#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcu s HIS 30 N 0.00 2.66 0.31 2.13 2.46 -1.26 -4.91 115.29 116.69 3kcu s HIS 30 Ca 0.00 0.65 0.05 0.00 0.47 0.00 0.00 55.06 56.22 3kcu s HIS 30 Cb 0.00 -3.75 0.67 0.00 -0.13 0.00 0.00 32.58 29.37 3kcu s HIS 30 CO 0.00 -2.88 1.84 -1.35 -2.47 0.00 0.00 174.74 169.88 3kcu h PRO 31 N 8.14 0.84 0.00 2.88 0.11 -2.04 -1.70 132.00 140.23 3kcu h PRO 31 Ca -0.39 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.54 3kcu h PRO 31 Cb 1.18 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 3kcu h PRO 31 CO 0.92 0.56 -0.62 1.25 -0.21 0.00 0.00 178.00 179.89 3kcu h LEU 32 N 0.86 0.00 -0.17 2.35 5.85 -1.99 -2.90 115.31 119.31 3kcu h LEU 32 Ca 0.49 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 59.14 3kcu h LEU 32 Cb 0.61 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 3kcu h LEU 32 CO -0.26 0.61 -0.16 0.50 -0.34 0.00 0.00 178.44 178.80 3kcu h LYS 33 N 0.00 0.40 -0.01 1.25 3.64 -1.72 -2.50 116.57 117.64 3kcu h LYS 33 Ca -0.01 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.12 3kcu h LYS 33 Cb 1.47 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.29 3kcu h LYS 33 CO 0.08 0.76 -0.23 1.79 -2.27 0.00 0.00 179.45 179.59 3kcu h THR 34 N 0.04 1.17 -0.64 1.00 1.35 -1.53 0.25 112.91 114.55 3kcu h THR 34 Ca 0.03 -0.79 -0.03 0.00 -0.55 0.00 0.00 66.41 65.07 3kcu h THR 34 Cb 0.69 1.41 -0.03 0.00 -1.73 0.00 0.00 68.15 68.49 3kcu h THR 34 CO 0.04 0.23 0.30 0.15 -0.25 0.00 0.00 175.52 175.99 3kcu h PHE 35 N 0.01 0.93 -0.28 4.73 3.57 -1.35 1.17 116.94 125.72 3kcu h PHE 35 Ca 0.00 -0.05 -0.16 0.00 3.53 0.00 0.00 57.97 61.29 3kcu h PHE 35 Cb 0.41 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 3kcu h PHE 35 CO 0.00 0.70 -0.46 1.88 -2.23 0.00 0.00 178.31 178.21 3kcu h TYR 36 N 0.88 0.88 -0.19 0.41 0.05 -0.93 0.18 116.97 118.25 3kcu h TYR 36 Ca 0.22 -0.28 -0.13 0.00 0.05 0.00 0.00 58.73 58.59 3kcu h TYR 36 Cb 0.13 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.68 3kcu h TYR 36 CO 0.00 1.05 -0.43 -0.07 -1.05 0.00 0.00 178.16 177.66 3kcu h LEU 37 N 0.58 0.50 -0.18 3.88 3.38 -0.57 -0.19 115.31 122.71 3kcu h LEU 37 Ca 0.03 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 3kcu h LEU 37 Cb 1.02 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 3kcu h LEU 37 CO 0.10 0.87 0.01 0.00 0.09 0.00 0.00 178.44 179.51 3kcu h ALA 38 N 1.15 0.24 -0.86 1.53 0.00 0.15 -0.85 119.26 120.62 3kcu h ALA 38 Ca 0.03 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.82 3kcu h ALA 38 Cb 0.92 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 3kcu h ALA 38 CO 0.08 -0.07 0.56 0.82 0.00 0.00 0.00 179.25 180.64 3kcu h ILE 39 N 0.08 1.06 -0.49 0.00 2.04 -0.80 -1.33 117.51 118.07 3kcu h ILE 39 Ca 0.05 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 3kcu h ILE 39 Cb 0.35 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 3kcu h ILE 39 CO 0.01 0.18 0.19 0.74 0.00 0.00 0.00 178.15 179.26 3kcu h THR 40 N 0.97 1.21 -0.53 -0.27 2.02 -0.71 -2.08 112.91 113.52 3kcu h THR 40 Ca 0.37 -0.67 -0.04 0.00 0.77 0.00 0.00 66.41 66.84 3kcu h THR 40 Cb 0.21 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 3kcu h THR 40 CO -0.13 0.25 0.18 0.00 0.37 0.00 0.00 175.52 176.19 3kcu h ALA 41 N 1.04 1.31 -0.57 6.16 0.00 -0.59 0.39 119.26 126.99 3kcu h ALA 41 Ca 0.16 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kcu h ALA 41 Cb 0.21 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3kcu h ALA 41 CO -0.01 0.50 0.35 0.78 0.00 0.00 0.00 179.25 180.87 3kcu h GLY 42 N 0.93 0.82 1.03 0.00 0.00 -0.92 0.12 103.07 105.04 3kcu h GLY 42 Ca 0.18 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 3kcu h GLY 42 CO -0.01 0.33 0.29 -2.08 0.00 0.00 0.00 176.54 175.06 3kcu h VAL 43 N 0.77 1.25 -0.38 4.60 2.07 -0.86 -1.99 116.25 121.71 3kcu h VAL 43 Ca 0.21 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 3kcu h VAL 43 Cb -0.03 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 3kcu h VAL 43 CO -0.04 0.31 0.23 -0.26 0.02 0.00 0.00 177.57 177.83 3kcu h PHE 44 N 1.02 0.50 -0.09 1.57 0.04 -0.26 0.47 116.94 120.19 3kcu h PHE 44 Ca 0.24 -0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.88 3kcu h PHE 44 Cb 0.21 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 3kcu h PHE 44 CO 0.02 0.36 -0.53 0.82 -0.60 0.00 0.00 178.31 178.38 3kcu h ILE 45 N 0.50 1.35 -0.75 -0.55 1.08 -0.97 -1.45 117.51 116.72 3kcu h ILE 45 Ca 0.14 -1.80 -0.02 0.00 -0.39 0.00 0.00 64.86 62.79 3kcu h ILE 45 Cb -0.00 1.87 -0.03 0.00 -3.07 0.00 0.00 36.82 35.58 3kcu h ILE 45 CO -0.03 0.53 0.38 0.28 -0.69 0.00 0.00 178.15 178.63 3kcu h SER 46 N 0.20 0.97 -0.72 1.72 0.02 -1.04 -1.03 113.55 113.67 3kcu h SER 46 Ca 0.00 -0.12 0.05 0.00 -0.84 0.00 0.00 61.79 60.88 3kcu h SER 46 Cb 1.00 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 63.23 3kcu h SER 46 CO 0.08 0.82 0.43 0.40 -1.14 0.00 0.00 176.83 177.42 3kcu h ILE 47 N 1.06 1.02 -0.10 3.27 2.04 -0.45 -0.62 117.51 123.72 3kcu h ILE 47 Ca 0.26 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.87 3kcu h ILE 47 Cb 0.09 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.29 3kcu h ILE 47 CO -0.04 0.15 -0.07 0.00 0.00 0.00 0.00 178.15 178.19 3kcu h ALA 48 N 1.35 0.01 -0.47 1.87 0.00 -0.40 -0.94 119.26 120.69 3kcu h ALA 48 Ca 0.31 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.16 3kcu h ALA 48 Cb 0.14 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3kcu h ALA 48 CO -0.16 -0.53 -0.14 0.74 0.00 0.00 0.00 179.25 179.16 3kcu h PHE 49 N -0.08 0.99 -0.34 0.00 0.04 -0.78 0.07 116.94 116.84 3kcu h PHE 49 Ca 0.06 -0.20 0.03 0.00 2.80 0.00 0.00 57.97 60.66 3kcu h PHE 49 Cb 0.17 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.04 3kcu h PHE 49 CO -0.19 0.96 0.15 0.28 -0.60 0.00 0.00 178.31 178.91 3kcu h VAL 50 N 0.79 0.95 -0.80 -0.55 2.07 -0.94 0.24 116.25 118.01 3kcu h VAL 50 Ca 0.12 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.57 3kcu h VAL 50 Cb 0.67 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 3kcu h VAL 50 CO 0.05 0.06 0.51 0.15 0.02 0.00 0.00 177.57 178.36 3kcu h PHE 51 N 0.31 0.96 -0.40 1.57 3.57 -0.76 0.14 116.94 122.33 3kcu h PHE 51 Ca 0.15 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 3kcu h PHE 51 Cb 0.08 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 3kcu h PHE 51 CO -0.11 0.55 0.21 -0.92 -2.23 0.00 0.00 178.31 175.81 3kcu h TYR 52 N 1.00 0.56 -0.29 0.41 3.20 -0.27 -0.63 116.97 120.95 3kcu h TYR 52 Ca 0.32 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.16 3kcu h TYR 52 Cb 0.01 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 3kcu h TYR 52 CO -0.03 0.44 0.14 0.82 -1.64 0.00 0.00 178.16 177.89 3kcu h ILE 53 N 0.52 1.15 0.08 1.81 1.08 0.20 -1.55 117.51 120.80 3kcu h ILE 53 Ca 0.14 -0.42 0.02 0.00 -0.39 0.00 0.00 64.86 64.21 3kcu h ILE 53 Cb 0.07 0.90 -0.03 0.00 -3.07 0.00 0.00 36.82 34.69 3kcu h ILE 53 CO -0.02 0.15 -0.23 0.74 -0.69 0.00 0.00 178.15 178.10 3kcu h THR 54 N 0.33 0.48 -0.39 -0.27 2.02 -0.51 -1.03 112.91 113.55 3kcu h THR 54 Ca 0.10 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.24 3kcu h THR 54 Cb 0.11 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 3kcu h THR 54 CO -0.01 0.00 0.08 0.00 0.37 0.00 0.00 175.52 175.96 3kcu h ALA 55 N 0.40 1.41 -0.26 6.16 0.00 -0.96 -2.67 119.26 123.35 3kcu h ALA 55 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3kcu h ALA 55 Cb 0.44 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3kcu h ALA 55 CO -0.15 0.42 0.00 0.25 0.00 0.00 0.00 179.25 179.77 3kcu n THR 56 N -4.32 0.33 -2.26 0.00 -2.24 -0.60 -4.87 114.28 100.32 3kcu n THR 56 Ca 0.02 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 60.89 3kcu n THR 56 Cb 0.20 0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 68.98 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 -1.67 3.49 -0.98 4.28 2.01 -0.41 -2.91 115.64 119.44 3kcu s THR 57 Ca 0.34 1.11 0.00 0.00 0.31 0.00 0.00 61.69 63.45 3kcu s THR 57 Cb 0.19 -3.71 0.00 0.00 0.01 0.00 0.00 72.50 68.99 3kcu s THR 57 CO 0.27 0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.93 3kcu n GLY 58 N 3.07 1.09 1.24 4.40 0.00 -1.26 -4.91 105.19 108.82 3kcu n GLY 58 Ca 0.09 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.72 1.44 -0.01 2.61 -2.24 -1.15 -4.55 114.28 107.67 3kcu n THR 59 Ca -0.09 -0.70 0.06 0.00 -2.27 0.00 0.00 64.05 61.06 3kcu n THR 59 Cb 0.31 -0.48 0.46 0.00 -2.10 0.00 0.00 70.33 68.52 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 4.12 0.55 -1.35 3.38 0.00 -1.91 -1.66 103.07 106.21 3kcu h GLY 60 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3kcu h GLY 60 CO 0.29 0.17 0.00 2.41 0.00 0.00 0.00 176.54 179.41 3kcu n THR 61 N -4.48 0.33 -3.78 4.70 -1.04 -1.26 -4.90 114.28 103.84 3kcu n THR 61 Ca 0.05 -0.49 -0.33 0.00 -2.04 0.00 0.00 64.05 61.24 3kcu n THR 61 Cb 0.15 0.56 -0.05 0.00 -1.82 0.00 0.00 70.33 69.17 3kcu n THR 61 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 3kcu s MET 62 N -1.67 3.55 0.11 -2.82 0.00 -0.63 -5.03 119.30 112.81 3kcu s MET 62 Ca 0.34 -0.18 -0.34 0.00 0.00 0.00 0.00 55.69 55.51 3kcu s MET 62 Cb 0.19 -3.01 -0.13 0.00 0.00 0.00 0.00 34.83 31.87 3kcu s MET 62 CO 0.27 0.59 1.63 -2.30 0.00 0.00 0.00 175.02 175.22 3kcu n PRO 63 N 0.63 2.15 -0.34 4.11 -0.02 -1.26 -4.86 135.00 135.41 3kcu n PRO 63 Ca -0.07 0.78 -0.02 0.00 -2.02 0.00 0.00 63.50 62.16 3kcu n PRO 63 Cb 0.52 -2.56 0.03 0.00 -0.02 0.00 0.00 33.50 31.47 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 6.56 -1.05 -0.19 6.00 3.57 -1.94 -1.60 116.94 128.28 3kcu h PHE 64 Ca -0.46 0.10 -0.10 0.00 3.53 0.00 0.00 57.97 61.05 3kcu h PHE 64 Cb 1.26 0.59 -0.01 0.00 2.79 0.00 0.00 35.95 40.57 3kcu h PHE 64 CO 0.67 -0.40 -0.30 0.78 -2.23 0.00 0.00 178.31 176.83 3kcu h GLY 65 N -0.04 0.40 0.73 2.40 0.00 -1.96 -2.25 103.07 102.34 3kcu h GLY 65 Ca 0.32 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 3kcu h GLY 65 CO -0.91 0.31 -0.02 1.98 0.00 0.00 0.00 176.54 177.89 3kcu h MET 66 N 0.32 0.20 -0.30 4.80 4.05 -1.68 0.16 114.93 122.47 3kcu h MET 66 Ca 0.04 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 3kcu h MET 66 Cb 0.70 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.47 3kcu h MET 66 CO 0.05 0.50 0.20 0.00 0.23 0.00 0.00 176.91 177.89 3kcu h ALA 67 N 0.69 0.38 -0.48 0.39 0.00 -1.42 -1.96 119.26 116.87 3kcu h ALA 67 Ca 0.03 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3kcu h ALA 67 Cb 0.42 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3kcu h ALA 67 CO 0.01 -0.14 0.04 0.87 0.00 0.00 0.00 179.25 180.03 3kcu h LYS 68 N 0.40 0.76 -0.26 0.00 6.56 -1.38 -1.39 116.57 121.27 3kcu h LYS 68 Ca 0.11 -0.18 -0.03 0.00 -1.06 0.00 0.00 60.65 59.49 3kcu h LYS 68 Cb -0.03 -0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 31.52 3kcu h LYS 68 CO -0.02 0.75 0.04 1.25 -2.06 0.00 0.00 179.45 179.41 3kcu h LEU 69 N 0.72 0.41 -0.41 2.94 5.85 -0.65 -0.08 115.31 124.09 3kcu h LEU 69 Ca 0.15 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 3kcu h LEU 69 Cb 0.38 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3kcu h LEU 69 CO 0.01 0.56 0.20 0.58 -0.34 0.00 0.00 178.44 179.46 3kcu h VAL 70 N 0.24 1.17 -0.95 1.05 2.07 -1.12 0.09 116.25 118.81 3kcu h VAL 70 Ca 0.08 -0.48 0.06 0.00 0.82 0.00 0.00 66.70 67.18 3kcu h VAL 70 Cb 0.33 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 3kcu h VAL 70 CO 0.00 0.18 0.61 1.23 0.02 0.00 0.00 177.57 179.62 3kcu h GLY 71 N 0.53 1.43 1.00 2.17 0.00 -1.17 -1.26 103.07 105.77 3kcu h GLY 71 Ca 0.14 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 3kcu h GLY 71 CO -0.02 0.33 0.20 -1.33 0.00 0.00 0.00 176.54 175.72 3kcu h GLY 72 N 1.12 0.98 0.94 4.60 0.00 -0.36 0.06 103.07 110.42 3kcu h GLY 72 Ca 0.41 -0.57 0.02 0.00 0.00 0.00 0.00 47.33 47.19 3kcu h GLY 72 CO -0.16 0.53 0.41 -2.22 0.00 0.00 0.00 176.54 175.09 3kcu h ILE 73 N 0.84 1.12 -0.61 2.60 2.04 -0.55 -2.83 117.51 120.12 3kcu h ILE 73 Ca 0.19 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 3kcu h ILE 73 Cb 0.26 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 3kcu h ILE 73 CO -0.01 0.15 0.17 0.00 0.00 0.00 0.00 178.15 178.46 3kcu h PHE 75 N 0.88 0.00 0.00 0.00 3.57 -0.75 -1.67 116.94 118.97 3kcu h PHE 75 Ca 0.20 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 3kcu h PHE 75 Cb 0.32 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 3kcu h PHE 75 CO 0.02 0.00 -0.01 0.66 -2.23 0.00 0.00 178.31 176.76 3kcu h SER 76 N 0.00 0.00 -0.92 0.41 4.64 -1.28 -1.65 113.55 114.76 3kcu h SER 76 Ca 0.18 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.74 3kcu h SER 76 Cb 0.76 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.68 3kcu h SER 76 CO -0.00 0.01 0.04 0.25 -0.87 0.00 0.00 176.83 176.26 3kcu h LEU 77 N 0.00 -0.40 -0.80 5.97 6.46 -1.47 -0.76 115.31 124.32 3kcu h LEU 77 Ca -0.00 0.25 -0.05 0.00 -0.12 0.00 0.00 57.88 57.96 3kcu h LEU 77 Cb 0.04 0.43 -0.04 0.00 -0.73 0.00 0.00 40.66 40.36 3kcu h LEU 77 CO 0.00 -0.28 0.32 1.23 -0.62 0.00 0.00 178.44 179.08 3kcu h GLY 78 N 0.06 1.29 1.72 3.75 0.00 -1.49 -0.11 103.07 108.28 3kcu h GLY 78 Ca 0.54 -0.70 -0.23 0.00 0.00 0.00 0.00 47.33 46.94 3kcu h GLY 78 CO -0.83 0.66 -1.01 -2.00 0.00 0.00 0.00 176.54 173.37 3kcu h LEU 79 N 1.17 0.32 -0.44 3.11 5.85 -1.52 -1.56 115.31 122.24 3kcu h LEU 79 Ca 0.27 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3kcu h LEU 79 Cb 0.22 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 3kcu h LEU 79 CO -0.02 1.15 0.29 0.40 -0.34 0.00 0.00 178.44 179.92 3kcu h ILE 80 N 0.11 1.11 0.19 4.05 2.04 -0.94 -1.59 117.51 122.48 3kcu h ILE 80 Ca -0.07 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.59 3kcu h ILE 80 Cb 1.68 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 3kcu h ILE 80 CO 0.16 0.11 -0.30 -0.07 0.00 0.00 0.00 178.15 178.05 3kcu h LEU 81 N 0.60 -0.84 0.01 1.44 4.07 -0.96 -0.97 115.31 118.66 3kcu h LEU 81 Ca 0.16 0.09 0.03 0.00 0.08 0.00 0.00 57.88 58.24 3kcu h LEU 81 Cb -0.07 0.31 -0.05 0.00 1.08 0.00 0.00 40.66 41.92 3kcu h LEU 81 CO -0.03 -0.40 -0.45 0.00 -1.08 0.00 0.00 178.44 176.48 3kcu h VAL 83 N -0.61 0.67 -0.85 0.00 2.07 -1.29 0.47 116.25 116.72 3kcu h VAL 83 Ca 0.04 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 3kcu h VAL 83 Cb 0.68 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 3kcu h VAL 83 CO -0.32 0.05 0.42 0.58 0.02 0.00 0.00 177.57 178.32 3kcu h VAL 84 N -0.60 1.26 0.00 2.57 2.07 -1.14 -2.88 116.25 117.53 3kcu h VAL 84 Ca -0.05 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.77 3kcu h VAL 84 Cb 0.44 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 3kcu h VAL 84 CO 0.08 0.30 -0.42 0.00 0.02 0.00 0.00 177.57 177.55 3kcu n GLY 86 N 1.36 0.95 3.88 0.00 0.00 -0.22 -5.06 105.19 106.11 3kcu n GLY 86 Ca 0.04 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.12 2.71 -0.47 4.61 0.00 0.15 -5.00 121.76 121.65 3kcu s ALA 87 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 51.96 51.48 3kcu s ALA 87 Cb 0.00 -3.00 0.12 0.00 0.00 0.00 0.00 23.12 20.24 3kcu s ALA 87 CO 0.00 -1.45 0.24 0.34 0.00 0.00 0.00 175.76 174.90 3kcu s ASP 88 N -4.42 5.03 -0.35 0.00 -1.08 -1.05 -4.73 116.67 110.08 3kcu s ASP 88 Ca 0.60 -2.40 -0.15 0.00 -0.52 0.00 0.00 52.55 50.08 3kcu s ASP 88 Cb -0.11 -1.77 -0.01 0.00 -1.46 0.00 0.00 42.92 39.56 3kcu s ASP 88 CO 0.51 -0.43 0.34 -0.22 0.52 0.00 0.00 175.17 175.90 3kcu s LEU 89 N 0.59 4.49 -0.23 -1.34 2.96 -1.26 -4.14 118.68 119.74 3kcu s LEU 89 Ca 0.12 -0.30 -0.08 0.00 -0.22 0.00 0.00 54.13 53.66 3kcu s LEU 89 Cb -0.22 -2.30 -0.05 0.00 0.50 0.00 0.00 46.19 44.11 3kcu s LEU 89 CO -0.04 -0.34 0.64 0.33 -1.32 0.00 0.00 176.35 175.62 3kcu n PHE 90 N 5.34 0.14 -0.48 5.38 7.35 -1.26 -0.52 117.46 133.41 3kcu n PHE 90 Ca -0.10 0.10 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3kcu n PHE 90 Cb 0.49 -0.57 0.00 0.00 0.35 0.00 0.00 39.48 39.75 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 1.79 0.00 0.22 -2.13 -2.24 -1.26 -4.88 114.28 105.78 3kcu n THR 91 Ca 0.16 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.06 3kcu n THR 91 Cb 0.01 -0.07 0.73 0.00 -2.10 0.00 0.00 70.33 68.89 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 -0.50 3.42 4.64 -1.20 -2.28 113.55 117.62 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 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.31 3kcu n THR 93 N -4.27 0.96 -0.35 2.95 -2.24 -1.26 -4.37 114.28 105.70 3kcu n THR 93 Ca -0.00 -0.98 0.09 0.00 -2.27 0.00 0.00 64.05 60.89 3kcu n THR 93 Cb 0.20 0.54 0.27 0.00 -2.10 0.00 0.00 70.33 69.24 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 3.07 0.82 -0.90 2.28 3.04 -1.79 -0.40 116.25 122.38 3kcu h VAL 94 Ca 0.00 -0.30 -0.00 0.00 -1.01 0.00 0.00 66.70 65.39 3kcu h VAL 94 Cb 0.84 -0.13 -0.04 0.00 -2.01 0.00 0.00 31.29 29.95 3kcu h VAL 94 CO 0.00 0.16 0.55 -0.07 -1.01 0.00 0.00 177.57 177.20 3kcu h LEU 95 N 0.88 1.06 -0.15 3.16 3.38 -1.83 -2.55 115.31 119.27 3kcu h LEU 95 Ca 0.53 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.43 3kcu h LEU 95 Cb 0.66 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3kcu h LEU 95 CO -0.32 0.81 0.06 0.40 0.09 0.00 0.00 178.44 179.48 3kcu h ILE 96 N 1.23 1.15 -0.79 1.22 5.03 -1.44 -3.03 117.51 120.88 3kcu h ILE 96 Ca 0.32 -0.46 0.19 0.00 -0.12 0.00 0.00 64.86 64.79 3kcu h ILE 96 Cb -0.07 1.19 -0.13 0.00 -3.03 0.00 0.00 36.82 34.78 3kcu h ILE 96 CO -0.06 0.14 0.12 0.58 -0.68 0.00 0.00 178.15 178.25 3kcu h VAL 97 N 0.08 0.37 0.41 1.67 2.07 -0.99 0.50 116.25 120.36 3kcu h VAL 97 Ca 0.05 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 3kcu h VAL 97 Cb 0.17 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3kcu h VAL 97 CO -0.00 0.03 -0.27 0.58 0.02 0.00 0.00 177.57 177.93 3kcu h VAL 98 N 0.18 0.00 -0.13 2.57 2.07 -1.40 -1.87 116.25 117.67 3kcu h VAL 98 Ca 0.46 0.00 0.04 0.00 0.82 0.00 0.00 66.70 68.01 3kcu h VAL 98 Cb 0.85 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3kcu h VAL 98 CO -0.63 0.00 0.09 0.00 0.02 0.00 0.00 177.57 177.05 3kcu h ALA 99 N -1.48 2.11 -0.42 1.67 0.00 -1.32 -1.04 119.26 118.78 3kcu h ALA 99 Ca -0.05 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 3kcu h ALA 99 Cb 0.51 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3kcu h ALA 99 CO 0.04 -0.16 -0.31 0.87 0.00 0.00 0.00 179.25 179.70 3kcu h LYS 100 N 0.00 0.94 -0.16 0.00 1.57 -0.82 -2.15 116.57 115.96 3kcu h LYS 100 Ca 0.06 -0.46 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 3kcu h LYS 100 Cb 0.24 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3kcu h LYS 100 CO -0.00 1.12 0.00 0.00 -0.57 0.00 0.00 179.45 180.00 3kcu n ALA 101 N -2.53 2.44 -2.45 3.86 0.00 -0.45 -4.83 120.51 116.54 3kcu n ALA 101 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.34 3kcu n ALA 101 Cb 0.50 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.41 -3.11 -1.95 0.00 7.64 -0.81 -1.97 113.62 113.01 3kcu n SER 102 Ca 0.00 0.28 -0.02 0.00 1.01 0.00 0.00 58.87 60.14 3kcu n SER 102 Cb 0.04 -2.69 0.01 0.00 -1.01 0.00 0.00 64.21 60.56 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 -0.72 -0.05 2.50 0.23 0.00 -0.87 -5.02 105.19 101.27 3kcu n GLY 103 Ca -0.11 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 3kcu n GLY 103 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kcu s ARG 104 N -3.21 0.95 -0.05 1.61 0.52 -0.83 -5.13 118.95 112.81 3kcu s ARG 104 Ca 0.07 -1.81 -0.31 0.00 -0.52 0.00 0.00 55.73 53.17 3kcu s ARG 104 Cb -0.01 -1.03 0.11 0.00 0.52 0.00 0.00 34.95 34.55 3kcu s ARG 104 CO 0.20 -1.37 1.05 -1.50 0.02 0.00 0.00 175.30 173.70 3kcu s ILE 105 N 0.30 0.00 0.48 1.52 2.07 -1.26 -4.95 121.20 119.36 3kcu s ILE 105 Ca 0.32 -0.11 0.02 0.00 -1.41 0.00 0.00 60.65 59.47 3kcu s ILE 105 Cb 0.03 -1.23 -0.02 0.00 0.13 0.00 0.00 42.46 41.37 3kcu s ILE 105 CO -0.16 0.00 0.03 0.28 -1.91 0.00 0.00 174.94 173.19 3kcu s THR 106 N -2.83 1.07 0.05 4.00 -1.32 -1.26 -5.02 115.64 110.33 3kcu s THR 106 Ca 0.08 -2.00 -0.23 0.00 -1.21 0.00 0.00 61.69 58.33 3kcu s THR 106 Cb -0.00 -2.26 -0.11 0.00 -1.51 0.00 0.00 72.50 68.61 3kcu s THR 106 CO -0.06 0.00 1.36 -0.50 -2.21 0.00 0.00 174.62 173.22 3kcu h TRP 107 N 1.49 -0.92 0.00 9.09 4.06 -2.03 -2.08 115.95 125.56 3kcu h TRP 107 Ca -0.42 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.54 3kcu h TRP 107 Cb 1.30 0.36 0.00 0.00 -1.00 0.00 0.00 29.16 29.82 3kcu h TRP 107 CO 1.47 -0.45 0.00 0.41 -3.56 0.00 0.00 178.44 176.32 3kcu n GLY 108 N -1.37 -0.15 0.10 1.49 0.00 -1.26 -1.72 105.19 102.27 3kcu n GLY 108 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 3kcu n GLY 108 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kcu n GLN 109 N -1.14 0.61 0.00 1.61 6.02 -1.01 -4.51 117.38 118.95 3kcu n GLN 109 Ca 0.00 0.10 0.02 0.00 -0.01 0.00 0.00 57.00 57.11 3kcu n GLN 109 Cb 0.00 -1.39 0.13 0.00 1.02 0.00 0.00 30.24 30.01 3kcu n GLN 109 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3kcu n LEU 110 N -3.01 0.00 -2.79 1.08 4.77 -0.70 -3.00 117.00 113.34 3kcu n LEU 110 Ca -0.33 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.63 3kcu n LEU 110 Cb 0.88 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.04 3kcu n LEU 110 CO 0.21 0.00 0.10 0.00 -1.33 0.00 0.00 177.39 176.37 3kcu n ALA 111 N -0.68 2.68 0.02 -1.18 0.00 -1.25 -4.84 120.51 115.27 3kcu n ALA 111 Ca 0.03 -2.46 -0.18 0.00 0.00 0.00 0.00 53.44 50.84 3kcu n ALA 111 Cb 0.02 -0.88 -0.14 0.00 0.00 0.00 0.00 19.45 18.45 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 2.36 0.26 -0.01 0.00 3.64 -1.79 -3.32 116.57 117.71 3kcu h LYS 112 Ca -0.19 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 58.80 3kcu h LYS 112 Cb 1.27 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 3kcu h LYS 112 CO 0.14 1.16 -0.11 0.09 -2.27 0.00 0.00 179.45 178.46 3kcu n ASN 113 N -4.25 0.82 0.03 4.20 3.02 -1.26 -4.45 115.26 113.37 3kcu n ASN 113 Ca -0.12 -0.94 -0.10 0.00 -0.03 0.00 0.00 54.58 53.38 3kcu n ASN 113 Cb 0.72 0.01 -0.04 0.00 -0.61 0.00 0.00 39.78 39.85 3kcu n ASN 113 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 3kcu h TRP 114 N 1.13 -0.24 0.00 3.10 4.06 -1.89 1.20 115.95 123.31 3kcu h TRP 114 Ca 0.00 0.01 -0.05 0.00 2.06 0.00 0.00 58.89 60.91 3kcu h TRP 114 Cb 0.39 0.12 -0.01 0.00 -1.00 0.00 0.00 29.16 28.66 3kcu h TRP 114 CO 0.00 -0.15 -0.24 1.25 -3.56 0.00 0.00 178.44 175.74 3kcu h LEU 115 N -0.14 0.00 0.09 -4.49 5.85 -1.82 -0.45 115.31 114.35 3kcu h LEU 115 Ca 0.06 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 3kcu h LEU 115 Cb 0.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.25 3kcu h LEU 115 CO -0.14 0.24 -0.05 -1.13 -0.34 0.00 0.00 178.44 177.03 3kcu h ASN 116 N 0.00 -0.11 -0.45 1.25 -1.24 -1.53 -2.37 115.58 111.13 3kcu h ASN 116 Ca -0.00 -0.35 -0.08 0.00 0.71 0.00 0.00 56.30 56.58 3kcu h ASN 116 Cb 0.93 0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.99 3kcu h ASN 116 CO 0.03 0.31 -0.03 0.58 -1.29 0.00 0.00 177.43 177.03 3kcu h VAL 117 N -0.55 1.27 0.61 2.57 2.07 0.15 -1.74 116.25 120.62 3kcu h VAL 117 Ca -0.01 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.38 3kcu h VAL 117 Cb 0.45 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3kcu h VAL 117 CO 0.02 0.38 -0.43 0.22 0.02 0.00 0.00 177.57 177.78 3kcu h TYR 118 N 0.66 -1.17 -0.38 1.57 3.20 -1.13 0.68 116.97 120.40 3kcu h TYR 118 Ca 0.12 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 3kcu h TYR 118 Cb 0.55 0.43 -0.02 0.00 1.54 0.00 0.00 36.73 39.23 3kcu h TYR 118 CO 0.04 -0.62 -0.04 0.74 -1.64 0.00 0.00 178.16 176.64 3kcu h PHE 119 N -0.99 0.66 -0.20 -3.82 0.04 -1.50 0.88 116.94 112.01 3kcu h PHE 119 Ca -0.08 -0.09 0.02 0.00 2.80 0.00 0.00 57.97 60.63 3kcu h PHE 119 Cb 0.81 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.76 3kcu h PHE 119 CO -0.13 0.66 0.04 0.78 -0.60 0.00 0.00 178.31 179.06 3kcu h GLY 120 N 0.92 0.23 0.47 -1.45 0.00 -1.12 -0.85 103.07 101.26 3kcu h GLY 120 Ca 0.11 -0.02 0.10 0.00 0.00 0.00 0.00 47.33 47.52 3kcu h GLY 120 CO 0.02 0.00 0.43 3.43 0.00 0.00 0.00 176.54 180.42 3kcu h ASN 121 N 0.13 0.58 -0.65 0.19 -0.26 0.14 -1.93 115.58 113.78 3kcu h ASN 121 Ca 0.09 0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.89 3kcu h ASN 121 Cb 0.08 -0.05 -0.03 0.00 -1.06 0.00 0.00 38.32 37.26 3kcu h ASN 121 CO -0.11 0.32 0.41 0.25 -1.06 0.00 0.00 177.43 177.24 3kcu h LEU 122 N 0.71 0.76 -0.73 1.61 5.85 -0.11 -1.25 115.31 122.16 3kcu h LEU 122 Ca 0.39 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 59.08 3kcu h LEU 122 Cb 0.40 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 3kcu h LEU 122 CO -0.27 0.58 0.47 0.58 -0.34 0.00 0.00 178.44 179.46 3kcu h VAL 123 N 0.88 1.16 -0.07 1.05 2.07 -0.57 -0.38 116.25 120.38 3kcu h VAL 123 Ca 0.23 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.45 3kcu h VAL 123 Cb -0.06 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.80 3kcu h VAL 123 CO -0.05 0.17 -0.07 1.23 0.02 0.00 0.00 177.57 178.88 3kcu h GLY 124 N 0.96 -0.00 0.71 2.17 0.00 -0.68 0.04 103.07 106.26 3kcu h GLY 124 Ca 0.27 0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.68 3kcu h GLY 124 CO -0.07 -0.08 -0.30 0.00 0.00 0.00 0.00 176.54 176.09 3kcu h ALA 125 N 0.98 -0.66 -0.71 3.60 0.00 -0.84 -2.23 119.26 119.40 3kcu h ALA 125 Ca 0.05 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.95 3kcu h ALA 125 Cb 0.16 0.42 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 3kcu h ALA 125 CO -0.12 -0.90 0.36 -0.07 0.00 0.00 0.00 179.25 178.51 3kcu h LEU 126 N -0.66 0.47 -0.65 0.00 3.38 -0.94 0.57 115.31 117.49 3kcu h LEU 126 Ca -0.02 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.05 3kcu h LEU 126 Cb 0.59 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 3kcu h LEU 126 CO -0.04 0.27 0.37 -0.07 0.09 0.00 0.00 178.44 179.07 3kcu h LEU 127 N 0.61 0.57 -0.81 1.67 3.38 -0.81 -1.39 115.31 118.53 3kcu h LEU 127 Ca 0.35 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.23 3kcu h LEU 127 Cb 0.36 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3kcu h LEU 127 CO -0.26 0.38 -0.52 0.15 0.09 0.00 0.00 178.44 178.28 3kcu h PHE 128 N 0.70 0.00 0.46 1.13 3.57 -0.65 -1.69 116.94 120.46 3kcu h PHE 128 Ca 0.28 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 3kcu h PHE 128 Cb 0.13 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.87 3kcu h PHE 128 CO -0.07 0.52 -0.23 0.28 -2.23 0.00 0.00 178.31 176.58 3kcu h VAL 129 N 0.00 0.53 -0.28 1.41 2.07 -0.23 0.99 116.25 120.75 3kcu h VAL 129 Ca -0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.58 3kcu h VAL 129 Cb 1.02 0.53 -0.07 0.00 -1.52 0.00 0.00 31.29 31.25 3kcu h VAL 129 CO 0.07 0.00 -0.21 0.25 0.02 0.00 0.00 177.57 177.70 3kcu h LEU 130 N -0.63 -0.69 -0.38 2.57 5.85 -1.02 0.97 115.31 121.98 3kcu h LEU 130 Ca -0.06 0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.83 3kcu h LEU 130 Cb 0.49 0.34 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 3kcu h LEU 130 CO 0.10 -0.25 0.17 0.25 -0.34 0.00 0.00 178.44 178.37 3kcu h LEU 131 N -0.20 0.23 -0.93 2.25 5.85 -1.24 -0.09 115.31 121.18 3kcu h LEU 131 Ca 0.15 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 3kcu h LEU 131 Cb 0.42 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 3kcu h LEU 131 CO -0.39 0.17 0.24 0.24 -0.34 0.00 0.00 178.44 178.36 3kcu h MET 132 N 0.35 1.02 -0.64 1.25 2.86 -0.25 -1.74 114.93 117.76 3kcu h MET 132 Ca 0.17 -0.19 -0.07 0.00 -2.06 0.00 0.00 59.70 57.55 3kcu h MET 132 Cb 0.10 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 3kcu h MET 132 CO -0.14 0.85 0.14 2.35 1.06 0.00 0.00 176.91 181.18 3kcu h TRP 133 N 0.99 1.09 0.00 -0.22 2.91 -0.37 -2.78 115.95 117.57 3kcu h TRP 133 Ca 0.22 -0.14 -0.01 0.00 1.13 0.00 0.00 58.89 60.10 3kcu h TRP 133 Cb 0.24 -0.31 -0.00 0.00 -0.51 0.00 0.00 29.16 28.58 3kcu h TRP 133 CO 0.02 0.91 -0.04 -0.07 -1.03 0.00 0.00 178.44 178.23 3kcu h LEU 134 N 0.96 0.00 -0.13 0.65 3.38 -0.59 -2.83 115.31 116.76 3kcu h LEU 134 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3kcu h LEU 134 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3kcu h LEU 134 CO 0.00 0.04 0.00 -1.54 0.09 0.00 0.00 178.44 177.03 3kcu n SER 135 N -3.17 0.55 -0.25 -0.43 3.41 -0.70 -4.89 113.62 108.14 3kcu n SER 135 Ca -0.00 0.57 -0.03 0.00 -0.26 0.00 0.00 58.87 59.14 3kcu n SER 135 Cb 0.28 -0.71 -0.01 0.00 -0.26 0.00 0.00 64.21 63.50 3kcu n SER 135 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kcu n GLY 136 N 1.02 0.57 0.33 5.00 0.00 -1.07 -4.91 105.19 106.13 3kcu n GLY 136 Ca 0.05 -0.23 0.17 0.00 0.00 0.00 0.00 46.02 46.01 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 0.37 0.00 0.00 1.61 4.57 -1.82 -2.55 114.58 116.76 3kcu h GLU 137 Ca -0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 3kcu h GLU 137 Cb 0.48 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 3kcu h GLU 137 CO 0.10 0.00 0.00 2.48 -1.18 0.00 0.00 179.01 180.41 3kcu n TYR 138 N -3.67 0.00 1.25 0.92 4.11 -1.26 -1.33 117.16 117.17 3kcu n TYR 138 Ca -0.01 0.00 0.13 0.00 -0.00 0.00 0.00 57.90 58.02 3kcu n TYR 138 Cb 0.23 -0.47 0.33 0.00 -0.00 0.00 0.00 39.34 39.42 3kcu n TYR 138 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.86 175.53 3kcu n MET 139 N -1.47 1.24 -1.65 -3.48 2.81 -0.96 -1.95 117.12 111.66 3kcu n MET 139 Ca 0.03 -0.82 -0.42 0.00 -1.81 0.00 0.00 57.70 54.68 3kcu n MET 139 Cb 0.14 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.17 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 -0.16 2.28 -3.64 2.03 -1.04 -0.45 -1.29 114.28 112.01 3kcu n THR 140 Ca 0.14 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.05 61.37 3kcu n THR 140 Cb 0.39 -1.34 0.04 0.00 -1.82 0.00 0.00 70.33 67.60 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 -0.09 -2.43 -4.13 2.41 0.00 -1.26 -1.75 120.51 113.26 3kcu n ALA 141 Ca 0.07 -0.18 -0.33 0.00 0.00 0.00 0.00 53.44 53.01 3kcu n ALA 141 Cb 0.37 -3.90 -0.02 0.00 0.00 0.00 0.00 19.45 15.89 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 -2.83 -2.46 0.00 0.00 5.15 -1.15 -0.40 115.26 113.58 3kcu n ASN 142 Ca -0.13 -1.00 0.00 0.00 -0.60 0.00 0.00 54.58 52.85 3kcu n ASN 142 Cb 0.61 -2.88 0.00 0.00 -0.53 0.00 0.00 39.78 36.98 3kcu n ASN 142 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kcu n GLY 143 N -1.62 0.93 0.18 8.20 0.00 -0.41 -4.29 105.19 108.18 3kcu n GLY 143 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 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 2.78 0.14 -0.01 1.61 1.08 -0.19 -1.47 115.11 119.04 3kcu h GLN 144 Ca 0.00 -0.07 0.02 0.00 -1.45 0.00 0.00 58.65 57.15 3kcu h GLN 144 Cb 0.00 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.40 3kcu h GLN 144 CO 0.00 0.56 -0.12 2.35 -0.95 0.00 0.00 178.83 180.67 3kcu h TRP 145 N 0.12 -0.30 -0.18 2.96 7.01 -1.54 -0.72 115.95 123.29 3kcu h TRP 145 Ca 0.01 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.02 3kcu h TRP 145 Cb 0.83 0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 28.02 3kcu h TRP 145 CO 0.01 -0.18 0.12 0.78 -2.79 0.00 0.00 178.44 176.38 3kcu h GLY 146 N -0.19 0.25 0.85 2.65 0.00 -1.12 -2.60 103.07 102.91 3kcu h GLY 146 Ca 0.05 -0.09 0.08 0.00 0.00 0.00 0.00 47.33 47.36 3kcu h GLY 146 CO -0.13 0.09 0.55 -2.00 0.00 0.00 0.00 176.54 175.05 3kcu h LEU 147 N 0.24 0.78 -0.82 3.11 5.85 -1.12 -0.80 115.31 122.55 3kcu h LEU 147 Ca 0.06 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.80 3kcu h LEU 147 Cb -0.02 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 3kcu h LEU 147 CO -0.01 0.48 0.54 -1.13 -0.34 0.00 0.00 178.44 177.98 3kcu h ASN 148 N 0.88 0.95 -0.19 1.25 -1.24 -0.76 -0.73 115.58 115.74 3kcu h ASN 148 Ca 0.37 -0.03 -0.03 0.00 0.71 0.00 0.00 56.30 57.32 3kcu h ASN 148 Cb 0.31 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.12 3kcu h ASN 148 CO -0.14 0.70 -0.00 0.58 -1.29 0.00 0.00 177.43 177.27 3kcu h VAL 149 N 1.12 1.26 -0.05 2.57 2.07 -0.88 -0.25 116.25 122.09 3kcu h VAL 149 Ca 0.30 -0.87 0.03 0.00 0.82 0.00 0.00 66.70 66.98 3kcu h VAL 149 Cb -0.12 1.45 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 3kcu h VAL 149 CO -0.06 0.26 -0.46 -0.07 0.02 0.00 0.00 177.57 177.26 3kcu h LEU 150 N 0.10 -1.41 -0.85 2.57 3.38 -0.80 0.39 115.31 118.68 3kcu h LEU 150 Ca 0.05 0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.20 3kcu h LEU 150 Cb 0.40 0.55 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 3kcu h LEU 150 CO 0.01 -0.47 0.55 1.56 0.09 0.00 0.00 178.44 180.19 3kcu h GLN 151 N -0.57 1.12 -0.28 1.13 4.20 -1.13 0.34 115.11 119.92 3kcu h GLN 151 Ca 0.05 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 3kcu h GLN 151 Cb 0.67 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 3kcu h GLN 151 CO -0.36 0.75 -0.00 1.15 -0.67 0.00 0.00 178.83 179.69 3kcu h THR 152 N 1.15 1.26 -0.34 -0.54 2.02 -0.55 -1.50 112.91 114.41 3kcu h THR 152 Ca 0.31 -0.94 -0.01 0.00 0.77 0.00 0.00 66.41 66.54 3kcu h THR 152 Cb -0.12 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 3kcu h THR 152 CO -0.07 0.30 0.15 0.00 0.37 0.00 0.00 175.52 176.28 3kcu h ALA 153 N 0.83 0.44 -0.84 6.16 0.00 -0.02 -3.10 119.26 122.72 3kcu h ALA 153 Ca 0.08 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3kcu h ALA 153 Cb 0.43 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 3kcu h ALA 153 CO 0.02 0.01 0.52 0.22 0.00 0.00 0.00 179.25 180.02 3kcu h ASP 154 N 0.40 0.84 -0.64 0.00 3.58 -0.19 -1.93 116.42 118.48 3kcu h ASP 154 Ca 0.11 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 3kcu h ASP 154 Cb 0.14 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 40.99 3kcu h ASP 154 CO -0.01 0.55 0.38 -0.74 -2.88 0.00 0.00 179.24 176.54 3kcu h HIS 155 N 0.98 0.86 0.00 0.28 2.76 -1.21 -2.83 115.15 115.99 3kcu h HIS 155 Ca 0.35 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.52 3kcu h HIS 155 Cb 0.11 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 28.79 3kcu h HIS 155 CO -0.03 0.59 0.00 1.63 -1.30 0.00 0.00 177.93 178.81 3kcu n LYS 156 N -4.39 0.27 -0.42 5.26 5.02 -0.73 -2.95 118.16 120.21 3kcu n LYS 156 Ca 0.06 0.08 0.07 0.00 -2.02 0.00 0.00 58.31 56.51 3kcu n LYS 156 Cb 0.08 -1.50 0.22 0.00 -0.02 0.00 0.00 35.03 33.81 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 -1.32 2.24 -1.54 -0.18 0.24 -1.07 -4.54 118.33 112.15 3kcu n VAL 157 Ca 0.10 -2.14 0.07 0.00 -2.04 0.00 0.00 64.34 60.33 3kcu n VAL 157 Cb 0.19 -0.26 0.19 0.00 -1.47 0.00 0.00 33.84 32.49 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 -0.84 0.00 -3.89 6.34 8.25 -1.15 -4.95 115.22 118.98 3kcu n HIS 158 Ca 0.22 -1.39 -0.33 0.00 -0.26 0.00 0.00 57.72 55.96 3kcu n HIS 158 Cb 0.85 -0.23 -0.05 0.00 1.12 0.00 0.00 29.99 31.69 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 -3.08 3.55 0.53 4.41 3.76 -1.26 -5.09 115.29 118.11 3kcu s HIS 159 Ca 0.37 0.38 -0.22 0.00 -0.15 0.00 0.00 55.06 55.44 3kcu s HIS 159 Cb 0.35 -1.85 -0.05 0.00 1.11 0.00 0.00 32.58 32.15 3kcu s HIS 159 CO -0.06 0.64 1.32 0.99 -0.85 0.00 0.00 174.74 176.79 3kcu s THR 160 N -1.32 2.28 0.19 1.30 2.01 -1.26 -4.83 115.64 114.01 3kcu s THR 160 Ca 0.27 0.21 -0.15 0.00 0.31 0.00 0.00 61.69 62.33 3kcu s THR 160 Cb -0.13 -3.11 0.18 0.00 0.01 0.00 0.00 72.50 69.46 3kcu s THR 160 CO 0.18 -0.00 1.63 0.15 -0.69 0.00 0.00 174.62 175.89 3kcu h PHE 161 N 1.58 -0.38 0.31 4.92 3.57 -1.97 0.29 116.94 125.27 3kcu h PHE 161 Ca -0.51 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.04 3kcu h PHE 161 Cb 1.29 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 40.26 3kcu h PHE 161 CO 0.47 -0.26 -0.42 0.82 -2.23 0.00 0.00 178.31 176.69 3kcu h ILE 162 N -0.03 0.00 0.00 1.41 2.04 -1.98 -1.18 117.51 117.76 3kcu h ILE 162 Ca 0.26 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.12 3kcu h ILE 162 Cb 0.44 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.51 3kcu h ILE 162 CO -0.58 0.00 -0.02 1.05 0.00 0.00 0.00 178.15 178.60 3kcu h GLU 163 N -0.76 0.00 -0.05 2.37 4.11 -1.83 -0.33 114.58 118.09 3kcu h GLU 163 Ca -0.04 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.15 3kcu h GLU 163 Cb 0.69 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.95 3kcu h GLU 163 CO -0.11 0.02 -0.94 0.00 0.07 0.00 0.00 179.01 178.05 3kcu h ALA 164 N 1.98 0.24 -0.72 1.06 0.00 -0.42 0.27 119.26 121.67 3kcu h ALA 164 Ca -0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 54.91 54.21 3kcu h ALA 164 Cb 0.07 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3kcu h ALA 164 CO 0.00 0.71 0.30 0.28 0.00 0.00 0.00 179.25 180.54 3kcu h VAL 165 N 0.42 1.24 -0.10 0.00 2.07 -0.01 0.19 116.25 120.07 3kcu h VAL 165 Ca -0.10 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 3kcu h VAL 165 Cb 1.58 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 3kcu h VAL 165 CO 0.18 0.30 -0.02 0.00 0.02 0.00 0.00 177.57 178.06 3kcu h LEU 167 N -0.14 0.60 0.08 0.00 3.38 -0.90 -0.56 115.31 117.78 3kcu h LEU 167 Ca 0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kcu h LEU 167 Cb 0.41 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3kcu h LEU 167 CO 0.01 0.41 -0.04 1.23 0.09 0.00 0.00 178.44 180.14 3kcu h GLY 168 N 0.70 -0.11 1.24 0.83 0.00 -0.15 -0.60 103.07 104.99 3kcu h GLY 168 Ca 0.25 0.04 -0.07 0.00 0.00 0.00 0.00 47.33 47.55 3kcu h GLY 168 CO -0.07 -0.04 0.10 1.19 0.00 0.00 0.00 176.54 177.72 3kcu h ILE 169 N -0.19 1.25 -0.65 2.60 2.10 0.07 -2.35 117.51 120.33 3kcu h ILE 169 Ca -0.01 -0.95 0.00 0.00 1.08 0.00 0.00 64.86 64.98 3kcu h ILE 169 Cb 0.16 0.70 -0.03 0.00 -1.09 0.00 0.00 36.82 36.55 3kcu h ILE 169 CO 0.02 0.35 0.41 -0.07 -1.08 0.00 0.00 178.15 177.77 3kcu h LEU 170 N 0.88 0.76 -0.30 2.19 3.38 -0.99 -0.35 115.31 120.89 3kcu h LEU 170 Ca 0.18 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3kcu h LEU 170 Cb 0.38 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3kcu h LEU 170 CO 0.01 0.58 0.09 0.00 0.09 0.00 0.00 178.44 179.21 3kcu h ALA 171 N 1.21 0.39 -0.01 1.53 0.00 -0.91 -2.77 119.26 118.70 3kcu h ALA 171 Ca 0.23 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 3kcu h ALA 171 Cb -0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3kcu h ALA 171 CO -0.05 0.04 -0.70 -0.97 0.00 0.00 0.00 179.25 177.57 3kcu h ASN 172 N 0.32 0.10 -0.31 0.00 -1.24 -1.29 -1.61 115.58 111.55 3kcu h ASN 172 Ca 0.10 -0.06 0.07 0.00 0.71 0.00 0.00 56.30 57.11 3kcu h ASN 172 Cb 0.26 -0.03 -0.08 0.00 0.73 0.00 0.00 38.32 39.21 3kcu h ASN 172 CO -0.00 0.76 -0.22 -0.07 -1.29 0.00 0.00 177.43 176.62 3kcu h LEU 173 N 0.05 -0.71 -0.62 0.34 3.38 -1.02 -0.11 115.31 116.62 3kcu h LEU 173 Ca -0.01 0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 3kcu h LEU 173 Cb 1.24 0.35 -0.03 0.00 0.09 0.00 0.00 40.66 42.32 3kcu h LEU 173 CO 0.10 -0.25 0.18 0.24 0.09 0.00 0.00 178.44 178.80 3kcu h MET 174 N -0.19 0.97 0.14 1.13 2.86 -1.18 -1.31 114.93 117.35 3kcu h MET 174 Ca 0.16 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3kcu h MET 174 Cb 0.43 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.96 3kcu h MET 174 CO -0.42 0.87 -0.07 0.28 1.06 0.00 0.00 176.91 178.63 3kcu h VAL 175 N 0.90 0.98 -0.51 -2.22 2.07 -1.06 -1.14 116.25 115.26 3kcu h VAL 175 Ca 0.20 -0.48 0.04 0.00 0.82 0.00 0.00 66.70 67.27 3kcu h VAL 175 Cb 0.31 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 3kcu h VAL 175 CO -0.00 0.12 0.27 0.00 0.02 0.00 0.00 177.57 177.97 3kcu h LEU 177 N 0.53 0.63 -0.11 0.00 3.38 -1.22 0.13 115.31 118.65 3kcu h LEU 177 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3kcu h LEU 177 Cb 0.11 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3kcu h LEU 177 CO -0.14 0.44 0.06 0.00 0.09 0.00 0.00 178.44 178.89 3kcu h ALA 178 N 1.27 0.13 -0.56 1.53 0.00 -0.48 -0.77 119.26 120.38 3kcu h ALA 178 Ca 0.25 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3kcu h ALA 178 Cb 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3kcu h ALA 178 CO -0.10 -0.39 0.20 0.28 0.00 0.00 0.00 179.25 179.25 3kcu h VAL 179 N 0.13 1.23 -0.78 0.00 2.07 -0.80 -1.11 116.25 116.99 3kcu h VAL 179 Ca 0.04 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 66.84 3kcu h VAL 179 Cb -0.00 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 3kcu h VAL 179 CO -0.02 0.28 0.51 -0.25 0.02 0.00 0.00 177.57 178.11 3kcu h TRP 180 N 0.77 0.95 -0.52 1.57 2.91 -0.55 -2.43 115.95 118.66 3kcu h TRP 180 Ca 0.18 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 60.17 3kcu h TRP 180 Cb 0.24 -0.32 -0.02 0.00 -0.51 0.00 0.00 29.16 28.55 3kcu h TRP 180 CO 0.01 0.57 0.10 0.52 -1.03 0.00 0.00 178.44 178.61 3kcu h MET 181 N 1.01 0.85 -0.51 2.65 2.86 -0.79 -2.98 114.93 118.01 3kcu h MET 181 Ca 0.30 -0.22 0.10 0.00 -2.06 0.00 0.00 59.70 57.82 3kcu h MET 181 Cb -0.04 -0.10 -0.08 0.00 0.06 0.00 0.00 31.60 31.44 3kcu h MET 181 CO -0.09 0.83 0.05 1.03 1.06 0.00 0.00 176.91 179.78 3kcu h SER 182 N 0.74 -0.12 0.02 1.22 0.87 -0.94 -1.76 113.55 113.57 3kcu h SER 182 Ca 0.16 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 3kcu h SER 182 Cb 0.38 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 3kcu h SER 182 CO 0.01 -0.03 0.00 -1.22 -0.53 0.00 0.00 176.83 175.05 3kcu n TYR 183 N -5.18 0.20 1.11 2.24 0.53 -0.94 -0.34 117.16 114.78 3kcu n TYR 183 Ca 0.06 0.11 0.12 0.00 -1.02 0.00 0.00 57.90 57.17 3kcu n TYR 183 Cb 0.27 -0.67 0.17 0.00 -1.03 0.00 0.00 39.34 38.08 3kcu n TYR 183 CO 0.00 0.00 0.00 -1.13 -1.02 0.00 0.00 176.86 174.71 3kcu n SER 184 N -1.71 2.29 -4.80 7.72 3.41 -0.66 -4.95 113.62 114.92 3kcu n SER 184 Ca -0.00 -1.68 -0.33 0.00 -0.26 0.00 0.00 58.87 56.60 3kcu n SER 184 Cb 0.02 0.14 0.01 0.00 -0.26 0.00 0.00 64.21 64.11 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 -2.18 2.17 -0.11 5.00 0.00 0.54 -5.02 107.32 107.73 3kcu s GLY 185 Ca 0.27 0.42 -0.12 0.00 0.00 0.00 0.00 44.72 45.29 3kcu s GLY 185 CO 0.40 0.74 -0.22 0.54 0.00 0.00 0.00 173.10 174.56 3kcu n ARG 186 N -1.90 0.34 -1.59 2.90 5.12 -1.26 -4.85 116.66 115.42 3kcu n ARG 186 Ca 0.09 0.13 -0.29 0.00 -1.93 0.00 0.00 57.85 55.85 3kcu n ARG 186 Cb 0.53 -1.08 0.12 0.00 -1.16 0.00 0.00 32.46 30.87 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 -5.41 3.84 0.17 0.55 1.04 -1.26 -4.88 113.70 107.75 3kcu s SER 187 Ca -0.19 1.01 -0.15 0.00 0.48 0.00 0.00 55.95 57.11 3kcu s SER 187 Cb 0.03 -1.61 0.05 0.00 0.10 0.00 0.00 66.02 64.59 3kcu s SER 187 CO 0.28 -2.35 1.83 0.25 0.98 0.00 0.00 173.24 174.23 3kcu h LEU 188 N -1.36 0.58 -0.46 2.42 5.85 -1.99 -2.29 115.31 118.05 3kcu h LEU 188 Ca -0.49 -0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.30 3kcu h LEU 188 Cb 1.32 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 42.13 3kcu h LEU 188 CO 0.62 0.42 -0.02 0.24 -0.34 0.00 0.00 178.44 179.36 3kcu h MET 189 N 0.68 0.09 0.18 1.25 2.86 -1.99 -1.55 114.93 116.44 3kcu h MET 189 Ca 0.18 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.83 3kcu h MET 189 Cb -0.07 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.53 3kcu h MET 189 CO -0.04 0.06 -0.42 -0.44 1.06 0.00 0.00 176.91 177.13 3kcu h ASP 190 N 0.09 -1.22 -0.23 1.22 3.32 -1.85 -1.01 116.42 116.74 3kcu h ASP 190 Ca 0.23 0.13 -0.08 0.00 0.02 0.00 0.00 57.03 57.32 3kcu h ASP 190 Cb 0.34 0.45 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 3kcu h ASP 190 CO -0.40 -0.51 -0.12 0.11 -1.72 0.00 0.00 179.24 176.60 3kcu h LYS 191 N -0.70 0.63 0.01 3.56 1.57 -1.12 -2.96 116.57 117.55 3kcu h LYS 191 Ca 0.01 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3kcu h LYS 191 Cb 0.70 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.95 3kcu h LYS 191 CO -0.21 0.73 -0.00 0.00 -0.57 0.00 0.00 179.45 179.40 3kcu h ALA 192 N 1.30 -0.01 -0.00 3.86 0.00 -1.22 -3.40 119.26 119.78 3kcu h ALA 192 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kcu h ALA 192 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3kcu h ALA 192 CO 0.03 -0.01 -0.01 1.19 0.00 0.00 0.00 179.25 180.46 3kcu n PHE 193 N -4.78 0.00 0.45 0.00 3.72 -0.39 -2.04 117.46 114.42 3kcu n PHE 193 Ca -0.00 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.53 3kcu n PHE 193 Cb 0.02 -0.35 0.43 0.00 -0.94 0.00 0.00 39.48 38.63 3kcu n PHE 193 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 3kcu h ILE 194 N 0.02 0.00 0.00 4.37 6.09 -1.69 -3.19 117.51 123.10 3kcu h ILE 194 Ca 0.00 -0.49 0.00 0.00 -1.37 0.00 0.00 64.86 63.00 3kcu h ILE 194 Cb 0.36 1.42 0.00 0.00 0.47 0.00 0.00 36.82 39.07 3kcu h ILE 194 CO 0.00 0.00 -0.82 0.23 -3.07 0.00 0.00 178.15 174.49 3kcu n MET 195 N -2.50 0.20 0.32 2.19 2.81 -0.86 -4.43 117.12 114.86 3kcu n MET 195 Ca 0.04 0.02 -0.17 0.00 -1.81 0.00 0.00 57.70 55.77 3kcu n MET 195 Cb 0.37 -1.59 -0.09 0.00 -0.71 0.00 0.00 33.22 31.21 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 0.41 0.22 2.03 2.07 -1.66 -2.13 116.25 117.19 3kcu h VAL 196 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3kcu h VAL 196 Cb 0.66 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3kcu h VAL 196 CO 0.00 0.00 -0.14 -0.07 0.02 0.00 0.00 177.57 177.38 3kcu h LEU 197 N -0.79 -0.36 -0.84 2.57 4.07 -1.80 0.16 115.31 118.33 3kcu h LEU 197 Ca -0.08 0.02 -0.08 0.00 0.08 0.00 0.00 57.88 57.83 3kcu h LEU 197 Cb 0.61 0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.44 3kcu h LEU 197 CO 0.12 -0.23 -0.01 1.55 -1.08 0.00 0.00 178.44 178.79 3kcu h PRO 198 N -0.36 0.86 -0.10 1.13 0.13 -1.79 0.77 132.00 132.64 3kcu h PRO 198 Ca -0.02 -0.25 -0.02 0.00 -0.87 0.00 0.00 66.00 64.85 3kcu h PRO 198 Cb 0.30 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.33 3kcu h PRO 198 CO 0.02 0.86 -0.02 0.28 -0.23 0.00 0.00 178.00 178.91 3kcu h VAL 199 N 0.79 1.28 0.00 1.56 2.07 -1.32 -2.82 116.25 117.82 3kcu h VAL 199 Ca 0.15 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 3kcu h VAL 199 Cb 0.49 1.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 3kcu h VAL 199 CO 0.02 0.26 -0.12 0.00 0.02 0.00 0.00 177.57 177.75 3kcu h ALA 200 N 0.69 1.78 -0.07 1.67 0.00 -0.37 -2.00 119.26 120.96 3kcu h ALA 200 Ca 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3kcu h ALA 200 Cb 0.41 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3kcu h ALA 200 CO 0.01 0.15 0.01 1.98 0.00 0.00 0.00 179.25 181.40 3kcu h MET 201 N 0.00 0.11 -0.28 0.00 -1.53 -0.77 -0.24 114.93 112.22 3kcu h MET 201 Ca -0.00 -0.03 -0.11 0.00 -3.44 0.00 0.00 59.70 56.12 3kcu h MET 201 Cb 0.21 -0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.24 3kcu h MET 201 CO 0.02 0.32 -0.27 0.27 0.14 0.00 0.00 176.91 177.39 3kcu h PHE 202 N -0.11 0.63 -0.02 1.39 -5.15 -1.14 -2.30 116.94 110.24 3kcu h PHE 202 Ca 0.02 -0.14 -0.14 0.00 -0.20 0.00 0.00 57.97 57.51 3kcu h PHE 202 Cb 0.26 -0.15 0.01 0.00 0.22 0.00 0.00 35.95 36.29 3kcu h PHE 202 CO 0.01 0.77 -0.53 0.28 -2.00 0.00 0.00 178.31 176.84 3kcu h VAL 203 N 0.48 1.44 -0.48 0.88 2.07 -1.37 -0.74 116.25 118.53 3kcu h VAL 203 Ca 0.07 -2.01 -0.02 0.00 0.82 0.00 0.00 66.70 65.55 3kcu h VAL 203 Cb 0.72 2.56 -0.02 0.00 -1.52 0.00 0.00 31.29 33.03 3kcu h VAL 203 CO 0.06 0.58 0.20 0.00 0.02 0.00 0.00 177.57 178.43 3kcu h ALA 204 N 0.33 1.46 -0.00 1.67 0.00 -1.05 -2.03 119.26 119.64 3kcu h ALA 204 Ca -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3kcu h ALA 204 Cb 1.24 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3kcu h ALA 204 CO 0.11 0.42 -0.00 0.43 0.00 0.00 0.00 179.25 180.20 3kcu n SER 205 N -4.37 0.22 -1.69 0.00 7.64 -0.87 -4.84 113.62 109.72 3kcu n SER 205 Ca 0.04 -1.01 -0.14 0.00 1.01 0.00 0.00 58.87 58.77 3kcu n SER 205 Cb 0.14 -0.02 -0.00 0.00 -1.01 0.00 0.00 64.21 63.32 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 1.05 -0.20 3.69 0.23 0.00 -0.76 -5.00 105.19 104.19 3kcu n GLY 206 Ca 0.22 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.75 2.18 -0.25 1.61 0.08 -0.30 -5.02 117.98 113.53 3kcu s PHE 207 Ca 0.03 1.05 -0.03 0.00 0.12 0.00 0.00 56.93 58.10 3kcu s PHE 207 Cb -0.01 -3.24 0.02 0.00 -0.57 0.00 0.00 43.02 39.21 3kcu s PHE 207 CO 0.04 -2.73 -0.03 -1.21 -0.10 0.00 0.00 175.22 171.18 3kcu s GLU 208 N -4.98 2.95 -0.26 0.44 0.41 -0.58 -4.84 118.70 111.84 3kcu s GLU 208 Ca 0.65 -0.91 -0.05 0.00 -0.41 0.00 0.00 54.97 54.25 3kcu s GLU 208 Cb -0.18 -3.05 0.00 0.00 -1.78 0.00 0.00 34.13 29.12 3kcu s GLU 208 CO 0.57 -0.38 0.02 -1.58 -0.49 0.00 0.00 175.26 173.40 3kcu s HIS 209 N 1.38 3.08 0.16 1.61 5.65 -1.26 -3.93 115.29 121.97 3kcu s HIS 209 Ca 0.01 -1.00 -0.18 0.00 0.25 0.00 0.00 55.06 54.15 3kcu s HIS 209 Cb -0.16 -2.18 0.08 0.00 -1.18 0.00 0.00 32.58 29.13 3kcu s HIS 209 CO -0.03 -0.57 1.67 0.66 -0.65 0.00 0.00 174.74 175.82 3kcu h SER 210 N 8.16 -0.36 -0.26 9.88 4.64 -1.93 -1.42 113.55 132.25 3kcu h SER 210 Ca -0.35 0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.07 3kcu h SER 210 Cb 1.14 0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 63.45 3kcu h SER 210 CO 0.59 -0.13 0.11 0.40 -0.87 0.00 0.00 176.83 176.93 3kcu h ILE 211 N -0.01 1.17 -0.48 0.95 2.04 -1.97 -1.78 117.51 117.42 3kcu h ILE 211 Ca 0.18 -0.51 0.07 0.00 1.00 0.00 0.00 64.86 65.59 3kcu h ILE 211 Cb 0.28 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 3kcu h ILE 211 CO -0.39 0.17 0.32 0.00 0.00 0.00 0.00 178.15 178.26 3kcu h ALA 212 N 0.95 1.99 0.00 1.87 0.00 -1.82 0.59 119.26 122.84 3kcu h ALA 212 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3kcu h ALA 212 Cb 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3kcu h ALA 212 CO -0.01 -0.08 0.00 -0.91 0.00 0.00 0.00 179.25 178.25 3kcu h ASN 213 N 0.36 0.00 0.33 0.00 2.35 -0.54 -2.46 115.58 115.62 3kcu h ASN 213 Ca 0.21 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 3kcu h ASN 213 Cb 0.38 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 3kcu h ASN 213 CO -0.05 0.00 -0.13 0.24 -1.65 0.00 0.00 177.43 175.84 3kcu h MET 214 N 0.00 0.00 0.00 0.81 2.86 -0.06 -1.89 114.93 116.65 3kcu h MET 214 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 3kcu h MET 214 Cb 0.71 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 3kcu h MET 214 CO 0.00 0.13 -0.55 0.35 1.06 0.00 0.00 176.91 177.90 3kcu h PHE 215 N 0.00 0.00 -0.26 -0.22 3.57 -1.52 -3.38 116.94 115.13 3kcu h PHE 215 Ca -0.00 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 3kcu h PHE 215 Cb 0.33 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.01 3kcu h PHE 215 CO 0.00 0.32 -0.16 1.98 -2.23 0.00 0.00 178.31 178.22 3kcu h MET 216 N -1.00 -0.13 -0.01 1.11 4.05 -1.38 0.19 114.93 117.76 3kcu h MET 216 Ca -0.06 0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.31 3kcu h MET 216 Cb 0.60 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.43 3kcu h MET 216 CO -0.04 -0.09 -0.19 0.82 0.23 0.00 0.00 176.91 177.64 3kcu h ILE 217 N -0.14 1.53 -0.07 1.77 2.04 -1.61 -1.25 117.51 119.78 3kcu h ILE 217 Ca 0.14 -1.82 -0.00 0.00 1.00 0.00 0.00 64.86 64.18 3kcu h ILE 217 Cb 0.35 2.66 -0.00 0.00 -0.74 0.00 0.00 36.82 39.09 3kcu h ILE 217 CO -0.35 0.50 0.03 -0.65 0.00 0.00 0.00 178.15 177.68 3kcu h PRO 218 N -0.49 0.09 -0.24 2.37 0.11 -1.70 -0.42 132.00 131.72 3kcu h PRO 218 Ca -0.02 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 3kcu h PRO 218 Cb 0.91 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 3kcu h PRO 218 CO 0.04 0.08 0.14 1.98 -0.21 0.00 0.00 178.00 180.03 3kcu h MET 219 N 0.10 0.34 -0.56 1.05 1.85 -0.42 -0.56 114.93 116.73 3kcu h MET 219 Ca 0.03 -0.04 0.03 0.00 -0.61 0.00 0.00 59.70 59.11 3kcu h MET 219 Cb 0.01 -0.07 -0.04 0.00 0.43 0.00 0.00 31.60 31.94 3kcu h MET 219 CO -0.00 0.29 0.33 0.78 -0.40 0.00 0.00 176.91 177.91 3kcu h GLY 220 N 0.29 0.79 0.94 1.39 0.00 -0.54 -1.74 103.07 104.21 3kcu h GLY 220 Ca 0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 3kcu h GLY 220 CO -0.02 0.21 0.15 -2.22 0.00 0.00 0.00 176.54 174.66 3kcu h ILE 221 N 0.66 1.20 -0.02 2.60 2.04 -0.82 0.57 117.51 123.74 3kcu h ILE 221 Ca 0.22 -0.63 0.02 0.00 1.00 0.00 0.00 64.86 65.47 3kcu h ILE 221 Cb 0.03 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 3kcu h ILE 221 CO -0.10 0.22 -0.08 0.58 0.00 0.00 0.00 178.15 178.78 3kcu h VAL 222 N 0.49 0.80 -0.46 1.67 2.07 -0.97 0.17 116.25 120.01 3kcu h VAL 222 Ca 0.13 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.69 3kcu h VAL 222 Cb 0.21 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 3kcu h VAL 222 CO -0.01 0.00 0.24 0.40 0.02 0.00 0.00 177.57 178.22 3kcu h ILE 223 N -0.12 0.98 -0.17 4.57 2.04 -1.15 0.16 117.51 123.81 3kcu h ILE 223 Ca 0.04 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.74 3kcu h ILE 223 Cb 0.17 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3kcu h ILE 223 CO -0.09 0.09 0.11 -0.09 0.00 0.00 0.00 178.15 178.17 3kcu h ARG 224 N 0.48 0.23 0.00 2.37 2.43 -0.50 0.04 114.38 119.42 3kcu h ARG 224 Ca 0.20 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.28 3kcu h ARG 224 Cb 0.09 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3kcu h ARG 224 CO -0.13 0.16 -0.37 -0.44 -1.51 0.00 0.00 179.97 177.68 3kcu h ASP 225 N 0.23 0.00 0.00 -3.80 3.32 -0.27 -3.37 116.42 112.53 3kcu h ASP 225 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3kcu h ASP 225 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3kcu h ASP 225 CO -0.01 0.37 0.00 0.49 -1.72 0.00 0.00 179.24 178.36 3kcu n PHE 226 N -3.51 0.00 -2.01 4.55 3.72 0.52 -5.06 117.46 115.67 3kcu n PHE 226 Ca -0.00 -0.13 -0.39 0.00 -0.05 0.00 0.00 57.45 56.87 3kcu n PHE 226 Cb 0.51 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 3kcu n PHE 226 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kcu s ALA 227 N -0.27 3.18 0.97 4.37 0.00 -0.01 -4.99 121.76 125.00 3kcu s ALA 227 Ca 0.00 1.25 -0.11 0.00 0.00 0.00 0.00 51.96 53.09 3kcu s ALA 227 Cb 0.00 -3.50 0.17 0.00 0.00 0.00 0.00 23.12 19.79 3kcu s ALA 227 CO 0.00 -0.92 1.09 -1.54 0.00 0.00 0.00 175.76 174.39 3kcu s SER 228 N -0.79 2.68 0.40 0.00 1.04 -1.26 -4.93 113.70 110.82 3kcu s SER 228 Ca 0.60 1.71 0.19 0.00 0.48 0.00 0.00 55.95 58.93 3kcu s SER 228 Cb -0.38 -2.34 0.80 0.00 0.10 0.00 0.00 66.02 64.20 3kcu s SER 228 CO 0.48 -3.17 1.80 -0.65 0.98 0.00 0.00 173.24 172.67 3kcu h PRO 229 N -1.92 0.00 -0.05 4.02 0.11 -2.00 -3.02 132.00 129.14 3kcu h PRO 229 Ca -0.51 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.51 3kcu h PRO 229 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 3kcu h PRO 229 CO 0.50 0.34 -0.41 1.49 -0.21 0.00 0.00 178.00 179.70 3kcu h GLU 230 N 0.00 0.10 0.25 1.05 4.81 -1.99 -1.36 114.58 117.44 3kcu h GLU 230 Ca -0.00 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3kcu h GLU 230 Cb 0.78 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.16 3kcu h GLU 230 CO 0.04 0.50 -0.12 0.35 -0.73 0.00 0.00 179.01 179.05 3kcu h PHE 231 N 0.09 -0.32 -0.97 0.92 3.57 -1.90 0.76 116.94 119.09 3kcu h PHE 231 Ca 0.01 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.59 3kcu h PHE 231 Cb 0.77 0.10 -0.07 0.00 2.79 0.00 0.00 35.95 39.54 3kcu h PHE 231 CO 0.01 -0.06 0.61 -1.49 -2.23 0.00 0.00 178.31 175.15 3kcu h TRP 232 N -0.54 1.12 0.52 0.41 -0.00 -1.49 0.95 115.95 116.92 3kcu h TRP 232 Ca -0.03 0.03 -0.03 0.00 -0.00 0.00 0.00 58.89 58.86 3kcu h TRP 232 Cb 0.40 -0.36 0.01 0.00 -0.00 0.00 0.00 29.16 29.20 3kcu h TRP 232 CO -0.01 0.52 -0.25 1.15 -0.00 0.00 0.00 178.44 179.85 3kcu h THR 233 N 1.05 0.42 -0.57 1.49 2.02 -1.18 0.32 112.91 116.46 3kcu h THR 233 Ca 0.45 -0.30 0.11 0.00 0.77 0.00 0.00 66.41 67.44 3kcu h THR 233 Cb 0.30 0.53 -0.09 0.00 -1.74 0.00 0.00 68.15 67.16 3kcu h THR 233 CO -0.21 0.04 0.05 0.00 0.37 0.00 0.00 175.52 175.77 3kcu h ALA 234 N -0.55 0.60 -0.14 6.16 0.00 -0.23 -2.39 119.26 122.72 3kcu h ALA 234 Ca -0.07 0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 3kcu h ALA 234 Cb 0.61 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3kcu h ALA 234 CO 0.12 -0.36 -0.46 0.28 0.00 0.00 0.00 179.25 178.82 3kcu h VAL 235 N 0.17 1.35 -0.75 0.00 2.07 -0.86 -3.49 116.25 114.73 3kcu h VAL 235 Ca 0.30 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 66.07 3kcu h VAL 235 Cb 0.46 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 3kcu h VAL 235 CO -0.45 0.53 0.00 0.61 0.02 0.00 0.00 177.57 178.28 3kcu n GLY 236 N 0.59 0.61 0.00 2.17 0.00 0.11 -5.09 105.19 103.58 3kcu n GLY 236 Ca -0.07 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.15 0.00 -3.62 1.61 2.88 -0.84 -5.05 113.62 108.44 3kcu n SER 237 Ca 0.00 -0.35 -0.16 0.00 -1.33 0.00 0.00 58.87 57.03 3kcu n SER 237 Cb 0.22 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.60 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 -1.75 -1.41 0.58 -1.46 0.00 -1.26 -4.69 121.76 111.76 3kcu s ALA 238 Ca 0.00 1.10 0.28 0.00 0.00 0.00 0.00 51.96 53.34 3kcu s ALA 238 Cb 0.00 -0.18 1.66 0.00 0.00 0.00 0.00 23.12 24.60 3kcu s ALA 238 CO 0.00 -0.32 2.12 -1.35 0.00 0.00 0.00 175.76 176.21 3kcu h PRO 239 N 3.72 0.00 0.00 0.00 0.11 -1.98 0.88 132.00 134.73 3kcu h PRO 239 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3kcu h PRO 239 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3kcu h PRO 239 CO 0.34 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.52 3kcu n GLU 240 N -3.86 0.08 0.09 1.05 4.71 -1.26 -2.54 120.64 118.91 3kcu n GLU 240 Ca 0.01 0.16 0.13 0.00 -0.01 0.00 0.00 57.16 57.45 3kcu n GLU 240 Cb 0.29 -1.61 0.44 0.00 -1.01 0.00 0.00 31.44 29.56 3kcu n GLU 240 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3kcu n ASN 241 N -1.74 0.67 -2.32 1.62 3.02 0.30 -3.71 115.26 113.11 3kcu n ASN 241 Ca 0.05 0.57 -0.22 0.00 -0.03 0.00 0.00 54.58 54.96 3kcu n ASN 241 Cb 0.30 -0.75 0.02 0.00 -0.61 0.00 0.00 39.78 38.73 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 -2.14 2.74 0.21 3.10 3.72 -1.05 -4.86 117.46 119.18 3kcu n PHE 242 Ca 0.05 -2.59 0.11 0.00 -0.05 0.00 0.00 57.45 54.97 3kcu n PHE 242 Cb 0.39 -0.24 0.54 0.00 -0.94 0.00 0.00 39.48 39.23 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 -0.56 0.56 0.05 4.37 3.41 -1.24 -1.18 113.62 119.02 3kcu n SER 243 Ca 0.36 0.73 0.12 0.00 -0.26 0.00 0.00 58.87 59.82 3kcu n SER 243 Cb 0.83 -0.81 0.21 0.00 -0.26 0.00 0.00 64.21 64.17 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 -2.22 0.46 -2.20 7.33 8.25 -1.26 -4.61 115.22 120.97 3kcu n HIS 244 Ca -0.01 0.13 -0.38 0.00 -0.26 0.00 0.00 57.72 57.21 3kcu n HIS 244 Cb 0.08 -0.59 -0.03 0.00 1.12 0.00 0.00 29.99 30.57 3kcu n HIS 244 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3kcu n LEU 245 N -1.99 4.42 -4.41 2.41 4.77 -0.32 -4.73 117.00 117.15 3kcu n LEU 245 Ca 0.04 -3.60 -0.22 0.00 -0.03 0.00 0.00 56.01 52.20 3kcu n LEU 245 Cb 0.42 -1.69 -0.10 0.00 -2.33 0.00 0.00 43.42 39.72 3kcu n LEU 245 CO 0.36 -0.48 -0.46 0.42 -1.33 0.00 0.00 177.39 175.89 3kcu s THR 246 N 6.55 2.11 0.35 -5.08 -4.23 -1.26 -4.78 115.64 109.30 3kcu s THR 246 Ca 0.59 -2.28 0.05 0.00 -1.18 0.00 0.00 61.69 58.86 3kcu s THR 246 Cb 0.04 -2.16 0.19 0.00 1.34 0.00 0.00 72.50 71.91 3kcu s THR 246 CO 0.09 -0.47 1.92 0.58 -0.54 0.00 0.00 174.62 176.19 3kcu h VAL 247 N 2.48 1.18 -0.05 2.29 2.07 -1.98 -1.08 116.25 121.16 3kcu h VAL 247 Ca -0.39 -0.63 -0.08 0.00 0.82 0.00 0.00 66.70 66.42 3kcu h VAL 247 Cb 1.24 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3kcu h VAL 247 CO 0.60 0.23 -0.27 -0.03 0.02 0.00 0.00 177.57 178.12 3kcu h MET 248 N 0.54 0.27 -0.96 1.57 1.85 -1.96 -2.32 114.93 113.93 3kcu h MET 248 Ca 0.13 -0.22 0.07 0.00 -0.61 0.00 0.00 59.70 59.06 3kcu h MET 248 Cb 0.22 0.05 -0.07 0.00 0.43 0.00 0.00 31.60 32.23 3kcu h MET 248 CO -0.00 0.88 0.61 -0.91 -0.40 0.00 0.00 176.91 177.09 3kcu h ASN 249 N -0.28 0.96 -0.28 1.39 2.35 -1.81 -0.34 115.58 117.57 3kcu h ASN 249 Ca -0.02 0.02 0.06 0.00 -0.55 0.00 0.00 56.30 55.80 3kcu h ASN 249 Cb 0.94 -0.18 -0.06 0.00 0.05 0.00 0.00 38.32 39.07 3kcu h ASN 249 CO 0.06 0.60 -0.08 0.15 -1.65 0.00 0.00 177.43 176.51 3kcu h PHE 250 N 1.09 -0.17 0.57 1.19 3.57 -1.12 0.17 116.94 122.24 3kcu h PHE 250 Ca 0.42 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.92 3kcu h PHE 250 Cb 0.21 0.12 0.01 0.00 2.79 0.00 0.00 35.95 39.07 3kcu h PHE 250 CO -0.01 -0.13 -0.28 0.82 -2.23 0.00 0.00 178.31 176.48 3kcu h ILE 251 N -0.01 0.42 0.19 1.41 1.08 -0.72 -0.01 117.51 119.87 3kcu h ILE 251 Ca 0.14 -0.12 -0.34 0.00 -0.39 0.00 0.00 64.86 64.16 3kcu h ILE 251 Cb 0.22 0.46 0.02 0.00 -3.07 0.00 0.00 36.82 34.45 3kcu h ILE 251 CO -0.30 0.02 -1.60 0.71 -0.69 0.00 0.00 178.15 176.29 3kcu h THR 252 N -0.85 1.11 0.00 -0.27 1.35 -1.04 -1.80 112.91 111.41 3kcu h THR 252 Ca -0.08 -2.65 0.00 0.00 -0.55 0.00 0.00 66.41 63.13 3kcu h THR 252 Cb 0.62 2.86 0.00 0.00 -1.73 0.00 0.00 68.15 69.90 3kcu h THR 252 CO 0.13 0.84 -0.37 0.44 -0.25 0.00 0.00 175.52 176.31 3kcu h ASP 253 N 0.11 0.00 0.00 5.36 3.45 -0.81 -3.41 116.42 121.12 3kcu h ASP 253 Ca -0.29 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.13 3kcu h ASP 253 Cb 2.10 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.87 3kcu h ASP 253 CO 0.21 0.02 0.00 -3.20 -1.57 0.00 0.00 179.24 174.70 3kcu n ASN 254 N -2.66 0.07 -0.31 6.45 2.85 -1.11 -4.67 115.26 115.88 3kcu n ASN 254 Ca 0.03 0.06 0.13 0.00 -0.11 0.00 0.00 54.58 54.69 3kcu n ASN 254 Cb 0.50 0.01 0.31 0.00 1.24 0.00 0.00 39.78 41.85 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 0.40 0.17 1.20 5.85 -0.96 0.50 115.31 122.46 3kcu h LEU 255 Ca 0.00 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3kcu h LEU 255 Cb 0.00 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3kcu h LEU 255 CO 0.00 0.03 -0.08 0.40 -0.34 0.00 0.00 178.44 178.45 3kcu h ILE 256 N 0.45 0.94 -0.64 4.05 2.04 -1.57 -1.16 117.51 121.62 3kcu h ILE 256 Ca 0.57 -0.99 -0.09 0.00 1.00 0.00 0.00 64.86 65.35 3kcu h ILE 256 Cb 1.06 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 3kcu h ILE 256 CO -0.51 0.21 0.06 -0.65 0.00 0.00 0.00 178.15 177.26 3kcu h PRO 257 N -0.74 1.08 -0.48 2.37 0.11 -1.71 -1.70 132.00 130.94 3kcu h PRO 257 Ca -0.02 -0.31 -0.12 0.00 0.11 0.00 0.00 66.00 65.66 3kcu h PRO 257 Cb 0.51 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 3kcu h PRO 257 CO 0.04 1.02 -0.16 0.28 -0.21 0.00 0.00 178.00 178.97 3kcu h VAL 258 N 1.00 1.27 -0.40 3.15 2.07 -1.00 0.90 116.25 123.25 3kcu h VAL 258 Ca 0.19 -1.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.38 3kcu h VAL 258 Cb 0.50 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 3kcu h VAL 258 CO 0.02 0.45 0.18 0.74 0.02 0.00 0.00 177.57 178.98 3kcu h THR 259 N 0.80 1.18 -0.72 2.57 2.02 -1.13 0.41 112.91 118.05 3kcu h THR 259 Ca 0.12 -0.54 -0.05 0.00 0.77 0.00 0.00 66.41 66.71 3kcu h THR 259 Cb 0.73 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 3kcu h THR 259 CO 0.06 0.20 0.27 0.40 0.37 0.00 0.00 175.52 176.81 3kcu h ILE 260 N 0.51 1.25 -0.35 3.11 2.04 -1.10 -0.40 117.51 122.56 3kcu h ILE 260 Ca 0.14 -0.80 -0.10 0.00 1.00 0.00 0.00 64.86 65.09 3kcu h ILE 260 Cb 0.15 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3kcu h ILE 260 CO -0.01 0.32 -0.18 1.23 0.00 0.00 0.00 178.15 179.50 3kcu h GLY 261 N 1.10 0.80 0.46 5.37 0.00 -0.42 -0.59 103.07 109.78 3kcu h GLY 261 Ca 0.24 -0.73 0.12 0.00 0.00 0.00 0.00 47.33 46.96 3kcu h GLY 261 CO -0.02 0.66 0.63 3.43 0.00 0.00 0.00 176.54 181.25 3kcu h ASN 262 N 0.52 0.90 -0.07 0.19 -0.26 0.25 0.10 115.58 117.22 3kcu h ASN 262 Ca 0.08 0.05 -0.10 0.00 -0.56 0.00 0.00 56.30 55.77 3kcu h ASN 262 Cb 0.73 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.86 3kcu h ASN 262 CO 0.05 0.47 -0.34 0.40 -1.06 0.00 0.00 177.43 176.95 3kcu h ILE 263 N 0.96 1.42 -0.56 2.81 2.04 -0.65 -1.84 117.51 121.70 3kcu h ILE 263 Ca 0.50 -1.76 0.01 0.00 1.00 0.00 0.00 64.86 64.61 3kcu h ILE 263 Cb 0.52 2.34 -0.03 0.00 -0.74 0.00 0.00 36.82 38.92 3kcu h ILE 263 CO -0.26 0.51 0.37 0.40 0.00 0.00 0.00 178.15 179.16 3kcu h ILE 264 N -0.14 1.14 -0.13 -0.67 2.04 -0.89 0.28 117.51 119.14 3kcu h ILE 264 Ca -0.02 -0.26 0.04 0.00 1.00 0.00 0.00 64.86 65.61 3kcu h ILE 264 Cb 1.00 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 3kcu h ILE 264 CO 0.07 0.14 -0.14 1.23 0.00 0.00 0.00 178.15 179.45 3kcu h GLY 265 N 0.76 -0.05 2.00 5.37 0.00 -0.79 0.12 103.07 110.48 3kcu h GLY 265 Ca 0.21 0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.67 3kcu h GLY 265 CO -0.04 -0.14 -0.15 -1.33 0.00 0.00 0.00 176.54 174.87 3kcu h GLY 266 N -0.16 0.00 0.95 4.60 0.00 -1.14 -2.81 103.07 104.50 3kcu h GLY 266 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 3kcu h GLY 266 CO -0.23 0.00 -0.20 -1.33 0.00 0.00 0.00 176.54 174.78 3kcu h GLY 267 N 0.97 -0.60 0.26 4.60 0.00 0.20 -2.94 103.07 105.56 3kcu h GLY 267 Ca -0.00 0.22 0.05 0.00 0.00 0.00 0.00 47.33 47.60 3kcu h GLY 267 CO 0.02 -0.22 -0.21 1.41 0.00 0.00 0.00 176.54 177.54 3kcu h LEU 268 N -0.64 -0.68 -2.12 3.11 3.38 -0.74 -1.33 115.31 116.30 3kcu h LEU 268 Ca -0.06 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.07 3kcu h LEU 268 Cb 0.47 0.32 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 3kcu h LEU 268 CO 0.10 -0.26 0.10 -0.07 0.09 0.00 0.00 178.44 178.40 3kcu h LEU 269 N -0.24 0.00 -0.06 1.67 3.38 -1.58 -2.14 115.31 116.34 3kcu h LEU 269 Ca 0.12 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3kcu h LEU 269 Cb 0.42 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3kcu h LEU 269 CO -0.33 0.00 -0.10 0.58 0.09 0.00 0.00 178.44 178.68 3kcu h VAL 270 N 0.00 1.41 -0.64 1.22 2.07 -1.07 -2.19 116.25 117.05 3kcu h VAL 270 Ca 0.06 -1.37 0.02 0.00 0.82 0.00 0.00 66.70 66.22 3kcu h VAL 270 Cb 0.26 2.18 -0.04 0.00 -1.52 0.00 0.00 31.29 32.17 3kcu h VAL 270 CO -0.00 0.38 0.41 1.23 0.02 0.00 0.00 177.57 179.61 3kcu h GLY 271 N -0.31 0.91 0.92 2.17 0.00 -0.96 -1.44 103.07 104.36 3kcu h GLY 271 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 3kcu h GLY 271 CO 0.02 0.29 -0.09 -2.00 0.00 0.00 0.00 176.54 174.76 3kcu h LEU 272 N 0.82 -0.21 -0.31 3.11 5.85 -1.47 -3.23 115.31 119.87 3kcu h LEU 272 Ca 0.25 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.94 3kcu h LEU 272 Cb -0.04 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3kcu h LEU 272 CO -0.08 -0.08 0.12 0.74 -0.34 0.00 0.00 178.44 178.81 3kcu h THR 273 N -0.34 0.94 -0.32 1.05 2.02 -1.21 -3.16 112.91 111.88 3kcu h THR 273 Ca -0.03 -0.09 0.03 0.00 0.77 0.00 0.00 66.41 67.09 3kcu h THR 273 Cb 0.26 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 3kcu h THR 273 CO 0.04 0.05 -0.19 0.00 0.37 0.00 0.00 175.52 175.79 3kcu n TYR 274 N -5.00 -0.14 -1.64 3.16 4.19 -0.56 -3.62 117.16 113.55 3kcu n TYR 274 Ca -0.00 0.40 -0.18 0.00 3.31 0.00 0.00 57.90 61.43 3kcu n TYR 274 Cb 0.10 -0.52 -0.06 0.00 0.49 0.00 0.00 39.34 39.35 3kcu n TYR 274 CO 0.00 0.00 0.00 -1.58 0.91 0.00 0.00 176.86 176.19 3kcu s TRP 275 N -3.82 1.22 0.00 2.98 0.52 -1.20 -5.08 118.94 113.56 3kcu s TRP 275 Ca -0.04 1.76 0.00 0.00 0.02 0.00 0.00 56.10 57.84 3kcu s TRP 275 Cb 0.04 -3.54 0.00 0.00 -1.15 0.00 0.00 33.47 28.82 3kcu s TRP 275 CO 0.20 -1.73 0.00 1.55 0.02 0.00 0.00 176.95 177.00