#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 2.78 0.10 2.13 2.46 -1.26 -4.95 115.29 116.55 3kcu s HIS 30 Ca 0.00 1.19 -0.10 0.00 0.47 0.00 0.00 55.06 56.63 3kcu s HIS 30 Cb 0.00 -3.91 -0.17 0.00 -0.13 0.00 0.00 32.58 28.37 3kcu s HIS 30 CO 0.00 -2.68 1.24 -1.35 -2.47 0.00 0.00 174.74 169.48 3kcu h PRO 31 N 3.47 0.58 -0.34 2.88 0.11 -2.06 -2.64 132.00 133.99 3kcu h PRO 31 Ca -0.49 -0.62 -0.16 0.00 0.11 0.00 0.00 66.00 64.84 3kcu h PRO 31 Cb 1.23 0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.51 3kcu h PRO 31 CO 0.67 1.23 -0.40 1.25 -0.21 0.00 0.00 178.00 180.55 3kcu h LEU 32 N 0.33 0.95 -0.22 2.35 5.85 -1.99 -1.81 115.31 120.75 3kcu h LEU 32 Ca -0.11 -0.48 0.03 0.00 0.84 0.00 0.00 57.88 58.17 3kcu h LEU 32 Cb 1.64 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.37 3kcu h LEU 32 CO 0.19 1.24 0.01 0.50 -0.34 0.00 0.00 178.44 180.04 3kcu h LYS 33 N 0.67 0.09 -0.90 1.25 3.64 -1.97 -1.77 116.57 117.57 3kcu h LYS 33 Ca 0.05 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.50 3kcu h LYS 33 Cb 0.99 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.72 3kcu h LYS 33 CO 0.10 0.06 0.56 1.15 -2.27 0.00 0.00 179.45 179.04 3kcu h THR 34 N 0.09 1.02 -0.59 1.00 2.02 -1.33 -0.14 112.91 114.98 3kcu h THR 34 Ca 0.10 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 3kcu h THR 34 Cb 0.12 -0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.44 3kcu h THR 34 CO -0.16 0.18 0.29 0.15 0.37 0.00 0.00 175.52 176.34 3kcu h PHE 35 N 0.99 0.84 -0.41 3.16 3.57 -0.87 0.18 116.94 124.41 3kcu h PHE 35 Ca 0.41 -0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.74 3kcu h PHE 35 Cb 0.24 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 3kcu h PHE 35 CO -0.03 0.64 -0.23 1.88 -2.23 0.00 0.00 178.31 178.35 3kcu h TYR 36 N 0.80 1.02 0.00 0.41 0.05 -0.44 -0.06 116.97 118.75 3kcu h TYR 36 Ca 0.20 -0.26 -0.03 0.00 0.05 0.00 0.00 58.73 58.69 3kcu h TYR 36 Cb 0.11 -0.23 -0.00 0.00 1.01 0.00 0.00 36.73 37.62 3kcu h TYR 36 CO -0.00 1.05 -0.15 -0.07 -1.05 0.00 0.00 178.16 177.93 3kcu h LEU 37 N 0.69 0.00 0.19 3.88 3.38 -0.88 -1.31 115.31 121.27 3kcu h LEU 37 Ca 0.09 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.74 3kcu h LEU 37 Cb 0.80 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.57 3kcu h LEU 37 CO 0.07 0.15 -1.46 0.00 0.09 0.00 0.00 178.44 177.29 3kcu h ALA 38 N 1.85 0.01 -0.66 1.53 0.00 -0.38 -1.03 119.26 120.58 3kcu h ALA 38 Ca -0.00 -0.94 0.06 0.00 0.00 0.00 0.00 54.91 54.03 3kcu h ALA 38 Cb 0.40 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 3kcu h ALA 38 CO 0.02 0.88 0.37 0.82 0.00 0.00 0.00 179.25 181.33 3kcu h ILE 39 N 0.11 0.98 -0.42 0.00 2.04 -0.92 -1.49 117.51 117.81 3kcu h ILE 39 Ca -0.23 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 3kcu h ILE 39 Cb 2.09 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 3kcu h ILE 39 CO 0.23 0.13 0.19 0.74 0.00 0.00 0.00 178.15 179.43 3kcu h THR 40 N 0.69 1.18 -0.85 -0.27 2.02 -1.15 -1.15 112.91 113.38 3kcu h THR 40 Ca 0.29 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 3kcu h THR 40 Cb 0.17 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 3kcu h THR 40 CO -0.17 0.20 0.53 0.00 0.37 0.00 0.00 175.52 176.44 3kcu h ALA 41 N 1.04 1.33 -0.87 6.16 0.00 -1.14 0.25 119.26 126.03 3kcu h ALA 41 Ca 0.14 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3kcu h ALA 41 Cb 0.14 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 3kcu h ALA 41 CO -0.02 0.59 0.57 0.78 0.00 0.00 0.00 179.25 181.17 3kcu h GLY 42 N 1.18 1.25 0.87 0.00 0.00 -0.72 -0.50 103.07 105.14 3kcu h GLY 42 Ca 0.31 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 3kcu h GLY 42 CO -0.06 0.39 0.06 -2.08 0.00 0.00 0.00 176.54 174.85 3kcu h VAL 43 N 1.12 1.20 -0.83 4.60 2.07 -0.54 -1.98 116.25 121.89 3kcu h VAL 43 Ca 0.34 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 67.23 3kcu h VAL 43 Cb -0.04 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 3kcu h VAL 43 CO -0.10 0.21 0.54 -0.26 0.02 0.00 0.00 177.57 177.98 3kcu h PHE 44 N 0.20 1.01 -0.06 1.57 0.04 -0.47 0.10 116.94 119.33 3kcu h PHE 44 Ca 0.07 0.03 -0.16 0.00 2.80 0.00 0.00 57.97 60.71 3kcu h PHE 44 Cb 0.26 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 3kcu h PHE 44 CO 0.01 0.60 -0.66 0.97 -0.60 0.00 0.00 178.31 178.63 3kcu h ILE 45 N 1.07 1.40 -0.57 -0.55 6.09 -1.12 -0.61 117.51 123.23 3kcu h ILE 45 Ca 0.32 -2.11 -0.04 0.00 -1.37 0.00 0.00 64.86 61.66 3kcu h ILE 45 Cb -0.04 2.09 -0.02 0.00 0.47 0.00 0.00 36.82 39.31 3kcu h ILE 45 CO -0.10 0.62 0.20 0.28 -3.07 0.00 0.00 178.15 176.08 3kcu h SER 46 N 0.18 0.81 -0.66 2.19 0.02 -0.71 -1.55 113.55 113.83 3kcu h SER 46 Ca -0.01 -0.19 0.04 0.00 -0.84 0.00 0.00 61.79 60.78 3kcu h SER 46 Cb 1.20 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 63.48 3kcu h SER 46 CO 0.10 0.79 0.39 0.40 -1.14 0.00 0.00 176.83 177.37 3kcu h ILE 47 N 0.79 1.03 -0.37 3.27 2.04 -0.54 0.10 117.51 123.84 3kcu h ILE 47 Ca 0.19 -0.26 0.05 0.00 1.00 0.00 0.00 64.86 65.84 3kcu h ILE 47 Cb 0.25 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 3kcu h ILE 47 CO -0.01 0.14 0.10 0.00 0.00 0.00 0.00 178.15 178.38 3kcu h ALA 48 N 1.31 0.42 -0.09 1.87 0.00 -0.62 -1.02 119.26 121.11 3kcu h ALA 48 Ca 0.28 0.06 -0.16 0.00 0.00 0.00 0.00 54.91 55.09 3kcu h ALA 48 Cb 0.09 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3kcu h ALA 48 CO -0.14 -0.29 -0.62 0.35 0.00 0.00 0.00 179.25 178.55 3kcu h PHE 49 N 0.24 0.43 -0.46 0.00 3.04 -0.92 -1.07 116.94 118.21 3kcu h PHE 49 Ca 0.17 -0.17 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 3kcu h PHE 49 Cb 0.17 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.59 3kcu h PHE 49 CO -0.17 0.86 0.27 0.28 -2.02 0.00 0.00 178.31 177.54 3kcu h VAL 50 N 0.25 1.15 -0.69 1.41 2.07 -0.75 0.14 116.25 119.83 3kcu h VAL 50 Ca -0.01 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 3kcu h VAL 50 Cb 1.14 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 3kcu h VAL 50 CO 0.10 0.15 0.41 0.15 0.02 0.00 0.00 177.57 178.40 3kcu h PHE 51 N 0.61 0.91 -0.59 1.57 3.57 -0.94 0.09 116.94 122.17 3kcu h PHE 51 Ca 0.16 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 3kcu h PHE 51 Cb 0.01 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.42 3kcu h PHE 51 CO -0.03 0.62 0.31 -0.92 -2.23 0.00 0.00 178.31 176.06 3kcu h TYR 52 N 0.94 0.81 -0.56 0.41 3.20 -0.87 -0.53 116.97 120.38 3kcu h TYR 52 Ca 0.25 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.05 3kcu h TYR 52 Cb -0.02 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 37.97 3kcu h TYR 52 CO -0.01 0.60 0.18 0.82 -1.64 0.00 0.00 178.16 178.10 3kcu h ILE 53 N 0.79 1.24 0.16 1.81 1.08 -0.58 -2.48 117.51 119.53 3kcu h ILE 53 Ca 0.21 -0.80 -0.00 0.00 -0.39 0.00 0.00 64.86 63.88 3kcu h ILE 53 Cb 0.06 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 34.50 3kcu h ILE 53 CO -0.03 0.30 -0.12 0.74 -0.69 0.00 0.00 178.15 178.35 3kcu h THR 54 N 0.78 0.74 0.00 -0.27 2.02 -0.60 -2.13 112.91 113.45 3kcu h THR 54 Ca 0.18 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.30 3kcu h THR 54 Cb 0.28 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 3kcu h THR 54 CO -0.01 0.00 -0.29 0.00 0.37 0.00 0.00 175.52 175.60 3kcu h ALA 55 N 0.54 1.34 -0.26 6.16 0.00 -1.05 -2.79 119.26 123.19 3kcu h ALA 55 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3kcu h ALA 55 Cb 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3kcu h ALA 55 CO -0.00 0.36 0.00 0.25 0.00 0.00 0.00 179.25 179.86 3kcu n THR 56 N -3.93 0.33 -2.15 0.00 -2.24 -0.94 -4.87 114.28 100.49 3kcu n THR 56 Ca -0.02 -0.61 -0.42 0.00 -2.27 0.00 0.00 64.05 60.73 3kcu n THR 56 Cb 0.36 0.98 -0.03 0.00 -2.10 0.00 0.00 70.33 69.54 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 3.45 -0.29 4.28 2.01 -0.81 -2.66 115.64 119.94 3kcu s THR 57 Ca 0.36 0.92 0.00 0.00 0.31 0.00 0.00 61.69 63.28 3kcu s THR 57 Cb 0.21 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 69.13 3kcu s THR 57 CO 0.31 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.87 3kcu n GLY 58 N 3.67 0.60 1.42 4.40 0.00 -1.26 -4.93 105.19 109.09 3kcu n GLY 58 Ca 0.13 -0.71 0.08 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.88 1.61 0.30 2.61 -2.24 -1.09 -4.56 114.28 108.02 3kcu n THR 59 Ca -0.03 -1.01 0.18 0.00 -2.27 0.00 0.00 64.05 60.92 3kcu n THR 59 Cb 0.11 0.03 0.90 0.00 -2.10 0.00 0.00 70.33 69.27 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 4.41 0.00 -1.72 3.38 0.00 -1.92 -1.82 103.07 105.41 3kcu h GLY 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kcu h GLY 60 CO 0.22 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.46 3kcu n THR 61 N -3.14 0.12 -2.93 4.70 -2.24 -1.26 -4.93 114.28 104.60 3kcu n THR 61 Ca -0.01 -0.56 -0.30 0.00 -2.27 0.00 0.00 64.05 60.92 3kcu n THR 61 Cb 0.33 1.31 -0.03 0.00 -2.10 0.00 0.00 70.33 69.84 3kcu n THR 61 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3kcu s MET 62 N -1.61 3.72 0.12 -0.78 1.00 -0.68 -5.01 119.30 116.06 3kcu s MET 62 Ca 0.26 0.34 -0.35 0.00 0.00 0.00 0.00 55.69 55.94 3kcu s MET 62 Cb 0.18 -2.44 -0.16 0.00 0.00 0.00 0.00 34.83 32.41 3kcu s MET 62 CO 0.26 -0.01 1.40 -2.30 0.00 0.00 0.00 175.02 174.38 3kcu n PRO 63 N -1.34 1.49 -0.30 2.03 -0.02 -1.26 -4.82 135.00 130.79 3kcu n PRO 63 Ca 0.01 0.54 0.10 0.00 -2.02 0.00 0.00 63.50 62.13 3kcu n PRO 63 Cb 0.54 -2.21 0.23 0.00 -0.02 0.00 0.00 33.50 32.04 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 4.87 0.04 -0.08 6.00 3.57 -1.93 -2.39 116.94 127.01 3kcu h PHE 64 Ca -0.46 0.06 -0.19 0.00 3.53 0.00 0.00 57.97 60.91 3kcu h PHE 64 Cb 1.31 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 40.17 3kcu h PHE 64 CO 0.60 -0.30 -0.74 0.78 -2.23 0.00 0.00 178.31 176.42 3kcu h GLY 65 N 0.10 0.49 0.84 2.40 0.00 -1.97 -2.36 103.07 102.57 3kcu h GLY 65 Ca 0.51 -0.70 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 3kcu h GLY 65 CO -0.75 0.62 0.04 -0.33 0.00 0.00 0.00 176.54 176.13 3kcu h MET 66 N 0.30 0.25 -0.34 4.80 2.86 -1.81 -0.63 114.93 120.36 3kcu h MET 66 Ca -0.04 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3kcu h MET 66 Cb 1.33 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.94 3kcu h MET 66 CO 0.13 0.39 0.18 0.00 1.06 0.00 0.00 176.91 178.67 3kcu h ALA 67 N 0.85 0.43 -0.30 6.32 0.00 -1.46 -0.98 119.26 124.12 3kcu h ALA 67 Ca 0.05 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3kcu h ALA 67 Cb 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3kcu h ALA 67 CO -0.00 -0.03 -0.21 0.87 0.00 0.00 0.00 179.25 179.88 3kcu h LYS 68 N 0.42 0.57 -0.13 0.00 1.79 -1.40 -0.92 116.57 116.89 3kcu h LYS 68 Ca 0.12 -0.21 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 3kcu h LYS 68 Cb 0.08 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 3kcu h LYS 68 CO -0.02 0.74 0.05 1.25 -1.08 0.00 0.00 179.45 180.40 3kcu h LEU 69 N 0.51 0.18 -0.18 2.94 5.85 -0.79 0.12 115.31 123.93 3kcu h LEU 69 Ca 0.08 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.68 3kcu h LEU 69 Cb 0.65 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 3kcu h LEU 69 CO 0.05 0.28 -0.03 0.58 -0.34 0.00 0.00 178.44 178.98 3kcu h VAL 70 N 0.06 0.83 -0.96 1.05 2.07 -0.98 0.62 116.25 118.94 3kcu h VAL 70 Ca 0.04 -0.01 0.13 0.00 0.82 0.00 0.00 66.70 67.69 3kcu h VAL 70 Cb 0.16 0.81 -0.09 0.00 -1.52 0.00 0.00 31.29 30.66 3kcu h VAL 70 CO -0.00 0.00 0.58 1.23 0.02 0.00 0.00 177.57 179.40 3kcu h GLY 71 N 0.02 1.59 1.03 2.17 0.00 -1.01 -1.31 103.07 105.57 3kcu h GLY 71 Ca 0.09 -0.38 -0.13 0.00 0.00 0.00 0.00 47.33 46.92 3kcu h GLY 71 CO -0.18 0.09 -0.26 -1.33 0.00 0.00 0.00 176.54 174.86 3kcu h GLY 72 N 0.87 0.90 0.84 4.60 0.00 0.47 0.33 103.07 111.08 3kcu h GLY 72 Ca 0.50 -0.86 0.03 0.00 0.00 0.00 0.00 47.33 47.00 3kcu h GLY 72 CO -0.30 0.78 0.34 -2.22 0.00 0.00 0.00 176.54 175.14 3kcu h ILE 73 N 0.62 1.04 -0.67 2.60 2.04 -0.43 -2.13 117.51 120.58 3kcu h ILE 73 Ca 0.07 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 3kcu h ILE 73 Cb 0.83 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 3kcu h ILE 73 CO 0.07 0.12 0.40 0.00 0.00 0.00 0.00 178.15 178.74 3kcu h PHE 75 N 0.92 0.65 -0.24 0.00 3.57 -0.28 -2.27 116.94 119.28 3kcu h PHE 75 Ca 0.24 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.83 3kcu h PHE 75 Cb -0.02 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 3kcu h PHE 75 CO -0.01 0.27 0.36 0.66 -2.23 0.00 0.00 178.31 177.37 3kcu h SER 76 N 0.58 0.00 -0.91 0.41 4.64 -1.11 -0.82 113.55 116.34 3kcu h SER 76 Ca 0.37 0.00 0.26 0.00 -0.47 0.00 0.00 61.79 61.95 3kcu h SER 76 Cb 0.64 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.58 3kcu h SER 76 CO -0.14 0.00 0.25 0.25 -0.87 0.00 0.00 176.83 176.32 3kcu h LEU 77 N 0.00 -0.01 -0.38 5.97 5.85 -1.57 -0.92 115.31 124.25 3kcu h LEU 77 Ca 0.12 0.21 0.02 0.00 0.84 0.00 0.00 57.88 59.07 3kcu h LEU 77 Cb 0.84 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 3kcu h LEU 77 CO -0.00 -0.20 0.20 1.23 -0.34 0.00 0.00 178.44 179.32 3kcu h GLY 78 N 0.17 0.51 1.35 3.75 0.00 -1.32 0.07 103.07 107.60 3kcu h GLY 78 Ca 0.59 -0.14 -0.19 0.00 0.00 0.00 0.00 47.33 47.59 3kcu h GLY 78 CO -0.70 0.11 -0.69 -2.00 0.00 0.00 0.00 176.54 173.27 3kcu h LEU 79 N 0.40 0.75 -0.41 3.11 5.85 -1.54 -1.57 115.31 121.90 3kcu h LEU 79 Ca 0.16 -0.46 0.04 0.00 0.84 0.00 0.00 57.88 58.45 3kcu h LEU 79 Cb 0.05 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 3kcu h LEU 79 CO -0.10 1.23 0.18 0.40 -0.34 0.00 0.00 178.44 179.81 3kcu h ILE 80 N 0.46 0.93 -0.18 4.05 2.04 -0.91 -0.61 117.51 123.28 3kcu h ILE 80 Ca -0.02 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 65.75 3kcu h ILE 80 Cb 1.28 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 3kcu h ILE 80 CO 0.13 0.07 -0.07 -0.07 0.00 0.00 0.00 178.15 178.21 3kcu h LEU 81 N 0.37 -0.25 -0.10 1.44 4.07 -0.83 0.45 115.31 120.45 3kcu h LEU 81 Ca 0.18 0.07 0.03 0.00 0.08 0.00 0.00 57.88 58.24 3kcu h LEU 81 Cb 0.12 0.15 -0.04 0.00 1.08 0.00 0.00 40.66 41.98 3kcu h LEU 81 CO -0.15 -0.10 -0.11 0.00 -1.08 0.00 0.00 178.44 176.99 3kcu h VAL 83 N -0.14 1.39 -0.77 0.00 2.07 -1.04 -0.40 116.25 117.36 3kcu h VAL 83 Ca 0.08 -1.34 -0.04 0.00 0.82 0.00 0.00 66.70 66.21 3kcu h VAL 83 Cb 0.25 2.08 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 3kcu h VAL 83 CO -0.19 0.38 0.31 0.58 0.02 0.00 0.00 177.57 178.67 3kcu h VAL 84 N -0.22 1.26 -0.01 2.57 2.07 -0.84 -2.87 116.25 118.20 3kcu h VAL 84 Ca 0.01 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.73 3kcu h VAL 84 Cb 0.66 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3kcu h VAL 84 CO 0.03 0.33 -0.16 0.00 0.02 0.00 0.00 177.57 177.78 3kcu n GLY 86 N 1.30 -0.02 3.90 0.00 0.00 -0.36 -5.02 105.19 104.98 3kcu n GLY 86 Ca 0.14 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.91 3.09 -0.44 4.61 0.00 -0.30 -4.98 121.76 120.83 3kcu s ALA 87 Ca 0.18 -0.46 -0.08 0.00 0.00 0.00 0.00 51.96 51.60 3kcu s ALA 87 Cb -0.08 -2.85 0.10 0.00 0.00 0.00 0.00 23.12 20.29 3kcu s ALA 87 CO 0.22 -0.93 0.28 0.34 0.00 0.00 0.00 175.76 175.67 3kcu s ASP 88 N -4.31 5.57 -0.28 0.00 -1.08 -0.50 -4.73 116.67 111.34 3kcu s ASP 88 Ca 0.56 -1.80 -0.12 0.00 -0.52 0.00 0.00 52.55 50.67 3kcu s ASP 88 Cb -0.11 -1.96 -0.04 0.00 -1.46 0.00 0.00 42.92 39.35 3kcu s ASP 88 CO 0.49 -0.60 0.23 -0.22 0.52 0.00 0.00 175.17 175.59 3kcu s LEU 89 N 1.33 4.07 -0.21 -1.34 2.96 -1.26 -4.24 118.68 120.00 3kcu s LEU 89 Ca 0.05 0.01 -0.18 0.00 -0.22 0.00 0.00 54.13 53.79 3kcu s LEU 89 Cb -0.24 -2.18 -0.08 0.00 0.50 0.00 0.00 46.19 44.18 3kcu s LEU 89 CO -0.01 -0.10 0.88 0.33 -1.32 0.00 0.00 176.35 176.14 3kcu n PHE 90 N 5.12 0.47 -0.03 5.38 7.35 -1.26 -1.30 117.46 133.20 3kcu n PHE 90 Ca -0.13 0.31 0.00 0.00 -0.76 0.00 0.00 57.45 56.88 3kcu n PHE 90 Cb 0.52 -0.94 0.00 0.00 0.35 0.00 0.00 39.48 39.41 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 2.66 0.00 0.28 -2.13 -2.24 -1.26 -4.85 114.28 106.75 3kcu n THR 91 Ca 0.23 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.14 3kcu n THR 91 Cb -0.02 -0.01 0.83 0.00 -2.10 0.00 0.00 70.33 69.03 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 -0.54 3.42 4.64 -1.59 -1.19 113.55 118.29 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 0.02 0.00 0.35 -0.87 0.00 0.00 176.83 176.33 3kcu n THR 93 N -3.99 1.37 -0.30 2.95 -2.24 -1.26 -4.49 114.28 106.32 3kcu n THR 93 Ca -0.03 -1.15 0.07 0.00 -2.27 0.00 0.00 64.05 60.68 3kcu n THR 93 Cb 0.10 0.32 0.23 0.00 -2.10 0.00 0.00 70.33 68.88 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 3.27 0.74 -0.80 2.28 3.04 -1.60 0.13 116.25 123.30 3kcu h VAL 94 Ca 0.00 -0.22 -0.01 0.00 -1.01 0.00 0.00 66.70 65.46 3kcu h VAL 94 Cb 1.09 0.03 -0.04 0.00 -2.01 0.00 0.00 31.29 30.36 3kcu h VAL 94 CO 0.09 0.12 0.47 -0.07 -1.01 0.00 0.00 177.57 177.17 3kcu h LEU 95 N 0.65 0.98 -0.53 3.16 3.38 -1.82 -1.91 115.31 119.21 3kcu h LEU 95 Ca 0.47 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.29 3kcu h LEU 95 Cb 0.65 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3kcu h LEU 95 CO -0.36 0.76 -0.00 0.40 0.09 0.00 0.00 178.44 179.34 3kcu h ILE 96 N 1.11 1.26 -1.01 1.22 5.03 -1.34 -0.78 117.51 123.01 3kcu h ILE 96 Ca 0.29 -1.11 0.03 0.00 -0.12 0.00 0.00 64.86 63.95 3kcu h ILE 96 Cb -0.02 0.92 -0.06 0.00 -3.03 0.00 0.00 36.82 34.64 3kcu h ILE 96 CO -0.05 0.39 0.66 0.58 -0.68 0.00 0.00 178.15 179.06 3kcu h VAL 97 N 0.82 1.20 -0.46 1.67 2.07 -0.99 -0.48 116.25 120.08 3kcu h VAL 97 Ca 0.15 -0.45 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 3kcu h VAL 97 Cb 0.54 -0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 3kcu h VAL 97 CO 0.03 0.24 -0.07 0.58 0.02 0.00 0.00 177.57 178.36 3kcu h VAL 98 N 1.30 1.27 -0.30 2.57 2.07 -0.95 -3.03 116.25 119.18 3kcu h VAL 98 Ca 0.39 -1.17 -0.08 0.00 0.82 0.00 0.00 66.70 66.66 3kcu h VAL 98 Cb -0.04 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3kcu h VAL 98 CO -0.11 0.40 -0.15 0.00 0.02 0.00 0.00 177.57 177.73 3kcu h ALA 99 N 0.89 1.19 0.00 1.67 0.00 -0.62 -0.60 119.26 121.78 3kcu h ALA 99 Ca 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3kcu h ALA 99 Cb 0.60 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3kcu h ALA 99 CO 0.04 0.52 0.00 1.63 0.00 0.00 0.00 179.25 181.44 3kcu n LYS 100 N -4.18 0.40 -0.10 0.00 5.02 -0.23 -1.61 118.16 117.45 3kcu n LYS 100 Ca 0.00 0.07 0.08 0.00 -2.02 0.00 0.00 58.31 56.44 3kcu n LYS 100 Cb 0.34 -1.50 0.11 0.00 -0.02 0.00 0.00 35.03 33.96 3kcu n LYS 100 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kcu n ALA 101 N -1.22 2.19 -2.90 7.82 0.00 -1.05 -4.97 120.51 120.39 3kcu n ALA 101 Ca 0.12 -2.26 -0.14 0.00 0.00 0.00 0.00 53.44 51.15 3kcu n ALA 101 Cb 0.15 -0.34 -0.01 0.00 0.00 0.00 0.00 19.45 19.24 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 -1.18 -2.78 -0.38 0.00 7.64 -0.63 0.67 113.62 116.97 3kcu n SER 102 Ca 0.12 0.01 -0.05 0.00 1.01 0.00 0.00 58.87 59.96 3kcu n SER 102 Cb 0.60 -2.39 -0.02 0.00 -1.01 0.00 0.00 64.21 61.39 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 -0.84 0.74 2.76 0.23 0.00 -0.26 -4.93 105.19 102.90 3kcu n GLY 103 Ca -0.04 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.34 4.20 -3.92 1.61 1.74 0.21 -4.93 116.66 113.23 3kcu n ARG 104 Ca -0.05 -4.21 -0.09 0.00 -0.77 0.00 0.00 57.85 52.73 3kcu n ARG 104 Cb 0.23 -2.37 -0.08 0.00 -1.02 0.00 0.00 32.46 29.21 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 -4.69 0.15 0.41 0.55 2.07 -1.26 -5.00 121.20 113.44 3kcu s ILE 105 Ca 0.45 -1.27 0.07 0.00 -1.41 0.00 0.00 60.65 58.49 3kcu s ILE 105 Cb 0.30 -1.24 0.01 0.00 0.13 0.00 0.00 42.46 41.66 3kcu s ILE 105 CO -0.25 -0.70 0.57 0.42 -1.91 0.00 0.00 174.94 173.07 3kcu s THR 106 N -3.47 3.27 0.09 4.00 -4.23 -1.26 -5.01 115.64 109.03 3kcu s THR 106 Ca 0.02 -0.95 -0.23 0.00 -1.18 0.00 0.00 61.69 59.36 3kcu s THR 106 Cb 0.04 -3.12 -0.15 0.00 1.34 0.00 0.00 72.50 70.61 3kcu s THR 106 CO -0.09 -0.05 1.74 -0.50 -0.54 0.00 0.00 174.62 175.18 3kcu h TRP 107 N 0.64 0.01 -0.63 3.99 4.06 -2.02 -2.57 115.95 119.44 3kcu h TRP 107 Ca -0.42 0.00 0.14 0.00 2.06 0.00 0.00 58.89 60.67 3kcu h TRP 107 Cb 1.27 -0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.39 3kcu h TRP 107 CO 0.40 0.01 0.43 0.78 -3.56 0.00 0.00 178.44 176.51 3kcu h GLY 108 N 0.01 0.39 1.54 1.49 0.00 -1.98 0.90 103.07 105.42 3kcu h GLY 108 Ca 0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 47.33 47.10 3kcu h GLY 108 CO -0.00 0.04 -0.40 1.46 0.00 0.00 0.00 176.54 177.64 3kcu h GLN 109 N 0.24 0.51 -0.45 4.80 1.08 -1.86 -2.78 115.11 116.65 3kcu h GLN 109 Ca 0.30 -0.26 -0.13 0.00 -1.45 0.00 0.00 58.65 57.11 3kcu h GLN 109 Cb 0.84 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.26 3kcu h GLN 109 CO -0.06 0.83 -0.24 -0.07 -0.95 0.00 0.00 178.83 178.33 3kcu h LEU 110 N 0.42 0.96 -1.54 1.46 3.38 -0.52 -2.99 115.31 116.48 3kcu h LEU 110 Ca 0.04 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.64 3kcu h LEU 110 Cb 0.88 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3kcu h LEU 110 CO 0.08 1.15 0.00 0.00 0.09 0.00 0.00 178.44 179.76 3kcu n ALA 111 N -2.52 2.46 -0.36 1.53 0.00 -0.93 -4.55 120.51 116.15 3kcu n ALA 111 Ca -0.00 -0.72 -0.03 0.00 0.00 0.00 0.00 53.44 52.69 3kcu n ALA 111 Cb 0.47 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.92 3kcu n ALA 111 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3kcu n LYS 112 N 0.73 -0.26 -0.79 0.00 4.81 -1.05 -2.04 118.16 119.55 3kcu n LYS 112 Ca 0.16 1.39 -0.02 0.00 -0.87 0.00 0.00 58.31 58.97 3kcu n LYS 112 Cb 0.39 -2.06 0.19 0.00 0.02 0.00 0.00 35.03 33.58 3kcu n LYS 112 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 3kcu n ASN 113 N -5.28 2.32 -0.10 3.14 0.23 -1.26 -4.68 115.26 109.62 3kcu n ASN 113 Ca 0.07 -3.84 -0.06 0.00 -0.53 0.00 0.00 54.58 50.22 3kcu n ASN 113 Cb 0.33 -0.59 0.12 0.00 -2.08 0.00 0.00 39.78 37.56 3kcu n ASN 113 CO 0.00 0.00 0.00 -0.50 -0.93 0.00 0.00 177.26 175.83 3kcu h TRP 114 N 1.07 0.86 -0.19 -2.53 4.06 -1.70 -1.30 115.95 116.21 3kcu h TRP 114 Ca 0.15 -0.16 -0.02 0.00 2.06 0.00 0.00 58.89 60.91 3kcu h TRP 114 Cb 1.38 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 29.31 3kcu h TRP 114 CO 0.93 0.86 0.02 1.25 -3.56 0.00 0.00 178.44 177.95 3kcu h LEU 115 N 0.70 0.31 -0.22 -4.49 5.85 -1.83 0.14 115.31 115.76 3kcu h LEU 115 Ca 0.12 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.58 3kcu h LEU 115 Cb 0.62 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 3kcu h LEU 115 CO 0.04 0.50 0.10 -1.13 -0.34 0.00 0.00 178.44 177.61 3kcu h ASN 116 N 0.10 0.15 -0.52 1.25 -1.24 -1.88 -1.94 115.58 111.50 3kcu h ASN 116 Ca 0.06 0.01 -0.12 0.00 0.71 0.00 0.00 56.30 56.96 3kcu h ASN 116 Cb 0.33 -0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.35 3kcu h ASN 116 CO 0.01 0.12 -0.14 0.58 -1.29 0.00 0.00 177.43 176.71 3kcu h VAL 117 N 0.22 1.27 -0.56 2.57 2.07 -1.13 -1.29 116.25 119.40 3kcu h VAL 117 Ca 0.09 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 3kcu h VAL 117 Cb 0.03 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 3kcu h VAL 117 CO -0.06 0.45 0.33 0.22 0.02 0.00 0.00 177.57 178.53 3kcu h TYR 118 N 0.88 0.76 -0.08 1.57 3.20 -0.60 0.88 116.97 123.58 3kcu h TYR 118 Ca 0.13 -0.01 -0.20 0.00 3.14 0.00 0.00 58.73 61.79 3kcu h TYR 118 Cb 0.71 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.73 3kcu h TYR 118 CO 0.05 0.54 -0.79 0.35 -1.64 0.00 0.00 178.16 176.67 3kcu h PHE 119 N 0.76 0.70 0.03 -3.82 3.57 -1.25 -1.81 116.94 115.11 3kcu h PHE 119 Ca 0.20 -0.32 -0.00 0.00 3.53 0.00 0.00 57.97 61.37 3kcu h PHE 119 Cb 0.01 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.65 3kcu h PHE 119 CO -0.02 1.11 -0.01 0.78 -2.23 0.00 0.00 178.31 177.94 3kcu h GLY 120 N 1.07 -0.04 -0.35 2.40 0.00 -1.09 -0.14 103.07 104.93 3kcu h GLY 120 Ca -0.05 0.01 0.17 0.00 0.00 0.00 0.00 47.33 47.46 3kcu h GLY 120 CO 0.14 -0.01 -0.02 3.43 0.00 0.00 0.00 176.54 180.08 3kcu h ASN 121 N -0.15 -0.39 -0.16 0.19 -0.26 -0.54 -1.03 115.58 113.24 3kcu h ASN 121 Ca -0.00 0.20 -0.01 0.00 -0.56 0.00 0.00 56.30 55.92 3kcu h ASN 121 Cb 0.14 0.35 -0.01 0.00 -1.06 0.00 0.00 38.32 37.75 3kcu h ASN 121 CO 0.01 -0.18 0.05 0.25 -1.06 0.00 0.00 177.43 176.49 3kcu h LEU 122 N 0.09 0.23 -0.60 1.61 5.85 -0.87 -1.41 115.31 120.20 3kcu h LEU 122 Ca 0.40 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.98 3kcu h LEU 122 Cb 0.69 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.60 3kcu h LEU 122 CO -0.67 0.38 0.28 0.58 -0.34 0.00 0.00 178.44 178.67 3kcu h VAL 123 N 0.07 0.87 -0.36 1.05 2.07 -0.36 -0.80 116.25 118.79 3kcu h VAL 123 Ca 0.05 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 3kcu h VAL 123 Cb 0.23 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 3kcu h VAL 123 CO -0.00 0.09 0.22 1.23 0.02 0.00 0.00 177.57 179.13 3kcu h GLY 124 N 0.51 0.51 0.80 2.17 0.00 -1.03 -1.43 103.07 104.60 3kcu h GLY 124 Ca 0.29 -0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.43 3kcu h GLY 124 CO -0.23 0.20 0.01 0.00 0.00 0.00 0.00 176.54 176.52 3kcu h ALA 125 N 1.10 0.14 -0.50 3.60 0.00 -0.78 -2.29 119.26 120.53 3kcu h ALA 125 Ca 0.13 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3kcu h ALA 125 Cb -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3kcu h ALA 125 CO -0.03 -0.43 0.05 -0.07 0.00 0.00 0.00 179.25 178.78 3kcu h LEU 126 N 0.07 0.76 -1.00 0.00 3.38 -1.02 -0.17 115.31 117.32 3kcu h LEU 126 Ca 0.07 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3kcu h LEU 126 Cb 0.07 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 3kcu h LEU 126 CO -0.11 0.79 0.56 -0.07 0.09 0.00 0.00 178.44 179.70 3kcu h LEU 127 N 0.75 1.10 -0.49 1.67 3.38 -1.13 -1.73 115.31 118.86 3kcu h LEU 127 Ca 0.16 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.90 3kcu h LEU 127 Cb 0.38 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3kcu h LEU 127 CO 0.01 0.84 -0.76 0.15 0.09 0.00 0.00 178.44 178.77 3kcu h PHE 128 N 1.26 0.02 -0.05 1.13 3.57 -0.76 -1.96 116.94 120.16 3kcu h PHE 128 Ca 0.33 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.84 3kcu h PHE 128 Cb -0.06 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 3kcu h PHE 128 CO 0.00 0.76 -0.05 0.28 -2.23 0.00 0.00 178.31 177.08 3kcu h VAL 129 N 0.01 0.86 -0.84 1.41 2.07 -0.68 -0.37 116.25 118.70 3kcu h VAL 129 Ca -0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.55 3kcu h VAL 129 Cb 1.34 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.91 3kcu h VAL 129 CO 0.10 0.00 0.53 0.25 0.02 0.00 0.00 177.57 178.47 3kcu h LEU 130 N -0.06 0.86 -0.17 2.57 5.85 -1.18 0.71 115.31 123.89 3kcu h LEU 130 Ca 0.04 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.65 3kcu h LEU 130 Cb 0.12 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3kcu h LEU 130 CO -0.09 0.58 -0.33 0.25 -0.34 0.00 0.00 178.44 178.51 3kcu h LEU 131 N 1.01 0.59 -1.10 2.25 5.85 -1.12 -0.92 115.31 121.86 3kcu h LEU 131 Ca 0.35 -0.55 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 3kcu h LEU 131 Cb 0.07 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 3kcu h LEU 131 CO -0.14 1.02 0.46 0.24 -0.34 0.00 0.00 178.44 179.68 3kcu h MET 132 N 0.17 1.08 -0.44 1.25 2.86 -0.90 0.06 114.93 119.00 3kcu h MET 132 Ca 0.01 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 3kcu h MET 132 Cb 0.92 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 3kcu h MET 132 CO 0.07 0.77 0.13 2.35 1.06 0.00 0.00 176.91 181.29 3kcu h TRP 133 N 1.09 0.72 0.00 -0.22 2.91 -0.68 -2.90 115.95 116.88 3kcu h TRP 133 Ca 0.28 -0.08 -0.05 0.00 1.13 0.00 0.00 58.89 60.18 3kcu h TRP 133 Cb -0.02 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 28.42 3kcu h TRP 133 CO 0.01 0.66 -0.22 -0.07 -1.03 0.00 0.00 178.44 177.79 3kcu h LEU 134 N 0.58 0.00 -1.32 0.65 3.38 -0.70 -2.72 115.31 115.19 3kcu h LEU 134 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3kcu h LEU 134 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3kcu h LEU 134 CO -0.00 0.22 0.00 0.77 0.09 0.00 0.00 178.44 179.51 3kcu h SER 135 N 0.00 0.00 0.00 -0.43 4.64 -0.78 -3.46 113.55 113.52 3kcu h SER 135 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kcu h SER 135 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 3kcu h SER 135 CO 0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 3kcu n GLY 136 N -0.30 0.36 0.35 -0.77 0.00 -1.03 -4.91 105.19 98.89 3kcu n GLY 136 Ca 0.01 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 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 0.73 0.00 0.00 1.61 4.57 -1.82 -2.61 114.58 117.06 3kcu h GLU 137 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3kcu h GLU 137 Cb 0.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 3kcu h GLU 137 CO 0.00 0.00 0.02 0.10 -1.18 0.00 0.00 179.01 177.95 3kcu h TYR 138 N 0.00 0.00 -0.00 0.92 -0.00 -1.91 0.42 116.97 116.40 3kcu h TYR 138 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.91 3kcu h TYR 138 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.46 3kcu h TYR 138 CO 0.00 0.00 -0.34 -1.33 -0.00 0.00 0.00 178.16 176.49 3kcu n MET 139 N -2.65 0.11 -1.58 0.10 2.81 -0.98 -1.56 117.12 113.38 3kcu n MET 139 Ca -0.02 -0.06 -0.42 0.00 -1.81 0.00 0.00 57.70 55.39 3kcu n MET 139 Cb 0.07 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.08 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 -1.39 2.20 -3.66 2.03 -1.04 0.14 -1.11 114.28 111.44 3kcu n THR 140 Ca 0.07 -0.50 -0.24 0.00 -2.04 0.00 0.00 64.05 61.34 3kcu n THR 140 Cb 0.33 -1.01 0.06 0.00 -1.82 0.00 0.00 70.33 67.89 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 -0.31 -1.59 -3.49 2.41 0.00 -1.26 -1.82 120.51 114.45 3kcu n ALA 141 Ca 0.10 0.15 -0.23 0.00 0.00 0.00 0.00 53.44 53.45 3kcu n ALA 141 Cb 0.37 -3.94 0.07 0.00 0.00 0.00 0.00 19.45 15.95 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 -3.00 -6.28 0.00 0.00 5.15 -0.98 -1.66 115.26 108.49 3kcu n ASN 142 Ca -0.10 -0.49 0.00 0.00 -0.60 0.00 0.00 54.58 53.39 3kcu n ASN 142 Cb 0.60 -4.94 0.00 0.00 -0.53 0.00 0.00 39.78 34.91 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 -1.91 1.88 0.25 8.20 0.00 -0.26 -4.44 105.19 108.90 3kcu n GLY 143 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 -0.15 1.61 1.08 -0.93 0.12 115.11 119.61 3kcu h GLN 144 Ca 0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 3kcu h GLN 144 Cb 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 3kcu h GLN 144 CO 0.00 0.13 0.01 2.35 -0.95 0.00 0.00 178.83 180.38 3kcu h TRP 145 N 0.00 0.27 -0.54 2.96 7.01 -1.54 -0.38 115.95 123.74 3kcu h TRP 145 Ca -0.00 -0.04 -0.11 0.00 2.11 0.00 0.00 58.89 60.85 3kcu h TRP 145 Cb 0.29 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.26 3kcu h TRP 145 CO 0.00 0.45 -0.08 0.78 -2.79 0.00 0.00 178.44 176.80 3kcu h GLY 146 N 0.02 1.08 0.90 2.65 0.00 -0.36 -2.29 103.07 105.07 3kcu h GLY 146 Ca 0.04 -0.86 0.03 0.00 0.00 0.00 0.00 47.33 46.54 3kcu h GLY 146 CO 0.00 0.79 0.59 -2.00 0.00 0.00 0.00 176.54 175.92 3kcu h LEU 147 N 0.88 0.99 -0.63 3.11 5.85 -0.75 -0.99 115.31 123.77 3kcu h LEU 147 Ca 0.14 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.90 3kcu h LEU 147 Cb 0.64 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 3kcu h LEU 147 CO 0.04 0.68 0.35 -1.13 -0.34 0.00 0.00 178.44 178.05 3kcu h ASN 148 N 1.15 0.53 0.10 1.25 -0.73 -0.64 -1.37 115.58 115.88 3kcu h ASN 148 Ca 0.35 0.02 -0.00 0.00 1.87 0.00 0.00 56.30 58.54 3kcu h ASN 148 Cb -0.02 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.48 3kcu h ASN 148 CO -0.11 0.35 -0.05 0.58 -0.37 0.00 0.00 177.43 177.84 3kcu h VAL 149 N 0.67 0.98 -0.48 2.57 2.07 -0.86 -1.97 116.25 119.22 3kcu h VAL 149 Ca 0.27 -0.28 0.09 0.00 0.82 0.00 0.00 66.70 67.60 3kcu h VAL 149 Cb 0.14 1.16 -0.10 0.00 -1.52 0.00 0.00 31.29 30.97 3kcu h VAL 149 CO -0.16 0.07 -0.28 -0.07 0.02 0.00 0.00 177.57 177.15 3kcu h LEU 150 N -0.26 -0.95 -0.85 2.57 3.38 -0.89 0.63 115.31 118.94 3kcu h LEU 150 Ca -0.01 0.19 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 3kcu h LEU 150 Cb 0.22 0.48 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3kcu h LEU 150 CO 0.02 -0.28 -0.46 1.56 0.09 0.00 0.00 178.44 179.37 3kcu h GLN 151 N -0.17 0.26 0.01 1.13 4.20 -1.23 0.56 115.11 119.87 3kcu h GLN 151 Ca 0.21 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 3kcu h GLN 151 Cb 0.51 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.30 3kcu h GLN 151 CO -0.58 0.67 -0.00 1.15 -0.67 0.00 0.00 178.83 179.40 3kcu h THR 152 N 0.21 1.36 -0.64 -0.54 2.02 -0.88 -1.99 112.91 112.46 3kcu h THR 152 Ca 0.01 -1.12 0.05 0.00 0.77 0.00 0.00 66.41 66.13 3kcu h THR 152 Cb 0.90 2.12 -0.05 0.00 -1.74 0.00 0.00 68.15 69.38 3kcu h THR 152 CO 0.07 0.29 0.36 0.00 0.37 0.00 0.00 175.52 176.61 3kcu h ALA 153 N 0.49 0.85 -0.29 6.16 0.00 -0.80 -2.84 119.26 122.84 3kcu h ALA 153 Ca -0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3kcu h ALA 153 Cb 0.48 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3kcu h ALA 153 CO 0.00 0.04 0.04 0.22 0.00 0.00 0.00 179.25 179.55 3kcu h ASP 154 N 0.67 0.47 -1.01 0.00 3.58 -0.84 -1.30 116.42 117.99 3kcu h ASP 154 Ca 0.28 -0.27 0.25 0.00 0.42 0.00 0.00 57.03 57.71 3kcu h ASP 154 Cb 0.16 -0.12 -0.12 0.00 1.72 0.00 0.00 39.33 40.96 3kcu h ASP 154 CO -0.17 0.62 0.61 -0.74 -2.88 0.00 0.00 179.24 176.68 3kcu h HIS 155 N 0.30 0.97 0.00 0.28 2.76 -1.27 -2.08 115.15 116.11 3kcu h HIS 155 Ca 0.09 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 3kcu h HIS 155 Cb 0.36 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.04 3kcu h HIS 155 CO 0.03 0.07 0.00 1.63 -1.30 0.00 0.00 177.93 178.36 3kcu n LYS 156 N -4.84 0.05 -0.59 5.26 5.02 -0.50 -2.45 118.16 120.11 3kcu n LYS 156 Ca 0.27 0.17 0.07 0.00 -2.02 0.00 0.00 58.31 56.80 3kcu n LYS 156 Cb 0.76 -1.57 0.30 0.00 -0.02 0.00 0.00 35.03 34.49 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 -1.65 2.45 -0.74 -0.18 0.24 -0.78 -4.50 118.33 113.17 3kcu n VAL 157 Ca 0.05 -1.78 0.07 0.00 -2.04 0.00 0.00 64.34 60.64 3kcu n VAL 157 Cb 0.27 -0.27 0.13 0.00 -1.47 0.00 0.00 33.84 32.50 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 -0.24 0.18 -2.64 6.34 8.25 -1.02 -4.94 115.22 121.15 3kcu n HIS 158 Ca 0.24 -0.83 -0.33 0.00 -0.26 0.00 0.00 57.72 56.55 3kcu n HIS 158 Cb 1.00 -0.14 -0.05 0.00 1.12 0.00 0.00 29.99 31.91 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 -2.29 3.36 0.89 4.41 3.76 -1.26 -5.07 115.29 119.08 3kcu s HIS 159 Ca 0.25 1.55 -0.11 0.00 -0.15 0.00 0.00 55.06 56.60 3kcu s HIS 159 Cb 0.21 -2.83 0.12 0.00 1.11 0.00 0.00 32.58 31.19 3kcu s HIS 159 CO 0.04 -0.24 1.09 0.95 -0.85 0.00 0.00 174.74 175.74 3kcu s THR 160 N -2.36 2.70 0.16 1.30 -4.23 -1.26 -4.83 115.64 107.12 3kcu s THR 160 Ca 0.61 0.23 -0.16 0.00 -1.18 0.00 0.00 61.69 61.18 3kcu s THR 160 Cb -0.10 -2.61 0.02 0.00 1.34 0.00 0.00 72.50 71.16 3kcu s THR 160 CO 0.21 -0.30 1.76 0.15 -0.54 0.00 0.00 174.62 175.90 3kcu h PHE 161 N -1.58 0.26 -0.44 3.99 3.57 -1.96 -0.21 116.94 120.58 3kcu h PHE 161 Ca -0.48 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.04 3kcu h PHE 161 Cb 1.27 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.93 3kcu h PHE 161 CO 0.46 0.12 0.28 0.82 -2.23 0.00 0.00 178.31 177.76 3kcu h ILE 162 N 0.31 1.13 -0.43 1.41 2.04 -1.99 -0.94 117.51 119.04 3kcu h ILE 162 Ca 0.16 -0.28 0.04 0.00 1.00 0.00 0.00 64.86 65.79 3kcu h ILE 162 Cb 0.12 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 3kcu h ILE 162 CO -0.15 0.13 0.19 -0.33 0.00 0.00 0.00 178.15 177.98 3kcu h GLU 163 N 0.59 0.37 -0.55 2.37 5.08 -1.83 -0.35 114.58 120.26 3kcu h GLU 163 Ca 0.16 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 3kcu h GLU 163 Cb -0.03 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3kcu h GLU 163 CO -0.03 0.24 0.07 0.00 -1.00 0.00 0.00 179.01 178.30 3kcu h ALA 164 N 1.25 0.73 -0.44 3.43 0.00 -0.57 0.20 119.26 123.85 3kcu h ALA 164 Ca 0.19 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3kcu h ALA 164 Cb 0.14 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3kcu h ALA 164 CO -0.16 0.48 0.23 0.28 0.00 0.00 0.00 179.25 180.08 3kcu h VAL 165 N 0.80 0.99 -0.39 0.00 2.07 -0.84 0.27 116.25 119.15 3kcu h VAL 165 Ca 0.16 -0.16 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 3kcu h VAL 165 Cb 0.43 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3kcu h VAL 165 CO 0.01 0.08 -0.16 0.00 0.02 0.00 0.00 177.57 177.52 3kcu h LEU 167 N 0.61 0.43 -0.41 0.00 3.38 -0.50 0.28 115.31 119.09 3kcu h LEU 167 Ca 0.09 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.88 3kcu h LEU 167 Cb 0.71 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 3kcu h LEU 167 CO 0.05 0.32 -0.46 1.23 0.09 0.00 0.00 178.44 179.68 3kcu h GLY 168 N 0.52 0.91 0.98 0.83 0.00 -0.37 -1.33 103.07 104.61 3kcu h GLY 168 Ca 0.13 -0.98 -0.01 0.00 0.00 0.00 0.00 47.33 46.48 3kcu h GLY 168 CO -0.03 0.88 0.24 -2.22 0.00 0.00 0.00 176.54 175.42 3kcu h ILE 169 N 0.66 1.14 -0.53 2.60 2.04 -0.09 -2.75 117.51 120.59 3kcu h ILE 169 Ca 0.04 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 3kcu h ILE 169 Cb 1.04 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 3kcu h ILE 169 CO 0.10 0.15 0.17 -0.07 0.00 0.00 0.00 178.15 178.50 3kcu h LEU 170 N 0.55 0.77 -0.26 1.44 3.38 -0.82 -2.05 115.31 118.31 3kcu h LEU 170 Ca 0.15 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3kcu h LEU 170 Cb 0.03 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3kcu h LEU 170 CO -0.03 0.77 0.10 0.00 0.09 0.00 0.00 178.44 179.37 3kcu h ALA 171 N 1.03 0.34 0.00 1.53 0.00 -1.26 -3.05 119.26 117.86 3kcu h ALA 171 Ca 0.17 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3kcu h ALA 171 Cb 0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3kcu h ALA 171 CO -0.01 -0.04 -0.49 -0.97 0.00 0.00 0.00 179.25 177.74 3kcu h ASN 172 N 0.27 0.00 -0.32 0.00 -1.24 -1.40 -1.78 115.58 111.11 3kcu h ASN 172 Ca 0.09 0.00 0.06 0.00 0.71 0.00 0.00 56.30 57.16 3kcu h ASN 172 Cb 0.21 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.20 3kcu h ASN 172 CO -0.01 0.49 -0.07 -0.07 -1.29 0.00 0.00 177.43 176.48 3kcu h LEU 173 N 0.00 -0.28 -0.59 0.34 3.38 -1.34 0.22 115.31 117.03 3kcu h LEU 173 Ca -0.00 0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 3kcu h LEU 173 Cb 1.10 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 3kcu h LEU 173 CO 0.06 -0.10 -0.30 0.24 0.09 0.00 0.00 178.44 178.43 3kcu h MET 174 N 0.01 0.80 -0.02 1.13 2.86 -1.31 -1.24 114.93 117.15 3kcu h MET 174 Ca 0.15 -0.36 -0.00 0.00 -2.06 0.00 0.00 59.70 57.42 3kcu h MET 174 Cb 0.23 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 3kcu h MET 174 CO -0.32 0.99 0.00 0.28 1.06 0.00 0.00 176.91 178.92 3kcu h VAL 175 N 0.68 1.24 -0.69 -2.22 2.07 -1.19 -1.25 116.25 114.88 3kcu h VAL 175 Ca 0.08 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 3kcu h VAL 175 Cb 0.84 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 32.26 3kcu h VAL 175 CO 0.07 0.19 0.21 0.00 0.02 0.00 0.00 177.57 178.06 3kcu h LEU 177 N 1.03 0.78 -0.30 0.00 3.38 -1.18 -0.75 115.31 118.27 3kcu h LEU 177 Ca 0.22 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3kcu h LEU 177 Cb 0.30 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3kcu h LEU 177 CO -0.01 0.81 -0.01 0.00 0.09 0.00 0.00 178.44 179.33 3kcu h ALA 178 N 1.28 0.40 -0.63 1.53 0.00 -0.78 -0.94 119.26 120.13 3kcu h ALA 178 Ca 0.16 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3kcu h ALA 178 Cb 0.39 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3kcu h ALA 178 CO 0.01 0.16 0.06 0.28 0.00 0.00 0.00 179.25 179.76 3kcu h VAL 179 N 0.32 1.26 0.05 0.00 2.07 -1.23 0.42 116.25 119.14 3kcu h VAL 179 Ca 0.08 -1.07 0.01 0.00 0.82 0.00 0.00 66.70 66.54 3kcu h VAL 179 Cb 0.45 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3kcu h VAL 179 CO 0.02 0.40 -0.08 -0.25 0.02 0.00 0.00 177.57 177.67 3kcu h TRP 180 N 0.98 -0.20 -0.64 1.57 2.91 -0.95 -1.60 115.95 118.01 3kcu h TRP 180 Ca 0.19 0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.25 3kcu h TRP 180 Cb 0.48 0.08 -0.04 0.00 -0.51 0.00 0.00 29.16 29.17 3kcu h TRP 180 CO 0.03 -0.12 0.38 0.52 -1.03 0.00 0.00 178.44 178.22 3kcu h MET 181 N -0.16 0.72 -0.81 2.65 2.86 -0.95 -2.26 114.93 116.98 3kcu h MET 181 Ca 0.02 -0.04 0.14 0.00 -2.06 0.00 0.00 59.70 57.75 3kcu h MET 181 Cb 0.18 -0.16 -0.06 0.00 0.06 0.00 0.00 31.60 31.61 3kcu h MET 181 CO -0.05 0.48 0.53 1.03 1.06 0.00 0.00 176.91 179.96 3kcu h SER 182 N 0.74 0.52 0.92 1.22 0.87 -0.45 -1.37 113.55 115.99 3kcu h SER 182 Ca 0.26 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 3kcu h SER 182 Cb 0.06 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 3kcu h SER 182 CO -0.12 0.27 0.00 -1.22 -0.53 0.00 0.00 176.83 175.23 3kcu n TYR 183 N -4.52 0.61 1.28 2.24 4.01 -0.65 -1.70 117.16 118.45 3kcu n TYR 183 Ca 0.16 0.22 0.12 0.00 -0.16 0.00 0.00 57.90 58.23 3kcu n TYR 183 Cb 0.49 -0.85 0.42 0.00 -0.31 0.00 0.00 39.34 39.08 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 -2.04 1.71 -4.86 7.72 3.41 -0.52 -4.94 113.62 114.11 3kcu n SER 184 Ca 0.04 -1.65 -0.31 0.00 -0.26 0.00 0.00 58.87 56.69 3kcu n SER 184 Cb 0.28 -0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.13 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 -1.73 1.99 -0.05 5.00 0.00 -0.69 -5.02 107.32 106.82 3kcu s GLY 185 Ca 0.35 -0.06 -0.00 0.00 0.00 0.00 0.00 44.72 45.00 3kcu s GLY 185 CO 0.29 0.16 -0.05 0.54 0.00 0.00 0.00 173.10 174.04 3kcu n ARG 186 N -1.40 0.13 -2.36 2.90 1.74 -1.26 -4.86 116.66 111.55 3kcu n ARG 186 Ca 0.04 0.04 -0.25 0.00 -0.77 0.00 0.00 57.85 56.91 3kcu n ARG 186 Cb 0.54 -1.01 0.05 0.00 -1.02 0.00 0.00 32.46 31.02 3kcu n ARG 186 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3kcu s SER 187 N -4.76 5.09 0.14 0.55 1.04 -1.26 -4.97 113.70 109.53 3kcu s SER 187 Ca -0.07 0.40 -0.12 0.00 0.48 0.00 0.00 55.95 56.63 3kcu s SER 187 Cb 0.02 -1.18 -0.01 0.00 0.10 0.00 0.00 66.02 64.95 3kcu s SER 187 CO 0.12 -1.37 1.55 0.25 0.98 0.00 0.00 173.24 174.77 3kcu h LEU 188 N -0.35 0.89 -0.38 2.42 5.85 -1.99 -2.28 115.31 119.48 3kcu h LEU 188 Ca -0.44 -0.37 0.08 0.00 0.84 0.00 0.00 57.88 57.99 3kcu h LEU 188 Cb 1.30 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 42.01 3kcu h LEU 188 CO 0.59 1.05 -0.11 0.24 -0.34 0.00 0.00 178.44 179.86 3kcu h MET 189 N 0.72 -0.03 -0.01 1.25 2.86 -1.99 -1.54 114.93 116.20 3kcu h MET 189 Ca 0.11 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.78 3kcu h MET 189 Cb 0.67 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.28 3kcu h MET 189 CO 0.05 -0.02 -0.50 -0.44 1.06 0.00 0.00 176.91 177.06 3kcu h ASP 190 N -0.03 -1.56 -0.13 1.22 3.32 -1.90 0.11 116.42 117.45 3kcu h ASP 190 Ca 0.18 0.18 -0.09 0.00 0.02 0.00 0.00 57.03 57.32 3kcu h ASP 190 Cb 0.31 0.60 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 3kcu h ASP 190 CO -0.40 -0.50 -0.20 0.11 -1.72 0.00 0.00 179.24 176.52 3kcu h LYS 191 N -0.64 0.55 0.00 3.56 1.57 -1.18 -2.39 116.57 118.04 3kcu h LYS 191 Ca 0.03 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 3kcu h LYS 191 Cb 0.70 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 3kcu h LYS 191 CO -0.36 0.72 -0.16 0.00 -0.57 0.00 0.00 179.45 179.08 3kcu h ALA 192 N 1.29 0.02 0.00 3.86 0.00 -1.21 -3.40 119.26 119.83 3kcu h ALA 192 Ca 0.08 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3kcu h ALA 192 Cb 0.62 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3kcu h ALA 192 CO 0.04 0.11 -0.07 0.74 0.00 0.00 0.00 179.25 180.08 3kcu h PHE 193 N -1.00 0.00 0.00 0.00 0.04 -0.81 -2.17 116.94 113.00 3kcu h PHE 193 Ca -0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.74 3kcu h PHE 193 Cb 0.54 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.69 3kcu h PHE 193 CO 0.09 0.07 0.00 0.97 -0.60 0.00 0.00 178.31 178.84 3kcu h ILE 194 N 0.00 0.00 0.00 -0.55 6.09 -1.58 -2.61 117.51 118.86 3kcu h ILE 194 Ca -0.00 -0.31 0.00 0.00 -1.37 0.00 0.00 64.86 63.17 3kcu h ILE 194 Cb 0.75 1.21 0.00 0.00 0.47 0.00 0.00 36.82 39.25 3kcu h ILE 194 CO 0.01 0.00 -0.68 0.23 -3.07 0.00 0.00 178.15 174.64 3kcu n MET 195 N -2.83 0.09 0.29 2.19 2.81 -0.82 -4.46 117.12 114.39 3kcu n MET 195 Ca 0.00 0.01 -0.16 0.00 -1.81 0.00 0.00 57.70 55.74 3kcu n MET 195 Cb 0.22 -1.54 -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 0.49 0.23 2.03 2.07 -1.56 -2.51 116.25 117.00 3kcu h VAL 196 Ca 0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.44 3kcu h VAL 196 Cb 0.57 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3kcu h VAL 196 CO 0.00 0.01 -0.21 -0.07 0.02 0.00 0.00 177.57 177.33 3kcu h LEU 197 N -0.74 -0.55 -1.22 2.57 4.07 -1.78 0.12 115.31 117.78 3kcu h LEU 197 Ca -0.07 0.05 -0.07 0.00 0.08 0.00 0.00 57.88 57.87 3kcu h LEU 197 Cb 0.55 0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.46 3kcu h LEU 197 CO 0.12 -0.31 -0.20 1.55 -1.08 0.00 0.00 178.44 178.51 3kcu h PRO 198 N -0.46 0.29 -0.03 1.13 0.13 -1.80 0.08 132.00 131.34 3kcu h PRO 198 Ca -0.01 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 3kcu h PRO 198 Cb 0.42 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.52 3kcu h PRO 198 CO -0.04 0.49 -0.02 0.28 -0.23 0.00 0.00 178.00 178.48 3kcu h VAL 199 N 0.27 1.37 -0.25 1.56 2.07 -1.24 -2.88 116.25 117.14 3kcu h VAL 199 Ca 0.05 -1.13 0.05 0.00 0.82 0.00 0.00 66.70 66.48 3kcu h VAL 199 Cb 0.51 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 3kcu h VAL 199 CO 0.03 0.30 0.18 0.00 0.02 0.00 0.00 177.57 178.10 3kcu h ALA 200 N 0.55 2.09 -0.02 1.67 0.00 -0.48 -1.58 119.26 121.50 3kcu h ALA 200 Ca 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kcu h ALA 200 Cb 0.50 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3kcu h ALA 200 CO 0.01 -0.15 0.00 1.98 0.00 0.00 0.00 179.25 181.09 3kcu h MET 201 N 0.12 0.03 -0.43 0.00 -1.53 -0.90 0.31 114.93 112.53 3kcu h MET 201 Ca 0.11 -0.01 -0.14 0.00 -3.44 0.00 0.00 59.70 56.23 3kcu h MET 201 Cb 0.31 -0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.34 3kcu h MET 201 CO -0.01 0.26 -0.26 0.27 0.14 0.00 0.00 176.91 177.31 3kcu h PHE 202 N -0.21 1.09 0.00 1.39 -5.15 -1.20 -2.25 116.94 110.60 3kcu h PHE 202 Ca 0.01 -0.29 -0.00 0.00 -0.20 0.00 0.00 57.97 57.49 3kcu h PHE 202 Cb 0.25 -0.24 0.00 0.00 0.22 0.00 0.00 35.95 36.17 3kcu h PHE 202 CO 0.01 1.10 -0.00 0.28 -2.00 0.00 0.00 178.31 177.70 3kcu h VAL 203 N 0.76 1.36 -0.22 0.88 2.07 -1.24 -0.87 116.25 118.99 3kcu h VAL 203 Ca 0.09 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 3kcu h VAL 203 Cb 0.84 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 3kcu h VAL 203 CO 0.07 0.27 0.11 0.00 0.02 0.00 0.00 177.57 178.05 3kcu h ALA 204 N 0.55 1.78 0.00 1.67 0.00 -0.42 -1.59 119.26 121.25 3kcu h ALA 204 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kcu h ALA 204 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3kcu h ALA 204 CO 0.00 0.19 0.00 0.43 0.00 0.00 0.00 179.25 179.87 3kcu n SER 205 N -4.46 0.00 -0.60 0.00 7.64 -0.85 -4.80 113.62 110.55 3kcu n SER 205 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.82 3kcu n SER 205 Cb 0.11 -0.33 -0.02 0.00 -1.01 0.00 0.00 64.21 62.96 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 1.27 0.59 3.71 0.23 0.00 -0.60 -5.03 105.19 105.36 3kcu n GLY 206 Ca 0.12 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.28 2.24 -0.23 1.61 0.08 -0.36 -5.00 117.98 114.04 3kcu s PHE 207 Ca 0.00 1.35 -0.02 0.00 0.12 0.00 0.00 56.93 58.38 3kcu s PHE 207 Cb 0.00 -3.15 0.01 0.00 -0.57 0.00 0.00 43.02 39.31 3kcu s PHE 207 CO 0.00 -2.42 -0.08 -1.21 -0.10 0.00 0.00 175.22 171.42 3kcu s GLU 208 N -4.87 3.03 -0.18 0.44 0.41 -0.65 -4.81 118.70 112.05 3kcu s GLU 208 Ca 0.64 -0.85 -0.02 0.00 -0.41 0.00 0.00 54.97 54.33 3kcu s GLU 208 Cb -0.19 -2.93 -0.01 0.00 -1.78 0.00 0.00 34.13 29.22 3kcu s GLU 208 CO 0.57 -0.31 -0.10 -1.58 -0.49 0.00 0.00 175.26 173.36 3kcu s HIS 209 N 1.37 2.88 0.20 1.61 5.65 -1.26 -3.85 115.29 121.89 3kcu s HIS 209 Ca 0.03 -0.92 -0.11 0.00 0.25 0.00 0.00 55.06 54.31 3kcu s HIS 209 Cb -0.15 -1.98 0.13 0.00 -1.18 0.00 0.00 32.58 29.39 3kcu s HIS 209 CO -0.05 -0.45 1.86 0.66 -0.65 0.00 0.00 174.74 176.10 3kcu h SER 210 N 7.54 0.80 -0.12 9.88 4.64 -1.94 -1.72 113.55 132.63 3kcu h SER 210 Ca -0.36 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 60.89 3kcu h SER 210 Cb 1.18 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3kcu h SER 210 CO 0.59 0.59 -0.05 0.40 -0.87 0.00 0.00 176.83 177.49 3kcu h ILE 211 N 0.93 1.32 -0.84 0.95 1.08 -1.97 -2.07 117.51 116.91 3kcu h ILE 211 Ca 0.25 -1.08 0.19 0.00 -0.39 0.00 0.00 64.86 63.83 3kcu h ILE 211 Cb -0.08 1.79 -0.11 0.00 -3.07 0.00 0.00 36.82 35.34 3kcu h ILE 211 CO -0.05 0.31 0.35 0.00 -0.69 0.00 0.00 178.15 178.07 3kcu h ALA 212 N 0.65 1.27 0.00 1.87 0.00 -1.88 0.32 119.26 121.50 3kcu h ALA 212 Ca 0.03 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3kcu h ALA 212 Cb 0.51 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3kcu h ALA 212 CO 0.02 -0.28 -0.06 -0.91 0.00 0.00 0.00 179.25 178.02 3kcu h ASN 213 N 0.42 0.00 0.42 0.00 2.35 -0.98 -1.78 115.58 116.01 3kcu h ASN 213 Ca 0.50 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.21 3kcu h ASN 213 Cb 0.87 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.23 3kcu h ASN 213 CO -0.48 0.06 -0.19 0.24 -1.65 0.00 0.00 177.43 175.41 3kcu h MET 214 N 0.00 0.00 0.00 0.81 2.86 -0.23 -1.54 114.93 116.83 3kcu h MET 214 Ca -0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3kcu h MET 214 Cb 0.52 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.18 3kcu h MET 214 CO 0.01 0.19 -0.27 0.35 1.06 0.00 0.00 176.91 178.25 3kcu h PHE 215 N 0.00 0.00 -0.02 -0.22 3.57 -1.31 -3.40 116.94 115.56 3kcu h PHE 215 Ca -0.00 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 3kcu h PHE 215 Cb 0.45 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 3kcu h PHE 215 CO 0.00 0.37 -0.07 1.98 -2.23 0.00 0.00 178.31 178.35 3kcu h MET 216 N -1.00 -0.11 -0.03 1.11 4.05 -1.19 -0.41 114.93 117.34 3kcu h MET 216 Ca -0.04 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.37 3kcu h MET 216 Cb 0.47 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.30 3kcu h MET 216 CO -0.02 -0.08 -0.06 0.82 0.23 0.00 0.00 176.91 177.80 3kcu h ILE 217 N -0.12 1.43 -0.84 1.77 2.04 -1.56 -1.92 117.51 118.32 3kcu h ILE 217 Ca 0.04 -1.37 0.09 0.00 1.00 0.00 0.00 64.86 64.62 3kcu h ILE 217 Cb 0.17 2.27 -0.06 0.00 -0.74 0.00 0.00 36.82 38.47 3kcu h ILE 217 CO -0.09 0.37 0.54 -0.65 0.00 0.00 0.00 178.15 178.32 3kcu h PRO 218 N -0.43 0.78 -0.63 2.37 0.11 -1.72 0.19 132.00 132.68 3kcu h PRO 218 Ca 0.00 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 66.12 3kcu h PRO 218 Cb 0.63 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 31.51 3kcu h PRO 218 CO 0.01 0.52 0.34 1.98 -0.21 0.00 0.00 178.00 180.64 3kcu h MET 219 N 0.81 0.62 -0.50 1.05 4.05 -0.86 0.61 114.93 120.69 3kcu h MET 219 Ca 0.38 -0.04 -0.09 0.00 -0.28 0.00 0.00 59.70 59.67 3kcu h MET 219 Cb 0.42 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.06 3kcu h MET 219 CO -0.15 0.41 -0.05 0.78 0.23 0.00 0.00 176.91 178.13 3kcu h GLY 220 N 0.64 1.00 1.01 1.39 0.00 -0.50 -1.17 103.07 105.44 3kcu h GLY 220 Ca 0.28 -0.77 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 3kcu h GLY 220 CO -0.18 0.71 0.42 -2.22 0.00 0.00 0.00 176.54 175.26 3kcu h ILE 221 N 0.78 1.23 -0.37 2.60 2.04 -0.68 -0.48 117.51 122.64 3kcu h ILE 221 Ca 0.14 -0.58 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 3kcu h ILE 221 Cb 0.59 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 3kcu h ILE 221 CO 0.04 0.26 0.07 0.58 0.00 0.00 0.00 178.15 179.09 3kcu h VAL 222 N 1.06 1.23 -0.47 1.67 2.07 -0.67 -0.90 116.25 120.26 3kcu h VAL 222 Ca 0.27 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 3kcu h VAL 222 Cb 0.04 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3kcu h VAL 222 CO -0.04 0.28 0.15 0.40 0.02 0.00 0.00 177.57 178.38 3kcu h ILE 223 N 0.45 1.22 -0.16 4.57 2.04 -1.03 -0.72 117.51 123.88 3kcu h ILE 223 Ca 0.11 -0.74 0.03 0.00 1.00 0.00 0.00 64.86 65.27 3kcu h ILE 223 Cb 0.34 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 3kcu h ILE 223 CO 0.01 0.27 -0.02 -0.09 0.00 0.00 0.00 178.15 178.31 3kcu h ARG 224 N 0.62 0.02 0.00 2.37 2.43 -0.97 0.14 114.38 118.99 3kcu h ARG 224 Ca 0.15 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.23 3kcu h ARG 224 Cb 0.26 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 3kcu h ARG 224 CO -0.01 0.02 -0.44 -0.44 -1.51 0.00 0.00 179.97 177.59 3kcu h ASP 225 N 0.02 0.00 0.00 -3.80 5.19 -0.89 -3.36 116.42 113.58 3kcu h ASP 225 Ca 0.08 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 3kcu h ASP 225 Cb 0.11 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.62 3kcu h ASP 225 CO -0.15 0.44 0.00 0.49 -3.12 0.00 0.00 179.24 176.91 3kcu n PHE 226 N -3.58 0.00 -1.56 4.55 3.72 -0.30 -5.05 117.46 115.23 3kcu n PHE 226 Ca -0.00 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.94 3kcu n PHE 226 Cb 0.55 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.07 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 -0.44 -0.63 -1.29 4.37 0.00 0.46 -4.98 120.51 118.01 3kcu n ALA 227 Ca 0.00 0.40 -0.30 0.00 0.00 0.00 0.00 53.44 53.54 3kcu n ALA 227 Cb 0.02 -1.96 0.13 0.00 0.00 0.00 0.00 19.45 17.64 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 -0.59 3.71 0.32 0.00 1.04 -1.26 -4.94 113.70 111.97 3kcu s SER 228 Ca 0.60 1.44 0.05 0.00 0.48 0.00 0.00 55.95 58.52 3kcu s SER 228 Cb -0.74 -2.13 0.53 0.00 0.10 0.00 0.00 66.02 63.78 3kcu s SER 228 CO 0.59 -2.48 1.78 -0.65 0.98 0.00 0.00 173.24 173.45 3kcu h PRO 229 N -1.44 0.37 -0.94 4.02 0.11 -2.01 -2.61 132.00 129.50 3kcu h PRO 229 Ca -0.49 -0.13 0.12 0.00 0.11 0.00 0.00 66.00 65.61 3kcu h PRO 229 Cb 1.28 -0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.28 3kcu h PRO 229 CO 0.56 0.58 0.57 1.49 -0.21 0.00 0.00 178.00 180.99 3kcu h GLU 230 N 0.33 0.87 0.65 1.05 4.81 -1.99 -1.56 114.58 118.74 3kcu h GLU 230 Ca 0.05 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3kcu h GLU 230 Cb 0.60 -0.20 0.01 0.00 0.63 0.00 0.00 28.75 29.79 3kcu h GLU 230 CO 0.04 0.58 -0.31 0.35 -0.73 0.00 0.00 179.01 178.94 3kcu h PHE 231 N 0.90 -0.81 -0.18 0.92 3.57 -1.83 0.06 116.94 119.56 3kcu h PHE 231 Ca 0.47 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.94 3kcu h PHE 231 Cb 0.47 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 3kcu h PHE 231 CO -0.03 -0.49 0.08 -1.49 -2.23 0.00 0.00 178.31 174.15 3kcu h TRP 232 N -0.91 0.24 0.35 0.41 4.06 -1.42 -0.23 115.95 118.44 3kcu h TRP 232 Ca -0.09 -0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.84 3kcu h TRP 232 Cb 0.68 -0.08 0.00 0.00 -1.00 0.00 0.00 29.16 28.77 3kcu h TRP 232 CO -0.02 0.20 -0.17 1.15 -3.56 0.00 0.00 178.44 176.04 3kcu h THR 233 N 0.25 0.54 -0.46 1.49 2.02 -1.22 0.44 112.91 115.97 3kcu h THR 233 Ca 0.07 -0.66 0.13 0.00 0.77 0.00 0.00 66.41 66.72 3kcu h THR 233 Cb 0.05 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 3kcu h THR 233 CO -0.01 0.10 0.33 0.00 0.37 0.00 0.00 175.52 176.32 3kcu h ALA 234 N -0.50 2.42 0.00 6.16 0.00 -0.33 -2.05 119.26 124.96 3kcu h ALA 234 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3kcu h ALA 234 Cb 0.53 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3kcu h ALA 234 CO 0.08 -0.57 -1.39 0.28 0.00 0.00 0.00 179.25 177.65 3kcu n VAL 235 N -4.38 0.00 -2.95 0.00 0.31 -0.16 -4.93 118.33 106.23 3kcu n VAL 235 Ca 0.08 -0.20 -0.11 0.00 -0.01 0.00 0.00 64.34 64.11 3kcu n VAL 235 Cb 0.54 0.60 0.03 0.00 -0.91 0.00 0.00 33.84 34.10 3kcu n VAL 235 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kcu n GLY 236 N 1.40 0.27 0.00 2.92 0.00 0.14 -5.00 105.19 104.93 3kcu n GLY 236 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.48 0.00 -3.47 1.61 2.88 -0.49 -5.04 113.62 108.63 3kcu n SER 237 Ca -0.00 -0.54 -0.12 0.00 -1.33 0.00 0.00 58.87 56.88 3kcu n SER 237 Cb 0.53 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.96 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 -1.62 -1.72 0.49 -1.46 0.00 -1.26 -4.60 121.76 111.58 3kcu s ALA 238 Ca 0.00 0.88 0.15 0.00 0.00 0.00 0.00 51.96 52.99 3kcu s ALA 238 Cb 0.00 0.46 1.16 0.00 0.00 0.00 0.00 23.12 24.74 3kcu s ALA 238 CO 0.00 -0.63 2.10 -1.35 0.00 0.00 0.00 175.76 175.88 3kcu h PRO 239 N 2.24 0.16 0.00 0.00 0.11 -1.98 -1.44 132.00 131.09 3kcu h PRO 239 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3kcu h PRO 239 Cb 1.25 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3kcu h PRO 239 CO 0.36 0.11 0.00 0.93 -0.21 0.00 0.00 178.00 179.18 3kcu h GLU 240 N 0.17 0.00 0.00 1.05 3.07 -1.97 -0.66 114.58 116.24 3kcu h GLU 240 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 3kcu h GLU 240 Cb 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 3kcu h GLU 240 CO -0.01 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.69 3kcu n ASN 241 N -3.07 0.00 -2.54 1.42 3.02 -0.54 -3.30 115.26 110.24 3kcu n ASN 241 Ca -0.01 -0.79 -0.11 0.00 -0.03 0.00 0.00 54.58 53.64 3kcu n ASN 241 Cb 0.21 -0.03 0.03 0.00 -0.61 0.00 0.00 39.78 39.39 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 -1.03 1.87 0.27 3.10 3.72 -0.25 -4.90 117.46 120.24 3kcu n PHE 242 Ca 0.20 -2.33 0.12 0.00 -0.05 0.00 0.00 57.45 55.39 3kcu n PHE 242 Cb 0.10 -0.27 0.78 0.00 -0.94 0.00 0.00 39.48 39.16 3kcu n PHE 242 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3kcu h SER 243 N 2.53 0.00 1.23 4.37 4.64 -1.62 -0.76 113.55 123.94 3kcu h SER 243 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3kcu h SER 243 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3kcu h SER 243 CO 0.45 0.00 0.00 0.45 -0.87 0.00 0.00 176.83 176.86 3kcu h HIS 244 N 0.00 0.00 -0.68 4.77 3.86 -1.91 -3.40 115.15 117.78 3kcu h HIS 244 Ca 0.01 0.00 -0.46 0.00 -1.16 0.00 0.00 60.37 58.76 3kcu h HIS 244 Cb 0.06 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.47 3kcu h HIS 244 CO 0.00 0.00 1.42 -0.51 0.86 0.00 0.00 177.93 179.70 3kcu s LEU 245 N -4.68 3.35 0.10 2.43 1.43 -0.29 -4.62 118.68 116.40 3kcu s LEU 245 Ca 0.08 -1.76 0.02 0.00 -1.03 0.00 0.00 54.13 51.44 3kcu s LEU 245 Cb 0.11 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 3kcu s LEU 245 CO 0.53 -2.29 -0.08 0.42 0.23 0.00 0.00 176.35 175.16 3kcu s THR 246 N 8.21 0.78 0.21 5.49 -4.23 -1.26 -4.76 115.64 120.07 3kcu s THR 246 Ca 0.62 -1.85 -0.09 0.00 -1.18 0.00 0.00 61.69 59.18 3kcu s THR 246 Cb 0.00 -1.59 0.14 0.00 1.34 0.00 0.00 72.50 72.39 3kcu s THR 246 CO 0.08 -0.78 1.76 0.58 -0.54 0.00 0.00 174.62 175.72 3kcu h VAL 247 N 3.12 0.83 -0.38 2.29 2.07 -1.98 -0.47 116.25 121.74 3kcu h VAL 247 Ca -0.36 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 3kcu h VAL 247 Cb 1.17 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3kcu h VAL 247 CO 0.61 0.09 0.06 -0.03 0.02 0.00 0.00 177.57 178.33 3kcu h MET 248 N 0.48 0.62 -0.51 1.57 1.85 -1.96 -1.71 114.93 115.27 3kcu h MET 248 Ca 0.30 -0.16 -0.05 0.00 -0.61 0.00 0.00 59.70 59.18 3kcu h MET 248 Cb 0.33 -0.07 -0.02 0.00 0.43 0.00 0.00 31.60 32.26 3kcu h MET 248 CO -0.27 0.68 0.13 -0.91 -0.40 0.00 0.00 176.91 176.14 3kcu h ASN 249 N 0.46 0.72 0.21 1.39 2.35 -1.75 -1.51 115.58 117.45 3kcu h ASN 249 Ca 0.11 -0.12 0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3kcu h ASN 249 Cb 0.36 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 3kcu h ASN 249 CO 0.01 0.71 -0.26 0.15 -1.65 0.00 0.00 177.43 176.39 3kcu h PHE 250 N 0.75 -0.69 0.09 1.19 3.57 -0.86 -0.81 116.94 120.19 3kcu h PHE 250 Ca 0.17 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 3kcu h PHE 250 Cb 0.27 0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.29 3kcu h PHE 250 CO 0.01 -0.37 -0.04 0.82 -2.23 0.00 0.00 178.31 176.50 3kcu h ILE 251 N -0.52 0.98 0.09 1.41 2.04 -0.99 -0.40 117.51 120.12 3kcu h ILE 251 Ca 0.01 -0.25 -0.27 0.00 1.00 0.00 0.00 64.86 65.34 3kcu h ILE 251 Cb 0.50 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 3kcu h ILE 251 CO -0.09 0.06 -1.33 0.71 0.00 0.00 0.00 178.15 177.51 3kcu h THR 252 N -0.23 1.38 0.00 -0.27 1.35 -1.31 -0.93 112.91 112.89 3kcu h THR 252 Ca -0.01 -3.02 0.00 0.00 -0.55 0.00 0.00 66.41 62.83 3kcu h THR 252 Cb 0.20 2.83 0.00 0.00 -1.73 0.00 0.00 68.15 69.44 3kcu h THR 252 CO 0.02 0.86 -1.10 0.47 -0.25 0.00 0.00 175.52 175.52 3kcu n ASP 253 N -3.44 0.67 0.10 5.36 10.43 -0.31 -4.56 116.55 124.81 3kcu n ASP 253 Ca -0.10 -0.50 0.00 0.00 2.57 0.00 0.00 54.79 56.76 3kcu n ASP 253 Cb 1.02 0.99 0.00 0.00 1.84 0.00 0.00 41.12 44.97 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 -1.77 0.42 0.12 -2.24 2.85 -0.89 -4.70 115.26 109.04 3kcu n ASN 254 Ca 0.02 0.33 -0.13 0.00 -0.11 0.00 0.00 54.58 54.69 3kcu n ASN 254 Cb 0.40 0.07 -0.08 0.00 1.24 0.00 0.00 39.78 41.41 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 -0.19 0.50 1.20 5.85 -0.89 0.20 115.31 121.98 3kcu h LEU 255 Ca 0.00 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3kcu h LEU 255 Cb 0.00 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3kcu h LEU 255 CO 0.00 -0.09 -0.47 0.40 -0.34 0.00 0.00 178.44 177.94 3kcu h ILE 256 N -0.28 0.07 -0.78 4.05 2.04 -1.43 0.10 117.51 121.29 3kcu h ILE 256 Ca -0.02 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 3kcu h ILE 256 Cb 0.22 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.34 3kcu h ILE 256 CO 0.04 0.00 0.27 -0.65 0.00 0.00 0.00 178.15 177.81 3kcu h PRO 257 N -0.97 1.18 -0.42 2.37 0.11 -1.78 -1.50 132.00 130.99 3kcu h PRO 257 Ca -0.06 -0.24 -0.06 0.00 0.11 0.00 0.00 66.00 65.76 3kcu h PRO 257 Cb 0.84 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.75 3kcu h PRO 257 CO -0.05 0.98 0.03 0.28 -0.21 0.00 0.00 178.00 179.04 3kcu h VAL 258 N 1.14 1.25 -0.35 3.15 2.07 -0.57 -1.71 116.25 121.24 3kcu h VAL 258 Ca 0.25 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 3kcu h VAL 258 Cb 0.27 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3kcu h VAL 258 CO -0.01 0.33 0.22 0.74 0.02 0.00 0.00 177.57 178.86 3kcu h THR 259 N 0.57 1.11 -0.54 2.57 2.02 -0.59 0.25 112.91 118.30 3kcu h THR 259 Ca 0.12 -0.24 0.07 0.00 0.77 0.00 0.00 66.41 67.14 3kcu h THR 259 Cb 0.44 0.64 -0.06 0.00 -1.74 0.00 0.00 68.15 67.43 3kcu h THR 259 CO 0.02 0.11 0.20 0.40 0.37 0.00 0.00 175.52 176.62 3kcu h ILE 260 N 0.46 0.82 -0.38 3.11 2.04 -1.24 -0.74 117.51 121.58 3kcu h ILE 260 Ca 0.13 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 3kcu h ILE 260 Cb -0.01 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 3kcu h ILE 260 CO -0.02 0.07 0.21 1.23 0.00 0.00 0.00 178.15 179.63 3kcu h GLY 261 N 0.39 0.57 0.45 5.37 0.00 -0.74 0.40 103.07 109.51 3kcu h GLY 261 Ca 0.26 -0.26 0.06 0.00 0.00 0.00 0.00 47.33 47.39 3kcu h GLY 261 CO -0.26 0.25 -0.02 3.43 0.00 0.00 0.00 176.54 179.94 3kcu h ASN 262 N 0.49 -0.18 -0.41 0.19 -0.26 -0.14 0.17 115.58 115.44 3kcu h ASN 262 Ca 0.13 0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.96 3kcu h ASN 262 Cb 0.06 0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.45 3kcu h ASN 262 CO -0.02 -0.05 0.27 0.40 -1.06 0.00 0.00 177.43 176.97 3kcu h ILE 263 N 0.06 1.11 -0.67 2.81 2.04 -0.88 -1.30 117.51 120.68 3kcu h ILE 263 Ca 0.16 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 3kcu h ILE 263 Cb 0.22 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 3kcu h ILE 263 CO -0.28 0.10 0.26 0.40 0.00 0.00 0.00 178.15 178.63 3kcu h ILE 264 N 0.56 1.23 -0.05 -0.67 2.04 -0.45 0.13 117.51 120.30 3kcu h ILE 264 Ca 0.15 -0.74 -0.00 0.00 1.00 0.00 0.00 64.86 65.27 3kcu h ILE 264 Cb -0.06 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 3kcu h ILE 264 CO -0.03 0.30 0.02 1.23 0.00 0.00 0.00 178.15 179.67 3kcu h GLY 265 N 1.05 0.07 1.01 5.37 0.00 -0.28 0.23 103.07 110.52 3kcu h GLY 265 Ca 0.22 -0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.53 3kcu h GLY 265 CO -0.02 0.03 0.56 -1.33 0.00 0.00 0.00 176.54 175.78 3kcu h GLY 266 N -0.02 1.20 0.90 4.60 0.00 -1.07 -3.01 103.07 105.68 3kcu h GLY 266 Ca 0.02 -0.45 0.03 0.00 0.00 0.00 0.00 47.33 46.92 3kcu h GLY 266 CO -0.00 0.45 0.52 -1.33 0.00 0.00 0.00 176.54 176.17 3kcu h GLY 267 N 1.15 1.16 0.90 4.60 0.00 -0.23 -0.51 103.07 110.14 3kcu h GLY 267 Ca 0.31 -0.40 0.01 0.00 0.00 0.00 0.00 47.33 47.26 3kcu h GLY 267 CO -0.07 0.35 0.11 1.41 0.00 0.00 0.00 176.54 178.35 3kcu h LEU 268 N 1.02 0.17 -0.50 3.11 3.38 -0.84 -0.80 115.31 120.85 3kcu h LEU 268 Ca 0.32 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.19 3kcu h LEU 268 Cb -0.02 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3kcu h LEU 268 CO -0.10 0.13 -0.11 -0.07 0.09 0.00 0.00 178.44 178.38 3kcu h LEU 269 N 0.24 0.96 -0.88 1.67 3.38 -1.34 -1.09 115.31 118.25 3kcu h LEU 269 Ca 0.09 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 3kcu h LEU 269 Cb 0.02 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 3kcu h LEU 269 CO -0.07 1.10 0.38 0.58 0.09 0.00 0.00 178.44 180.52 3kcu h VAL 270 N 0.81 1.26 -0.38 1.22 2.07 -0.94 0.83 116.25 121.13 3kcu h VAL 270 Ca 0.13 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 3kcu h VAL 270 Cb 0.67 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3kcu h VAL 270 CO 0.05 0.31 0.08 1.23 0.02 0.00 0.00 177.57 179.27 3kcu h GLY 271 N 1.19 0.66 0.86 2.17 0.00 -0.90 -0.79 103.07 106.26 3kcu h GLY 271 Ca 0.28 -0.42 0.03 0.00 0.00 0.00 0.00 47.33 47.23 3kcu h GLY 271 CO -0.03 0.39 0.51 -2.00 0.00 0.00 0.00 176.54 175.40 3kcu h LEU 272 N 0.46 0.83 -0.51 3.11 5.85 -0.95 -2.93 115.31 121.18 3kcu h LEU 272 Ca 0.12 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 3kcu h LEU 272 Cb 0.32 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3kcu h LEU 272 CO 0.00 0.57 0.20 0.74 -0.34 0.00 0.00 178.44 179.61 3kcu h THR 273 N 0.98 1.22 -0.28 1.05 2.02 -0.39 -1.83 112.91 115.68 3kcu h THR 273 Ca 0.32 -0.68 0.07 0.00 0.77 0.00 0.00 66.41 66.89 3kcu h THR 273 Cb 0.03 0.70 -0.07 0.00 -1.74 0.00 0.00 68.15 67.06 3kcu h THR 273 CO -0.12 0.26 -0.24 1.88 0.37 0.00 0.00 175.52 177.67 3kcu h TYR 274 N 0.69 -0.63 -0.60 3.16 0.05 -0.98 -1.67 116.97 117.00 3kcu h TYR 274 Ca 0.17 0.04 -0.09 0.00 0.05 0.00 0.00 58.73 58.90 3kcu h TYR 274 Cb 0.20 0.32 -0.02 0.00 1.01 0.00 0.00 36.73 38.24 3kcu h TYR 274 CO 0.01 -0.31 0.01 -1.49 -1.05 0.00 0.00 178.16 175.32 3kcu h TRP 275 N -0.23 1.15 -0.96 4.88 4.06 -1.33 0.59 115.95 124.11 3kcu h TRP 275 Ca 0.15 -0.20 0.01 0.00 2.06 0.00 0.00 58.89 60.91 3kcu h TRP 275 Cb 0.46 -0.30 -0.05 0.00 -1.00 0.00 0.00 29.16 28.27 3kcu h TRP 275 CO -0.41 1.01 0.64 0.28 -3.56 0.00 0.00 178.44 176.40 3kcu h VAL 276 N 0.96 1.24 0.00 1.49 2.07 -1.18 -2.07 116.25 118.77 3kcu h VAL 276 Ca 0.17 -0.45 -0.16 0.00 0.82 0.00 0.00 66.70 67.08 3kcu h VAL 276 Cb 0.55 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 3kcu h VAL 276 CO 0.03 0.24 -0.77 0.40 0.02 0.00 0.00 177.57 177.49 3kcu h ILE 277 N 1.30 1.40 -0.12 4.57 2.04 -0.71 -3.20 117.51 122.79 3kcu h ILE 277 Ca 0.35 -2.77 0.00 0.00 1.00 0.00 0.00 64.86 63.44 3kcu h ILE 277 Cb -0.15 2.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 3kcu h ILE 277 CO -0.08 0.75 0.00 -1.22 0.00 0.00 0.00 178.15 177.60 3kcu n TYR 278 N -3.40 0.15 -2.21 1.37 4.01 0.20 -3.62 117.16 113.66 3kcu n TYR 278 Ca 0.00 -0.08 -0.04 0.00 -0.16 0.00 0.00 57.90 57.63 3kcu n TYR 278 Cb 0.80 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.91 3kcu n TYR 278 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3kcu n LEU 279 N -0.15 2.62 0.00 7.72 4.32 -0.82 -5.00 117.00 125.68 3kcu n LEU 279 Ca 0.11 -3.47 0.00 0.00 -0.02 0.00 0.00 56.01 52.64 3kcu n LEU 279 Cb 0.17 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 41.85 3kcu n LEU 279 CO 0.09 1.29 0.00 0.54 -1.22 0.00 0.00 177.39 178.08