#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocr n THR 2 N 0.00 0.00 -3.58 1.12 -2.24 -1.26 -5.11 114.28 103.22 1ocr n THR 2 Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 1ocr n THR 2 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 1ocr n THR 2 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1ocr s HIS 3 N 3.10 3.59 0.34 4.78 3.76 -1.26 -5.05 115.29 124.55 1ocr s HIS 3 Ca 0.00 0.75 -0.27 0.00 -0.15 0.00 0.00 55.06 55.39 1ocr s HIS 3 Cb 0.00 -2.26 -0.09 0.00 1.11 0.00 0.00 32.58 31.34 1ocr s HIS 3 CO 0.00 0.49 1.14 1.14 -0.85 0.00 0.00 174.74 176.65 1ocr s GLN 4 N -0.40 4.38 -0.22 1.40 -2.07 -1.26 -4.95 119.66 116.53 1ocr s GLN 4 Ca 0.19 1.82 0.10 0.00 -1.82 0.00 0.00 55.36 55.66 1ocr s GLN 4 Cb -0.14 -2.94 0.43 0.00 -1.09 0.00 0.00 33.01 29.26 1ocr s GLN 4 CO 0.08 -0.03 1.21 0.25 -1.32 0.00 0.00 175.29 175.48 1ocr n THR 5 N 0.66 2.27 -4.34 3.63 -2.24 -1.26 -5.00 114.28 108.00 1ocr n THR 5 Ca 0.01 -3.43 -0.22 0.00 -2.27 0.00 0.00 64.05 58.15 1ocr n THR 5 Cb 0.46 -0.41 -0.11 0.00 -2.10 0.00 0.00 70.33 68.17 1ocr n THR 5 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1ocr s HIS 6 N -3.30 1.83 -2.04 4.78 -3.43 -1.26 -5.06 115.29 106.81 1ocr s HIS 6 Ca 0.40 -0.47 0.10 0.00 -0.80 0.00 0.00 55.06 54.29 1ocr s HIS 6 Cb 0.38 -0.91 0.41 0.00 -1.43 0.00 0.00 32.58 31.03 1ocr s HIS 6 CO -0.05 0.34 1.29 0.00 -2.00 0.00 0.00 174.74 174.32 1ocr n ALA 7 N 0.24 2.51 -2.05 -1.38 0.00 -1.26 -4.94 120.51 113.62 1ocr n ALA 7 Ca -0.13 -0.29 -0.27 0.00 0.00 0.00 0.00 53.44 52.75 1ocr n ALA 7 Cb 0.57 -1.06 0.03 0.00 0.00 0.00 0.00 19.45 19.00 1ocr n ALA 7 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1ocr s TYR 8 N -1.83 3.27 -0.27 0.00 2.02 -1.26 -4.53 117.35 114.76 1ocr s TYR 8 Ca 0.17 0.71 -0.10 0.00 -0.37 0.00 0.00 57.07 57.49 1ocr s TYR 8 Cb 0.09 -2.78 -0.04 0.00 -0.40 0.00 0.00 41.96 38.83 1ocr s TYR 8 CO 0.13 -0.87 0.14 -1.58 -1.57 0.00 0.00 175.55 171.80 1ocr s HIS 9 N -3.04 3.17 -0.43 2.71 5.65 -1.26 -5.06 115.29 117.02 1ocr s HIS 9 Ca 0.54 -0.12 -0.15 0.00 0.25 0.00 0.00 55.06 55.59 1ocr s HIS 9 Cb -0.11 -2.32 0.04 0.00 -1.18 0.00 0.00 32.58 29.01 1ocr s HIS 9 CO 0.46 -0.25 0.33 -1.64 -0.65 0.00 0.00 174.74 172.99 1ocr s MET 10 N 1.70 2.96 0.30 2.88 -1.94 -1.26 -5.07 119.30 118.87 1ocr s MET 10 Ca 0.07 -1.15 -0.25 0.00 -1.71 0.00 0.00 55.69 52.64 1ocr s MET 10 Cb -0.16 -4.03 -0.10 0.00 2.01 0.00 0.00 34.83 32.56 1ocr s MET 10 CO 0.08 -0.85 0.91 0.14 -0.01 0.00 0.00 175.02 175.29 1ocr s VAL 11 N 1.66 4.25 0.54 -6.03 -7.23 -1.26 -5.02 120.40 107.31 1ocr s VAL 11 Ca 0.05 1.77 -0.22 0.00 -1.81 0.00 0.00 61.98 61.76 1ocr s VAL 11 Cb -0.21 -4.01 -0.05 0.00 0.56 0.00 0.00 36.38 32.67 1ocr s VAL 11 CO 0.09 0.18 1.33 0.20 -0.31 0.00 0.00 175.10 176.58 1ocr s ASN 12 N -1.59 5.33 0.26 4.85 0.02 -1.26 -4.89 114.94 117.67 1ocr s ASN 12 Ca 0.48 2.70 -0.30 0.00 -1.02 0.00 0.00 52.86 54.72 1ocr s ASN 12 Cb -0.19 -2.63 -0.14 0.00 0.02 0.00 0.00 41.25 38.31 1ocr s ASN 12 CO 0.24 -1.52 1.25 -2.65 0.02 0.00 0.00 177.10 174.43 1ocr n PRO 13 N -1.02 1.74 -4.39 -0.60 -0.02 -1.26 -4.95 135.00 124.50 1ocr n PRO 13 Ca 0.10 0.62 -0.19 0.00 -2.02 0.00 0.00 63.50 62.01 1ocr n PRO 13 Cb 0.46 -2.16 -0.14 0.00 -0.02 0.00 0.00 33.50 31.63 1ocr n PRO 13 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ocr s SER 14 N -0.08 1.23 0.14 2.55 0.15 -1.26 -5.02 113.70 111.41 1ocr s SER 14 Ca 0.64 -0.25 0.25 0.00 0.70 0.00 0.00 55.95 57.29 1ocr s SER 14 Cb -0.68 -0.12 0.61 0.00 -1.71 0.00 0.00 66.02 64.12 1ocr s SER 14 CO 0.55 0.09 1.55 -0.81 1.20 0.00 0.00 173.24 175.82 1ocr n PRO 15 N 2.58 0.23 -0.20 5.44 -0.04 -1.26 -4.20 135.00 137.56 1ocr n PRO 15 Ca -0.15 0.12 0.05 0.00 -0.04 0.00 0.00 63.50 63.49 1ocr n PRO 15 Cb 0.56 -1.70 0.33 0.00 -0.04 0.00 0.00 33.50 32.64 1ocr n PRO 15 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1ocr h TRP 16 N 0.00 0.82 -0.53 0.54 -0.00 -1.96 -1.67 115.95 113.16 1ocr h TRP 16 Ca 0.00 0.02 -0.03 0.00 -0.00 0.00 0.00 58.89 58.88 1ocr h TRP 16 Cb 0.70 -0.27 -0.02 0.00 -0.00 0.00 0.00 29.16 29.57 1ocr h TRP 16 CO 0.00 0.44 0.21 -1.35 -0.00 0.00 0.00 178.44 177.74 1ocr h PRO 17 N 0.82 0.79 0.00 0.49 0.11 -1.99 0.23 132.00 132.45 1ocr h PRO 17 Ca 0.32 -0.15 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 1ocr h PRO 17 Cb 0.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.19 1ocr h PRO 17 CO -0.11 0.70 -0.00 1.25 -0.21 0.00 0.00 178.00 179.63 1ocr h LEU 18 N 0.72 -0.00 -0.83 2.35 7.12 -1.66 0.46 115.31 123.46 1ocr h LEU 18 Ca 0.18 -0.01 0.03 0.00 0.13 0.00 0.00 57.88 58.21 1ocr h LEU 18 Cb 0.20 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 40.28 1ocr h LEU 18 CO -0.01 0.00 0.54 0.74 -0.13 0.00 0.00 178.44 179.58 1ocr h THR 19 N -0.01 1.15 -0.38 1.05 2.02 -1.16 0.82 112.91 116.41 1ocr h THR 19 Ca -0.00 -0.36 -0.12 0.00 0.77 0.00 0.00 66.41 66.69 1ocr h THR 19 Cb 0.01 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.40 1ocr h THR 19 CO 0.00 0.19 -0.26 1.23 0.37 0.00 0.00 175.52 177.06 1ocr h GLY 20 N 1.06 0.85 1.00 2.16 0.00 -0.18 -0.60 103.07 107.36 1ocr h GLY 20 Ca 0.32 -0.75 -0.07 0.00 0.00 0.00 0.00 47.33 46.84 1ocr h GLY 20 CO -0.10 0.68 0.06 0.00 0.00 0.00 0.00 176.54 177.18 1ocr h ALA 21 N 1.04 0.68 -0.40 3.60 0.00 -0.07 -2.07 119.26 122.03 1ocr h ALA 21 Ca 0.09 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1ocr h ALA 21 Cb 0.78 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1ocr h ALA 21 CO 0.06 0.44 -0.03 -0.07 0.00 0.00 0.00 179.25 179.65 1ocr h LEU 22 N 0.73 0.63 -0.82 0.00 4.07 -0.65 -2.45 115.31 116.83 1ocr h LEU 22 Ca 0.15 -0.15 0.03 0.00 0.08 0.00 0.00 57.88 57.99 1ocr h LEU 22 Cb 0.43 -0.17 -0.05 0.00 1.08 0.00 0.00 40.66 41.96 1ocr h LEU 22 CO 0.01 0.72 0.53 0.28 -1.08 0.00 0.00 178.44 178.90 1ocr h SER 23 N 0.62 0.88 -0.71 -0.43 0.02 -0.66 -1.23 113.55 112.04 1ocr h SER 23 Ca 0.12 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1ocr h SER 23 Cb 0.43 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 1ocr h SER 23 CO 0.02 0.61 0.33 0.00 -1.14 0.00 0.00 176.83 176.65 1ocr h ALA 24 N 1.33 0.91 -0.61 3.77 0.00 -0.94 -0.58 119.26 123.15 1ocr h ALA 24 Ca 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1ocr h ALA 24 Cb -0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 1ocr h ALA 24 CO -0.11 0.49 0.35 1.25 0.00 0.00 0.00 179.25 181.23 1ocr h LEU 25 N 0.99 0.75 -0.69 0.00 5.85 -0.92 -2.03 115.31 119.26 1ocr h LEU 25 Ca 0.24 -0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 1ocr h LEU 25 Cb 0.14 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1ocr h LEU 25 CO -0.03 0.61 0.11 -0.07 -0.34 0.00 0.00 178.44 178.73 1ocr h LEU 26 N 0.82 1.07 -0.07 2.25 4.07 -0.82 -1.63 115.31 121.00 1ocr h LEU 26 Ca 0.22 -0.25 -0.05 0.00 0.08 0.00 0.00 57.88 57.87 1ocr h LEU 26 Cb 0.02 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.47 1ocr h LEU 26 CO -0.04 1.06 -0.15 0.24 -1.08 0.00 0.00 178.44 178.47 1ocr h MET 27 N 1.05 0.23 -0.15 1.13 2.86 -0.95 0.16 114.93 119.26 1ocr h MET 27 Ca 0.21 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1ocr h MET 27 Cb 0.44 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 1ocr h MET 27 CO 0.01 0.74 0.04 1.79 1.06 0.00 0.00 176.91 180.55 1ocr h THR 28 N -0.26 1.20 0.00 2.22 1.35 -1.37 0.45 112.91 116.50 1ocr h THR 28 Ca 0.00 -0.61 -0.07 0.00 -0.55 0.00 0.00 66.41 65.18 1ocr h THR 28 Cb 0.74 1.33 -0.01 0.00 -1.73 0.00 0.00 68.15 68.48 1ocr h THR 28 CO 0.03 0.18 -0.33 0.77 -0.25 0.00 0.00 175.52 175.92 1ocr h SER 29 N 0.04 0.00 -0.02 5.36 4.64 -1.39 -0.71 113.55 121.46 1ocr h SER 29 Ca 0.05 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.26 1ocr h SER 29 Cb 0.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 1ocr h SER 29 CO 0.00 0.33 -0.32 1.23 -0.87 0.00 0.00 176.83 177.21 1ocr h GLY 30 N 1.93 0.53 1.67 -0.77 0.00 0.18 0.11 103.07 106.72 1ocr h GLY 30 Ca -0.00 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 46.73 1ocr h GLY 30 CO 0.04 0.43 -0.44 1.41 0.00 0.00 0.00 176.54 177.98 1ocr h LEU 31 N 0.42 0.38 -0.62 3.11 3.38 0.50 -1.07 115.31 121.41 1ocr h LEU 31 Ca 0.05 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 1ocr h LEU 31 Cb 0.76 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1ocr h LEU 31 CO 0.06 0.78 -0.33 0.74 0.09 0.00 0.00 178.44 179.78 1ocr h THR 32 N 0.29 1.28 -0.29 0.22 2.02 -0.02 -1.09 112.91 115.33 1ocr h THR 32 Ca 0.02 -1.47 -0.13 0.00 0.77 0.00 0.00 66.41 65.59 1ocr h THR 32 Cb 0.89 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 1ocr h THR 32 CO 0.07 0.48 -0.37 0.24 0.37 0.00 0.00 175.52 176.32 1ocr h MET 33 N 0.61 0.67 -0.02 6.66 2.86 -0.45 -2.61 114.93 122.65 1ocr h MET 33 Ca 0.07 -0.33 -0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1ocr h MET 33 Cb 0.85 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.51 1ocr h MET 33 CO 0.07 0.93 -0.01 2.35 1.06 0.00 0.00 176.91 181.32 1ocr h TRP 34 N 0.56 0.04 -0.29 -0.22 7.01 -0.89 -0.35 115.95 121.81 1ocr h TRP 34 Ca 0.05 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.01 1ocr h TRP 34 Cb 0.89 -0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.92 1ocr h TRP 34 CO 0.04 0.40 0.02 0.74 -2.79 0.00 0.00 178.44 176.86 1ocr h PHE 35 N -0.34 0.43 0.00 2.65 0.04 -1.20 -3.18 116.94 115.35 1ocr h PHE 35 Ca 0.00 -0.03 -0.17 0.00 2.80 0.00 0.00 57.97 60.57 1ocr h PHE 35 Cb 0.39 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.38 1ocr h PHE 35 CO 0.06 0.42 -1.63 0.72 -0.60 0.00 0.00 178.31 177.28 1ocr n HIS 36 N -4.33 0.00 -1.52 -0.55 8.25 -0.99 -4.74 115.22 111.34 1ocr n HIS 36 Ca 0.01 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.32 1ocr n HIS 36 Cb 0.21 -0.42 0.15 0.00 1.12 0.00 0.00 29.99 31.04 1ocr n HIS 36 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1ocr n PHE 37 N -2.91 1.94 -3.63 4.41 3.72 -0.18 -5.00 117.46 115.81 1ocr n PHE 37 Ca -0.20 -1.98 -0.04 0.00 -0.05 0.00 0.00 57.45 55.18 1ocr n PHE 37 Cb 0.70 -0.67 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 1ocr n PHE 37 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1ocr n ASN 38 N -1.02 -0.38 -3.92 4.37 4.05 -0.95 -4.86 115.26 112.54 1ocr n ASN 38 Ca 0.43 -0.12 -0.13 0.00 0.45 0.00 0.00 54.58 55.21 1ocr n ASN 38 Cb 1.04 -0.14 -0.14 0.00 1.23 0.00 0.00 39.78 41.77 1ocr n ASN 38 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1ocr s SER 39 N -4.55 0.30 0.00 1.20 0.15 -1.15 -4.97 113.70 104.68 1ocr s SER 39 Ca 0.04 -0.11 0.10 0.00 0.70 0.00 0.00 55.95 56.68 1ocr s SER 39 Cb -0.02 -0.02 0.07 0.00 -1.71 0.00 0.00 66.02 64.34 1ocr s SER 39 CO 0.09 -0.01 0.79 0.23 1.20 0.00 0.00 173.24 175.53 1ocr n MET 40 N 2.81 0.77 0.11 5.44 2.81 -1.26 -2.49 117.12 125.31 1ocr n MET 40 Ca -0.14 -1.02 -0.13 0.00 -1.81 0.00 0.00 57.70 54.60 1ocr n MET 40 Cb 0.59 -1.17 -0.06 0.00 -0.71 0.00 0.00 33.22 31.86 1ocr n MET 40 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1ocr h THR 41 N 1.85 0.31 -0.26 2.03 2.02 -1.97 0.15 112.91 117.04 1ocr h THR 41 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1ocr h THR 41 Cb 0.41 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1ocr h THR 41 CO 0.00 0.00 0.08 0.25 0.37 0.00 0.00 175.52 176.22 1ocr h LEU 42 N -0.54 0.08 -1.02 2.58 5.85 -1.88 0.23 115.31 120.60 1ocr h LEU 42 Ca 0.03 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.85 1ocr h LEU 42 Cb 0.58 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.57 1ocr h LEU 42 CO -0.20 0.08 0.65 0.25 -0.34 0.00 0.00 178.44 178.88 1ocr h LEU 43 N 0.19 1.04 -0.35 2.25 5.85 -1.61 0.16 115.31 122.86 1ocr h LEU 43 Ca 0.12 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 1ocr h LEU 43 Cb 0.10 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1ocr h LEU 43 CO -0.13 0.67 0.04 0.24 -0.34 0.00 0.00 178.44 178.92 1ocr h MET 44 N 1.19 0.59 -0.03 1.25 2.86 0.34 0.11 114.93 121.23 1ocr h MET 44 Ca 0.43 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1ocr h MET 44 Cb 0.15 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 1ocr h MET 44 CO -0.17 0.67 0.02 0.82 1.06 0.00 0.00 176.91 179.31 1ocr h ILE 45 N 0.41 1.06 -0.36 -1.22 2.04 -0.33 -2.32 117.51 116.80 1ocr h ILE 45 Ca 0.10 -0.17 0.07 0.00 1.00 0.00 0.00 64.86 65.86 1ocr h ILE 45 Cb 0.38 1.13 -0.07 0.00 -0.74 0.00 0.00 36.82 37.52 1ocr h ILE 45 CO 0.01 0.05 -0.09 1.23 0.00 0.00 0.00 178.15 179.35 1ocr h GLY 46 N -0.03 0.26 0.69 5.37 0.00 -0.44 -1.49 103.07 107.43 1ocr h GLY 46 Ca 0.01 0.12 0.09 0.00 0.00 0.00 0.00 47.33 47.54 1ocr h GLY 46 CO -0.00 -0.13 0.62 1.41 0.00 0.00 0.00 176.54 178.44 1ocr h LEU 47 N 0.00 0.94 0.20 3.11 3.38 -0.82 -1.96 115.31 120.16 1ocr h LEU 47 Ca 0.17 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1ocr h LEU 47 Cb 0.26 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1ocr h LEU 47 CO -0.37 0.57 -0.10 0.74 0.09 0.00 0.00 178.44 179.38 1ocr h THR 48 N 1.05 0.89 0.00 0.22 2.02 -0.75 -2.55 112.91 113.78 1ocr h THR 48 Ca 0.44 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 1ocr h THR 48 Cb 0.30 1.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1ocr h THR 48 CO -0.19 0.13 -0.10 0.71 0.37 0.00 0.00 175.52 176.44 1ocr h THR 49 N -0.56 0.97 -0.24 3.16 1.35 -1.11 -1.80 112.91 114.68 1ocr h THR 49 Ca -0.03 -0.34 -0.03 0.00 -0.55 0.00 0.00 66.41 65.46 1ocr h THR 49 Cb 0.42 1.19 -0.01 0.00 -1.73 0.00 0.00 68.15 68.01 1ocr h THR 49 CO 0.05 0.09 0.02 -1.13 -0.25 0.00 0.00 175.52 174.30 1ocr h ASN 50 N 0.00 0.39 -0.51 5.36 -1.24 -1.22 -0.72 115.58 117.64 1ocr h ASN 50 Ca -0.00 -0.28 -0.04 0.00 0.71 0.00 0.00 56.30 56.68 1ocr h ASN 50 Cb 0.18 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.10 1ocr h ASN 50 CO 0.01 0.58 0.14 0.24 -1.29 0.00 0.00 177.43 177.12 1ocr h MET 51 N 0.19 0.80 -0.78 6.67 2.86 -0.98 -1.38 114.93 122.31 1ocr h MET 51 Ca 0.07 -0.18 0.03 0.00 -2.06 0.00 0.00 59.70 57.56 1ocr h MET 51 Cb 0.37 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.87 1ocr h MET 51 CO 0.01 0.75 0.49 -0.07 1.06 0.00 0.00 176.91 179.16 1ocr h LEU 52 N 0.69 0.82 -0.13 1.22 3.38 -1.22 0.12 115.31 120.19 1ocr h LEU 52 Ca 0.16 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1ocr h LEU 52 Cb 0.30 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1ocr h LEU 52 CO -0.00 0.56 0.01 0.74 0.09 0.00 0.00 178.44 179.84 1ocr h THR 53 N 0.97 1.24 -0.77 0.22 2.02 -0.88 -1.73 112.91 113.97 1ocr h THR 53 Ca 0.31 -0.77 -0.04 0.00 0.77 0.00 0.00 66.41 66.67 1ocr h THR 53 Cb 0.01 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 1ocr h THR 53 CO -0.11 0.23 0.31 0.24 0.37 0.00 0.00 175.52 176.55 1ocr h MET 54 N -0.02 1.16 0.28 6.66 2.86 -0.93 0.49 114.93 125.43 1ocr h MET 54 Ca 0.04 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 1ocr h MET 54 Cb 0.34 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1ocr h MET 54 CO 0.01 0.94 -0.13 -0.92 1.06 0.00 0.00 176.91 177.86 1ocr h TYR 55 N 1.13 -0.35 -0.21 -0.22 3.20 -0.69 -1.98 116.97 117.85 1ocr h TYR 55 Ca 0.26 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.99 1ocr h TYR 55 Cb 0.21 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 1ocr h TYR 55 CO 0.02 -0.19 -0.43 1.96 -1.64 0.00 0.00 178.16 177.88 1ocr h GLN 56 N -0.42 0.51 0.07 1.82 4.20 -1.11 -0.27 115.11 119.93 1ocr h GLN 56 Ca -0.04 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.40 1ocr h GLN 56 Cb 0.32 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1ocr h GLN 56 CO 0.06 0.85 -0.04 2.35 -0.67 0.00 0.00 178.83 181.38 1ocr h TRP 57 N 0.42 -0.09 0.00 2.96 2.91 -0.88 -1.67 115.95 119.60 1ocr h TRP 57 Ca 0.03 -0.00 -0.04 0.00 1.13 0.00 0.00 58.89 60.01 1ocr h TRP 57 Cb 0.92 0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 29.60 1ocr h TRP 57 CO 0.03 0.20 -0.20 -1.49 -1.03 0.00 0.00 178.44 175.95 1ocr h TRP 58 N -0.38 0.00 -0.13 2.65 6.55 -1.32 -2.08 115.95 121.23 1ocr h TRP 58 Ca -0.01 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 59.81 1ocr h TRP 58 Cb 0.33 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.63 1ocr h TRP 58 CO 0.02 0.20 0.02 -0.09 -1.05 0.00 0.00 178.44 177.54 1ocr h ARG 59 N 0.00 0.22 -0.61 0.49 2.43 -0.76 -2.51 114.38 113.63 1ocr h ARG 59 Ca -0.00 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1ocr h ARG 59 Cb 0.68 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.18 1ocr h ARG 59 CO 0.03 0.41 0.37 -0.44 -1.51 0.00 0.00 179.97 178.83 1ocr h ASP 60 N -0.00 0.73 -0.79 -3.80 3.32 -1.01 -0.83 116.42 114.04 1ocr h ASP 60 Ca 0.04 -0.06 0.12 0.00 0.02 0.00 0.00 57.03 57.15 1ocr h ASP 60 Cb 0.30 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 39.61 1ocr h ASP 60 CO 0.00 0.57 0.52 0.58 -1.72 0.00 0.00 179.24 179.19 1ocr h VAL 61 N 0.83 0.88 -0.20 -1.35 2.07 -1.24 0.26 116.25 117.51 1ocr h VAL 61 Ca 0.22 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 67.44 1ocr h VAL 61 Cb -0.03 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1ocr h VAL 61 CO -0.04 0.11 -0.22 0.40 0.02 0.00 0.00 177.57 177.84 1ocr h ILE 62 N 0.61 1.33 -0.58 4.57 2.04 -0.88 -2.12 117.51 122.49 1ocr h ILE 62 Ca 0.38 -1.40 0.05 0.00 1.00 0.00 0.00 64.86 64.88 1ocr h ILE 62 Cb 0.61 1.79 -0.05 0.00 -0.74 0.00 0.00 36.82 38.43 1ocr h ILE 62 CO -0.14 0.43 0.32 0.03 0.00 0.00 0.00 178.15 178.78 1ocr h ARG 63 N 0.17 0.58 0.00 2.37 3.08 0.21 0.11 114.38 120.91 1ocr h ARG 63 Ca 0.03 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1ocr h ARG 63 Cb 0.78 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1ocr h ARG 63 CO 0.05 0.39 -0.18 0.93 -1.07 0.00 0.00 179.97 180.09 1ocr h GLU 64 N 0.60 0.00 0.00 0.04 5.08 -0.43 0.54 114.58 120.40 1ocr h GLU 64 Ca 0.26 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1ocr h GLU 64 Cb 0.14 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1ocr h GLU 64 CO -0.16 0.18 -0.91 -1.13 -1.00 0.00 0.00 179.01 175.99 1ocr n SER 65 N -3.43 1.84 -0.14 1.42 3.41 -0.59 -0.78 113.62 115.35 1ocr n SER 65 Ca -0.00 0.31 -0.12 0.00 -0.26 0.00 0.00 58.87 58.79 1ocr n SER 65 Cb 0.36 -0.69 -0.01 0.00 -0.26 0.00 0.00 64.21 63.61 1ocr n SER 65 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1ocr h THR 66 N -0.89 1.27 0.04 6.66 2.02 -0.97 -1.84 112.91 119.21 1ocr h THR 66 Ca -0.01 -1.45 -0.34 0.00 0.77 0.00 0.00 66.41 65.38 1ocr h THR 66 Cb 0.89 1.24 -0.05 0.00 -1.74 0.00 0.00 68.15 68.49 1ocr h THR 66 CO -0.01 0.49 -2.01 0.49 0.37 0.00 0.00 175.52 174.86 1ocr n PHE 67 N -4.10 0.80 0.74 3.16 3.72 -0.97 -4.45 117.46 116.36 1ocr n PHE 67 Ca -0.01 0.23 0.08 0.00 -0.05 0.00 0.00 57.45 57.70 1ocr n PHE 67 Cb 0.49 -1.13 -0.05 0.00 -0.94 0.00 0.00 39.48 37.86 1ocr n PHE 67 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1ocr n GLN 68 N -3.16 1.75 -2.48 -1.08 6.02 0.14 -5.00 117.38 113.57 1ocr n GLN 68 Ca -0.28 -0.38 -0.16 0.00 -0.01 0.00 0.00 57.00 56.17 1ocr n GLN 68 Cb 1.06 -1.26 0.00 0.00 1.02 0.00 0.00 30.24 31.06 1ocr n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ocr n GLY 69 N 1.28 -0.27 0.00 1.08 0.00 -0.69 -4.91 105.19 101.68 1ocr n GLY 69 Ca 0.05 -0.18 0.14 0.00 0.00 0.00 0.00 46.02 46.03 1ocr n GLY 69 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ocr n HIS 70 N -4.08 0.00 -2.61 1.61 8.25 0.04 -4.49 115.22 113.94 1ocr n HIS 70 Ca -0.15 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.87 1ocr n HIS 70 Cb 0.63 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 31.28 1ocr n HIS 70 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1ocr n HIS 71 N -1.47 4.32 -1.25 4.41 8.25 -1.26 -4.70 115.22 123.52 1ocr n HIS 71 Ca 0.08 -3.08 -0.29 0.00 -0.26 0.00 0.00 57.72 54.17 1ocr n HIS 71 Cb 0.33 -2.28 0.19 0.00 1.12 0.00 0.00 29.99 29.35 1ocr n HIS 71 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1ocr s THR 72 N 2.10 1.90 0.44 1.59 -4.23 -1.26 -4.70 115.64 111.47 1ocr s THR 72 Ca 0.45 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 61.09 1ocr s THR 72 Cb 0.03 -2.56 0.31 0.00 1.34 0.00 0.00 72.50 71.62 1ocr s THR 72 CO 0.01 0.00 2.02 -0.65 -0.54 0.00 0.00 174.62 175.46 1ocr h PRO 73 N -2.00 0.37 -0.40 3.99 0.11 -1.92 -1.50 132.00 130.65 1ocr h PRO 73 Ca -0.51 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.49 1ocr h PRO 73 Cb 1.32 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1ocr h PRO 73 CO 0.52 0.25 -0.07 0.00 -0.21 0.00 0.00 178.00 178.49 1ocr h ALA 74 N 1.74 0.54 -0.63 -0.75 0.00 -1.91 -2.30 119.26 115.95 1ocr h ALA 74 Ca 0.21 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1ocr h ALA 74 Cb 0.35 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1ocr h ALA 74 CO -0.05 0.38 0.18 0.28 0.00 0.00 0.00 179.25 180.04 1ocr h VAL 75 N 0.56 1.25 -0.34 0.00 2.07 -1.56 -2.60 116.25 115.63 1ocr h VAL 75 Ca 0.10 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 1ocr h VAL 75 Cb 0.58 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1ocr h VAL 75 CO 0.03 0.33 0.20 1.56 0.02 0.00 0.00 177.57 179.71 1ocr h GLN 76 N 0.91 0.46 -0.84 1.57 4.20 -1.20 -1.43 115.11 118.78 1ocr h GLN 76 Ca 0.20 -0.04 0.09 0.00 0.06 0.00 0.00 58.65 58.96 1ocr h GLN 76 Cb 0.31 -0.10 -0.06 0.00 0.30 0.00 0.00 27.48 27.94 1ocr h GLN 76 CO -0.00 0.36 0.55 -0.22 -0.67 0.00 0.00 178.83 178.84 1ocr h LYS 77 N 0.43 0.79 -0.08 1.46 3.64 -1.29 -1.02 116.57 120.50 1ocr h LYS 77 Ca 0.12 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1ocr h LYS 77 Cb 0.02 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1ocr h LYS 77 CO -0.02 0.52 0.03 0.78 -2.27 0.00 0.00 179.45 178.49 1ocr h GLY 78 N 0.82 0.13 1.05 5.01 0.00 -0.90 -2.53 103.07 106.65 1ocr h GLY 78 Ca 0.39 -0.08 0.11 0.00 0.00 0.00 0.00 47.33 47.75 1ocr h GLY 78 CO -0.16 0.07 0.38 1.41 0.00 0.00 0.00 176.54 178.25 1ocr h LEU 79 N -0.05 0.28 -0.20 3.11 3.38 -0.43 -1.14 115.31 120.25 1ocr h LEU 79 Ca 0.03 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1ocr h LEU 79 Cb 0.20 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1ocr h LEU 79 CO -0.00 0.17 -0.03 0.03 0.09 0.00 0.00 178.44 178.70 1ocr h ARG 80 N 0.31 0.38 -0.68 1.13 3.08 -0.84 -1.58 114.38 116.18 1ocr h ARG 80 Ca 0.26 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 1ocr h ARG 80 Cb 0.63 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 1ocr h ARG 80 CO -0.06 0.61 0.31 1.88 -1.07 0.00 0.00 179.97 181.63 1ocr h TYR 81 N 0.12 1.00 -0.70 3.04 0.05 -0.99 -2.16 116.97 117.32 1ocr h TYR 81 Ca 0.05 -0.06 0.02 0.00 0.05 0.00 0.00 58.73 58.80 1ocr h TYR 81 Cb 0.45 -0.31 -0.04 0.00 1.01 0.00 0.00 36.73 37.85 1ocr h TYR 81 CO 0.04 0.75 0.45 0.78 -1.05 0.00 0.00 178.16 179.13 1ocr h GLY 82 N 0.95 1.00 0.80 3.88 0.00 -1.02 -0.85 103.07 107.83 1ocr h GLY 82 Ca 0.23 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1ocr h GLY 82 CO -0.03 0.30 -0.12 1.98 0.00 0.00 0.00 176.54 178.68 1ocr h MET 83 N 0.88 -0.31 -0.41 4.80 1.85 -1.04 -1.16 114.93 119.54 1ocr h MET 83 Ca 0.27 0.02 0.07 0.00 -0.61 0.00 0.00 59.70 59.46 1ocr h MET 83 Cb -0.02 0.07 -0.06 0.00 0.43 0.00 0.00 31.60 32.02 1ocr h MET 83 CO -0.09 -0.06 0.01 0.82 -0.40 0.00 0.00 176.91 177.19 1ocr h ILE 84 N -0.53 0.71 -0.84 1.77 2.04 -1.17 0.68 117.51 120.17 1ocr h ILE 84 Ca -0.03 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1ocr h ILE 84 Cb 0.39 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 1ocr h ILE 84 CO 0.05 0.02 0.52 -0.07 0.00 0.00 0.00 178.15 178.68 1ocr h LEU 85 N 0.12 0.99 -0.28 1.44 4.07 -1.11 -1.20 115.31 119.35 1ocr h LEU 85 Ca 0.20 -0.05 -0.02 0.00 0.08 0.00 0.00 57.88 58.10 1ocr h LEU 85 Cb 0.28 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 1ocr h LEU 85 CO -0.32 0.75 0.12 0.15 -1.08 0.00 0.00 178.44 178.05 1ocr h PHE 86 N 1.15 0.42 -0.93 1.13 3.57 0.35 -2.42 116.94 120.22 1ocr h PHE 86 Ca 0.30 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.81 1ocr h PHE 86 Cb -0.07 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.49 1ocr h PHE 86 CO 0.00 0.42 0.60 0.82 -2.23 0.00 0.00 178.31 177.93 1ocr h ILE 87 N 0.31 1.16 -0.51 1.41 2.04 -0.45 -2.09 117.51 119.37 1ocr h ILE 87 Ca 0.09 -0.40 0.05 0.00 1.00 0.00 0.00 64.86 65.61 1ocr h ILE 87 Cb 0.17 -0.12 -0.05 0.00 -0.74 0.00 0.00 36.82 36.09 1ocr h ILE 87 CO -0.01 0.21 0.24 0.40 0.00 0.00 0.00 178.15 178.99 1ocr h ILE 88 N 1.17 0.91 0.00 -0.67 2.04 -0.81 0.96 117.51 121.12 1ocr h ILE 88 Ca 0.37 -0.16 -0.07 0.00 1.00 0.00 0.00 64.86 66.00 1ocr h ILE 88 Cb 0.00 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 1ocr h ILE 88 CO -0.12 0.08 -0.34 0.77 0.00 0.00 0.00 178.15 178.55 1ocr h SER 89 N 0.46 0.00 -0.17 1.72 4.64 -0.93 -1.13 113.55 118.13 1ocr h SER 89 Ca 0.23 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.44 1ocr h SER 89 Cb 0.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1ocr h SER 89 CO -0.19 0.34 -0.27 -0.33 -0.87 0.00 0.00 176.83 175.51 1ocr h GLU 90 N 0.00 0.64 -0.78 4.77 4.39 -0.36 -1.55 114.58 121.69 1ocr h GLU 90 Ca -0.00 -0.27 -0.03 0.00 0.34 0.00 0.00 59.36 59.40 1ocr h GLU 90 Cb 0.64 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.23 1ocr h GLU 90 CO 0.04 0.84 0.36 0.28 -1.16 0.00 0.00 179.01 179.38 1ocr h VAL 91 N 0.56 1.25 -0.02 3.13 2.07 0.18 -1.59 116.25 121.82 1ocr h VAL 91 Ca 0.07 -0.72 -0.12 0.00 0.82 0.00 0.00 66.70 66.76 1ocr h VAL 91 Cb 0.75 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1ocr h VAL 91 CO 0.06 0.30 -0.54 -0.07 0.02 0.00 0.00 177.57 177.34 1ocr h LEU 92 N 1.10 0.05 0.44 2.57 4.07 -1.19 -1.68 115.31 120.67 1ocr h LEU 92 Ca 0.26 -0.02 -0.02 0.00 0.08 0.00 0.00 57.88 58.18 1ocr h LEU 92 Cb 0.14 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.87 1ocr h LEU 92 CO -0.03 0.58 -0.21 0.15 -1.08 0.00 0.00 178.44 177.85 1ocr h PHE 93 N 0.03 -0.55 0.00 1.13 3.57 -0.61 -1.70 116.94 118.82 1ocr h PHE 93 Ca -0.00 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1ocr h PHE 93 Cb 0.97 0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.90 1ocr h PHE 93 CO 0.00 -0.30 -0.02 0.74 -2.23 0.00 0.00 178.31 176.50 1ocr h PHE 94 N -0.68 0.00 -0.07 0.41 0.04 -1.18 -1.69 116.94 113.77 1ocr h PHE 94 Ca -0.06 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.64 1ocr h PHE 94 Cb 0.50 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 1ocr h PHE 94 CO -0.03 0.02 -0.25 1.15 -0.60 0.00 0.00 178.31 178.60 1ocr h THR 95 N 0.00 1.21 -0.81 -1.55 2.02 -0.35 -2.35 112.91 111.10 1ocr h THR 95 Ca -0.00 -1.01 -0.02 0.00 0.77 0.00 0.00 66.41 66.15 1ocr h THR 95 Cb 0.09 1.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 1ocr h THR 95 CO 0.00 0.30 0.43 1.23 0.37 0.00 0.00 175.52 177.85 1ocr h GLY 96 N 0.88 1.21 1.73 2.16 0.00 -1.13 -1.43 103.07 106.50 1ocr h GLY 96 Ca 0.02 -0.56 -0.14 0.00 0.00 0.00 0.00 47.33 46.64 1ocr h GLY 96 CO 0.04 0.54 -0.56 0.74 0.00 0.00 0.00 176.54 177.29 1ocr h PHE 97 N 1.12 0.35 0.00 5.60 0.04 -1.55 -1.78 116.94 120.73 1ocr h PHE 97 Ca 0.28 -0.13 -0.13 0.00 2.80 0.00 0.00 57.97 60.80 1ocr h PHE 97 Cb 0.05 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 1ocr h PHE 97 CO 0.01 0.78 -0.61 0.74 -0.60 0.00 0.00 178.31 178.63 1ocr h PHE 98 N 0.21 0.00 0.02 -0.55 0.04 -1.20 -1.77 116.94 113.70 1ocr h PHE 98 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1ocr h PHE 98 Cb 1.05 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.20 1ocr h PHE 98 CO 0.02 0.61 -0.01 2.35 -0.60 0.00 0.00 178.31 180.68 1ocr h TRP 99 N 0.00 -0.03 -0.38 -0.55 2.91 -0.94 -0.75 115.95 116.21 1ocr h TRP 99 Ca -0.01 -0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.08 1ocr h TRP 99 Cb 1.10 0.01 -0.06 0.00 -0.51 0.00 0.00 29.16 29.71 1ocr h TRP 99 CO 0.00 0.27 0.05 0.00 -1.03 0.00 0.00 178.44 177.73 1ocr h ALA 100 N 0.63 0.38 0.33 2.65 0.00 -1.18 0.27 119.26 122.34 1ocr h ALA 100 Ca -0.00 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1ocr h ALA 100 Cb 0.32 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1ocr h ALA 100 CO 0.01 -0.36 -0.20 0.35 0.00 0.00 0.00 179.25 179.05 1ocr h PHE 101 N 0.16 -0.53 -0.25 0.00 3.57 -1.20 -1.63 116.94 117.07 1ocr h PHE 101 Ca 0.18 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 1ocr h PHE 101 Cb 0.23 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1ocr h PHE 101 CO -0.22 -0.31 0.02 1.88 -2.23 0.00 0.00 178.31 177.45 1ocr h TYR 102 N -0.51 0.36 -0.34 0.41 0.05 -0.59 -1.18 116.97 115.18 1ocr h TYR 102 Ca -0.03 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.71 1ocr h TYR 102 Cb 0.42 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 1ocr h TYR 102 CO -0.09 0.35 0.13 1.25 -1.05 0.00 0.00 178.16 178.75 1ocr h HIS 103 N 0.35 0.52 -0.12 4.88 2.76 0.00 -1.94 115.15 121.61 1ocr h HIS 103 Ca 0.08 -0.04 -0.15 0.00 -2.20 0.00 0.00 60.37 58.07 1ocr h HIS 103 Cb 0.21 -0.15 0.01 0.00 1.55 0.00 0.00 27.41 29.02 1ocr h HIS 103 CO 0.00 0.49 -0.49 0.77 -1.30 0.00 0.00 177.93 177.40 1ocr h SER 104 N 0.39 0.63 1.17 3.26 0.02 -0.95 -3.26 113.55 114.82 1ocr h SER 104 Ca 0.11 -0.63 -0.10 0.00 -0.84 0.00 0.00 61.79 60.34 1ocr h SER 104 Cb 0.20 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1ocr h SER 104 CO -0.01 1.16 -0.45 0.77 -1.14 0.00 0.00 176.83 177.16 1ocr h SER 105 N 0.15 0.00 1.29 3.07 4.64 -1.25 -3.06 113.55 118.39 1ocr h SER 105 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1ocr h SER 105 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1ocr h SER 105 CO 0.10 0.45 -0.40 -0.07 -0.87 0.00 0.00 176.83 176.05 1ocr h LEU 106 N 0.00 0.00 -5.97 5.97 3.38 -1.48 -3.38 115.31 113.82 1ocr h LEU 106 Ca -0.00 -0.07 -0.54 0.00 0.09 0.00 0.00 57.88 57.36 1ocr h LEU 106 Cb 1.16 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.51 1ocr h LEU 106 CO 0.06 0.04 -1.07 0.00 0.09 0.00 0.00 178.44 177.55 1ocr n ALA 107 N -1.94 2.54 -1.78 1.53 0.00 -1.21 -5.10 120.51 114.55 1ocr n ALA 107 Ca 0.03 -3.59 -0.42 0.00 0.00 0.00 0.00 53.44 49.47 1ocr n ALA 107 Cb 0.48 -0.86 -0.02 0.00 0.00 0.00 0.00 19.45 19.05 1ocr n ALA 107 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ocr s PRO 108 N -1.88 4.14 0.61 0.00 0.04 -1.16 -4.83 135.00 131.93 1ocr s PRO 108 Ca 0.38 2.55 -0.11 0.00 0.04 0.00 0.00 61.00 63.85 1ocr s PRO 108 Cb 0.24 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.68 1ocr s PRO 108 CO -0.09 -0.65 1.02 0.95 0.04 0.00 0.00 177.00 178.27 1ocr s THR 109 N 0.48 4.70 0.37 1.26 -4.23 -1.26 -4.55 115.64 112.41 1ocr s THR 109 Ca 0.67 0.90 0.11 0.00 -1.18 0.00 0.00 61.69 62.19 1ocr s THR 109 Cb -0.48 -3.86 0.33 0.00 1.34 0.00 0.00 72.50 69.84 1ocr s THR 109 CO 0.41 -1.10 1.87 -0.65 -0.54 0.00 0.00 174.62 174.61 1ocr h PRO 110 N -0.19 0.59 0.00 3.99 0.11 -1.94 -0.66 132.00 133.90 1ocr h PRO 110 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ocr h PRO 110 Cb 1.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1ocr h PRO 110 CO 0.62 0.39 0.00 -1.91 -0.21 0.00 0.00 178.00 176.89 1ocr n GLU 111 N -4.55 0.28 0.00 1.05 4.07 -1.26 -1.46 120.64 118.78 1ocr n GLU 111 Ca 0.17 0.10 0.05 0.00 -0.06 0.00 0.00 57.16 57.42 1ocr n GLU 111 Cb 0.51 -1.50 -0.06 0.00 -0.06 0.00 0.00 31.44 30.33 1ocr n GLU 111 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1ocr n LEU 112 N -1.17 0.53 0.00 4.31 7.94 -0.36 -4.93 117.00 123.33 1ocr n LEU 112 Ca 0.08 -0.50 0.00 0.00 -1.11 0.00 0.00 56.01 54.48 1ocr n LEU 112 Cb 0.08 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.03 1ocr n LEU 112 CO 0.09 0.13 0.00 0.61 -1.11 0.00 0.00 177.39 177.11 1ocr n GLY 113 N 1.26 0.89 2.42 -3.96 0.00 -0.53 -1.81 105.19 103.46 1ocr n GLY 113 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 1ocr n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ocr n GLY 114 N -1.25 -0.46 3.24 -0.02 0.00 -0.60 -4.95 105.19 101.15 1ocr n GLY 114 Ca 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 1ocr n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ocr s TRP 116 N -3.88 1.37 0.71 0.00 -0.11 -1.26 -3.42 118.94 112.36 1ocr s TRP 116 Ca 0.07 -0.48 -0.14 0.00 1.22 0.00 0.00 56.10 56.78 1ocr s TRP 116 Cb 0.04 -1.01 0.03 0.00 -1.50 0.00 0.00 33.47 31.03 1ocr s TRP 116 CO -0.09 -0.25 1.13 -2.14 -4.62 0.00 0.00 176.95 170.98 1ocr s PRO 117 N 0.60 2.43 0.59 5.86 0.02 -1.26 -4.95 135.00 138.29 1ocr s PRO 117 Ca -0.13 1.43 -0.18 0.00 0.02 0.00 0.00 61.00 62.14 1ocr s PRO 117 Cb -0.15 -1.90 -0.06 0.00 0.02 0.00 0.00 34.50 32.41 1ocr s PRO 117 CO 0.03 -1.54 0.81 -2.30 -0.33 0.00 0.00 177.00 173.67 1ocr n PRO 118 N -2.83 0.76 -2.09 5.54 -0.02 -1.22 -4.88 135.00 130.26 1ocr n PRO 118 Ca 0.11 0.30 -0.41 0.00 -2.02 0.00 0.00 63.50 61.47 1ocr n PRO 118 Cb 0.52 -2.00 -0.02 0.00 -0.02 0.00 0.00 33.50 31.97 1ocr n PRO 118 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1ocr s THR 119 N -1.58 2.78 0.00 3.45 -4.23 -0.75 -2.39 115.64 112.92 1ocr s THR 119 Ca 0.73 0.70 0.00 0.00 -1.18 0.00 0.00 61.69 61.95 1ocr s THR 119 Cb -0.43 -3.45 0.00 0.00 1.34 0.00 0.00 72.50 69.96 1ocr s THR 119 CO 0.50 0.14 0.00 0.61 -0.54 0.00 0.00 174.62 175.32 1ocr n GLY 120 N 1.61 0.28 3.73 3.99 0.00 -1.26 -4.97 105.19 108.57 1ocr n GLY 120 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1ocr n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ocr s ILE 121 N -2.00 5.23 -0.55 -0.61 -1.09 -1.01 -5.06 121.20 116.12 1ocr s ILE 121 Ca 0.00 0.12 -0.02 0.00 -2.23 0.00 0.00 60.65 58.52 1ocr s ILE 121 Cb 0.00 -3.36 0.14 0.00 -1.58 0.00 0.00 42.46 37.67 1ocr s ILE 121 CO 0.00 0.48 0.35 -1.00 -1.23 0.00 0.00 174.94 173.53 1ocr s HIS 122 N 0.12 3.45 0.72 3.97 3.76 -1.26 -4.91 115.29 121.14 1ocr s HIS 122 Ca 0.08 -2.69 -0.14 0.00 -0.15 0.00 0.00 55.06 52.16 1ocr s HIS 122 Cb -0.11 -3.16 0.04 0.00 1.11 0.00 0.00 32.58 30.45 1ocr s HIS 122 CO -0.00 -0.87 1.17 -1.25 -0.85 0.00 0.00 174.74 172.93 1ocr s PRO 123 N 0.27 2.26 0.88 8.40 0.04 -1.26 -4.74 135.00 140.84 1ocr s PRO 123 Ca 0.14 1.61 -0.11 0.00 0.04 0.00 0.00 61.00 62.68 1ocr s PRO 123 Cb -0.21 -1.86 0.12 0.00 0.04 0.00 0.00 34.50 32.58 1ocr s PRO 123 CO -0.03 -1.71 1.09 -0.51 0.04 0.00 0.00 177.00 175.88 1ocr s LEU 124 N -5.20 2.38 -0.24 -3.56 1.43 -1.26 -5.00 118.68 107.23 1ocr s LEU 124 Ca 0.71 1.54 -0.17 0.00 -1.03 0.00 0.00 54.13 55.19 1ocr s LEU 124 Cb -0.26 -4.01 -0.03 0.00 0.03 0.00 0.00 46.19 41.92 1ocr s LEU 124 CO 0.45 -2.54 0.44 0.21 0.23 0.00 0.00 176.35 175.14 1ocr s ASN 125 N -3.41 6.40 0.20 2.29 3.84 -1.26 -4.96 114.94 118.04 1ocr s ASN 125 Ca 0.63 0.48 0.17 0.00 0.21 0.00 0.00 52.86 54.35 1ocr s ASN 125 Cb -0.18 -2.25 0.82 0.00 -0.55 0.00 0.00 41.25 39.09 1ocr s ASN 125 CO 0.57 -0.18 1.52 -0.81 -2.79 0.00 0.00 177.10 175.41 1ocr n PRO 126 N 5.06 0.11 -0.10 0.43 -0.04 -1.26 -2.23 135.00 136.97 1ocr n PRO 126 Ca -0.07 0.50 0.11 0.00 -0.04 0.00 0.00 63.50 64.00 1ocr n PRO 126 Cb 0.50 -1.78 0.34 0.00 -0.04 0.00 0.00 33.50 32.52 1ocr n PRO 126 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ocr n LEU 127 N -2.00 2.08 0.00 1.53 4.77 -1.26 -2.64 117.00 119.48 1ocr n LEU 127 Ca 0.01 -0.86 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 1ocr n LEU 127 Cb 0.10 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1ocr n LEU 127 CO 0.11 0.43 0.00 -0.62 -1.33 0.00 0.00 177.39 175.98 1ocr n GLU 128 N 0.60 0.00 -0.29 3.23 1.02 -0.95 -4.68 120.64 119.57 1ocr n GLU 128 Ca 0.17 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.40 1ocr n GLU 128 Cb 0.40 0.00 0.24 0.00 -0.02 0.00 0.00 31.44 32.06 1ocr n GLU 128 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ocr h VAL 129 N 0.00 0.60 -0.17 2.62 2.07 -1.88 0.12 116.25 119.61 1ocr h VAL 129 Ca 0.00 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.41 1ocr h VAL 129 Cb 0.00 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 1ocr h VAL 129 CO 0.00 0.09 0.15 -0.65 0.02 0.00 0.00 177.57 177.18 1ocr h PRO 130 N 0.47 0.00 -0.15 1.57 0.11 -1.77 0.15 132.00 132.38 1ocr h PRO 130 Ca 0.48 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.42 1ocr h PRO 130 Cb 0.80 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.92 1ocr h PRO 130 CO -0.45 0.00 -0.57 1.25 -0.21 0.00 0.00 178.00 178.02 1ocr h LEU 131 N 0.00 0.76 0.25 2.35 6.46 -0.54 -2.59 115.31 122.00 1ocr h LEU 131 Ca 0.08 -0.61 0.00 0.00 -0.12 0.00 0.00 57.88 57.23 1ocr h LEU 131 Cb 0.39 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.07 1ocr h LEU 131 CO -0.00 1.24 -0.24 0.25 -0.62 0.00 0.00 178.44 179.08 1ocr h LEU 132 N 0.32 -0.63 -1.09 2.25 6.46 -0.36 -1.07 115.31 121.19 1ocr h LEU 132 Ca -0.03 0.06 0.15 0.00 -0.12 0.00 0.00 57.88 57.94 1ocr h LEU 132 Cb 1.20 0.22 -0.09 0.00 -0.73 0.00 0.00 40.66 41.25 1ocr h LEU 132 CO 0.12 -0.35 0.61 0.78 -0.62 0.00 0.00 178.44 178.98 1ocr h ASN 133 N -0.51 0.80 -0.39 1.25 2.35 -0.96 0.33 115.58 118.45 1ocr h ASN 133 Ca -0.01 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1ocr h ASN 133 Cb 0.47 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 1ocr h ASN 133 CO -0.05 0.38 0.16 0.74 -1.65 0.00 0.00 177.43 177.01 1ocr h THR 134 N 0.84 1.19 -0.06 2.81 2.02 -0.98 -2.03 112.91 116.70 1ocr h THR 134 Ca 0.51 -0.60 -0.11 0.00 0.77 0.00 0.00 66.41 66.98 1ocr h THR 134 Cb 0.70 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 1ocr h THR 134 CO -0.28 0.22 -0.46 0.77 0.37 0.00 0.00 175.52 176.13 1ocr h SER 135 N 0.49 0.15 -0.17 4.18 4.64 0.22 -2.20 113.55 120.85 1ocr h SER 135 Ca 0.13 -0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.36 1ocr h SER 135 Cb 0.19 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1ocr h SER 135 CO -0.01 0.59 -0.00 0.58 -0.87 0.00 0.00 176.83 177.12 1ocr h VAL 136 N 0.11 1.25 -0.27 0.95 2.07 -0.81 -1.68 116.25 117.87 1ocr h VAL 136 Ca 0.01 -0.85 -0.05 0.00 0.82 0.00 0.00 66.70 66.62 1ocr h VAL 136 Cb 0.86 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1ocr h VAL 136 CO 0.07 0.26 -0.04 -0.07 0.02 0.00 0.00 177.57 177.81 1ocr h LEU 137 N 0.06 0.51 -1.13 2.57 4.07 -1.27 -2.39 115.31 117.72 1ocr h LEU 137 Ca 0.05 -0.34 -0.03 0.00 0.08 0.00 0.00 57.88 57.63 1ocr h LEU 137 Cb 0.38 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 41.96 1ocr h LEU 137 CO 0.01 0.73 0.23 -0.07 -1.08 0.00 0.00 178.44 178.25 1ocr h LEU 138 N 0.27 0.76 -1.29 1.67 3.38 -1.43 -1.67 115.31 117.01 1ocr h LEU 138 Ca 0.07 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1ocr h LEU 138 Cb 0.49 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1ocr h LEU 138 CO 0.02 0.69 0.08 0.00 0.09 0.00 0.00 178.44 179.32 1ocr h ALA 139 N 1.42 1.43 0.00 1.53 0.00 -1.12 -0.54 119.26 121.98 1ocr h ALA 139 Ca 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ocr h ALA 139 Cb 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ocr h ALA 139 CO -0.02 0.42 0.00 -1.13 0.00 0.00 0.00 179.25 178.52 1ocr n SER 140 N -4.32 0.48 0.09 0.00 3.41 -0.68 -1.51 113.62 111.08 1ocr n SER 140 Ca 0.02 0.57 -0.12 0.00 -0.26 0.00 0.00 58.87 59.08 1ocr n SER 140 Cb 0.20 -0.69 -0.07 0.00 -0.26 0.00 0.00 64.21 63.39 1ocr n SER 140 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1ocr h GLY 141 N 3.81 0.30 0.43 5.00 0.00 -0.51 -2.59 103.07 109.51 1ocr h GLY 141 Ca 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.71 1ocr h GLY 141 CO 0.00 0.54 -0.05 -2.08 0.00 0.00 0.00 176.54 174.94 1ocr h VAL 142 N 0.12 1.49 -0.35 4.60 2.07 -1.08 -3.08 116.25 120.01 1ocr h VAL 142 Ca -0.08 -1.51 -0.04 0.00 0.82 0.00 0.00 66.70 65.88 1ocr h VAL 142 Cb 1.70 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 33.92 1ocr h VAL 142 CO 0.16 0.40 0.03 0.77 0.02 0.00 0.00 177.57 178.95 1ocr h SER 143 N -0.54 0.50 0.48 0.57 4.64 -1.35 -1.79 113.55 116.06 1ocr h SER 143 Ca -0.00 -0.09 -0.07 0.00 -0.47 0.00 0.00 61.79 61.16 1ocr h SER 143 Cb 0.68 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1ocr h SER 143 CO 0.01 0.55 -0.34 -0.29 -0.87 0.00 0.00 176.83 175.89 1ocr h ILE 144 N 0.52 1.07 -0.24 0.95 2.10 -1.54 -0.97 117.51 119.40 1ocr h ILE 144 Ca 0.11 -1.23 -0.17 0.00 1.08 0.00 0.00 64.86 64.65 1ocr h ILE 144 Cb 0.29 1.70 -0.00 0.00 -1.09 0.00 0.00 36.82 37.72 1ocr h ILE 144 CO 0.01 0.33 -0.54 0.74 -1.08 0.00 0.00 178.15 177.61 1ocr h THR 145 N 0.00 1.30 -0.66 2.19 2.02 -1.25 -1.12 112.91 115.39 1ocr h THR 145 Ca -0.00 -1.76 -0.07 0.00 0.77 0.00 0.00 66.41 65.35 1ocr h THR 145 Cb 0.67 1.69 -0.03 0.00 -1.74 0.00 0.00 68.15 68.75 1ocr h THR 145 CO 0.04 0.56 0.14 -0.25 0.37 0.00 0.00 175.52 176.38 1ocr h TRP 146 N 0.54 1.11 -0.11 3.16 7.01 -0.80 -2.24 115.95 124.63 1ocr h TRP 146 Ca 0.01 -0.13 0.02 0.00 2.11 0.00 0.00 58.89 60.90 1ocr h TRP 146 Cb 1.11 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 27.83 1ocr h TRP 146 CO 0.06 0.92 -0.03 0.00 -2.79 0.00 0.00 178.44 176.60 1ocr h ALA 147 N 1.14 0.07 -0.50 2.65 0.00 -0.81 -0.34 119.26 121.48 1ocr h ALA 147 Ca 0.21 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.24 1ocr h ALA 147 Cb 0.38 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 1ocr h ALA 147 CO 0.00 -0.49 0.12 1.25 0.00 0.00 0.00 179.25 180.14 1ocr h HIS 148 N 0.00 0.20 -0.41 0.00 -0.00 -0.95 -0.74 115.15 113.25 1ocr h HIS 148 Ca 0.05 0.03 -0.12 0.00 -0.00 0.00 0.00 60.37 60.33 1ocr h HIS 148 Cb 0.08 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.46 1ocr h HIS 148 CO -0.15 0.02 -0.23 0.45 -0.00 0.00 0.00 177.93 178.01 1ocr h HIS 149 N 0.27 0.96 -0.77 5.26 -0.00 -0.96 -1.69 115.15 118.22 1ocr h HIS 149 Ca 0.25 -0.23 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1ocr h HIS 149 Cb 0.32 -0.23 -0.04 0.00 -0.00 0.00 0.00 27.41 27.47 1ocr h HIS 149 CO -0.21 0.98 0.48 0.77 -0.00 0.00 0.00 177.93 179.96 1ocr h SER 150 N 0.72 0.90 -0.43 2.45 0.02 -0.57 -1.61 113.55 115.04 1ocr h SER 150 Ca 0.10 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1ocr h SER 150 Cb 0.77 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 1ocr h SER 150 CO 0.06 0.68 0.24 0.25 -1.14 0.00 0.00 176.83 176.92 1ocr h LEU 151 N 1.05 0.54 -1.57 5.07 5.85 -0.74 0.51 115.31 126.02 1ocr h LEU 151 Ca 0.28 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 1ocr h LEU 151 Cb -0.07 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.82 1ocr h LEU 151 CO -0.06 0.48 -0.14 0.24 -0.34 0.00 0.00 178.44 178.62 1ocr h MET 152 N 0.56 0.00 -0.18 1.25 2.86 -0.94 -0.53 114.93 117.95 1ocr h MET 152 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1ocr h MET 152 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1ocr h MET 152 CO -0.02 0.14 0.00 0.39 1.06 0.00 0.00 176.91 178.48 1ocr n GLU 153 N -3.43 2.00 -1.08 1.72 1.02 -0.64 -4.89 120.64 115.34 1ocr n GLU 153 Ca -0.01 -1.49 -0.03 0.00 -0.02 0.00 0.00 57.16 55.62 1ocr n GLU 153 Cb 0.32 -1.45 -0.01 0.00 -0.02 0.00 0.00 31.44 30.28 1ocr n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ocr n GLY 154 N 1.26 0.61 3.45 0.62 0.00 -0.21 -4.98 105.19 105.94 1ocr n GLY 154 Ca 0.17 -0.60 -0.44 0.00 0.00 0.00 0.00 46.02 45.16 1ocr n GLY 154 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ocr s ASP 155 N -2.65 6.50 0.17 1.61 -1.08 0.07 -4.90 116.67 116.38 1ocr s ASP 155 Ca 0.00 -1.77 -0.14 0.00 -0.52 0.00 0.00 52.55 50.12 1ocr s ASP 155 Cb 0.00 -2.40 0.06 0.00 -1.46 0.00 0.00 42.92 39.13 1ocr s ASP 155 CO 0.00 -1.15 1.80 -0.09 0.52 0.00 0.00 175.17 176.25 1ocr h ARG 156 N 9.02 0.74 -0.38 4.34 2.43 -1.94 -1.35 114.38 127.24 1ocr h ARG 156 Ca 0.03 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1ocr h ARG 156 Cb 1.04 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.42 1ocr h ARG 156 CO 1.12 0.55 0.13 -0.22 -1.51 0.00 0.00 179.97 180.04 1ocr h LYS 157 N 0.73 0.58 -0.03 0.20 3.64 -1.98 -1.96 116.57 117.75 1ocr h LYS 157 Ca 0.19 -0.12 -0.17 0.00 -1.27 0.00 0.00 60.65 59.28 1ocr h LYS 157 Cb 0.00 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1ocr h LYS 157 CO -0.03 0.57 -0.75 0.45 -2.27 0.00 0.00 179.45 177.42 1ocr h HIS 158 N 0.47 0.30 -0.44 1.91 3.86 -1.95 -0.09 115.15 119.21 1ocr h HIS 158 Ca 0.12 -0.14 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 1ocr h HIS 158 Cb 0.22 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.63 1ocr h HIS 158 CO 0.00 0.88 0.15 1.98 0.86 0.00 0.00 177.93 181.81 1ocr h MET 159 N 0.14 0.67 -0.60 2.45 1.85 -1.15 0.22 114.93 118.50 1ocr h MET 159 Ca -0.03 -0.13 -0.08 0.00 -0.61 0.00 0.00 59.70 58.85 1ocr h MET 159 Cb 1.32 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 33.23 1ocr h MET 159 CO 0.11 0.63 0.04 -0.07 -0.40 0.00 0.00 176.91 177.23 1ocr h LEU 160 N 0.56 0.98 0.08 3.39 -0.00 -1.14 0.25 115.31 119.43 1ocr h LEU 160 Ca 0.14 -0.25 -0.00 0.00 -0.00 0.00 0.00 57.88 57.77 1ocr h LEU 160 Cb 0.23 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 40.64 1ocr h LEU 160 CO -0.01 1.01 -0.04 -0.61 -0.00 0.00 0.00 178.44 178.79 1ocr h GLN 161 N 0.94 -0.11 -0.76 1.13 4.15 -0.49 -1.23 115.11 118.73 1ocr h GLN 161 Ca 0.18 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.58 1ocr h GLN 161 Cb 0.49 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.16 1ocr h GLN 161 CO 0.02 0.18 0.38 0.00 -1.93 0.00 0.00 178.83 177.47 1ocr h ALA 162 N 0.50 1.22 -0.40 3.38 0.00 -0.46 -1.80 119.26 121.71 1ocr h ALA 162 Ca -0.01 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1ocr h ALA 162 Cb 0.33 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1ocr h ALA 162 CO 0.02 0.60 -0.16 1.25 0.00 0.00 0.00 179.25 180.96 1ocr h LEU 163 N 1.08 0.74 -0.26 0.00 6.46 -0.90 -2.29 115.31 120.15 1ocr h LEU 163 Ca 0.27 -0.24 -0.02 0.00 -0.12 0.00 0.00 57.88 57.77 1ocr h LEU 163 Cb 0.09 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.81 1ocr h LEU 163 CO -0.04 0.91 0.08 0.15 -0.62 0.00 0.00 178.44 178.92 1ocr h PHE 164 N 0.66 0.41 -0.42 1.25 3.57 -0.50 -1.89 116.94 120.02 1ocr h PHE 164 Ca 0.10 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.59 1ocr h PHE 164 Cb 0.65 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 1ocr h PHE 164 CO 0.03 0.46 0.24 0.82 -2.23 0.00 0.00 178.31 177.63 1ocr h ILE 165 N 0.25 1.02 -0.60 1.41 2.04 -1.22 -0.29 117.51 120.11 1ocr h ILE 165 Ca 0.08 -0.16 0.06 0.00 1.00 0.00 0.00 64.86 65.84 1ocr h ILE 165 Cb 0.24 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 1ocr h ILE 165 CO -0.00 0.09 0.31 0.74 0.00 0.00 0.00 178.15 179.28 1ocr h THR 166 N 0.48 0.93 -0.23 -0.27 2.02 -1.26 -0.70 112.91 113.88 1ocr h THR 166 Ca 0.17 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 1ocr h THR 166 Cb 0.04 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 1ocr h THR 166 CO -0.09 0.10 0.02 0.40 0.37 0.00 0.00 175.52 176.32 1ocr h ILE 167 N 0.58 1.24 -0.11 3.11 2.04 -0.69 -1.59 117.51 122.09 1ocr h ILE 167 Ca 0.28 -0.83 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 1ocr h ILE 167 Cb 0.20 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1ocr h ILE 167 CO -0.19 0.26 -0.09 0.71 0.00 0.00 0.00 178.15 178.83 1ocr h THR 168 N 0.17 1.13 -0.54 -0.27 1.35 -0.53 0.57 112.91 114.79 1ocr h THR 168 Ca 0.07 -0.57 -0.11 0.00 -0.55 0.00 0.00 66.41 65.24 1ocr h THR 168 Cb 0.37 1.16 -0.02 0.00 -1.73 0.00 0.00 68.15 67.93 1ocr h THR 168 CO 0.01 0.18 -0.09 -0.07 -0.25 0.00 0.00 175.52 175.29 1ocr h LEU 169 N 0.15 1.00 -0.55 3.87 3.38 -0.82 0.29 115.31 122.64 1ocr h LEU 169 Ca 0.03 -0.32 -0.15 0.00 0.09 0.00 0.00 57.88 57.53 1ocr h LEU 169 Cb 0.27 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1ocr h LEU 169 CO 0.01 1.10 -0.52 1.23 0.09 0.00 0.00 178.44 180.36 1ocr h GLY 170 N 0.95 0.60 1.00 0.83 0.00 -0.18 -1.52 103.07 104.75 1ocr h GLY 170 Ca 0.14 -0.68 -0.09 0.00 0.00 0.00 0.00 47.33 46.70 1ocr h GLY 170 CO 0.04 0.61 -0.09 -2.08 0.00 0.00 0.00 176.54 175.02 1ocr h VAL 171 N 0.43 1.27 -0.61 4.60 2.07 -0.49 -2.56 116.25 120.96 1ocr h VAL 171 Ca 0.01 -1.19 0.07 0.00 0.82 0.00 0.00 66.70 66.42 1ocr h VAL 171 Cb 1.05 1.17 -0.06 0.00 -1.52 0.00 0.00 31.29 31.93 1ocr h VAL 171 CO 0.10 0.40 0.28 0.22 0.02 0.00 0.00 177.57 178.59 1ocr h TYR 172 N 0.64 0.50 -0.87 1.57 3.20 -0.16 -0.90 116.97 120.96 1ocr h TYR 172 Ca 0.11 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.01 1ocr h TYR 172 Cb 0.62 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 1ocr h TYR 172 CO 0.05 0.19 0.57 0.35 -1.64 0.00 0.00 178.16 177.69 1ocr h PHE 173 N 0.51 1.09 -0.40 -3.82 3.04 -1.07 -0.59 116.94 115.71 1ocr h PHE 173 Ca 0.29 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.26 1ocr h PHE 173 Cb 0.28 -0.37 -0.02 0.00 2.56 0.00 0.00 35.95 38.40 1ocr h PHE 173 CO -0.12 0.68 0.24 1.15 -2.02 0.00 0.00 178.31 178.24 1ocr h THR 174 N 1.17 1.13 -0.26 4.41 2.02 -0.80 0.12 112.91 120.71 1ocr h THR 174 Ca 0.32 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 1ocr h THR 174 Cb -0.13 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 1ocr h THR 174 CO -0.07 0.13 0.09 -0.07 0.37 0.00 0.00 175.52 175.97 1ocr h LEU 175 N 0.52 0.37 -0.43 2.58 3.38 -0.77 0.66 115.31 121.61 1ocr h LEU 175 Ca 0.14 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1ocr h LEU 175 Cb 0.00 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1ocr h LEU 175 CO -0.03 0.46 0.25 -0.07 0.09 0.00 0.00 178.44 179.14 1ocr h LEU 176 N 0.26 0.40 -0.85 1.67 3.38 -0.84 -0.83 115.31 118.50 1ocr h LEU 176 Ca 0.08 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1ocr h LEU 176 Cb 0.21 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1ocr h LEU 176 CO -0.00 0.29 0.21 -0.61 0.09 0.00 0.00 178.44 178.41 1ocr h GLN 177 N 0.51 1.06 -0.74 1.13 5.75 -0.53 -1.29 115.11 121.00 1ocr h GLN 177 Ca 0.17 -0.22 -0.05 0.00 -0.15 0.00 0.00 58.65 58.40 1ocr h GLN 177 Cb 0.02 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.38 1ocr h GLN 177 CO -0.09 0.91 0.27 0.00 -2.65 0.00 0.00 178.83 177.27 1ocr h ALA 178 N 1.20 0.97 -0.33 3.38 0.00 -0.30 -1.45 119.26 122.73 1ocr h ALA 178 Ca 0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ocr h ALA 178 Cb 0.30 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1ocr h ALA 178 CO -0.01 0.62 0.17 1.03 0.00 0.00 0.00 179.25 181.06 1ocr h SER 179 N 1.08 0.43 -0.82 0.00 0.87 -0.62 -2.51 113.55 111.97 1ocr h SER 179 Ca 0.24 -0.11 0.02 0.00 -1.23 0.00 0.00 61.79 60.72 1ocr h SER 179 Cb 0.26 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.06 1ocr h SER 179 CO -0.01 0.42 0.53 -0.33 -0.53 0.00 0.00 176.83 176.91 1ocr h GLU 180 N 0.41 1.02 -0.50 2.24 4.39 -0.97 -0.35 114.58 120.82 1ocr h GLU 180 Ca 0.12 -0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.81 1ocr h GLU 180 Cb 0.09 -0.23 -0.05 0.00 -0.10 0.00 0.00 28.75 28.47 1ocr h GLU 180 CO -0.02 0.68 0.22 1.88 -1.16 0.00 0.00 179.01 180.62 1ocr h TYR 181 N 1.06 0.40 -0.49 4.33 -1.99 -0.98 0.71 116.97 120.01 1ocr h TYR 181 Ca 0.32 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 61.02 1ocr h TYR 181 Cb -0.03 -0.11 -0.02 0.00 2.00 0.00 0.00 36.73 38.57 1ocr h TYR 181 CO -0.02 0.18 0.10 -0.92 -0.00 0.00 0.00 178.16 177.49 1ocr h TYR 182 N 0.44 0.85 0.00 4.88 3.20 -0.92 -3.01 116.97 122.41 1ocr h TYR 182 Ca 0.23 -0.11 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 1ocr h TYR 182 Cb 0.18 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.21 1ocr h TYR 182 CO -0.12 0.77 -0.09 0.93 -1.64 0.00 0.00 178.16 178.00 1ocr h GLU 183 N 0.68 0.00 -6.72 1.82 4.39 -0.62 -3.46 114.58 110.67 1ocr h GLU 183 Ca 0.15 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.33 1ocr h GLU 183 Cb 0.37 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 29.09 1ocr h GLU 183 CO 0.01 0.09 0.96 0.00 -1.16 0.00 0.00 179.01 178.91 1ocr n ALA 184 N -2.14 2.75 1.76 3.43 0.00 0.20 -4.89 120.51 121.62 1ocr n ALA 184 Ca 0.02 0.39 0.14 0.00 0.00 0.00 0.00 53.44 53.99 1ocr n ALA 184 Cb 0.44 -2.50 0.84 0.00 0.00 0.00 0.00 19.45 18.22 1ocr n ALA 184 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ocr n PRO 185 N 3.17 0.88 -4.35 0.00 -0.04 -1.26 -4.80 135.00 128.60 1ocr n PRO 185 Ca 0.13 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.40 1ocr n PRO 185 Cb 0.36 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.22 1ocr n PRO 185 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1ocr s PHE 186 N -2.01 1.67 0.42 0.54 -0.71 -1.26 -4.88 117.98 111.75 1ocr s PHE 186 Ca 0.42 -0.68 0.04 0.00 -1.04 0.00 0.00 56.93 55.67 1ocr s PHE 186 Cb 0.19 -0.86 -0.01 0.00 -1.21 0.00 0.00 43.02 41.13 1ocr s PHE 186 CO 0.33 0.24 0.14 0.25 -1.34 0.00 0.00 175.22 174.83 1ocr n THR 187 N -0.41 0.00 0.23 -4.49 -2.24 -1.26 -5.01 114.28 101.10 1ocr n THR 187 Ca -0.07 -2.39 0.08 0.00 -2.27 0.00 0.00 64.05 59.40 1ocr n THR 187 Cb 0.62 0.84 0.56 0.00 -2.10 0.00 0.00 70.33 70.24 1ocr n THR 187 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1ocr h ILE 188 N 1.65 0.86 -0.07 2.28 2.10 -1.95 -1.85 117.51 120.53 1ocr h ILE 188 Ca -0.33 -0.82 0.00 0.00 1.08 0.00 0.00 64.86 64.80 1ocr h ILE 188 Cb 1.23 1.48 0.00 0.00 -1.09 0.00 0.00 36.82 38.44 1ocr h ILE 188 CO 0.52 0.21 0.00 -1.54 -1.08 0.00 0.00 178.15 176.26 1ocr n SER 189 N -3.86 0.64 -3.54 2.19 3.41 -1.26 -3.24 113.62 107.97 1ocr n SER 189 Ca -0.02 -1.60 -0.40 0.00 -0.26 0.00 0.00 58.87 56.59 1ocr n SER 189 Cb 0.31 -0.05 -0.01 0.00 -0.26 0.00 0.00 64.21 64.20 1ocr n SER 189 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ocr n ASP 190 N -0.33 7.52 -0.46 4.04 8.00 -0.69 -4.97 116.55 129.65 1ocr n ASP 190 Ca 0.13 -3.07 0.00 0.00 0.71 0.00 0.00 54.79 52.56 1ocr n ASP 190 Cb 0.16 -1.41 0.00 0.00 -0.02 0.00 0.00 41.12 39.85 1ocr n ASP 190 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ocr n GLY 191 N 2.17 -0.45 0.28 0.44 0.00 -1.26 -2.34 105.19 104.03 1ocr n GLY 191 Ca 0.60 -1.01 0.13 0.00 0.00 0.00 0.00 46.02 45.74 1ocr n GLY 191 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1ocr h VAL 192 N 0.00 0.63 -0.02 1.61 3.04 -1.93 -0.53 116.25 119.05 1ocr h VAL 192 Ca 0.00 -0.14 -0.01 0.00 -1.01 0.00 0.00 66.70 65.54 1ocr h VAL 192 Cb 0.00 1.09 -0.00 0.00 -2.01 0.00 0.00 31.29 30.36 1ocr h VAL 192 CO 0.00 0.03 -0.02 0.22 -1.01 0.00 0.00 177.57 176.79 1ocr h TYR 193 N 0.00 0.05 -0.05 3.17 5.03 -1.95 -1.82 116.97 121.39 1ocr h TYR 193 Ca -0.00 -0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.18 1ocr h TYR 193 Cb 0.08 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.34 1ocr h TYR 193 CO 0.00 0.53 -0.47 0.78 -1.32 0.00 0.00 178.16 177.68 1ocr h GLY 194 N -0.45 0.13 0.87 1.82 0.00 -1.07 -2.07 103.07 102.30 1ocr h GLY 194 Ca 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.16 1ocr h GLY 194 CO 0.00 0.12 -0.42 1.76 0.00 0.00 0.00 176.54 178.00 1ocr h SER 195 N 0.10 -0.99 -0.42 0.19 0.02 -1.06 -2.03 113.55 109.35 1ocr h SER 195 Ca 0.00 0.03 0.08 0.00 -0.84 0.00 0.00 61.79 61.07 1ocr h SER 195 Cb 0.88 0.26 -0.08 0.00 0.14 0.00 0.00 62.40 63.60 1ocr h SER 195 CO 0.07 -0.65 -0.07 0.74 -1.14 0.00 0.00 176.83 175.77 1ocr h THR 196 N -1.28 0.61 0.02 -2.27 2.02 -1.39 -1.77 112.91 108.85 1ocr h THR 196 Ca -0.12 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 1ocr h THR 196 Cb 0.90 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1ocr h THR 196 CO 0.20 0.01 -0.01 0.15 0.37 0.00 0.00 175.52 176.23 1ocr h PHE 197 N 0.03 -0.03 0.00 3.16 3.04 -1.40 -2.79 116.94 118.95 1ocr h PHE 197 Ca 0.20 -0.00 -0.18 0.00 3.98 0.00 0.00 57.97 61.97 1ocr h PHE 197 Cb 0.31 0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.81 1ocr h PHE 197 CO -0.34 0.09 -0.84 0.74 -2.02 0.00 0.00 178.31 175.94 1ocr h PHE 198 N -0.14 0.09 0.23 0.41 0.04 -1.27 -2.39 116.94 113.92 1ocr h PHE 198 Ca -0.00 -0.05 -0.33 0.00 2.80 0.00 0.00 57.97 60.39 1ocr h PHE 198 Cb 0.13 -0.01 0.03 0.00 2.20 0.00 0.00 35.95 38.30 1ocr h PHE 198 CO -0.04 0.87 -1.43 -0.39 -0.60 0.00 0.00 178.31 176.71 1ocr h VAL 199 N 0.03 1.31 0.50 -0.55 -1.51 -1.41 -0.97 116.25 113.65 1ocr h VAL 199 Ca -0.02 -2.72 -0.02 0.00 -1.23 0.00 0.00 66.70 62.71 1ocr h VAL 199 Cb 1.46 3.00 0.00 0.00 -2.13 0.00 0.00 31.29 33.63 1ocr h VAL 199 CO 0.12 0.81 -0.24 0.00 -1.23 0.00 0.00 177.57 177.03 1ocr h ALA 200 N 0.22 -0.67 0.00 5.19 0.00 -1.59 0.05 119.26 122.46 1ocr h ALA 200 Ca -0.24 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1ocr h ALA 200 Cb 2.13 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 20.17 1ocr h ALA 200 CO 0.27 -0.80 -0.22 1.79 0.00 0.00 0.00 179.25 180.29 1ocr h THR 201 N -0.82 0.50 -0.24 0.00 1.35 -1.58 -2.42 112.91 109.70 1ocr h THR 201 Ca -0.07 -1.16 -0.09 0.00 -0.55 0.00 0.00 66.41 64.54 1ocr h THR 201 Cb 0.58 1.82 -0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1ocr h THR 201 CO 0.11 0.21 -0.20 1.23 -0.25 0.00 0.00 175.52 176.63 1ocr h GLY 202 N 2.31 0.61 1.18 5.82 0.00 -0.94 0.15 103.07 112.21 1ocr h GLY 202 Ca -0.00 -0.60 -0.10 0.00 0.00 0.00 0.00 47.33 46.62 1ocr h GLY 202 CO 0.03 0.54 -0.07 0.74 0.00 0.00 0.00 176.54 177.78 1ocr h PHE 203 N 0.27 1.06 -0.59 5.60 0.04 -0.93 -0.15 116.94 122.24 1ocr h PHE 203 Ca 0.04 -0.20 -0.05 0.00 2.80 0.00 0.00 57.97 60.57 1ocr h PHE 203 Cb 0.74 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.59 1ocr h PHE 203 CO 0.07 0.98 0.19 1.25 -0.60 0.00 0.00 178.31 180.20 1ocr h HIS 204 N 0.87 0.95 -0.89 -0.55 2.76 -1.33 -0.27 115.15 116.68 1ocr h HIS 204 Ca 0.15 -0.09 0.04 0.00 -2.20 0.00 0.00 60.37 58.26 1ocr h HIS 204 Cb 0.61 -0.27 -0.05 0.00 1.55 0.00 0.00 27.41 29.24 1ocr h HIS 204 CO 0.04 0.78 0.59 0.78 -1.30 0.00 0.00 177.93 178.82 1ocr h GLY 205 N 0.83 1.28 1.36 5.26 0.00 -0.21 0.67 103.07 112.26 1ocr h GLY 205 Ca 0.19 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 1ocr h GLY 205 CO -0.01 0.38 -0.07 -2.00 0.00 0.00 0.00 176.54 174.84 1ocr h LEU 206 N 1.11 0.75 -1.04 3.11 5.85 -0.19 -2.58 115.31 122.32 1ocr h LEU 206 Ca 0.36 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.78 1ocr h LEU 206 Cb 0.03 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1ocr h LEU 206 CO -0.11 0.86 -0.42 0.45 -0.34 0.00 0.00 178.44 178.87 1ocr h HIS 207 N 0.70 0.00 -0.03 1.25 3.86 0.77 -2.06 115.15 119.64 1ocr h HIS 207 Ca 0.13 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.23 1ocr h HIS 207 Cb 0.53 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.99 1ocr h HIS 207 CO 0.03 0.42 -0.46 0.28 0.86 0.00 0.00 177.93 179.06 1ocr h VAL 208 N 0.00 1.33 -0.01 2.45 2.07 -0.58 -0.54 116.25 120.96 1ocr h VAL 208 Ca -0.00 -1.60 -0.25 0.00 0.82 0.00 0.00 66.70 65.66 1ocr h VAL 208 Cb 0.86 1.83 0.02 0.00 -1.52 0.00 0.00 31.29 32.47 1ocr h VAL 208 CO 0.06 0.46 -1.00 0.40 0.02 0.00 0.00 177.57 177.51 1ocr h ILE 209 N 0.06 1.30 -0.26 4.57 2.04 -1.18 -1.76 117.51 122.28 1ocr h ILE 209 Ca 0.00 -2.26 -0.01 0.00 1.00 0.00 0.00 64.86 63.59 1ocr h ILE 209 Cb 0.84 2.35 -0.01 0.00 -0.74 0.00 0.00 36.82 39.25 1ocr h ILE 209 CO 0.06 0.70 0.12 0.40 0.00 0.00 0.00 178.15 179.43 1ocr h ILE 210 N 0.38 1.15 -0.70 -0.67 2.04 -1.20 -1.61 117.51 116.90 1ocr h ILE 210 Ca -0.11 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.26 1ocr h ILE 210 Cb 1.65 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 38.67 1ocr h ILE 210 CO 0.19 0.15 0.30 1.23 0.00 0.00 0.00 178.15 180.03 1ocr h GLY 211 N 0.28 1.10 0.89 5.37 0.00 -1.10 -1.75 103.07 107.85 1ocr h GLY 211 Ca 0.09 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 1ocr h GLY 211 CO -0.01 0.53 0.08 1.76 0.00 0.00 0.00 176.54 178.90 1ocr h SER 212 N 1.01 0.31 0.40 0.19 0.02 -1.00 -0.23 113.55 114.25 1ocr h SER 212 Ca 0.24 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.94 1ocr h SER 212 Cb 0.16 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1ocr h SER 212 CO -0.02 0.41 -0.35 0.71 -1.14 0.00 0.00 176.83 176.44 1ocr h THR 213 N 0.20 1.18 -0.52 -2.27 1.35 -1.12 0.21 112.91 111.95 1ocr h THR 213 Ca 0.07 -1.21 -0.04 0.00 -0.55 0.00 0.00 66.41 64.68 1ocr h THR 213 Cb 0.20 1.67 -0.02 0.00 -1.73 0.00 0.00 68.15 68.26 1ocr h THR 213 CO -0.00 0.34 0.19 0.15 -0.25 0.00 0.00 175.52 175.94 1ocr h PHE 214 N 0.00 0.81 -0.08 4.73 3.04 -0.84 0.19 116.94 124.80 1ocr h PHE 214 Ca -0.00 -0.07 -0.12 0.00 3.98 0.00 0.00 57.97 61.75 1ocr h PHE 214 Cb 0.64 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.90 1ocr h PHE 214 CO 0.00 0.68 -0.50 -0.07 -2.02 0.00 0.00 178.31 176.40 1ocr h LEU 215 N 0.70 0.22 -0.58 0.59 3.38 -0.19 -1.16 115.31 118.26 1ocr h LEU 215 Ca 0.17 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1ocr h LEU 215 Cb 0.23 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1ocr h LEU 215 CO -0.01 0.69 0.01 0.40 0.09 0.00 0.00 178.44 179.62 1ocr h ILE 216 N 0.16 1.26 -0.42 1.22 2.04 0.62 0.54 117.51 122.94 1ocr h ILE 216 Ca 0.01 -1.13 0.01 0.00 1.00 0.00 0.00 64.86 64.75 1ocr h ILE 216 Cb 0.95 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 1ocr h ILE 216 CO 0.08 0.41 0.27 0.58 0.00 0.00 0.00 178.15 179.48 1ocr h VAL 217 N 0.92 1.09 -0.21 1.67 2.07 -0.26 0.68 116.25 122.20 1ocr h VAL 217 Ca 0.17 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1ocr h VAL 217 Cb 0.54 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1ocr h VAL 217 CO 0.03 0.10 0.09 0.00 0.02 0.00 0.00 177.57 177.81 1ocr h PHE 219 N 0.29 -0.27 -0.60 0.00 3.57 0.14 -1.84 116.94 118.24 1ocr h PHE 219 Ca 0.08 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 1ocr h PHE 219 Cb 0.05 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 1ocr h PHE 219 CO 0.00 -0.06 0.12 0.74 -2.23 0.00 0.00 178.31 176.88 1ocr h PHE 220 N -0.44 1.00 -0.53 0.41 0.04 -0.98 -0.84 116.94 115.59 1ocr h PHE 220 Ca -0.03 -0.11 -0.00 0.00 2.80 0.00 0.00 57.97 60.62 1ocr h PHE 220 Cb 0.34 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 38.18 1ocr h PHE 220 CO -0.02 0.84 0.33 0.00 -0.60 0.00 0.00 178.31 178.86 1ocr h ARG 221 N 0.91 0.71 -0.26 1.51 3.08 -1.15 -1.56 114.38 117.61 1ocr h ARG 221 Ca 0.19 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 60.02 1ocr h ARG 221 Cb 0.37 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1ocr h ARG 221 CO 0.01 0.50 -0.46 0.37 -1.07 0.00 0.00 179.97 179.31 1ocr h GLN 222 N 0.73 0.78 -0.75 0.04 5.75 -0.55 -1.14 115.11 119.98 1ocr h GLN 222 Ca 0.19 -0.49 0.14 0.00 -0.15 0.00 0.00 58.65 58.35 1ocr h GLN 222 Cb -0.04 0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.51 1ocr h GLN 222 CO -0.04 1.11 0.50 -0.07 -2.65 0.00 0.00 178.83 177.68 1ocr h LEU 223 N 0.53 0.42 -3.00 -2.39 3.38 -0.22 -0.88 115.31 113.16 1ocr h LEU 223 Ca 0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1ocr h LEU 223 Cb 1.07 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1ocr h LEU 223 CO 0.10 0.22 0.00 0.29 0.09 0.00 0.00 178.44 179.15 1ocr n LYS 224 N -4.48 4.05 -1.46 1.13 5.02 -0.84 -4.94 118.16 116.64 1ocr n LYS 224 Ca 0.14 -2.48 -0.16 0.00 -2.02 0.00 0.00 58.31 53.80 1ocr n LYS 224 Cb 0.49 -2.09 -0.07 0.00 -0.02 0.00 0.00 35.03 33.34 1ocr n LYS 224 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1ocr n PHE 225 N 0.51 0.00 0.09 2.13 3.01 -0.33 -4.87 117.46 117.99 1ocr n PHE 225 Ca 0.22 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.79 1ocr n PHE 225 Cb 0.99 -3.08 0.59 0.00 -0.01 0.00 0.00 39.48 37.97 1ocr n PHE 225 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1ocr h HIS 226 N 0.00 0.16 -3.16 1.38 3.86 -1.43 -3.43 115.15 112.53 1ocr h HIS 226 Ca -0.32 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.31 1ocr h HIS 226 Cb 1.25 -0.05 -0.05 0.00 1.06 0.00 0.00 27.41 29.62 1ocr h HIS 226 CO 0.58 0.09 -0.10 -0.06 0.86 0.00 0.00 177.93 179.30 1ocr s PHE 227 N -5.18 3.76 0.28 2.45 0.08 -1.26 -4.97 117.98 113.13 1ocr s PHE 227 Ca -0.06 1.15 0.08 0.00 0.12 0.00 0.00 56.93 58.22 1ocr s PHE 227 Cb 0.18 -2.40 -0.04 0.00 -0.57 0.00 0.00 43.02 40.19 1ocr s PHE 227 CO 0.71 0.59 0.13 0.95 -0.10 0.00 0.00 175.22 177.51 1ocr s THR 228 N -1.14 3.76 -0.40 0.64 -4.23 -1.07 -4.99 115.64 108.20 1ocr s THR 228 Ca 0.28 -1.62 0.15 0.00 -1.18 0.00 0.00 61.69 59.32 1ocr s THR 228 Cb -0.18 -3.12 0.15 0.00 1.34 0.00 0.00 72.50 70.69 1ocr s THR 228 CO 0.17 -0.31 1.44 -1.54 -0.54 0.00 0.00 174.62 173.84 1ocr n SER 229 N -1.11 0.38 0.00 3.99 3.41 -1.26 -2.70 113.62 116.33 1ocr n SER 229 Ca -0.06 0.67 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 1ocr n SER 229 Cb 0.59 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 1ocr n SER 229 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ocr n ASN 230 N -2.02 3.76 -3.98 4.04 5.03 -1.26 -4.42 115.26 116.42 1ocr n ASN 230 Ca -0.01 -0.10 -0.31 0.00 0.87 0.00 0.00 54.58 55.03 1ocr n ASN 230 Cb 0.05 0.96 -0.15 0.00 -1.02 0.00 0.00 39.78 39.62 1ocr n ASN 230 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 1ocr s HIS 231 N -1.71 3.01 -0.39 3.10 2.46 -1.10 -4.94 115.29 115.72 1ocr s HIS 231 Ca 0.00 -2.32 0.10 0.00 0.47 0.00 0.00 55.06 53.31 1ocr s HIS 231 Cb 0.00 -2.13 0.39 0.00 -0.13 0.00 0.00 32.58 30.72 1ocr s HIS 231 CO 0.00 -0.87 1.24 -2.39 -2.47 0.00 0.00 174.74 170.25 1ocr n HIS 232 N 4.49 -1.85 -0.24 3.88 1.44 -1.26 -2.60 115.22 119.07 1ocr n HIS 232 Ca -0.06 -2.15 0.06 0.00 -2.01 0.00 0.00 57.72 53.55 1ocr n HIS 232 Cb 0.43 1.22 0.30 0.00 0.12 0.00 0.00 29.99 32.06 1ocr n HIS 232 CO 0.00 0.00 0.00 0.35 -2.81 0.00 0.00 176.34 173.88 1ocr h PHE 233 N 2.33 0.89 -0.83 -1.40 3.57 -1.97 -1.06 116.94 118.48 1ocr h PHE 233 Ca -0.21 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.45 1ocr h PHE 233 Cb 1.24 -0.29 -0.06 0.00 2.79 0.00 0.00 35.95 39.63 1ocr h PHE 233 CO 0.23 0.46 0.54 0.78 -2.23 0.00 0.00 178.31 178.09 1ocr h GLY 234 N 0.87 0.99 1.03 2.40 0.00 -1.99 -0.80 103.07 105.57 1ocr h GLY 234 Ca 0.35 -0.25 -0.24 0.00 0.00 0.00 0.00 47.33 47.20 1ocr h GLY 234 CO -0.13 0.09 -0.96 -2.75 0.00 0.00 0.00 176.54 172.79 1ocr h PHE 235 N 0.59 0.85 -0.48 5.60 3.57 -1.62 -1.86 116.94 123.58 1ocr h PHE 235 Ca 0.41 -0.51 0.02 0.00 3.53 0.00 0.00 57.97 61.43 1ocr h PHE 235 Cb 0.74 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 1ocr h PHE 235 CO -0.00 1.35 0.28 0.93 -2.23 0.00 0.00 178.31 178.64 1ocr h GLU 236 N 0.11 0.55 -0.46 1.11 5.08 -0.94 0.67 114.58 120.69 1ocr h GLU 236 Ca -0.14 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1ocr h GLU 236 Cb 1.66 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.77 1ocr h GLU 236 CO 0.19 0.36 0.21 0.00 -1.00 0.00 0.00 179.01 178.77 1ocr h ALA 237 N 1.22 0.60 -0.98 3.43 0.00 -1.22 0.80 119.26 123.11 1ocr h ALA 237 Ca 0.20 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.09 1ocr h ALA 237 Cb 0.03 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.56 1ocr h ALA 237 CO -0.09 0.18 0.62 0.78 0.00 0.00 0.00 179.25 180.74 1ocr h GLY 238 N 0.61 1.55 0.90 0.00 0.00 -0.72 -0.48 103.07 104.92 1ocr h GLY 238 Ca 0.16 -0.41 -0.16 0.00 0.00 0.00 0.00 47.33 46.92 1ocr h GLY 238 CO -0.02 0.17 -0.57 0.00 0.00 0.00 0.00 176.54 176.11 1ocr h ALA 239 N 1.54 0.18 -0.34 3.60 0.00 0.02 -1.58 119.26 122.69 1ocr h ALA 239 Ca 0.48 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ocr h ALA 239 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1ocr h ALA 239 CO -0.24 0.42 0.21 -1.49 0.00 0.00 0.00 179.25 178.15 1ocr h TRP 240 N 0.13 0.44 -0.92 0.00 6.55 -0.42 -1.09 115.95 120.64 1ocr h TRP 240 Ca -0.05 0.00 0.02 0.00 0.95 0.00 0.00 58.89 59.81 1ocr h TRP 240 Cb 1.23 -0.15 -0.05 0.00 -0.86 0.00 0.00 29.16 29.34 1ocr h TRP 240 CO 0.12 0.31 0.61 -0.92 -1.05 0.00 0.00 178.44 177.51 1ocr h TYR 241 N 0.45 1.15 -0.66 0.49 3.20 -1.07 -1.85 116.97 118.68 1ocr h TYR 241 Ca 0.12 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.95 1ocr h TYR 241 Cb -0.01 -0.39 -0.03 0.00 1.54 0.00 0.00 36.73 37.85 1ocr h TYR 241 CO -0.04 0.70 0.14 2.35 -1.64 0.00 0.00 178.16 179.68 1ocr h TRP 242 N 1.22 1.12 -0.03 -3.82 2.91 -0.58 -1.45 115.95 115.32 1ocr h TRP 242 Ca 0.35 -0.14 -0.08 0.00 1.13 0.00 0.00 58.89 60.15 1ocr h TRP 242 Cb -0.09 -0.31 -0.01 0.00 -0.51 0.00 0.00 29.16 28.24 1ocr h TRP 242 CO -0.00 0.93 -0.37 0.45 -1.03 0.00 0.00 178.44 178.42 1ocr h HIS 243 N 0.98 0.06 0.15 2.65 3.86 -0.65 -1.39 115.15 120.82 1ocr h HIS 243 Ca 0.20 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.39 1ocr h HIS 243 Cb 0.38 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1ocr h HIS 243 CO 0.03 0.42 -0.07 0.35 0.86 0.00 0.00 177.93 179.52 1ocr h PHE 244 N 0.05 -0.19 -0.89 2.45 3.57 -0.82 0.55 116.94 121.66 1ocr h PHE 244 Ca 0.00 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.62 1ocr h PHE 244 Cb 0.68 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 39.42 1ocr h PHE 244 CO 0.00 0.05 0.57 0.28 -2.23 0.00 0.00 178.31 176.99 1ocr h VAL 245 N -0.42 0.90 -0.08 1.41 2.07 -0.96 0.26 116.25 119.43 1ocr h VAL 245 Ca -0.02 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1ocr h VAL 245 Cb 0.33 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1ocr h VAL 245 CO 0.03 0.14 0.01 -0.78 0.02 0.00 0.00 177.57 176.99 1ocr h ASP 246 N 0.78 0.13 -0.44 0.57 1.82 -0.90 -2.51 116.42 115.88 1ocr h ASP 246 Ca 0.43 -0.29 -0.05 0.00 -0.39 0.00 0.00 57.03 56.73 1ocr h ASP 246 Cb 0.57 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.53 1ocr h ASP 246 CO -0.19 0.39 0.08 0.58 -1.61 0.00 0.00 179.24 178.49 1ocr h VAL 247 N -0.13 1.24 -0.96 2.25 2.07 0.23 -2.64 116.25 118.31 1ocr h VAL 247 Ca 0.02 -0.86 0.07 0.00 0.82 0.00 0.00 66.70 66.76 1ocr h VAL 247 Cb 0.32 0.96 -0.07 0.00 -1.52 0.00 0.00 31.29 30.98 1ocr h VAL 247 CO 0.00 0.30 0.61 0.58 0.02 0.00 0.00 177.57 179.09 1ocr h VAL 248 N 0.58 1.05 -0.65 2.57 2.07 -0.98 -1.09 116.25 119.80 1ocr h VAL 248 Ca 0.13 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1ocr h VAL 248 Cb 0.36 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 29.96 1ocr h VAL 248 CO 0.01 0.20 0.40 -0.25 0.02 0.00 0.00 177.57 177.95 1ocr h TRP 249 N 1.10 0.85 -0.87 1.57 2.91 -1.12 -1.74 115.95 118.65 1ocr h TRP 249 Ca 0.42 0.00 0.10 0.00 1.13 0.00 0.00 58.89 60.55 1ocr h TRP 249 Cb 0.21 -0.28 -0.06 0.00 -0.51 0.00 0.00 29.16 28.51 1ocr h TRP 249 CO -0.01 0.57 0.56 -0.07 -1.03 0.00 0.00 178.44 178.47 1ocr h LEU 250 N 0.89 0.75 -0.33 0.65 3.38 -0.88 0.14 115.31 119.90 1ocr h LEU 250 Ca 0.24 0.02 -0.18 0.00 0.09 0.00 0.00 57.88 58.05 1ocr h LEU 250 Cb -0.04 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1ocr h LEU 250 CO -0.05 0.43 -0.50 -0.26 0.09 0.00 0.00 178.44 178.15 1ocr h PHE 251 N 0.82 1.11 0.34 1.13 -1.00 -0.91 -2.13 116.94 116.30 1ocr h PHE 251 Ca 0.41 -0.38 -0.02 0.00 2.81 0.00 0.00 57.97 60.80 1ocr h PHE 251 Cb 0.47 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 39.82 1ocr h PHE 251 CO -0.00 1.21 -0.18 -0.07 -1.61 0.00 0.00 178.31 177.66 1ocr h LEU 252 N 0.70 -0.42 -0.25 1.54 3.38 -0.44 0.11 115.31 119.93 1ocr h LEU 252 Ca 0.03 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1ocr h LEU 252 Cb 1.11 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.90 1ocr h LEU 252 CO 0.11 -0.29 -0.34 0.22 0.09 0.00 0.00 178.44 178.23 1ocr h TYR 253 N -0.48 -0.96 -0.42 1.13 3.20 -0.74 0.24 116.97 118.94 1ocr h TYR 253 Ca -0.04 0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.82 1ocr h TYR 253 Cb 0.37 0.46 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 1ocr h TYR 253 CO -0.06 -0.40 0.04 0.28 -1.64 0.00 0.00 178.16 176.38 1ocr h VAL 254 N -0.35 1.25 0.19 1.81 2.07 -1.30 0.43 116.25 120.34 1ocr h VAL 254 Ca 0.12 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 1ocr h VAL 254 Cb 0.55 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1ocr h VAL 254 CO -0.44 0.32 -0.09 0.28 0.02 0.00 0.00 177.57 177.66 1ocr h SER 255 N 0.55 -0.21 0.08 0.57 0.02 -0.20 -0.22 113.55 114.14 1ocr h SER 255 Ca 0.12 0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.94 1ocr h SER 255 Cb 0.41 0.05 0.02 0.00 0.14 0.00 0.00 62.40 63.02 1ocr h SER 255 CO 0.01 -0.01 -0.60 0.40 -1.14 0.00 0.00 176.83 175.50 1ocr h ILE 256 N -0.54 1.54 0.08 3.27 2.04 -0.70 0.60 117.51 123.80 1ocr h ILE 256 Ca -0.03 -2.36 -0.24 0.00 1.00 0.00 0.00 64.86 63.23 1ocr h ILE 256 Cb 0.19 3.07 0.02 0.00 -0.74 0.00 0.00 36.82 39.37 1ocr h ILE 256 CO 0.04 0.66 -0.98 1.88 0.00 0.00 0.00 178.15 179.75 1ocr h TYR 257 N -0.43 0.84 0.00 1.37 -1.99 -1.30 -3.27 116.97 112.19 1ocr h TYR 257 Ca -0.10 -0.51 0.00 0.00 2.00 0.00 0.00 58.73 60.12 1ocr h TYR 257 Cb 1.42 -0.07 0.00 0.00 2.00 0.00 0.00 36.73 40.08 1ocr h TYR 257 CO 0.20 1.36 0.00 1.87 -0.00 0.00 0.00 178.16 181.58 1ocr n TRP 258 N -3.97 0.00 -0.22 4.88 -0.00 0.10 -4.30 117.44 113.92 1ocr n TRP 258 Ca -0.13 0.00 -0.00 0.00 -0.00 0.00 0.00 57.50 57.37 1ocr n TRP 258 Cb 0.86 0.00 0.11 0.00 -0.00 0.00 0.00 31.31 32.29 1ocr n TRP 258 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 177.69 180.04 1ocr h TRP 259 N 0.00 0.58 0.00 5.87 7.01 -1.11 -2.57 115.95 125.73 1ocr h TRP 259 Ca 0.00 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.03 1ocr h TRP 259 Cb 0.00 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 26.90 1ocr h TRP 259 CO 0.00 0.22 0.00 0.41 -2.79 0.00 0.00 178.44 176.28 1ocr n GLY 260 N -1.29 1.14 0.00 2.65 0.00 0.21 -5.00 105.19 102.90 1ocr n GLY 260 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1ocr n GLY 260 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76