#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocr s HIS 2 N 0.00 3.44 0.00 7.33 4.02 -1.26 -4.25 115.29 124.57 1ocr s HIS 2 Ca 0.00 -1.61 0.00 0.00 1.02 0.00 0.00 55.06 54.47 1ocr s HIS 2 Cb 0.00 -3.95 0.00 0.00 -1.02 0.00 0.00 32.58 27.61 1ocr s HIS 2 CO 0.00 -1.16 0.00 0.41 1.02 0.00 0.00 174.74 175.01 1ocr n GLY 3 N 4.66 0.81 3.35 -2.22 0.00 -1.26 -5.08 105.19 105.46 1ocr n GLY 3 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1ocr n GLY 3 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ocr n SER 4 N 0.00 2.98 -4.30 1.61 3.41 -1.26 -4.92 113.62 111.14 1ocr n SER 4 Ca 0.00 -2.71 -0.35 0.00 -0.26 0.00 0.00 58.87 55.55 1ocr n SER 4 Cb 0.00 -1.47 -0.14 0.00 -0.26 0.00 0.00 64.21 62.34 1ocr n SER 4 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1ocr s HIS 5 N 7.83 3.03 0.57 7.33 3.76 -1.26 -4.93 115.29 131.61 1ocr s HIS 5 Ca 0.62 -1.06 -0.20 0.00 -0.15 0.00 0.00 55.06 54.28 1ocr s HIS 5 Cb 0.07 -2.13 -0.04 0.00 1.11 0.00 0.00 32.58 31.58 1ocr s HIS 5 CO 0.12 -0.58 1.24 -1.21 -0.85 0.00 0.00 174.74 173.45 1ocr s GLU 6 N 1.46 3.07 0.78 1.40 2.02 -1.26 -5.04 118.70 121.11 1ocr s GLU 6 Ca 0.04 1.92 -0.10 0.00 0.02 0.00 0.00 54.97 56.86 1ocr s GLU 6 Cb -0.15 -2.05 0.09 0.00 0.10 0.00 0.00 34.13 32.11 1ocr s GLU 6 CO -0.02 -1.15 1.12 0.95 0.02 0.00 0.00 175.26 176.17 1ocr s THR 7 N -1.51 2.12 0.18 3.63 -4.23 -1.26 -4.84 115.64 109.73 1ocr s THR 7 Ca 0.75 -0.14 -0.13 0.00 -1.18 0.00 0.00 61.69 60.99 1ocr s THR 7 Cb -0.33 -2.99 0.07 0.00 1.34 0.00 0.00 72.50 70.60 1ocr s THR 7 CO 0.37 0.00 1.83 0.44 -0.54 0.00 0.00 174.62 176.71 1ocr h ASP 8 N -0.90 0.56 -0.97 3.99 3.32 -1.99 -1.86 116.42 118.57 1ocr h ASP 8 Ca -0.45 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.61 1ocr h ASP 8 Cb 1.31 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 40.69 1ocr h ASP 8 CO 0.60 0.40 0.64 -0.33 -1.72 0.00 0.00 179.24 178.82 1ocr h GLU 9 N 0.67 1.28 -0.18 3.56 3.07 -1.99 0.57 114.58 121.56 1ocr h GLU 9 Ca 0.21 -0.08 -0.04 0.00 -0.50 0.00 0.00 59.36 58.94 1ocr h GLU 9 Cb -0.02 -0.29 -0.01 0.00 -0.84 0.00 0.00 28.75 27.60 1ocr h GLU 9 CO -0.07 0.85 -0.06 0.93 -1.40 0.00 0.00 179.01 179.26 1ocr h GLU 10 N 1.32 0.36 -0.67 2.33 5.08 -1.86 -0.46 114.58 120.68 1ocr h GLU 10 Ca 0.35 -0.15 0.08 0.00 -1.00 0.00 0.00 59.36 58.65 1ocr h GLU 10 Cb -0.14 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.02 1ocr h GLU 10 CO -0.08 0.64 0.33 0.35 -1.00 0.00 0.00 179.01 179.26 1ocr h PHE 11 N 0.07 0.59 0.32 4.33 3.04 -0.77 0.77 116.94 125.29 1ocr h PHE 11 Ca 0.04 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.01 1ocr h PHE 11 Cb 0.51 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.86 1ocr h PHE 11 CO 0.06 0.22 -0.16 -0.44 -2.02 0.00 0.00 178.31 175.97 1ocr h ASP 12 N 0.58 -0.37 -0.62 0.41 3.32 -0.69 -2.58 116.42 116.48 1ocr h ASP 12 Ca 0.33 -0.09 0.11 0.00 0.02 0.00 0.00 57.03 57.40 1ocr h ASP 12 Cb 0.33 0.10 -0.08 0.00 0.22 0.00 0.00 39.33 39.89 1ocr h ASP 12 CO -0.25 -0.13 0.17 0.00 -1.72 0.00 0.00 179.24 177.31 1ocr h ALA 13 N 0.02 0.76 -0.77 3.45 0.00 -0.67 -0.23 119.26 121.82 1ocr h ALA 13 Ca -0.04 0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.09 1ocr h ALA 13 Cb 0.44 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1ocr h ALA 13 CO 0.07 -0.27 0.50 -0.09 0.00 0.00 0.00 179.25 179.47 1ocr h ARG 14 N 0.31 0.65 0.08 0.00 2.43 -0.72 0.98 114.38 118.10 1ocr h ARG 14 Ca 0.32 -0.04 -0.28 0.00 -0.81 0.00 0.00 59.98 59.18 1ocr h ARG 14 Cb 0.46 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1ocr h ARG 14 CO -0.38 0.43 -1.37 -1.49 -1.51 0.00 0.00 179.97 175.64 1ocr h TRP 15 N 0.67 0.31 -0.03 2.20 4.06 -0.81 -2.14 115.95 120.20 1ocr h TRP 15 Ca 0.36 -0.22 -0.00 0.00 2.06 0.00 0.00 58.89 61.08 1ocr h TRP 15 Cb 0.50 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 28.64 1ocr h TRP 15 CO -0.00 1.23 0.01 0.28 -3.56 0.00 0.00 178.44 176.40 1ocr h VAL 16 N 0.05 1.11 -0.64 1.49 2.07 -0.25 -1.59 116.25 118.50 1ocr h VAL 16 Ca -0.17 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.04 1ocr h VAL 16 Cb 1.95 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 32.97 1ocr h VAL 16 CO 0.15 0.09 0.40 0.74 0.02 0.00 0.00 177.57 178.97 1ocr h THR 17 N -0.09 1.10 -0.47 2.57 2.02 -0.92 -0.81 112.91 116.30 1ocr h THR 17 Ca 0.01 -0.27 0.05 0.00 0.77 0.00 0.00 66.41 66.97 1ocr h THR 17 Cb 0.13 0.24 -0.05 0.00 -1.74 0.00 0.00 68.15 66.73 1ocr h THR 17 CO -0.00 0.14 0.21 0.22 0.37 0.00 0.00 175.52 176.47 1ocr h TYR 18 N 0.79 0.39 0.00 3.16 5.03 -1.01 -2.34 116.97 122.98 1ocr h TYR 18 Ca 0.25 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.58 1ocr h TYR 18 Cb -0.00 -0.10 0.00 0.00 1.55 0.00 0.00 36.73 38.17 1ocr h TYR 18 CO -0.05 0.17 0.00 0.74 -1.32 0.00 0.00 178.16 177.71 1ocr h PHE 19 N 0.42 0.00 -0.00 -3.82 0.04 -0.90 -3.23 116.94 109.46 1ocr h PHE 19 Ca 0.21 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.98 1ocr h PHE 19 Cb 0.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.31 1ocr h PHE 19 CO -0.12 0.00 -0.16 0.09 -0.60 0.00 0.00 178.31 177.52 1ocr n ASN 20 N -2.95 0.17 -4.64 2.17 3.02 -0.35 -4.48 115.26 108.21 1ocr n ASN 20 Ca 0.04 0.21 -0.50 0.00 -0.03 0.00 0.00 54.58 54.30 1ocr n ASN 20 Cb 0.50 -0.25 -0.05 0.00 -0.61 0.00 0.00 39.78 39.37 1ocr n ASN 20 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1ocr n LYS 21 N -1.47 1.84 -0.16 3.52 4.81 -1.01 -4.82 118.16 120.87 1ocr n LYS 21 Ca 0.07 0.64 0.09 0.00 -0.87 0.00 0.00 58.31 58.25 1ocr n LYS 21 Cb 0.33 -2.59 0.41 0.00 0.02 0.00 0.00 35.03 33.20 1ocr n LYS 21 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1ocr h PRO 22 N 9.97 0.60 -0.98 1.64 0.13 -1.93 -2.49 132.00 138.94 1ocr h PRO 22 Ca -0.44 -0.04 -0.46 0.00 -0.87 0.00 0.00 66.00 64.20 1ocr h PRO 22 Cb 1.28 -0.14 -0.27 0.00 0.13 0.00 0.00 31.00 32.01 1ocr h PRO 22 CO 0.96 0.40 0.58 -0.40 -0.23 0.00 0.00 178.00 179.31 1ocr n ASP 23 N -4.49 3.79 -4.72 1.44 5.75 -1.26 -4.97 116.55 112.09 1ocr n ASP 23 Ca 0.11 -3.46 -0.42 0.00 -0.01 0.00 0.00 54.79 51.02 1ocr n ASP 23 Cb 0.31 -0.81 -0.03 0.00 -1.03 0.00 0.00 41.12 39.57 1ocr n ASP 23 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 1ocr s ILE 24 N -3.04 3.27 0.50 2.12 2.07 -0.94 -5.01 121.20 120.17 1ocr s ILE 24 Ca 0.53 0.96 0.09 0.00 -1.41 0.00 0.00 60.65 60.81 1ocr s ILE 24 Cb 0.44 -3.61 0.05 0.00 0.13 0.00 0.00 42.46 39.47 1ocr s ILE 24 CO 0.10 0.10 0.68 1.51 -1.91 0.00 0.00 174.94 175.42 1ocr s ASP 25 N 0.82 5.38 0.21 4.50 1.47 -1.26 -4.90 116.67 122.89 1ocr s ASP 25 Ca 0.62 -0.63 -0.09 0.00 1.18 0.00 0.00 52.55 53.63 1ocr s ASP 25 Cb -0.37 -0.19 0.25 0.00 -0.34 0.00 0.00 42.92 42.27 1ocr s ASP 25 CO 0.33 -1.05 1.80 0.00 0.68 0.00 0.00 175.17 176.94 1ocr h ALA 26 N 0.41 0.90 -0.51 2.11 0.00 -1.98 -1.52 119.26 118.67 1ocr h ALA 26 Ca -0.35 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.66 1ocr h ALA 26 Cb 1.28 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 1ocr h ALA 26 CO 0.43 0.03 0.17 2.35 0.00 0.00 0.00 179.25 182.23 1ocr h TRP 27 N 0.66 0.30 0.00 0.00 7.01 -1.99 0.87 115.95 122.80 1ocr h TRP 27 Ca 0.30 0.03 -0.07 0.00 2.11 0.00 0.00 58.89 61.26 1ocr h TRP 27 Cb 0.21 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.21 1ocr h TRP 27 CO -0.08 0.08 -0.32 0.93 -2.79 0.00 0.00 178.44 176.26 1ocr h GLU 28 N 0.34 0.00 -0.11 2.65 5.08 -1.75 0.14 114.58 120.93 1ocr h GLU 28 Ca 0.25 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.55 1ocr h GLU 28 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1ocr h GLU 28 CO -0.27 0.32 -0.16 1.25 -1.00 0.00 0.00 179.01 179.15 1ocr h LEU 29 N 0.00 0.34 0.21 1.33 7.12 -0.21 -0.30 115.31 123.80 1ocr h LEU 29 Ca -0.00 -0.52 -0.01 0.00 0.13 0.00 0.00 57.88 57.47 1ocr h LEU 29 Cb 0.83 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.87 1ocr h LEU 29 CO 0.04 0.80 -0.10 0.03 -0.13 0.00 0.00 178.44 179.07 1ocr h ARG 30 N -0.11 -0.28 -0.40 1.25 3.08 -0.67 -2.24 114.38 115.01 1ocr h ARG 30 Ca 0.01 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.16 1ocr h ARG 30 Cb 0.72 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.76 1ocr h ARG 30 CO 0.04 0.02 -0.11 -0.22 -1.07 0.00 0.00 179.97 178.63 1ocr h LYS 31 N -0.57 -0.01 -0.31 0.04 1.63 -0.77 0.12 116.57 116.70 1ocr h LYS 31 Ca -0.03 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.83 1ocr h LYS 31 Cb 0.42 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.99 1ocr h LYS 31 CO 0.05 -0.01 -0.08 0.78 -3.45 0.00 0.00 179.45 176.74 1ocr h GLY 32 N -0.01 0.22 0.64 5.01 0.00 -0.95 -1.45 103.07 106.53 1ocr h GLY 32 Ca 0.19 0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 1ocr h GLY 32 CO -0.41 -0.12 -0.12 -0.33 0.00 0.00 0.00 176.54 175.56 1ocr h MET 33 N -0.00 -0.32 -0.35 4.80 2.86 -0.78 -1.80 114.93 119.33 1ocr h MET 33 Ca 0.15 0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.91 1ocr h MET 33 Cb 0.23 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 1ocr h MET 33 CO -0.32 0.01 0.53 -0.91 1.06 0.00 0.00 176.91 177.29 1ocr h ASN 34 N -0.70 0.00 0.05 1.22 2.35 -0.64 0.52 115.58 118.39 1ocr h ASN 34 Ca -0.03 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.48 1ocr h ASN 34 Cb 0.48 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 1ocr h ASN 34 CO 0.06 0.00 -1.24 0.74 -1.65 0.00 0.00 177.43 175.33 1ocr h THR 35 N 0.00 1.02 -0.81 2.81 2.02 -1.14 -3.37 112.91 113.44 1ocr h THR 35 Ca 0.16 -2.29 0.19 0.00 0.77 0.00 0.00 66.41 65.24 1ocr h THR 35 Cb 1.23 2.55 -0.05 0.00 -1.74 0.00 0.00 68.15 70.13 1ocr h THR 35 CO -0.00 0.54 0.55 0.25 0.37 0.00 0.00 175.52 177.22 1ocr h LEU 36 N -0.66 0.30 -1.95 2.58 5.85 -0.03 -0.83 115.31 120.56 1ocr h LEU 36 Ca -0.30 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 1ocr h LEU 36 Cb 1.49 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.49 1ocr h LEU 36 CO -0.07 0.14 -0.01 0.58 -0.34 0.00 0.00 178.44 178.74 1ocr h VAL 37 N 0.31 0.04 -0.01 1.05 2.07 -1.49 -2.92 116.25 115.29 1ocr h VAL 37 Ca 0.40 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1ocr h VAL 37 Cb 1.11 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1ocr h VAL 37 CO -0.11 0.01 -0.09 0.61 0.02 0.00 0.00 177.57 178.00 1ocr n GLY 38 N -0.34 -0.71 3.93 2.17 0.00 -0.32 -4.88 105.19 105.05 1ocr n GLY 38 Ca -0.01 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.45 1ocr n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ocr s TYR 39 N -2.31 3.15 -1.22 1.61 2.02 -1.11 -4.99 117.35 114.51 1ocr s TYR 39 Ca 0.33 0.47 -0.11 0.00 -0.37 0.00 0.00 57.07 57.39 1ocr s TYR 39 Cb 0.20 -2.74 0.19 0.00 -0.40 0.00 0.00 41.96 39.22 1ocr s TYR 39 CO 0.44 -0.84 1.56 -3.47 -1.57 0.00 0.00 175.55 171.66 1ocr n ASP 40 N -2.52 5.31 0.00 2.29 2.03 -1.26 -4.87 116.55 117.52 1ocr n ASP 40 Ca 0.05 -3.06 0.00 0.00 0.52 0.00 0.00 54.79 52.30 1ocr n ASP 40 Cb 0.58 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.49 1ocr n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ocr n LEU 41 N 4.40 0.00 -4.47 -2.67 -0.00 -1.26 -5.10 117.00 107.89 1ocr n LEU 41 Ca 0.36 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 56.00 1ocr n LEU 41 Cb 0.39 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.69 1ocr n LEU 41 CO 0.68 0.00 -0.28 -0.69 -0.00 0.00 0.00 177.39 177.11 1ocr s VAL 42 N -2.00 4.39 0.45 1.47 1.01 -1.26 -4.96 120.40 119.50 1ocr s VAL 42 Ca 0.00 -0.15 -0.24 0.00 0.00 0.00 0.00 61.98 61.59 1ocr s VAL 42 Cb 0.00 -3.04 -0.09 0.00 0.00 0.00 0.00 36.38 33.24 1ocr s VAL 42 CO 0.00 0.35 1.09 -2.65 0.00 0.00 0.00 175.10 173.89 1ocr n PRO 43 N 4.73 1.46 -1.69 2.72 -0.02 -1.26 -4.93 135.00 136.00 1ocr n PRO 43 Ca -0.16 0.53 -0.37 0.00 -2.02 0.00 0.00 63.50 61.48 1ocr n PRO 43 Cb 0.52 -2.17 0.07 0.00 -0.02 0.00 0.00 33.50 31.90 1ocr n PRO 43 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ocr n GLU 44 N -0.06 1.06 -0.30 -0.52 -0.58 -1.26 -4.78 120.64 114.20 1ocr n GLU 44 Ca 0.09 0.42 0.06 0.00 -0.42 0.00 0.00 57.16 57.31 1ocr n GLU 44 Cb 0.40 -2.51 0.21 0.00 -0.57 0.00 0.00 31.44 28.98 1ocr n GLU 44 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1ocr h PRO 45 N 0.46 0.69 -0.09 3.49 0.11 -1.93 0.39 132.00 135.12 1ocr h PRO 45 Ca -0.51 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.59 1ocr h PRO 45 Cb 1.34 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ocr h PRO 45 CO 0.52 0.46 0.09 1.57 -0.21 0.00 0.00 178.00 180.43 1ocr h LYS 46 N 0.72 0.00 0.06 1.05 2.10 -1.96 0.26 116.57 118.80 1ocr h LYS 46 Ca 0.45 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.99 1ocr h LYS 46 Cb 0.56 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.91 1ocr h LYS 46 CO -0.32 0.00 -0.49 0.82 -2.00 0.00 0.00 179.45 177.46 1ocr h ILE 47 N 0.00 1.57 -0.94 0.07 2.04 -1.28 -2.88 117.51 116.10 1ocr h ILE 47 Ca 0.04 -2.31 0.04 0.00 1.00 0.00 0.00 64.86 63.63 1ocr h ILE 47 Cb 0.22 3.07 -0.06 0.00 -0.74 0.00 0.00 36.82 39.32 1ocr h ILE 47 CO -0.00 0.64 0.61 0.40 0.00 0.00 0.00 178.15 179.80 1ocr h ILE 48 N -0.50 1.14 0.32 -0.67 1.08 -0.64 -1.35 117.51 116.89 1ocr h ILE 48 Ca -0.08 -0.40 0.00 0.00 -0.39 0.00 0.00 64.86 64.00 1ocr h ILE 48 Cb 1.32 -0.12 -0.03 0.00 -3.07 0.00 0.00 36.82 34.93 1ocr h ILE 48 CO 0.09 0.21 -0.38 -0.78 -0.69 0.00 0.00 178.15 176.61 1ocr h ASP 49 N 1.16 -1.05 -0.31 1.72 3.58 -0.60 0.49 116.42 121.41 1ocr h ASP 49 Ca 0.38 0.10 0.06 0.00 0.42 0.00 0.00 57.03 57.99 1ocr h ASP 49 Cb 0.04 0.36 -0.06 0.00 1.72 0.00 0.00 39.33 41.39 1ocr h ASP 49 CO -0.13 -0.51 -0.08 0.00 -2.88 0.00 0.00 179.24 175.64 1ocr h ALA 50 N -0.29 0.20 -1.00 -0.78 0.00 -1.21 -0.69 119.26 115.49 1ocr h ALA 50 Ca -0.02 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1ocr h ALA 50 Cb 0.68 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 1ocr h ALA 50 CO -0.10 -0.46 0.66 0.00 0.00 0.00 0.00 179.25 179.34 1ocr h ALA 51 N 1.31 1.32 -0.98 0.00 0.00 -1.00 -0.06 119.26 119.86 1ocr h ALA 51 Ca 0.15 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1ocr h ALA 51 Cb 0.23 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1ocr h ALA 51 CO -0.32 0.60 0.65 -0.07 0.00 0.00 0.00 179.25 180.11 1ocr h LEU 52 N 1.30 1.13 -0.57 0.00 3.38 0.27 -1.28 115.31 119.55 1ocr h LEU 52 Ca 0.38 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 58.17 1ocr h LEU 52 Cb -0.07 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 1ocr h LEU 52 CO -0.10 0.82 -0.61 0.03 0.09 0.00 0.00 178.44 178.66 1ocr h ARG 53 N 1.33 0.37 -0.04 1.13 3.08 0.18 -2.03 114.38 118.39 1ocr h ARG 53 Ca 0.36 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 1ocr h ARG 53 Cb -0.15 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1ocr h ARG 53 CO -0.08 0.86 -0.15 0.00 -1.07 0.00 0.00 179.97 179.54 1ocr h ALA 54 N 1.08 1.68 -0.62 0.04 0.00 -0.35 -0.94 119.26 120.15 1ocr h ALA 54 Ca -0.01 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1ocr h ALA 54 Cb 1.14 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1ocr h ALA 54 CO 0.10 0.24 0.18 0.00 0.00 0.00 0.00 179.25 179.77 1ocr h ARG 56 N 0.89 0.18 -0.40 0.00 9.65 -0.84 0.67 114.38 124.52 1ocr h ARG 56 Ca 0.20 -0.02 0.06 0.00 -1.10 0.00 0.00 59.98 59.11 1ocr h ARG 56 Cb 0.31 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.83 1ocr h ARG 56 CO -0.00 0.21 0.27 0.00 2.80 0.00 0.00 179.97 183.25 1ocr h ARG 57 N 0.10 0.29 -0.25 0.20 3.08 -1.05 0.23 114.38 116.97 1ocr h ARG 57 Ca 0.04 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1ocr h ARG 57 Cb 0.09 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1ocr h ARG 57 CO -0.01 0.19 0.00 1.28 -1.07 0.00 0.00 179.97 180.36 1ocr n LEU 58 N -4.47 2.19 -3.79 3.04 4.77 -0.69 -4.95 117.00 113.10 1ocr n LEU 58 Ca 0.05 -0.95 -0.23 0.00 -0.03 0.00 0.00 56.01 54.85 1ocr n LEU 58 Cb 0.26 -0.16 0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1ocr n LEU 58 CO 0.35 0.47 -0.13 0.59 -1.33 0.00 0.00 177.39 177.34 1ocr n ASN 59 N 0.67 -1.10 -3.91 -1.43 3.02 0.79 -4.95 115.26 108.36 1ocr n ASN 59 Ca 0.17 -0.90 -0.30 0.00 -0.03 0.00 0.00 54.58 53.52 1ocr n ASN 59 Cb 0.40 -3.66 -0.14 0.00 -0.61 0.00 0.00 39.78 35.77 1ocr n ASN 59 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ocr s ASP 60 N -4.31 4.31 -0.00 6.41 -1.08 0.06 -4.97 116.67 117.09 1ocr s ASP 60 Ca 0.03 -2.50 -0.24 0.00 -0.52 0.00 0.00 52.55 49.31 1ocr s ASP 60 Cb -0.01 -1.44 -0.16 0.00 -1.46 0.00 0.00 42.92 39.85 1ocr s ASP 60 CO 0.84 -0.31 1.18 0.15 0.52 0.00 0.00 175.17 177.55 1ocr h PHE 61 N 7.09 -0.33 -0.80 -5.34 3.57 -1.93 -3.28 116.94 115.92 1ocr h PHE 61 Ca -0.06 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.62 1ocr h PHE 61 Cb 0.95 0.11 -0.14 0.00 2.79 0.00 0.00 35.95 39.66 1ocr h PHE 61 CO 0.47 0.02 0.03 0.00 -2.23 0.00 0.00 178.31 176.61 1ocr h ALA 62 N -0.18 0.88 -0.32 2.41 0.00 -1.98 0.23 119.26 120.30 1ocr h ALA 62 Ca -0.04 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1ocr h ALA 62 Cb 0.50 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1ocr h ALA 62 CO 0.06 -0.44 0.17 0.77 0.00 0.00 0.00 179.25 179.81 1ocr h SER 63 N 0.11 0.39 -0.52 0.00 0.02 -1.99 -0.34 113.55 111.21 1ocr h SER 63 Ca 0.45 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.31 1ocr h SER 63 Cb 0.82 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 1ocr h SER 63 CO -0.70 0.32 0.08 0.00 -1.14 0.00 0.00 176.83 175.39 1ocr h ALA 64 N 1.74 0.70 -0.19 3.77 0.00 -0.60 0.70 119.26 125.38 1ocr h ALA 64 Ca 0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1ocr h ALA 64 Cb 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1ocr h ALA 64 CO -0.02 0.45 0.03 0.28 0.00 0.00 0.00 179.25 179.99 1ocr h VAL 65 N 0.76 1.22 -0.35 0.00 2.07 -1.01 -2.55 116.25 116.39 1ocr h VAL 65 Ca 0.16 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 1ocr h VAL 65 Cb 0.42 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1ocr h VAL 65 CO 0.01 0.22 0.07 -0.09 0.02 0.00 0.00 177.57 177.81 1ocr h ARG 66 N 0.11 0.51 -0.48 1.57 2.43 -0.92 -0.64 114.38 116.95 1ocr h ARG 66 Ca 0.06 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1ocr h ARG 66 Cb 0.31 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1ocr h ARG 66 CO 0.00 0.48 0.21 0.82 -1.51 0.00 0.00 179.97 179.97 1ocr h ILE 67 N 0.50 1.17 -0.22 1.20 2.04 -0.68 -0.79 117.51 120.74 1ocr h ILE 67 Ca 0.12 -0.52 -0.15 0.00 1.00 0.00 0.00 64.86 65.31 1ocr h ILE 67 Cb 0.21 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1ocr h ILE 67 CO -0.00 0.21 -0.48 -0.07 0.00 0.00 0.00 178.15 177.81 1ocr h LEU 68 N 0.68 0.62 -0.74 1.44 3.38 -0.73 -2.64 115.31 117.31 1ocr h LEU 68 Ca 0.17 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1ocr h LEU 68 Cb 0.11 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1ocr h LEU 68 CO -0.02 1.00 0.48 -0.33 0.09 0.00 0.00 178.44 179.66 1ocr h GLU 69 N 0.45 0.99 -0.35 1.13 5.08 -0.46 -2.83 114.58 118.59 1ocr h GLU 69 Ca 0.02 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1ocr h GLU 69 Cb 1.00 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 1ocr h GLU 69 CO 0.09 0.67 0.16 0.28 -1.00 0.00 0.00 179.01 179.21 1ocr h VAL 70 N 1.01 0.97 -0.96 3.13 2.07 -0.98 -1.61 116.25 119.87 1ocr h VAL 70 Ca 0.27 -0.12 0.07 0.00 0.82 0.00 0.00 66.70 67.74 1ocr h VAL 70 Cb -0.09 0.60 -0.07 0.00 -1.52 0.00 0.00 31.29 30.21 1ocr h VAL 70 CO -0.06 0.06 0.61 0.58 0.02 0.00 0.00 177.57 178.79 1ocr h VAL 71 N 0.34 1.07 -0.45 2.57 2.07 -1.24 -0.72 116.25 119.89 1ocr h VAL 71 Ca 0.15 -0.38 -0.14 0.00 0.82 0.00 0.00 66.70 67.15 1ocr h VAL 71 Cb 0.07 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.69 1ocr h VAL 71 CO -0.12 0.20 -0.26 0.50 0.02 0.00 0.00 177.57 177.92 1ocr h LYS 72 N 1.11 0.97 -0.52 1.57 3.64 -1.30 -3.12 116.57 118.92 1ocr h LYS 72 Ca 0.42 -0.44 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1ocr h LYS 72 Cb 0.18 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1ocr h LYS 72 CO -0.18 1.11 0.24 0.22 -2.27 0.00 0.00 179.45 178.57 1ocr h ASP 73 N 0.83 0.70 0.75 4.20 3.58 -0.40 -2.80 116.42 123.28 1ocr h ASP 73 Ca 0.10 -0.15 -0.00 0.00 0.42 0.00 0.00 57.03 57.40 1ocr h ASP 73 Cb 0.84 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.71 1ocr h ASP 73 CO 0.07 0.65 -0.00 0.11 -2.88 0.00 0.00 179.24 177.19 1ocr h LYS 74 N 0.70 0.00 0.00 0.28 1.79 -1.16 -2.12 116.57 116.06 1ocr h LYS 74 Ca 0.18 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.60 1ocr h LYS 74 Cb 0.15 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.79 1ocr h LYS 74 CO -0.02 0.00 -0.22 0.00 -1.08 0.00 0.00 179.45 178.13 1ocr h ALA 75 N 2.00 0.95 -0.82 3.86 0.00 -1.43 -3.44 119.26 120.38 1ocr h ALA 75 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ocr h ALA 75 Cb 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ocr h ALA 75 CO 0.00 0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.94 1ocr n GLY 76 N 0.45 3.92 0.12 0.00 0.00 -0.80 -1.32 105.19 107.56 1ocr n GLY 76 Ca 0.01 0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.32 1ocr n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ocr h PRO 77 N 0.00 0.00 -5.30 1.61 0.13 -1.92 -3.41 132.00 123.12 1ocr h PRO 77 Ca 0.00 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.43 1ocr h PRO 77 Cb 0.00 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.02 1ocr h PRO 77 CO 0.00 0.00 2.05 0.72 -0.23 0.00 0.00 178.00 180.54 1ocr n HIS 78 N -2.33 4.59 0.11 1.56 8.25 -0.44 -4.83 115.22 122.12 1ocr n HIS 78 Ca 0.05 -2.99 0.06 0.00 -0.26 0.00 0.00 57.72 54.58 1ocr n HIS 78 Cb 0.39 -2.48 0.33 0.00 1.12 0.00 0.00 29.99 29.36 1ocr n HIS 78 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1ocr n LYS 79 N 7.25 0.08 0.08 -0.41 0.00 -1.26 -2.20 118.16 121.70 1ocr n LYS 79 Ca 0.46 0.55 0.12 0.00 -0.00 0.00 0.00 58.31 59.44 1ocr n LYS 79 Cb 0.44 -1.85 0.17 0.00 -0.00 0.00 0.00 35.03 33.79 1ocr n LYS 79 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1ocr h GLU 80 N 0.00 0.00 0.03 -1.58 3.07 -1.97 -3.38 114.58 110.75 1ocr h GLU 80 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1ocr h GLU 80 Cb 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 1ocr h GLU 80 CO 0.00 0.00 -0.01 0.82 -1.40 0.00 0.00 179.01 178.42 1ocr h ILE 81 N 0.00 1.20 0.64 3.13 2.04 -1.84 -3.10 117.51 119.58 1ocr h ILE 81 Ca 0.00 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.12 1ocr h ILE 81 Cb 0.79 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 1ocr h ILE 81 CO 0.00 0.18 -0.49 0.22 0.00 0.00 0.00 178.15 178.07 1ocr h TYR 82 N -0.35 -1.32 -0.95 1.37 3.20 -1.78 -1.17 116.97 115.98 1ocr h TYR 82 Ca -0.00 -0.00 0.24 0.00 3.14 0.00 0.00 58.73 62.11 1ocr h TYR 82 Cb 0.33 0.49 -0.13 0.00 1.54 0.00 0.00 36.73 38.96 1ocr h TYR 82 CO 0.03 -0.69 0.49 -1.35 -1.64 0.00 0.00 178.16 175.01 1ocr h PRO 83 N -1.09 0.45 -0.52 1.82 0.11 -1.77 0.50 132.00 131.50 1ocr h PRO 83 Ca -0.08 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.96 1ocr h PRO 83 Cb 0.90 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.89 1ocr h PRO 83 CO 0.02 0.30 0.15 -0.92 -0.21 0.00 0.00 178.00 177.34 1ocr h TYR 84 N 0.46 0.85 -0.43 0.65 3.20 -1.41 -0.42 116.97 119.87 1ocr h TYR 84 Ca 0.62 -0.09 -0.08 0.00 3.14 0.00 0.00 58.73 62.32 1ocr h TYR 84 Cb 1.21 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 1ocr h TYR 84 CO -0.07 0.73 -0.04 0.28 -1.64 0.00 0.00 178.16 177.43 1ocr h VAL 85 N 0.72 1.27 -0.86 1.81 2.07 0.11 -2.01 116.25 119.36 1ocr h VAL 85 Ca 0.17 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1ocr h VAL 85 Cb 0.29 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 1ocr h VAL 85 CO -0.00 0.37 0.55 0.40 0.02 0.00 0.00 177.57 178.91 1ocr h ILE 86 N 0.61 1.23 -0.18 4.57 1.08 -0.66 -1.83 117.51 122.33 1ocr h ILE 86 Ca 0.12 -0.45 0.03 0.00 -0.39 0.00 0.00 64.86 64.16 1ocr h ILE 86 Cb 0.54 -0.02 -0.03 0.00 -3.07 0.00 0.00 36.82 34.25 1ocr h ILE 86 CO 0.03 0.23 0.01 -0.61 -0.69 0.00 0.00 178.15 177.12 1ocr h GLN 87 N 1.17 0.08 0.00 2.37 4.15 -0.59 -0.49 115.11 121.80 1ocr h GLN 87 Ca 0.31 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.73 1ocr h GLN 87 Cb -0.10 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.57 1ocr h GLN 87 CO -0.06 0.05 0.00 0.93 -1.93 0.00 0.00 178.83 177.82 1ocr h GLU 88 N 0.08 0.00 -0.00 1.69 4.39 -0.98 -2.92 114.58 116.84 1ocr h GLU 88 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1ocr h GLU 88 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1ocr h GLU 88 CO -0.13 0.00 -0.57 1.28 -1.16 0.00 0.00 179.01 178.43 1ocr n LEU 89 N -2.81 1.04 -0.26 1.33 4.77 -0.72 -4.52 117.00 115.83 1ocr n LEU 89 Ca 0.02 -0.33 0.01 0.00 -0.03 0.00 0.00 56.01 55.68 1ocr n LEU 89 Cb 0.35 -0.11 0.09 0.00 -2.33 0.00 0.00 43.42 41.42 1ocr n LEU 89 CO 0.27 0.22 0.71 0.03 -1.33 0.00 0.00 177.39 177.29 1ocr h ARG 90 N 0.74 -0.01 -0.46 3.23 2.47 -0.91 0.14 114.38 119.59 1ocr h ARG 90 Ca 0.00 0.00 0.09 0.00 -1.26 0.00 0.00 59.98 58.81 1ocr h ARG 90 Cb 0.55 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 28.78 1ocr h ARG 90 CO 0.00 -0.00 -0.13 -1.35 0.56 0.00 0.00 179.97 179.04 1ocr h PRO 91 N -0.01 -0.02 -0.41 0.04 0.11 -1.83 0.08 132.00 129.96 1ocr h PRO 91 Ca 0.36 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.34 1ocr h PRO 91 Cb 0.56 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 1ocr h PRO 91 CO -0.79 -0.01 -0.27 1.15 -0.21 0.00 0.00 178.00 177.87 1ocr h THR 92 N -0.02 1.28 -1.00 -1.15 2.02 -1.52 0.12 112.91 112.62 1ocr h THR 92 Ca 0.22 -1.43 0.03 0.00 0.77 0.00 0.00 66.41 66.00 1ocr h THR 92 Cb 0.36 1.30 -0.06 0.00 -1.74 0.00 0.00 68.15 68.01 1ocr h THR 92 CO -0.48 0.48 0.66 -0.07 0.37 0.00 0.00 175.52 176.48 1ocr h LEU 93 N 0.73 1.11 -0.06 2.58 3.38 -0.24 -1.60 115.31 121.21 1ocr h LEU 93 Ca 0.08 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1ocr h LEU 93 Cb 0.85 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1ocr h LEU 93 CO 0.07 0.77 -0.05 0.78 0.09 0.00 0.00 178.44 180.11 1ocr h ASN 94 N 1.29 0.14 -0.85 -0.43 2.35 -0.72 -0.06 115.58 117.30 1ocr h ASN 94 Ca 0.39 -0.46 0.06 0.00 -0.55 0.00 0.00 56.30 55.74 1ocr h ASN 94 Cb -0.03 -0.04 -0.06 0.00 0.05 0.00 0.00 38.32 38.24 1ocr h ASN 94 CO -0.12 0.57 0.53 -0.08 -1.65 0.00 0.00 177.43 176.69 1ocr h GLU 95 N -0.29 0.94 -0.02 0.81 4.81 -0.72 -2.48 114.58 117.63 1ocr h GLU 95 Ca 0.01 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1ocr h GLU 95 Cb 0.53 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1ocr h GLU 95 CO 0.01 0.62 -0.23 1.28 -0.73 0.00 0.00 179.01 179.97 1ocr n LEU 96 N -4.62 2.08 -3.07 1.64 4.77 -0.62 -4.96 117.00 112.22 1ocr n LEU 96 Ca 0.12 -0.71 -0.20 0.00 -0.03 0.00 0.00 56.01 55.19 1ocr n LEU 96 Cb 0.17 -0.02 0.07 0.00 -2.33 0.00 0.00 43.42 41.31 1ocr n LEU 96 CO 0.31 0.37 0.20 0.61 -1.33 0.00 0.00 177.39 177.55 1ocr n GLY 97 N 1.35 -0.30 3.66 -0.72 0.00 -0.28 -4.96 105.19 103.94 1ocr n GLY 97 Ca 0.13 0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 1ocr n GLY 97 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ocr s ILE 98 N -3.26 4.99 0.17 -0.61 1.01 -0.19 -5.04 121.20 118.27 1ocr s ILE 98 Ca 0.48 1.28 -0.12 0.00 0.00 0.00 0.00 60.65 62.30 1ocr s ILE 98 Cb -0.21 -3.99 -0.07 0.00 0.01 0.00 0.00 42.46 38.20 1ocr s ILE 98 CO 0.60 0.10 0.53 -0.44 0.00 0.00 0.00 174.94 175.73 1ocr s SER 99 N 1.18 6.73 0.61 3.58 0.01 -1.26 -4.69 113.70 119.85 1ocr s SER 99 Ca 0.31 0.98 -0.14 0.00 1.31 0.00 0.00 55.95 58.41 1ocr s SER 99 Cb -0.16 -2.25 -0.04 0.00 0.21 0.00 0.00 66.02 63.78 1ocr s SER 99 CO 0.11 0.04 1.04 0.42 0.41 0.00 0.00 173.24 175.25 1ocr s THR 100 N -1.60 4.21 0.42 1.44 -4.23 -1.26 -4.77 115.64 109.85 1ocr s THR 100 Ca 0.41 0.90 0.15 0.00 -1.18 0.00 0.00 61.69 61.97 1ocr s THR 100 Cb -0.13 -3.56 0.35 0.00 1.34 0.00 0.00 72.50 70.50 1ocr s THR 100 CO 0.20 -0.76 1.92 -0.65 -0.54 0.00 0.00 174.62 174.79 1ocr h PRO 101 N 0.11 0.41 -0.38 3.99 0.11 -1.95 0.68 132.00 134.97 1ocr h PRO 101 Ca -0.45 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.49 1ocr h PRO 101 Cb 1.20 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1ocr h PRO 101 CO 0.59 0.27 -0.31 0.93 -0.21 0.00 0.00 178.00 179.27 1ocr h GLU 102 N 0.43 0.83 -0.53 1.05 3.07 -1.94 0.20 114.58 117.68 1ocr h GLU 102 Ca 0.37 -0.39 -0.10 0.00 -0.50 0.00 0.00 59.36 58.74 1ocr h GLU 102 Cb 0.82 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.70 1ocr h GLU 102 CO -0.12 1.02 -0.06 0.93 -1.40 0.00 0.00 179.01 179.38 1ocr h GLU 103 N 0.70 0.98 0.00 2.33 5.08 -1.28 -2.39 114.58 120.00 1ocr h GLU 103 Ca 0.08 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1ocr h GLU 103 Cb 0.86 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1ocr h GLU 103 CO 0.08 1.02 0.00 1.28 -1.00 0.00 0.00 179.01 180.38 1ocr n LEU 104 N -4.21 0.00 -0.46 1.33 4.77 -0.43 -4.89 117.00 113.10 1ocr n LEU 104 Ca 0.01 0.28 -0.06 0.00 -0.03 0.00 0.00 56.01 56.22 1ocr n LEU 104 Cb 0.37 -0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1ocr n LEU 104 CO 0.44 -0.03 -0.06 0.61 -1.33 0.00 0.00 177.39 177.02 1ocr n GLY 105 N 0.96 0.75 0.00 -0.72 0.00 -0.74 -4.93 105.19 100.50 1ocr n GLY 105 Ca 0.13 -0.79 0.15 0.00 0.00 0.00 0.00 46.02 45.51 1ocr n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ocr n LEU 106 N -0.66 0.00 -0.69 0.99 4.77 0.63 -3.04 117.00 118.99 1ocr n LEU 106 Ca -0.06 0.15 0.09 0.00 -0.03 0.00 0.00 56.01 56.17 1ocr n LEU 106 Cb 0.22 -0.15 0.28 0.00 -2.33 0.00 0.00 43.42 41.45 1ocr n LEU 106 CO 0.09 -0.00 0.72 -0.90 -1.33 0.00 0.00 177.39 175.96 1ocr n ASP 107 N -1.15 2.05 -3.94 -1.43 5.75 -1.24 -4.92 116.55 111.67 1ocr n ASP 107 Ca 0.19 -1.85 -0.30 0.00 -0.01 0.00 0.00 54.79 52.82 1ocr n ASP 107 Cb 0.18 -0.18 0.22 0.00 -1.03 0.00 0.00 41.12 40.30 1ocr n ASP 107 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1ocr s LYS 108 N -1.63 -0.52 0.00 0.11 -2.85 -1.17 -5.12 119.74 108.57 1ocr s LYS 108 Ca 0.31 -0.19 0.00 0.00 -1.00 0.00 0.00 55.97 55.09 1ocr s LYS 108 Cb 0.17 -1.69 0.00 0.00 -2.06 0.00 0.00 37.83 34.25 1ocr s LYS 108 CO 0.24 -3.22 0.08 1.33 0.10 0.00 0.00 175.35 173.88