#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 3.45 0.00 7.33 4.02 -1.26 -4.27 115.29 124.56 1ocr s HIS 2 Ca 0.00 -1.62 0.00 0.00 1.02 0.00 0.00 55.06 54.46 1ocr s HIS 2 Cb 0.00 -3.93 0.00 0.00 -1.02 0.00 0.00 32.58 27.63 1ocr s HIS 2 CO 0.00 -1.13 0.00 0.41 1.02 0.00 0.00 174.74 175.04 1ocr n GLY 3 N 4.63 0.82 3.31 -2.22 0.00 -1.26 -5.08 105.19 105.40 1ocr n GLY 3 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 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 3.07 -4.32 1.61 3.41 -1.26 -4.93 113.62 111.20 1ocr n SER 4 Ca 0.00 -2.72 -0.36 0.00 -0.26 0.00 0.00 58.87 55.53 1ocr n SER 4 Cb 0.00 -1.46 -0.14 0.00 -0.26 0.00 0.00 64.21 62.35 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 7.22 3.02 0.52 7.33 4.02 -1.26 -4.93 115.29 131.22 1ocr s HIS 5 Ca 0.61 -0.94 -0.21 0.00 1.02 0.00 0.00 55.06 55.53 1ocr s HIS 5 Cb 0.07 -2.15 -0.06 0.00 -1.02 0.00 0.00 32.58 29.43 1ocr s HIS 5 CO 0.11 -0.55 1.24 -1.21 1.02 0.00 0.00 174.74 175.35 1ocr s GLU 6 N 1.49 3.34 0.81 1.40 2.02 -1.26 -5.04 118.70 121.46 1ocr s GLU 6 Ca 0.05 1.94 -0.12 0.00 0.02 0.00 0.00 54.97 56.86 1ocr s GLU 6 Cb -0.15 -2.23 0.10 0.00 0.10 0.00 0.00 34.13 31.95 1ocr s GLU 6 CO -0.01 -0.94 1.17 0.95 0.02 0.00 0.00 175.26 176.45 1ocr s THR 7 N -1.48 2.05 0.17 3.63 -4.23 -1.26 -4.84 115.64 109.69 1ocr s THR 7 Ca 0.70 -0.06 -0.14 0.00 -1.18 0.00 0.00 61.69 61.01 1ocr s THR 7 Cb -0.33 -2.99 0.06 0.00 1.34 0.00 0.00 72.50 70.58 1ocr s THR 7 CO 0.39 0.00 1.82 0.44 -0.54 0.00 0.00 174.62 176.73 1ocr h ASP 8 N -1.07 0.53 -0.98 3.99 3.32 -1.99 -1.98 116.42 118.24 1ocr h ASP 8 Ca -0.45 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.61 1ocr h ASP 8 Cb 1.31 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 40.69 1ocr h ASP 8 CO 0.60 0.38 0.65 -0.33 -1.72 0.00 0.00 179.24 178.81 1ocr h GLU 9 N 0.63 1.26 -0.22 3.56 3.07 -1.99 0.89 114.58 121.79 1ocr h GLU 9 Ca 0.19 -0.08 -0.05 0.00 -0.50 0.00 0.00 59.36 58.93 1ocr h GLU 9 Cb -0.03 -0.28 -0.01 0.00 -0.84 0.00 0.00 28.75 27.59 1ocr h GLU 9 CO -0.07 0.83 -0.05 0.93 -1.40 0.00 0.00 179.01 179.25 1ocr h GLU 10 N 1.30 0.42 -0.56 2.33 5.08 -1.86 -0.07 114.58 121.23 1ocr h GLU 10 Ca 0.37 -0.16 0.07 0.00 -1.00 0.00 0.00 59.36 58.64 1ocr h GLU 10 Cb -0.11 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.05 1ocr h GLU 10 CO -0.09 0.66 0.22 0.35 -1.00 0.00 0.00 179.01 179.16 1ocr h PHE 11 N 0.15 0.40 0.29 4.33 3.57 -0.71 0.17 116.94 125.13 1ocr h PHE 11 Ca 0.06 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1ocr h PHE 11 Cb 0.51 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1ocr h PHE 11 CO 0.05 0.14 -0.14 -0.44 -2.23 0.00 0.00 178.31 175.69 1ocr h ASP 12 N 0.42 -0.33 -0.54 0.41 3.32 -0.63 -2.54 116.42 116.54 1ocr h ASP 12 Ca 0.27 -0.08 0.10 0.00 0.02 0.00 0.00 57.03 57.34 1ocr h ASP 12 Cb 0.28 0.08 -0.08 0.00 0.22 0.00 0.00 39.33 39.84 1ocr h ASP 12 CO -0.25 -0.12 0.07 0.00 -1.72 0.00 0.00 179.24 177.21 1ocr h ALA 13 N 0.16 0.58 -0.72 3.45 0.00 -0.57 0.56 119.26 122.71 1ocr h ALA 13 Ca -0.04 0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.11 1ocr h ALA 13 Cb 0.39 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1ocr h ALA 13 CO 0.06 -0.34 0.48 -0.09 0.00 0.00 0.00 179.25 179.36 1ocr h ARG 14 N 0.19 0.53 0.11 0.00 2.43 -0.53 0.88 114.38 117.99 1ocr h ARG 14 Ca 0.28 -0.03 -0.29 0.00 -0.81 0.00 0.00 59.98 59.12 1ocr h ARG 14 Cb 0.41 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1ocr h ARG 14 CO -0.40 0.35 -1.43 -1.49 -1.51 0.00 0.00 179.97 175.49 1ocr h TRP 15 N 0.55 0.43 -0.14 2.20 4.06 -0.71 -2.26 115.95 120.08 1ocr h TRP 15 Ca 0.34 -0.31 -0.00 0.00 2.06 0.00 0.00 58.89 60.98 1ocr h TRP 15 Cb 0.58 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.71 1ocr h TRP 15 CO -0.00 1.32 0.08 0.28 -3.56 0.00 0.00 178.44 176.56 1ocr h VAL 16 N 0.06 1.08 -0.68 1.49 2.07 0.06 -1.78 116.25 118.55 1ocr h VAL 16 Ca -0.20 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.13 1ocr h VAL 16 Cb 1.99 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 32.69 1ocr h VAL 16 CO 0.17 0.07 0.43 0.74 0.02 0.00 0.00 177.57 179.01 1ocr h THR 17 N 0.14 1.12 -0.37 2.57 2.02 -0.95 -0.97 112.91 116.48 1ocr h THR 17 Ca 0.05 -0.30 0.04 0.00 0.77 0.00 0.00 66.41 66.98 1ocr h THR 17 Cb 0.05 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 66.60 1ocr h THR 17 CO -0.01 0.16 0.12 0.22 0.37 0.00 0.00 175.52 176.38 1ocr h TYR 18 N 0.86 0.22 0.00 3.16 5.03 -0.92 -2.43 116.97 122.89 1ocr h TYR 18 Ca 0.27 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.59 1ocr h TYR 18 Cb -0.02 -0.04 -0.00 0.00 1.55 0.00 0.00 36.73 38.21 1ocr h TYR 18 CO -0.04 0.08 -0.03 0.74 -1.32 0.00 0.00 178.16 177.59 1ocr h PHE 19 N 0.27 0.00 -0.00 -3.82 0.04 -1.02 -3.22 116.94 109.19 1ocr h PHE 19 Ca 0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.94 1ocr h PHE 19 Cb 0.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.30 1ocr h PHE 19 CO -0.15 0.03 -0.09 0.09 -0.60 0.00 0.00 178.31 177.59 1ocr n ASN 20 N -3.11 0.11 -4.66 2.17 3.02 -0.39 -4.50 115.26 107.89 1ocr n ASN 20 Ca 0.03 0.28 -0.49 0.00 -0.03 0.00 0.00 54.58 54.38 1ocr n ASN 20 Cb 0.51 -0.34 -0.05 0.00 -0.61 0.00 0.00 39.78 39.30 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 -1.46 2.05 -0.19 3.52 4.81 -1.04 -4.83 118.16 121.02 1ocr n LYS 21 Ca 0.08 0.73 0.06 0.00 -0.87 0.00 0.00 58.31 58.31 1ocr n LYS 21 Cb 0.33 -2.65 0.35 0.00 0.02 0.00 0.00 35.03 33.08 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 9.73 0.75 -0.98 1.64 0.13 -1.93 -2.65 132.00 138.69 1ocr h PRO 22 Ca -0.46 -0.05 -0.43 0.00 -0.87 0.00 0.00 66.00 64.19 1ocr h PRO 22 Cb 1.28 -0.17 -0.26 0.00 0.13 0.00 0.00 31.00 31.98 1ocr h PRO 22 CO 0.96 0.50 0.54 -0.40 -0.23 0.00 0.00 178.00 179.37 1ocr n ASP 23 N -4.48 3.72 -4.72 1.44 5.75 -1.26 -4.97 116.55 112.04 1ocr n ASP 23 Ca 0.11 -3.37 -0.42 0.00 -0.01 0.00 0.00 54.79 51.10 1ocr n ASP 23 Cb 0.22 -0.79 -0.03 0.00 -1.03 0.00 0.00 41.12 39.49 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 -2.85 3.30 0.54 2.12 2.07 -1.00 -5.01 121.20 120.38 1ocr s ILE 24 Ca 0.49 0.96 0.07 0.00 -1.41 0.00 0.00 60.65 60.76 1ocr s ILE 24 Cb 0.41 -3.61 0.06 0.00 0.13 0.00 0.00 42.46 39.45 1ocr s ILE 24 CO 0.10 0.09 0.75 1.51 -1.91 0.00 0.00 174.94 175.47 1ocr s ASP 25 N 0.97 5.19 0.22 4.50 1.47 -1.26 -4.90 116.67 122.86 1ocr s ASP 25 Ca 0.63 -0.54 -0.09 0.00 1.18 0.00 0.00 52.55 53.73 1ocr s ASP 25 Cb -0.37 -0.19 0.21 0.00 -0.34 0.00 0.00 42.92 42.24 1ocr s ASP 25 CO 0.32 -1.21 1.86 0.00 0.68 0.00 0.00 175.17 176.82 1ocr h ALA 26 N 0.21 0.99 -0.62 2.11 0.00 -1.98 -1.43 119.26 118.56 1ocr h ALA 26 Ca -0.35 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.60 1ocr h ALA 26 Cb 1.28 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 1ocr h ALA 26 CO 0.43 0.28 0.30 2.35 0.00 0.00 0.00 179.25 182.61 1ocr h TRP 27 N 0.93 0.54 0.00 0.00 7.01 -1.99 -0.24 115.95 122.20 1ocr h TRP 27 Ca 0.30 0.03 -0.08 0.00 2.11 0.00 0.00 58.89 61.25 1ocr h TRP 27 Cb 0.01 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 26.91 1ocr h TRP 27 CO -0.03 0.22 -0.37 0.93 -2.79 0.00 0.00 178.44 176.40 1ocr h GLU 28 N 0.54 0.00 -0.18 2.65 5.08 -1.81 0.13 114.58 120.99 1ocr h GLU 28 Ca 0.29 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.55 1ocr h GLU 28 Cb 0.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1ocr h GLU 28 CO -0.23 0.37 -0.28 1.25 -1.00 0.00 0.00 179.01 179.12 1ocr h LEU 29 N 0.00 0.56 0.22 1.33 7.12 -0.18 -0.69 115.31 123.67 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 0.95 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.92 1ocr h LEU 29 CO 0.05 0.98 -0.10 0.03 -0.13 0.00 0.00 178.44 179.26 1ocr h ARG 30 N 0.17 -0.28 -0.46 1.25 3.08 -0.90 -2.23 114.38 115.01 1ocr h ARG 30 Ca 0.02 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.18 1ocr h ARG 30 Cb 0.86 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.89 1ocr h ARG 30 CO 0.06 0.06 -0.04 -0.22 -1.07 0.00 0.00 179.97 178.77 1ocr h LYS 31 N -0.67 0.07 -0.36 0.04 1.63 -0.80 0.10 116.57 116.58 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 0.47 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 32.03 1ocr h LYS 31 CO 0.05 0.04 0.01 0.78 -3.45 0.00 0.00 179.45 176.88 1ocr h GLY 32 N 0.07 0.36 0.50 5.01 0.00 -1.03 -1.61 103.07 106.37 1ocr h GLY 32 Ca 0.23 0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.59 1ocr h GLY 32 CO -0.41 -0.08 -0.04 -0.33 0.00 0.00 0.00 176.54 175.68 1ocr h MET 33 N 0.11 -0.10 -0.27 4.80 2.86 -0.73 -2.00 114.93 119.60 1ocr h MET 33 Ca 0.18 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.90 1ocr h MET 33 Cb 0.24 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1ocr h MET 33 CO -0.29 0.35 0.41 -0.91 1.06 0.00 0.00 176.91 177.53 1ocr h ASN 34 N -0.60 0.00 0.04 1.22 2.35 -0.69 -0.99 115.58 116.90 1ocr h ASN 34 Ca -0.01 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.52 1ocr h ASN 34 Cb 0.50 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 1ocr h ASN 34 CO 0.02 0.00 -1.15 0.74 -1.65 0.00 0.00 177.43 175.39 1ocr h THR 35 N 0.00 1.07 -0.81 2.81 2.02 -1.22 -3.37 112.91 113.42 1ocr h THR 35 Ca 0.13 -2.28 0.19 0.00 0.77 0.00 0.00 66.41 65.22 1ocr h THR 35 Cb 0.93 2.57 -0.05 0.00 -1.74 0.00 0.00 68.15 69.86 1ocr h THR 35 CO -0.00 0.51 0.55 0.25 0.37 0.00 0.00 175.52 177.20 1ocr h LEU 36 N -0.73 0.27 -1.30 2.58 5.85 -0.43 -0.88 115.31 120.68 1ocr h LEU 36 Ca -0.29 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1ocr h LEU 36 Cb 1.44 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.44 1ocr h LEU 36 CO -0.08 0.12 0.00 0.58 -0.34 0.00 0.00 178.44 178.72 1ocr h VAL 37 N 0.28 0.00 -0.01 1.05 2.07 -1.51 -2.91 116.25 115.22 1ocr h VAL 37 Ca 0.40 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.67 1ocr h VAL 37 Cb 1.16 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1ocr h VAL 37 CO -0.11 0.00 -0.07 0.61 0.02 0.00 0.00 177.57 178.02 1ocr n GLY 38 N -0.31 -0.36 3.95 2.17 0.00 -0.33 -4.88 105.19 105.42 1ocr n GLY 38 Ca 0.01 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.17 3.10 -1.21 1.61 2.02 -1.10 -4.99 117.35 114.61 1ocr s TYR 39 Ca 0.35 0.29 -0.10 0.00 -0.37 0.00 0.00 57.07 57.23 1ocr s TYR 39 Cb 0.21 -2.63 0.20 0.00 -0.40 0.00 0.00 41.96 39.34 1ocr s TYR 39 CO 0.40 -0.72 1.56 -3.47 -1.57 0.00 0.00 175.55 171.74 1ocr n ASP 40 N -2.36 5.36 0.00 2.29 2.03 -1.26 -4.88 116.55 117.73 1ocr n ASP 40 Ca 0.05 -3.09 0.00 0.00 0.52 0.00 0.00 54.79 52.27 1ocr n ASP 40 Cb 0.58 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 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 4.11 0.00 -4.47 -2.67 -0.00 -1.26 -5.10 117.00 107.60 1ocr n LEU 41 Ca 0.35 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.99 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 -0.26 -0.69 -0.00 0.00 0.00 177.39 177.12 1ocr s VAL 42 N -2.00 4.50 0.45 1.47 1.01 -1.26 -4.95 120.40 119.62 1ocr s VAL 42 Ca 0.00 -0.11 -0.23 0.00 0.00 0.00 0.00 61.98 61.64 1ocr s VAL 42 Cb 0.00 -3.11 -0.10 0.00 0.00 0.00 0.00 36.38 33.17 1ocr s VAL 42 CO 0.00 0.32 1.00 -2.65 0.00 0.00 0.00 175.10 173.77 1ocr n PRO 43 N 4.93 1.28 -1.79 2.72 -0.02 -1.26 -4.93 135.00 135.92 1ocr n PRO 43 Ca -0.16 0.46 -0.37 0.00 -2.02 0.00 0.00 63.50 61.41 1ocr n PRO 43 Cb 0.52 -2.07 0.06 0.00 -0.02 0.00 0.00 33.50 31.98 1ocr n PRO 43 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1ocr s GLU 44 N -2.14 2.79 0.28 -0.52 0.41 -1.26 -4.79 118.70 113.47 1ocr s GLU 44 Ca 0.65 2.09 0.01 0.00 -0.41 0.00 0.00 54.97 57.31 1ocr s GLU 44 Cb -0.53 -1.99 0.61 0.00 -1.78 0.00 0.00 34.13 30.44 1ocr s GLU 44 CO 0.55 -1.42 1.76 -1.35 -0.49 0.00 0.00 175.26 174.31 1ocr h PRO 45 N 0.88 0.60 -0.05 0.39 0.11 -1.93 0.14 132.00 132.15 1ocr h PRO 45 Ca -0.51 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.58 1ocr h PRO 45 Cb 1.32 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ocr h PRO 45 CO 0.55 0.40 0.06 1.57 -0.21 0.00 0.00 178.00 180.36 1ocr h LYS 46 N 0.62 0.00 0.17 1.05 2.10 -1.95 0.25 116.57 118.81 1ocr h LYS 46 Ca 0.50 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.91 1ocr h LYS 46 Cb 0.77 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.12 1ocr h LYS 46 CO -0.39 0.00 -1.11 0.82 -2.00 0.00 0.00 179.45 176.77 1ocr h ILE 47 N 0.00 1.37 -0.78 0.07 2.04 -1.08 -2.99 117.51 116.14 1ocr h ILE 47 Ca 0.02 -2.57 0.01 0.00 1.00 0.00 0.00 64.86 63.32 1ocr h ILE 47 Cb 0.14 3.09 -0.04 0.00 -0.74 0.00 0.00 36.82 39.27 1ocr h ILE 47 CO -0.00 0.75 0.52 0.40 0.00 0.00 0.00 178.15 179.81 1ocr h ILE 48 N -0.20 1.20 0.19 -0.67 1.08 -0.39 -1.57 117.51 117.16 1ocr h ILE 48 Ca -0.20 -0.37 0.01 0.00 -0.39 0.00 0.00 64.86 63.91 1ocr h ILE 48 Cb 1.83 0.05 -0.04 0.00 -3.07 0.00 0.00 36.82 35.59 1ocr h ILE 48 CO 0.18 0.20 -0.36 -0.78 -0.69 0.00 0.00 178.15 176.70 1ocr h ASP 49 N 1.06 -1.02 -0.41 1.72 3.58 -0.69 0.10 116.42 120.76 1ocr h ASP 49 Ca 0.29 0.11 0.07 0.00 0.42 0.00 0.00 57.03 57.92 1ocr h ASP 49 Cb -0.12 0.38 -0.06 0.00 1.72 0.00 0.00 39.33 41.25 1ocr h ASP 49 CO -0.06 -0.46 0.04 0.00 -2.88 0.00 0.00 179.24 175.88 1ocr h ALA 50 N -0.08 0.41 -0.94 -0.78 0.00 -1.33 -0.05 119.26 116.48 1ocr h ALA 50 Ca 0.01 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1ocr h ALA 50 Cb 0.63 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 1ocr h ALA 50 CO -0.17 -0.36 0.61 0.00 0.00 0.00 0.00 179.25 179.33 1ocr h ALA 51 N 1.34 1.30 -0.89 0.00 0.00 -0.85 -0.37 119.26 119.78 1ocr h ALA 51 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ocr h ALA 51 Cb 0.27 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1ocr h ALA 51 CO -0.30 0.64 0.56 -0.07 0.00 0.00 0.00 179.25 180.08 1ocr h LEU 52 N 1.29 1.06 -0.67 0.00 3.38 0.52 -1.44 115.31 119.44 1ocr h LEU 52 Ca 0.34 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 58.12 1ocr h LEU 52 Cb -0.12 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.35 1ocr h LEU 52 CO -0.07 0.79 -0.55 0.03 0.09 0.00 0.00 178.44 178.73 1ocr h ARG 53 N 1.22 0.31 -0.04 1.13 3.08 0.02 -2.13 114.38 117.97 1ocr h ARG 53 Ca 0.32 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 1ocr h ARG 53 Cb -0.09 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1ocr h ARG 53 CO -0.06 0.79 -0.20 0.00 -1.07 0.00 0.00 179.97 179.42 1ocr h ALA 54 N 1.17 1.60 -0.48 0.04 0.00 -0.47 -0.97 119.26 120.15 1ocr h ALA 54 Ca 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1ocr h ALA 54 Cb 1.05 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1ocr h ALA 54 CO 0.09 0.30 0.12 0.00 0.00 0.00 0.00 179.25 179.76 1ocr h ARG 56 N 0.64 0.49 -0.36 0.00 9.65 -0.87 0.10 114.38 124.04 1ocr h ARG 56 Ca 0.15 -0.04 0.02 0.00 -1.10 0.00 0.00 59.98 59.01 1ocr h ARG 56 Cb 0.31 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.77 1ocr h ARG 56 CO 0.00 0.35 0.24 0.00 2.80 0.00 0.00 179.97 183.37 1ocr h ARG 57 N 0.49 0.42 -0.15 0.20 3.08 -1.08 0.27 114.38 117.60 1ocr h ARG 57 Ca 0.13 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1ocr h ARG 57 Cb -0.02 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1ocr h ARG 57 CO -0.03 0.28 0.00 1.28 -1.07 0.00 0.00 179.97 180.43 1ocr n LEU 58 N -4.48 1.88 -3.72 3.04 4.77 -0.71 -4.95 117.00 112.82 1ocr n LEU 58 Ca 0.03 -0.76 -0.23 0.00 -0.03 0.00 0.00 56.01 55.03 1ocr n LEU 58 Cb 0.11 -0.10 0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1ocr n LEU 58 CO 0.35 0.38 -0.09 0.59 -1.33 0.00 0.00 177.39 177.28 1ocr n ASN 59 N 0.46 -1.59 -3.93 -1.43 3.02 0.08 -4.95 115.26 106.92 1ocr n ASN 59 Ca 0.17 -0.86 -0.30 0.00 -0.03 0.00 0.00 54.58 53.55 1ocr n ASN 59 Cb 0.38 -3.88 -0.14 0.00 -0.61 0.00 0.00 39.78 35.52 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 -4.25 4.38 -0.00 6.41 -1.08 -0.16 -4.97 116.67 117.01 1ocr s ASP 60 Ca 0.06 -2.52 -0.24 0.00 -0.52 0.00 0.00 52.55 49.33 1ocr s ASP 60 Cb -0.02 -1.50 -0.16 0.00 -1.46 0.00 0.00 42.92 39.79 1ocr s ASP 60 CO 0.83 -0.31 1.14 0.15 0.52 0.00 0.00 175.17 177.50 1ocr h PHE 61 N 7.09 -0.42 -0.79 -5.34 3.57 -1.93 -3.29 116.94 115.83 1ocr h PHE 61 Ca -0.06 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.61 1ocr h PHE 61 Cb 0.96 0.14 -0.14 0.00 2.79 0.00 0.00 35.95 39.70 1ocr h PHE 61 CO 0.48 -0.09 -0.01 0.00 -2.23 0.00 0.00 178.31 176.46 1ocr h ALA 62 N -0.39 0.81 -0.29 2.41 0.00 -1.98 0.19 119.26 120.00 1ocr h ALA 62 Ca -0.05 0.26 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1ocr h ALA 62 Cb 0.53 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1ocr h ALA 62 CO 0.08 -0.44 0.20 0.77 0.00 0.00 0.00 179.25 179.86 1ocr h SER 63 N 0.08 0.30 -0.50 0.00 0.02 -1.99 -0.13 113.55 111.32 1ocr h SER 63 Ca 0.43 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.27 1ocr h SER 63 Cb 0.77 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 1ocr h SER 63 CO -0.71 0.21 -0.10 0.00 -1.14 0.00 0.00 176.83 175.09 1ocr h ALA 64 N 1.82 0.69 -0.21 3.77 0.00 -0.70 0.20 119.26 124.83 1ocr h ALA 64 Ca 0.11 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1ocr h ALA 64 Cb 0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1ocr h ALA 64 CO -0.02 0.59 0.00 0.28 0.00 0.00 0.00 179.25 180.10 1ocr h VAL 65 N 0.82 1.25 -0.51 0.00 2.07 -0.94 -2.72 116.25 116.21 1ocr h VAL 65 Ca 0.13 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1ocr h VAL 65 Cb 0.65 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 1ocr h VAL 65 CO 0.04 0.27 0.26 -0.09 0.02 0.00 0.00 177.57 178.07 1ocr h ARG 66 N 0.14 0.71 -0.37 1.57 2.43 -0.96 -0.99 114.38 116.91 1ocr h ARG 66 Ca 0.06 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1ocr h ARG 66 Cb 0.39 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 1ocr h ARG 66 CO 0.01 0.54 0.11 0.82 -1.51 0.00 0.00 179.97 179.94 1ocr h ILE 67 N 0.71 1.16 -0.12 1.20 2.04 -0.81 -0.73 117.51 120.96 1ocr h ILE 67 Ca 0.18 -0.54 -0.17 0.00 1.00 0.00 0.00 64.86 65.33 1ocr h ILE 67 Cb 0.06 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1ocr h ILE 67 CO -0.03 0.20 -0.64 -0.07 0.00 0.00 0.00 178.15 177.62 1ocr h LEU 68 N 0.53 0.52 -0.61 1.44 3.38 -0.89 -2.72 115.31 116.95 1ocr h LEU 68 Ca 0.13 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1ocr h LEU 68 Cb 0.17 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1ocr h LEU 68 CO -0.01 1.02 0.34 -0.33 0.09 0.00 0.00 178.44 179.55 1ocr h GLU 69 N 0.33 0.85 -0.45 1.13 5.08 -0.59 -2.90 114.58 118.03 1ocr h GLU 69 Ca -0.01 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1ocr h GLU 69 Cb 1.19 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 1ocr h GLU 69 CO 0.11 0.64 0.25 0.28 -1.00 0.00 0.00 179.01 179.30 1ocr h VAL 70 N 0.83 1.01 -0.79 3.13 2.07 -1.06 -1.67 116.25 119.77 1ocr h VAL 70 Ca 0.21 -0.17 0.07 0.00 0.82 0.00 0.00 66.70 67.63 1ocr h VAL 70 Cb 0.04 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.21 1ocr h VAL 70 CO -0.03 0.09 0.47 0.58 0.02 0.00 0.00 177.57 178.69 1ocr h VAL 71 N 0.50 0.99 -0.52 2.57 2.07 -1.29 -0.95 116.25 119.62 1ocr h VAL 71 Ca 0.19 -0.29 -0.10 0.00 0.82 0.00 0.00 66.70 67.33 1ocr h VAL 71 Cb 0.06 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 1ocr h VAL 71 CO -0.11 0.15 -0.05 0.50 0.02 0.00 0.00 177.57 178.09 1ocr h LYS 72 N 0.84 0.95 -0.58 1.57 3.64 -1.32 -3.08 116.57 118.58 1ocr h LYS 72 Ca 0.35 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1ocr h LYS 72 Cb 0.22 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 1ocr h LYS 72 CO -0.19 0.99 0.31 0.22 -2.27 0.00 0.00 179.45 178.51 1ocr h ASP 73 N 0.81 0.73 0.83 4.20 3.58 -0.59 -2.56 116.42 123.42 1ocr h ASP 73 Ca 0.14 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1ocr h ASP 73 Cb 0.59 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.46 1ocr h ASP 73 CO 0.04 0.62 0.00 0.11 -2.88 0.00 0.00 179.24 177.12 1ocr h LYS 74 N 0.78 0.00 0.00 0.28 1.79 -1.17 -1.96 116.57 116.29 1ocr h LYS 74 Ca 0.20 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.64 1ocr h LYS 74 Cb 0.06 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1ocr h LYS 74 CO -0.03 0.00 -0.17 0.00 -1.08 0.00 0.00 179.45 178.17 1ocr h ALA 75 N 2.03 0.96 -0.74 3.86 0.00 -1.37 -3.44 119.26 120.56 1ocr h ALA 75 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ocr h ALA 75 Cb 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ocr h ALA 75 CO 0.00 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.87 1ocr n GLY 76 N 0.44 3.76 0.16 0.00 0.00 -0.74 -1.47 105.19 107.35 1ocr n GLY 76 Ca 0.01 0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.33 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 -5.40 1.61 0.13 -1.92 -3.41 132.00 123.02 1ocr h PRO 77 Ca 0.00 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.44 1ocr h PRO 77 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 1ocr h PRO 77 CO 0.00 0.00 2.18 0.72 -0.23 0.00 0.00 178.00 180.67 1ocr n HIS 78 N -2.56 4.54 0.09 1.56 8.25 -0.54 -4.82 115.22 121.73 1ocr n HIS 78 Ca 0.03 -2.94 0.05 0.00 -0.26 0.00 0.00 57.72 54.61 1ocr n HIS 78 Cb 0.37 -2.54 0.29 0.00 1.12 0.00 0.00 29.99 29.24 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 7.56 0.07 0.06 -0.41 0.00 -1.26 -2.16 118.16 122.02 1ocr n LYS 79 Ca 0.47 0.54 0.12 0.00 -0.00 0.00 0.00 58.31 59.44 1ocr n LYS 79 Cb 0.44 -1.80 0.20 0.00 -0.00 0.00 0.00 35.03 33.88 1ocr n LYS 79 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1ocr n GLU 80 N -1.86 0.26 -0.02 -1.58 4.71 -1.26 -4.27 120.64 116.63 1ocr n GLU 80 Ca -0.01 0.09 -0.13 0.00 -0.01 0.00 0.00 57.16 57.11 1ocr n GLU 80 Cb 0.09 -1.68 -0.09 0.00 -1.01 0.00 0.00 31.44 28.75 1ocr n GLU 80 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1ocr h ILE 81 N 0.00 1.31 0.68 -3.67 2.04 -1.83 -3.13 117.51 112.91 1ocr h ILE 81 Ca 0.00 -0.96 -0.03 0.00 1.00 0.00 0.00 64.86 64.88 1ocr h ILE 81 Cb 0.72 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 1ocr h ILE 81 CO 0.00 0.26 -0.50 0.22 0.00 0.00 0.00 178.15 178.13 1ocr h TYR 82 N -0.28 -1.34 -0.98 1.37 3.20 -1.77 -1.11 116.97 116.06 1ocr h TYR 82 Ca 0.01 -0.00 0.25 0.00 3.14 0.00 0.00 58.73 62.13 1ocr h TYR 82 Cb 0.42 0.50 -0.13 0.00 1.54 0.00 0.00 36.73 39.06 1ocr h TYR 82 CO 0.06 -0.71 0.54 -1.35 -1.64 0.00 0.00 178.16 175.06 1ocr h PRO 83 N -1.13 0.48 -0.52 1.82 0.11 -1.77 0.53 132.00 131.52 1ocr h PRO 83 Ca -0.09 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.93 1ocr h PRO 83 Cb 0.93 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.91 1ocr h PRO 83 CO 0.04 0.32 0.10 -0.92 -0.21 0.00 0.00 178.00 177.33 1ocr h TYR 84 N 0.50 0.89 -0.39 0.65 3.20 -1.43 -0.82 116.97 119.56 1ocr h TYR 84 Ca 0.64 -0.12 -0.06 0.00 3.14 0.00 0.00 58.73 62.33 1ocr h TYR 84 Cb 1.25 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.26 1ocr h TYR 84 CO -0.04 0.80 0.00 0.28 -1.64 0.00 0.00 178.16 177.56 1ocr h VAL 85 N 0.73 1.26 -0.84 1.81 2.07 0.12 -2.06 116.25 119.34 1ocr h VAL 85 Ca 0.16 -1.00 0.03 0.00 0.82 0.00 0.00 66.70 66.71 1ocr h VAL 85 Cb 0.37 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 1ocr h VAL 85 CO 0.01 0.34 0.55 0.40 0.02 0.00 0.00 177.57 178.89 1ocr h ILE 86 N 0.51 1.16 -0.30 4.57 1.08 -0.74 -1.31 117.51 122.49 1ocr h ILE 86 Ca 0.11 -0.37 0.01 0.00 -0.39 0.00 0.00 64.86 64.22 1ocr h ILE 86 Cb 0.47 -0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.20 1ocr h ILE 86 CO 0.02 0.20 0.19 -0.61 -0.69 0.00 0.00 178.15 177.25 1ocr h GLN 87 N 1.07 0.37 0.00 2.37 4.15 -0.71 -0.42 115.11 121.94 1ocr h GLN 87 Ca 0.33 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.72 1ocr h GLN 87 Cb -0.02 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.59 1ocr h GLN 87 CO -0.09 0.25 0.00 0.93 -1.93 0.00 0.00 178.83 177.99 1ocr h GLU 88 N 0.39 0.00 -0.00 1.69 4.39 -0.84 -3.04 114.58 117.17 1ocr h GLU 88 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1ocr h GLU 88 Cb -0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1ocr h GLU 88 CO -0.03 0.00 -0.59 1.28 -1.16 0.00 0.00 179.01 178.50 1ocr n LEU 89 N -2.75 0.88 -0.29 1.33 4.77 -0.54 -4.55 117.00 115.84 1ocr n LEU 89 Ca 0.03 -0.26 0.02 0.00 -0.03 0.00 0.00 56.01 55.77 1ocr n LEU 89 Cb 0.38 -0.13 0.09 0.00 -2.33 0.00 0.00 43.42 41.43 1ocr n LEU 89 CO 0.28 0.20 0.69 0.03 -1.33 0.00 0.00 177.39 177.26 1ocr h ARG 90 N 0.44 -0.01 -0.40 3.23 2.47 -0.98 0.11 114.38 119.24 1ocr h ARG 90 Ca 0.00 0.00 0.08 0.00 -1.26 0.00 0.00 59.98 58.80 1ocr h ARG 90 Cb 0.53 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 28.76 1ocr h ARG 90 CO 0.00 -0.01 -0.19 -1.35 0.56 0.00 0.00 179.97 178.99 1ocr h PRO 91 N -0.01 -0.11 -0.53 0.04 0.11 -1.83 0.57 132.00 130.25 1ocr h PRO 91 Ca 0.38 0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.39 1ocr h PRO 91 Cb 0.59 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.71 1ocr h PRO 91 CO -0.84 -0.07 -0.11 1.15 -0.21 0.00 0.00 178.00 177.92 1ocr h THR 92 N -0.11 1.27 -0.95 -1.15 2.02 -1.49 0.11 112.91 112.61 1ocr h THR 92 Ca 0.20 -1.26 0.02 0.00 0.77 0.00 0.00 66.41 66.13 1ocr h THR 92 Cb 0.42 1.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.77 1ocr h THR 92 CO -0.47 0.44 0.63 -0.07 0.37 0.00 0.00 175.52 176.42 1ocr h LEU 93 N 0.87 1.07 -0.13 2.58 3.38 -0.16 -1.54 115.31 121.37 1ocr h LEU 93 Ca 0.14 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1ocr h LEU 93 Cb 0.68 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1ocr h LEU 93 CO 0.05 0.75 -0.13 0.78 0.09 0.00 0.00 178.44 179.98 1ocr h ASN 94 N 1.25 0.35 -0.73 -0.43 2.35 -0.54 0.09 115.58 117.92 1ocr h ASN 94 Ca 0.36 -0.48 0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1ocr h ASN 94 Cb -0.09 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.14 1ocr h ASN 94 CO -0.10 0.75 0.46 -0.08 -1.65 0.00 0.00 177.43 176.81 1ocr h GLU 95 N -0.05 0.86 -0.02 0.81 4.81 -0.50 -2.79 114.58 117.70 1ocr h GLU 95 Ca 0.02 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1ocr h GLU 95 Cb 0.65 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1ocr h GLU 95 CO 0.03 0.57 -0.24 1.28 -0.73 0.00 0.00 179.01 179.92 1ocr n LEU 96 N -4.65 1.89 -2.50 1.64 4.77 -0.60 -4.95 117.00 112.59 1ocr n LEU 96 Ca 0.08 -0.64 -0.17 0.00 -0.03 0.00 0.00 56.01 55.26 1ocr n LEU 96 Cb 0.10 -0.03 0.04 0.00 -2.33 0.00 0.00 43.42 41.20 1ocr n LEU 96 CO 0.33 0.34 0.09 0.61 -1.33 0.00 0.00 177.39 177.43 1ocr n GLY 97 N 1.34 -0.16 3.66 -0.72 0.00 -0.16 -4.97 105.19 104.19 1ocr n GLY 97 Ca 0.13 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.12 4.92 0.18 -0.61 1.01 -0.18 -5.03 121.20 118.38 1ocr s ILE 98 Ca 0.33 1.47 -0.12 0.00 0.00 0.00 0.00 60.65 62.32 1ocr s ILE 98 Cb -0.14 -4.07 -0.07 0.00 0.01 0.00 0.00 42.46 38.19 1ocr s ILE 98 CO 0.41 0.04 0.55 -0.44 0.00 0.00 0.00 174.94 175.50 1ocr s SER 99 N 1.20 6.74 0.56 3.58 0.01 -1.26 -4.70 113.70 119.83 1ocr s SER 99 Ca 0.34 1.01 -0.15 0.00 1.31 0.00 0.00 55.95 58.46 1ocr s SER 99 Cb -0.16 -2.26 -0.06 0.00 0.21 0.00 0.00 66.02 63.75 1ocr s SER 99 CO 0.11 0.02 1.01 0.42 0.41 0.00 0.00 173.24 175.22 1ocr s THR 100 N -1.62 4.32 0.46 1.44 -4.23 -1.26 -4.77 115.64 109.97 1ocr s THR 100 Ca 0.42 1.05 0.19 0.00 -1.18 0.00 0.00 61.69 62.17 1ocr s THR 100 Cb -0.13 -3.62 0.38 0.00 1.34 0.00 0.00 72.50 70.46 1ocr s THR 100 CO 0.20 -0.70 1.93 -0.65 -0.54 0.00 0.00 174.62 174.87 1ocr h PRO 101 N 0.56 0.27 -0.34 3.99 0.11 -1.95 0.12 132.00 134.76 1ocr h PRO 101 Ca -0.46 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.49 1ocr h PRO 101 Cb 1.20 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1ocr h PRO 101 CO 0.60 0.18 -0.35 0.93 -0.21 0.00 0.00 178.00 179.15 1ocr h GLU 102 N 0.28 0.78 -0.43 1.05 3.07 -1.94 0.16 114.58 117.55 1ocr h GLU 102 Ca 0.35 -0.38 -0.12 0.00 -0.50 0.00 0.00 59.36 58.71 1ocr h GLU 102 Cb 0.98 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.87 1ocr h GLU 102 CO -0.09 1.00 -0.21 0.93 -1.40 0.00 0.00 179.01 179.25 1ocr h GLU 103 N 0.65 0.86 0.00 2.33 5.08 -1.17 -2.50 114.58 119.83 1ocr h GLU 103 Ca 0.06 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1ocr h GLU 103 Cb 0.89 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1ocr h GLU 103 CO 0.08 0.99 0.00 1.28 -1.00 0.00 0.00 179.01 180.36 1ocr n LEU 104 N -4.11 0.00 -0.47 1.33 4.77 -0.54 -4.90 117.00 113.07 1ocr n LEU 104 Ca 0.00 0.25 -0.06 0.00 -0.03 0.00 0.00 56.01 56.18 1ocr n LEU 104 Cb 0.44 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 1ocr n LEU 104 CO 0.45 -0.01 -0.06 0.61 -1.33 0.00 0.00 177.39 177.06 1ocr n GLY 105 N 1.19 0.75 0.04 -0.72 0.00 -0.75 -4.93 105.19 100.77 1ocr n GLY 105 Ca 0.15 -0.78 0.15 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.68 0.14 -0.75 0.99 4.77 0.47 -3.17 117.00 118.77 1ocr n LEU 106 Ca -0.06 0.05 0.10 0.00 -0.03 0.00 0.00 56.01 56.07 1ocr n LEU 106 Cb 0.23 -0.10 0.29 0.00 -2.33 0.00 0.00 43.42 41.52 1ocr n LEU 106 CO 0.09 0.02 0.73 -0.90 -1.33 0.00 0.00 177.39 176.00 1ocr n ASP 107 N -1.00 2.21 -3.81 -1.43 5.75 -1.25 -4.92 116.55 112.10 1ocr n ASP 107 Ca 0.20 -1.85 -0.30 0.00 -0.01 0.00 0.00 54.79 52.83 1ocr n ASP 107 Cb 0.18 -0.18 0.23 0.00 -1.03 0.00 0.00 41.12 40.32 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 -0.85 0.00 0.11 -2.85 -1.19 -5.11 119.74 108.21 1ocr s LYS 108 Ca 0.33 -0.23 0.00 0.00 -1.00 0.00 0.00 55.97 55.07 1ocr s LYS 108 Cb 0.18 -1.65 0.00 0.00 -2.06 0.00 0.00 37.83 34.29 1ocr s LYS 108 CO 0.26 -3.44 0.04 1.33 0.10 0.00 0.00 175.35 173.63