.04 0.49 -1.72 0.00 0.00 179.24 178.84 3kcu n PHE 226 N -3.53 0.00 -1.50 4.55 3.72 -0.03 -5.04 117.46 115.62 3kcu n PHE 226 Ca -0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.96 3kcu n PHE 226 Cb 0.84 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.38 3kcu n PHE 226 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kcu n ALA 227 N -0.78 -1.06 -1.50 4.37 0.00 -0.01 -4.97 120.51 116.56 3kcu n ALA 227 Ca 0.00 0.21 -0.30 0.00 0.00 0.00 0.00 53.44 53.36 3kcu n ALA 227 Cb 0.02 -1.86 0.09 0.00 0.00 0.00 0.00 19.45 17.69 3kcu n ALA 227 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3kcu s SER 228 N -0.87 4.59 0.41 0.00 1.04 -1.26 -4.95 113.70 112.65 3kcu s SER 228 Ca 0.63 1.43 0.09 0.00 0.48 0.00 0.00 55.95 58.59 3kcu s SER 228 Cb -0.62 -2.19 0.86 0.00 0.10 0.00 0.00 66.02 64.17 3kcu s SER 228 CO 0.58 -1.93 1.99 -0.65 0.98 0.00 0.00 173.24 174.21 3kcu h PRO 229 N -1.06 0.32 -0.90 4.02 0.11 -2.00 -2.44 132.00 130.05 3kcu h PRO 229 Ca -0.46 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.62 3kcu h PRO 229 Cb 1.25 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 3kcu h PRO 229 CO 0.58 0.33 0.59 0.93 -0.21 0.00 0.00 178.00 180.22 3kcu h GLU 230 N 0.32 1.13 0.28 1.05 3.07 -1.99 -1.44 114.58 117.00 3kcu h GLU 230 Ca 0.08 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 3kcu h GLU 230 Cb 0.19 -0.26 0.00 0.00 -0.84 0.00 0.00 28.75 27.84 3kcu h GLU 230 CO 0.00 0.75 -0.14 0.35 -1.40 0.00 0.00 179.01 178.57 3kcu h PHE 231 N 1.17 -0.35 -0.83 4.33 3.57 -1.81 0.90 116.94 123.92 3kcu h PHE 231 Ca 0.35 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 3kcu h PHE 231 Cb -0.06 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 3kcu h PHE 231 CO -0.01 -0.22 0.48 -1.49 -2.23 0.00 0.00 178.31 174.84 3kcu h TRP 232 N -0.38 1.10 -0.52 0.41 -0.00 -1.33 -1.26 115.95 113.97 3kcu h TRP 232 Ca -0.04 -0.01 -0.12 0.00 -0.00 0.00 0.00 58.89 58.72 3kcu h TRP 232 Cb 0.29 -0.36 -0.02 0.00 -0.00 0.00 0.00 29.16 29.08 3kcu h TRP 232 CO -0.06 0.74 -0.14 1.15 -0.00 0.00 0.00 178.44 180.13 3kcu h THR 233 N 1.15 1.27 -0.62 1.49 2.02 -1.21 -0.41 112.91 116.60 3kcu h THR 233 Ca 0.30 -1.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.14 3kcu h THR 233 Cb -0.02 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 3kcu h THR 233 CO -0.05 0.46 0.26 0.00 0.37 0.00 0.00 175.52 176.55 3kcu h ALA 234 N 0.94 0.81 -0.19 6.16 0.00 0.29 -3.01 119.26 124.25 3kcu h ALA 234 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kcu h ALA 234 Cb 0.71 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3kcu h ALA 234 CO 0.05 0.41 0.00 1.33 0.00 0.00 0.00 179.25 181.04 3kcu n VAL 235 N -4.46 0.23 -3.30 0.00 0.24 -0.65 -4.96 118.33 105.43 3kcu n VAL 235 Ca 0.04 -0.53 -0.21 0.00 -2.04 0.00 0.00 64.34 61.61 3kcu n VAL 235 Cb 0.16 0.93 0.06 0.00 -1.47 0.00 0.00 33.84 33.52 3kcu n VAL 235 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kcu n GLY 236 N 1.34 -0.38 0.00 7.63 0.00 -0.66 -5.01 105.19 108.12 3kcu n GLY 236 Ca 0.17 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.30 3kcu n GLY 236 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3kcu n SER 237 N -2.36 0.61 -3.49 1.61 2.88 -0.25 -5.03 113.62 107.59 3kcu n SER 237 Ca -0.03 -0.11 -0.15 0.00 -1.33 0.00 0.00 58.87 57.26 3kcu n SER 237 Cb 0.57 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.99 3kcu n SER 237 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kcu s ALA 238 N -2.00 -1.74 0.47 -1.46 0.00 -1.26 -4.48 121.76 111.29 3kcu s ALA 238 Ca 0.00 1.07 0.12 0.00 0.00 0.00 0.00 51.96 53.15 3kcu s ALA 238 Cb 0.00 0.23 1.08 0.00 0.00 0.00 0.00 23.12 24.43 3kcu s ALA 238 CO 0.00 -0.51 2.10 -1.35 0.00 0.00 0.00 175.76 176.00 3kcu h PRO 239 N 2.58 0.27 -0.17 0.00 0.11 -1.98 -0.68 132.00 132.12 3kcu h PRO 239 Ca -0.28 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.86 3kcu h PRO 239 Cb 1.20 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3kcu h PRO 239 CO 0.37 0.18 0.24 0.93 -0.21 0.00 0.00 178.00 179.51 3kcu h GLU 240 N 0.27 0.00 -0.00 1.05 3.07 -1.96 -0.77 114.58 116.24 3kcu h GLU 240 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 3kcu h GLU 240 Cb 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 3kcu h GLU 240 CO -0.02 0.00 -0.02 0.09 -1.40 0.00 0.00 179.01 177.66 3kcu n ASN 241 N -3.55 0.23 -2.54 1.42 3.02 -0.26 -3.73 115.26 109.85 3kcu n ASN 241 Ca 0.01 -0.80 -0.09 0.00 -0.03 0.00 0.00 54.58 53.68 3kcu n ASN 241 Cb 0.36 -0.07 0.04 0.00 -0.61 0.00 0.00 39.78 39.49 3kcu n ASN 241 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3kcu n PHE 242 N -0.93 1.82 0.56 3.10 3.72 -0.30 -4.90 117.46 120.53 3kcu n PHE 242 Ca 0.20 -2.19 0.10 0.00 -0.05 0.00 0.00 57.45 55.50 3kcu n PHE 242 Cb 0.19 -0.27 0.42 0.00 -0.94 0.00 0.00 39.48 38.88 3kcu n PHE 242 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3kcu n SER 243 N -0.63 0.28 0.04 4.37 3.41 -1.24 -1.69 113.62 118.17 3kcu n SER 243 Ca 0.21 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.51 3kcu n SER 243 Cb 0.86 -0.62 0.51 0.00 -0.26 0.00 0.00 64.21 64.70 3kcu n SER 243 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3kcu n HIS 244 N -1.79 0.40 -2.74 7.33 -0.00 -1.26 -4.56 115.22 112.59 3kcu n HIS 244 Ca 0.04 0.12 -0.43 0.00 -0.00 0.00 0.00 57.72 57.44 3kcu n HIS 244 Cb 0.24 -0.68 -0.01 0.00 -0.00 0.00 0.00 29.99 29.54 3kcu n HIS 244 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3kcu s LEU 245 N -3.66 4.31 0.20 2.41 1.43 -0.68 -4.70 118.68 117.99 3kcu s LEU 245 Ca 0.12 -2.20 0.04 0.00 -1.03 0.00 0.00 54.13 51.07 3kcu s LEU 245 Cb 0.16 -2.49 -0.05 0.00 0.03 0.00 0.00 46.19 43.84 3kcu s LEU 245 CO 0.57 -1.14 -0.05 0.42 0.23 0.00 0.00 176.35 176.37 3kcu s THR 246 N 3.47 1.15 0.19 5.49 -4.23 -1.26 -4.71 115.64 115.74 3kcu s THR 246 Ca 0.44 -2.06 -0.11 0.00 -1.18 0.00 0.00 61.69 58.78 3kcu s THR 246 Cb -0.01 -2.13 0.11 0.00 1.34 0.00 0.00 72.50 71.81 3kcu s THR 246 CO -0.03 -0.51 1.79 0.58 -0.54 0.00 0.00 174.62 175.91 3kcu h VAL 247 N 2.60 0.95 -0.41 2.29 2.07 -1.98 -0.96 116.25 120.80 3kcu h VAL 247 Ca -0.38 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 3kcu h VAL 247 Cb 1.21 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3kcu h VAL 247 CO 0.64 0.10 0.06 -0.03 0.02 0.00 0.00 177.57 178.37 3kcu h MET 248 N 0.56 0.69 -0.32 1.57 1.85 -1.97 -1.23 114.93 116.07 3kcu h MET 248 Ca 0.26 -0.19 0.00 0.00 -0.61 0.00 0.00 59.70 59.16 3kcu h MET 248 Cb 0.17 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.10 3kcu h MET 248 CO -0.18 0.73 0.21 -0.91 -0.40 0.00 0.00 176.91 176.36 3kcu h ASN 249 N 0.54 0.36 -0.51 1.39 2.35 -1.79 0.00 115.58 117.92 3kcu h ASN 249 Ca 0.12 -0.01 0.09 0.00 -0.55 0.00 0.00 56.30 55.96 3kcu h ASN 249 Cb 0.38 -0.09 -0.10 0.00 0.05 0.00 0.00 38.32 38.56 3kcu h ASN 249 CO 0.01 0.26 -0.32 0.15 -1.65 0.00 0.00 177.43 175.88 3kcu h PHE 250 N 0.43 -0.88 -0.18 1.19 3.57 -0.99 0.21 116.94 120.30 3kcu h PHE 250 Ca 0.12 0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 3kcu h PHE 250 Cb -0.04 0.46 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 3kcu h PHE 250 CO -0.06 -0.37 -0.03 0.82 -2.23 0.00 0.00 178.31 176.44 3kcu h ILE 251 N -0.19 1.28 0.12 1.41 2.04 -0.90 0.52 117.51 121.79 3kcu h ILE 251 Ca 0.21 -0.98 -0.30 0.00 1.00 0.00 0.00 64.86 64.79 3kcu h ILE 251 Cb 0.54 1.56 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 3kcu h ILE 251 CO -0.62 0.29 -1.51 0.71 0.00 0.00 0.00 178.15 177.03 3kcu h THR 252 N 0.06 1.18 0.00 -0.27 1.35 -0.76 -1.00 112.91 113.47 3kcu h THR 252 Ca 0.05 -2.81 0.00 0.00 -0.55 0.00 0.00 66.41 63.10 3kcu h THR 252 Cb 0.46 2.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.66 3kcu h THR 252 CO 0.02 0.82 -1.47 0.47 -0.25 0.00 0.00 175.52 175.11 3kcu n ASP 253 N -3.47 0.45 0.03 5.36 10.43 0.73 -4.57 116.55 125.51 3kcu n ASP 253 Ca -0.16 0.15 0.00 0.00 2.57 0.00 0.00 54.79 57.35 3kcu n ASP 253 Cb 1.04 1.18 0.00 0.00 1.84 0.00 0.00 41.12 45.18 3kcu n ASP 253 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 3kcu n ASN 254 N -2.46 0.52 -0.14 -2.24 2.85 -0.96 -4.71 115.26 108.12 3kcu n ASN 254 Ca -0.02 0.08 -0.05 0.00 -0.11 0.00 0.00 54.58 54.49 3kcu n ASN 254 Cb 0.55 -0.14 0.04 0.00 1.24 0.00 0.00 39.78 41.47 3kcu n ASN 254 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 3kcu h LEU 255 N 0.00 0.25 0.45 1.20 5.85 -0.84 0.32 115.31 122.54 3kcu h LEU 255 Ca 0.00 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 3kcu h LEU 255 Cb 0.00 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3kcu h LEU 255 CO 0.00 0.18 -0.22 0.40 -0.34 0.00 0.00 178.44 178.46 3kcu h ILE 256 N 0.39 0.52 -0.26 4.05 2.04 -1.43 -0.27 117.51 122.54 3kcu h ILE 256 Ca 0.20 -0.32 -0.12 0.00 1.00 0.00 0.00 64.86 65.63 3kcu h ILE 256 Cb 0.15 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 3kcu h ILE 256 CO -0.17 0.05 -0.33 1.55 0.00 0.00 0.00 178.15 179.25 3kcu h PRO 257 N -0.81 0.56 -0.56 2.37 0.13 -1.78 -1.88 132.00 130.02 3kcu h PRO 257 Ca -0.06 -0.25 -0.07 0.00 -0.87 0.00 0.00 66.00 64.75 3kcu h PRO 257 Cb 0.55 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.65 3kcu h PRO 257 CO 0.10 0.81 0.07 0.28 -0.23 0.00 0.00 178.00 179.04 3kcu h VAL 258 N 0.48 1.24 -0.32 1.56 2.07 -0.97 -1.08 116.25 119.23 3kcu h VAL 258 Ca 0.06 -0.96 -0.07 0.00 0.82 0.00 0.00 66.70 66.55 3kcu h VAL 258 Cb 0.80 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3kcu h VAL 258 CO 0.07 0.35 -0.06 0.74 0.02 0.00 0.00 177.57 178.68 3kcu h THR 259 N 0.85 1.28 -0.12 2.57 2.02 -0.86 0.55 112.91 119.19 3kcu h THR 259 Ca 0.17 -1.10 0.04 0.00 0.77 0.00 0.00 66.41 66.30 3kcu h THR 259 Cb 0.40 1.34 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 3kcu h THR 259 CO 0.01 0.36 -0.14 0.40 0.37 0.00 0.00 175.52 176.52 3kcu h ILE 260 N 0.39 0.62 -0.51 3.11 2.04 -1.23 -1.60 117.51 120.33 3kcu h ILE 260 Ca 0.08 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.98 3kcu h ILE 260 Cb 0.55 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 3kcu h ILE 260 CO 0.03 0.00 0.28 1.23 0.00 0.00 0.00 178.15 179.69 3kcu h GLY 261 N -0.17 0.72 0.27 5.37 0.00 -1.05 -1.05 103.07 107.16 3kcu h GLY 261 Ca 0.09 -0.20 0.08 0.00 0.00 0.00 0.00 47.33 47.30 3kcu h GLY 261 CO -0.23 0.15 -0.06 3.43 0.00 0.00 0.00 176.54 179.83 3kcu h ASN 262 N 0.54 -0.28 -0.76 0.19 -0.26 -0.58 0.34 115.58 114.78 3kcu h ASN 262 Ca 0.22 0.11 -0.05 0.00 -0.56 0.00 0.00 56.30 56.02 3kcu h ASN 262 Cb 0.09 0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 37.53 3kcu h ASN 262 CO -0.13 -0.10 0.29 0.40 -1.06 0.00 0.00 177.43 176.83 3kcu h ILE 263 N 0.04 1.26 -0.73 2.81 2.04 -0.96 -1.70 117.51 120.27 3kcu h ILE 263 Ca 0.19 -0.83 -0.05 0.00 1.00 0.00 0.00 64.86 65.17 3kcu h ILE 263 Cb 0.29 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 3kcu h ILE 263 CO -0.37 0.33 0.25 0.40 0.00 0.00 0.00 178.15 178.76 3kcu h ILE 264 N 1.11 1.26 -0.21 -0.67 2.04 -0.51 0.17 117.51 120.69 3kcu h ILE 264 Ca 0.25 -0.87 -0.05 0.00 1.00 0.00 0.00 64.86 65.20 3kcu h ILE 264 Cb 0.24 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 3kcu h ILE 264 CO -0.02 0.34 -0.05 1.23 0.00 0.00 0.00 178.15 179.65 3kcu h GLY 265 N 1.07 0.45 0.70 5.37 0.00 -0.63 0.52 103.07 110.56 3kcu h GLY 265 Ca 0.24 -0.37 0.04 0.00 0.00 0.00 0.00 47.33 47.24 3kcu h GLY 265 CO -0.01 0.34 0.12 -1.33 0.00 0.00 0.00 176.54 175.66 3kcu h GLY 266 N 0.14 0.45 0.44 4.60 0.00 -1.23 -2.63 103.07 104.84 3kcu h GLY 266 Ca 0.05 -0.07 0.08 0.00 0.00 0.00 0.00 47.33 47.39 3kcu h GLY 266 CO 0.02 0.03 0.18 -1.33 0.00 0.00 0.00 176.54 175.44 3kcu h GLY 267 N 0.27 0.72 0.93 4.60 0.00 -0.37 -0.09 103.07 109.14 3kcu h GLY 267 Ca 0.16 -0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.42 3kcu h GLY 267 CO -0.16 -0.02 0.45 1.41 0.00 0.00 0.00 176.54 178.22 3kcu h LEU 268 N 0.35 0.75 -0.67 3.11 3.38 -0.68 0.14 115.31 121.68 3kcu h LEU 268 Ca 0.27 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.10 3kcu h LEU 268 Cb 0.32 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3kcu h LEU 268 CO -0.29 0.53 -0.34 -0.07 0.09 0.00 0.00 178.44 178.37 3kcu h LEU 269 N 0.89 0.69 -0.23 1.67 3.38 -1.06 -1.64 115.31 119.02 3kcu h LEU 269 Ca 0.27 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3kcu h LEU 269 Cb -0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3kcu h LEU 269 CO -0.08 0.97 0.07 0.58 0.09 0.00 0.00 178.44 180.07 3kcu h VAL 270 N 0.56 1.19 -0.32 1.22 2.07 -0.28 0.13 116.25 120.81 3kcu h VAL 270 Ca 0.06 -0.60 0.07 0.00 0.82 0.00 0.00 66.70 67.05 3kcu h VAL 270 Cb 0.84 1.16 -0.07 0.00 -1.52 0.00 0.00 31.29 31.70 3kcu h VAL 270 CO 0.07 0.19 -0.12 1.23 0.02 0.00 0.00 177.57 178.96 3kcu h GLY 271 N 0.20 0.16 0.61 2.17 0.00 -0.66 0.76 103.07 106.31 3kcu h GLY 271 Ca 0.07 0.16 0.06 0.00 0.00 0.00 0.00 47.33 47.61 3kcu h GLY 271 CO -0.00 -0.15 0.16 -2.00 0.00 0.00 0.00 176.54 174.55 3kcu h LEU 272 N -0.06 0.17 0.16 3.11 5.85 -0.84 -2.41 115.31 121.30 3kcu h LEU 272 Ca 0.16 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 3kcu h LEU 272 Cb 0.30 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.37 3kcu h LEU 272 CO -0.36 0.13 -0.08 0.74 -0.34 0.00 0.00 178.44 178.53 3kcu h THR 273 N 0.33 0.89 -0.67 1.05 2.02 0.03 -1.68 112.91 114.89 3kcu h THR 273 Ca 0.21 -0.22 0.13 0.00 0.77 0.00 0.00 66.41 67.30 3kcu h THR 273 Cb 0.20 1.03 -0.13 0.00 -1.74 0.00 0.00 68.15 67.51 3kcu h THR 273 CO -0.21 0.05 -0.19 0.22 0.37 0.00 0.00 175.52 175.77 3kcu h TYR 274 N -0.32 -0.41 -0.26 3.16 3.20 -0.70 -1.07 116.97 120.56 3kcu h TYR 274 Ca -0.02 0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 3kcu h TYR 274 Cb 0.25 0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 3kcu h TYR 274 CO -0.03 -0.30 0.04 -1.49 -1.64 0.00 0.00 178.16 174.74 3kcu h TRP 275 N -0.02 0.46 -0.23 -3.82 4.06 -1.06 0.46 115.95 115.81 3kcu h TRP 275 Ca 0.32 -0.06 -0.01 0.00 2.06 0.00 0.00 58.89 61.19 3kcu h TRP 275 Cb 0.50 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.52 3kcu h TRP 275 CO -0.55 0.54 0.09 0.28 -3.56 0.00 0.00 178.44 175.24 3kcu h VAL 276 N 0.24 1.09 0.02 1.49 2.07 -0.95 -0.58 116.25 119.63 3kcu h VAL 276 Ca 0.08 -0.28 -0.23 0.00 0.82 0.00 0.00 66.70 67.09 3kcu h VAL 276 Cb 0.33 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3kcu h VAL 276 CO 0.01 0.11 -0.97 0.40 0.02 0.00 0.00 177.57 177.13 3kcu h ILE 277 N 0.31 1.42 -0.18 4.57 2.04 -0.85 -3.32 117.51 121.51 3kcu h ILE 277 Ca 0.08 -2.54 -0.03 0.00 1.00 0.00 0.00 64.86 63.37 3kcu h ILE 277 Cb 0.06 2.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 3kcu h ILE 277 CO -0.01 0.75 0.01 0.22 0.00 0.00 0.00 178.15 179.12 3kcu h TYR 278 N 0.20 0.33 -0.82 1.37 3.20 -0.13 -3.38 116.97 117.74 3kcu h TYR 278 Ca -0.08 -0.05 -0.20 0.00 3.14 0.00 0.00 58.73 61.53 3kcu h TYR 278 Cb 1.62 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.79 3kcu h TYR 278 CO 0.06 0.50 0.61 -0.51 -1.64 0.00 0.00 178.16 177.17 3kcu s LEU 279 N -9.54 3.07 0.00 2.82 1.43 -0.30 -5.09 118.68 111.07 3kcu s LEU 279 Ca -0.14 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 3kcu s LEU 279 Cb 0.06 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.74 3kcu s LEU 279 CO 0.72 -3.30 0.00 0.54 0.23 0.00 0.00 176.35 174.54