#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocr s ILE 8 N 0.00 2.70 0.00 -0.18 1.01 -1.26 -4.85 121.20 118.61 1ocr s ILE 8 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.87 1ocr s ILE 8 Cb 0.00 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.36 1ocr s ILE 8 CO 0.00 0.53 0.27 2.29 0.00 0.00 0.00 174.94 178.04 1ocr n LYS 9 N 3.63 0.00 -1.04 2.79 0.00 -1.26 -4.76 118.16 117.53 1ocr n LYS 9 Ca -0.19 -0.27 -0.17 0.00 -0.00 0.00 0.00 58.31 57.68 1ocr n LYS 9 Cb 0.53 -0.43 0.19 0.00 -0.00 0.00 0.00 35.03 35.31 1ocr n LYS 9 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1ocr n ASN 10 N 0.00 3.87 -4.71 -5.58 4.05 -1.26 -4.96 115.26 106.67 1ocr n ASN 10 Ca 0.00 -3.33 -0.42 0.00 0.45 0.00 0.00 54.58 51.28 1ocr n ASN 10 Cb 0.41 -0.78 -0.03 0.00 1.23 0.00 0.00 39.78 40.61 1ocr n ASN 10 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 1ocr s TYR 11 N -2.84 3.06 -0.20 1.20 5.04 -1.26 -4.94 117.35 117.41 1ocr s TYR 11 Ca 0.50 0.77 -0.16 0.00 -2.44 0.00 0.00 57.07 55.74 1ocr s TYR 11 Cb 0.41 -3.79 -0.08 0.00 0.35 0.00 0.00 41.96 38.86 1ocr s TYR 11 CO 0.10 -2.87 -0.30 1.04 -1.34 0.00 0.00 175.55 172.19 1ocr n GLN 12 N 4.28 0.53 -3.65 4.97 6.02 -1.26 -5.08 117.38 123.18 1ocr n GLN 12 Ca 0.13 0.28 -0.06 0.00 -0.01 0.00 0.00 57.00 57.34 1ocr n GLN 12 Cb 0.41 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.16 1ocr n GLN 12 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1ocr s THR 13 N -2.70 0.00 -0.02 5.09 -1.32 -1.26 -5.12 115.64 110.31 1ocr s THR 13 Ca -0.29 -0.43 -0.35 0.00 -1.21 0.00 0.00 61.69 59.41 1ocr s THR 13 Cb 0.06 -1.58 -0.13 0.00 -1.51 0.00 0.00 72.50 69.34 1ocr s THR 13 CO 0.42 0.00 1.72 0.00 -2.21 0.00 0.00 174.62 174.55 1ocr n ALA 14 N -0.39 0.69 -1.95 11.08 0.00 -1.26 -4.95 120.51 123.73 1ocr n ALA 14 Ca -0.08 0.37 -0.28 0.00 0.00 0.00 0.00 53.44 53.45 1ocr n ALA 14 Cb 0.61 -2.37 0.16 0.00 0.00 0.00 0.00 19.45 17.85 1ocr n ALA 14 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ocr s PRO 15 N 2.67 0.94 0.28 0.00 0.04 -1.26 -4.99 135.00 132.68 1ocr s PRO 15 Ca 0.88 -0.56 -0.30 0.00 0.04 0.00 0.00 61.00 61.06 1ocr s PRO 15 Cb -0.77 -1.97 -0.11 0.00 0.04 0.00 0.00 34.50 31.70 1ocr s PRO 15 CO 0.49 -2.15 1.59 0.12 0.04 0.00 0.00 177.00 177.09 1ocr s PHE 16 N -3.70 2.80 -0.22 0.56 5.36 -1.26 -4.98 117.98 116.53 1ocr s PHE 16 Ca 0.72 0.75 0.01 0.00 -0.96 0.00 0.00 56.93 57.45 1ocr s PHE 16 Cb -0.04 -4.05 0.05 0.00 -0.34 0.00 0.00 43.02 38.63 1ocr s PHE 16 CO 0.51 -3.59 -0.09 0.34 -1.46 0.00 0.00 175.22 170.93 1ocr s ASP 17 N 0.57 3.75 0.54 6.13 -1.08 -1.26 -5.01 116.67 120.31 1ocr s ASP 17 Ca 0.64 -1.08 0.32 0.00 -0.52 0.00 0.00 52.55 51.91 1ocr s ASP 17 Cb -0.47 -1.27 1.75 0.00 -1.46 0.00 0.00 42.92 41.47 1ocr s ASP 17 CO 0.45 -0.18 1.98 0.77 0.52 0.00 0.00 175.17 178.71 1ocr h SER 18 N 7.93 0.00 0.66 -0.34 4.64 -1.99 0.41 113.55 124.85 1ocr h SER 18 Ca -0.23 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.99 1ocr h SER 18 Cb 1.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 1ocr h SER 18 CO 0.45 0.00 -0.49 0.03 -0.87 0.00 0.00 176.83 175.95 1ocr h ARG 19 N 0.00 0.00 -2.44 4.77 3.08 -2.02 -3.32 114.38 114.45 1ocr h ARG 19 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 1ocr h ARG 19 Cb 0.19 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.83 1ocr h ARG 19 CO 0.00 0.49 -0.75 1.19 -1.07 0.00 0.00 179.97 179.84 1ocr n PHE 20 N -3.75 2.04 1.47 3.04 3.72 0.13 -4.95 117.46 119.16 1ocr n PHE 20 Ca -0.01 -3.95 0.14 0.00 -0.05 0.00 0.00 57.45 53.58 1ocr n PHE 20 Cb 0.54 -0.41 0.62 0.00 -0.94 0.00 0.00 39.48 39.30 1ocr n PHE 20 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1ocr n PRO 21 N 1.59 0.85 -3.74 -1.08 -0.04 -1.24 -4.67 135.00 126.66 1ocr n PRO 21 Ca 0.25 -0.31 -0.24 0.00 -0.04 0.00 0.00 63.50 63.16 1ocr n PRO 21 Cb 0.43 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.38 1ocr n PRO 21 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1ocr s ASN 22 N -2.37 4.77 0.51 3.54 0.01 -1.26 -5.01 114.94 115.13 1ocr s ASN 22 Ca 0.32 -1.06 0.26 0.00 -0.71 0.00 0.00 52.86 51.66 1ocr s ASN 22 Cb 0.20 0.07 1.36 0.00 0.41 0.00 0.00 41.25 43.29 1ocr s ASN 22 CO 0.45 -0.96 1.93 1.56 -1.51 0.00 0.00 177.10 178.56 1ocr h GLN 23 N 0.83 0.09 -6.25 -0.60 4.20 -2.06 -3.38 115.11 107.94 1ocr h GLN 23 Ca -0.38 -0.01 -0.59 0.00 0.06 0.00 0.00 58.65 57.74 1ocr h GLN 23 Cb 1.29 -0.02 -0.09 0.00 0.30 0.00 0.00 27.48 28.96 1ocr h GLN 23 CO 0.57 0.06 0.68 1.21 -0.67 0.00 0.00 178.83 180.68 1ocr s ASN 24 N -5.87 6.62 0.00 1.46 3.84 -1.26 -4.88 114.94 114.85 1ocr s ASN 24 Ca -0.06 0.43 0.16 0.00 0.21 0.00 0.00 52.86 53.60 1ocr s ASN 24 Cb 0.21 -2.48 0.45 0.00 -0.55 0.00 0.00 41.25 38.87 1ocr s ASN 24 CO 0.76 -1.01 1.37 0.00 -2.79 0.00 0.00 177.10 175.43 1ocr n GLN 25 N 7.14 2.80 -0.31 0.43 1.13 -1.26 -4.61 117.38 122.70 1ocr n GLN 25 Ca 0.08 -2.30 0.11 0.00 -1.94 0.00 0.00 57.00 52.95 1ocr n GLN 25 Cb 0.48 -1.39 0.28 0.00 0.11 0.00 0.00 30.24 29.72 1ocr n GLN 25 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1ocr h THR 26 N 2.98 0.63 -0.33 5.09 2.02 -1.96 -0.13 112.91 121.20 1ocr h THR 26 Ca 0.00 -0.20 -0.14 0.00 0.77 0.00 0.00 66.41 66.85 1ocr h THR 26 Cb 0.84 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1ocr h THR 26 CO 0.00 0.10 -0.35 0.03 0.37 0.00 0.00 175.52 175.68 1ocr h ARG 27 N 0.57 0.75 -0.33 6.66 2.47 -1.99 -2.67 114.38 119.84 1ocr h ARG 27 Ca 0.53 -0.36 0.06 0.00 -1.26 0.00 0.00 59.98 58.95 1ocr h ARG 27 Cb 0.88 -0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.14 1ocr h ARG 27 CO -0.43 0.98 -0.03 -0.97 0.56 0.00 0.00 179.97 180.08 1ocr h ASN 28 N 0.62 -0.19 0.97 7.04 -0.73 -1.35 0.60 115.58 122.54 1ocr h ASN 28 Ca 0.06 0.08 -0.05 0.00 1.87 0.00 0.00 56.30 58.27 1ocr h ASN 28 Cb 0.88 0.16 0.01 0.00 0.27 0.00 0.00 38.32 39.64 1ocr h ASN 28 CO 0.08 -0.06 -0.47 0.00 -0.37 0.00 0.00 177.43 176.61 1ocr h TRP 30 N -1.31 -1.54 -0.08 0.00 2.91 -1.04 -0.39 115.95 114.50 1ocr h TRP 30 Ca -0.13 0.08 0.04 0.00 1.13 0.00 0.00 58.89 60.00 1ocr h TRP 30 Cb 1.00 0.73 -0.05 0.00 -0.51 0.00 0.00 29.16 30.32 1ocr h TRP 30 CO 0.01 -0.48 -0.23 0.37 -1.03 0.00 0.00 178.44 177.08 1ocr h GLN 31 N -0.38 -0.31 -0.19 2.65 5.75 0.15 -1.07 115.11 121.70 1ocr h GLN 31 Ca 0.10 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 1ocr h GLN 31 Cb 0.60 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.21 1ocr h GLN 31 CO -0.59 -0.21 0.13 -0.91 -2.65 0.00 0.00 178.83 174.60 1ocr h ASN 32 N -0.32 0.21 -0.45 -0.69 2.35 -1.00 0.21 115.58 115.89 1ocr h ASN 32 Ca 0.08 -0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.73 1ocr h ASN 32 Cb 0.45 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 1ocr h ASN 32 CO -0.26 0.15 -0.12 0.22 -1.65 0.00 0.00 177.43 175.77 1ocr h TYR 33 N 0.25 0.98 0.59 1.19 3.20 -0.19 -2.19 116.97 120.81 1ocr h TYR 33 Ca 0.07 -0.21 -0.03 0.00 3.14 0.00 0.00 58.73 61.70 1ocr h TYR 33 Cb -0.02 -0.24 0.01 0.00 1.54 0.00 0.00 36.73 38.02 1ocr h TYR 33 CO -0.00 0.97 -0.29 -0.07 -1.64 0.00 0.00 178.16 177.14 1ocr h LEU 34 N 0.71 -0.68 -0.86 2.82 3.38 -0.00 -3.10 115.31 117.57 1ocr h LEU 34 Ca 0.11 -0.01 0.22 0.00 0.09 0.00 0.00 57.88 58.29 1ocr h LEU 34 Cb 0.66 0.17 -0.15 0.00 0.09 0.00 0.00 40.66 41.43 1ocr h LEU 34 CO 0.05 -0.29 0.04 0.44 0.09 0.00 0.00 178.44 178.76 1ocr h ASP 35 N -1.15 -0.36 0.56 -0.43 3.32 -0.66 -1.02 116.42 116.67 1ocr h ASP 35 Ca -0.08 0.23 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1ocr h ASP 35 Cb 0.65 0.39 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 1ocr h ASP 35 CO 0.13 -0.24 -0.39 0.15 -1.72 0.00 0.00 179.24 177.17 1ocr h PHE 36 N 0.08 -1.04 0.00 4.55 3.57 -1.45 0.06 116.94 122.71 1ocr h PHE 36 Ca 0.50 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.99 1ocr h PHE 36 Cb 0.95 0.38 -0.00 0.00 2.79 0.00 0.00 35.95 40.08 1ocr h PHE 36 CO -0.44 -0.58 -0.00 0.45 -2.23 0.00 0.00 178.31 175.51 1ocr h HIS 37 N -0.92 0.00 0.17 0.41 3.86 -1.29 0.28 115.15 117.66 1ocr h HIS 37 Ca -0.06 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.84 1ocr h HIS 37 Cb 0.76 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.24 1ocr h HIS 37 CO -0.13 0.00 -1.43 0.00 0.86 0.00 0.00 177.93 177.23 1ocr h ARG 38 N 0.00 0.35 -0.10 2.45 3.08 -0.54 -2.45 114.38 117.17 1ocr h ARG 38 Ca -0.00 -0.60 -0.07 0.00 0.07 0.00 0.00 59.98 59.38 1ocr h ARG 38 Cb 0.01 0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1ocr h ARG 38 CO 0.00 1.26 -0.19 0.00 -1.07 0.00 0.00 179.97 179.97 1ocr h GLU 40 N -0.13 0.54 -0.08 0.00 4.81 -0.58 -0.15 114.58 118.99 1ocr h GLU 40 Ca 0.00 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1ocr h GLU 40 Cb 0.78 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 1ocr h GLU 40 CO 0.04 0.35 0.03 -0.22 -0.73 0.00 0.00 179.01 178.49 1ocr h LYS 41 N 0.55 0.12 0.27 1.92 3.64 -1.35 -1.11 116.57 120.61 1ocr h LYS 41 Ca 0.31 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1ocr h LYS 41 Cb 0.30 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1ocr h LYS 41 CO -0.24 0.26 -0.28 0.00 -2.27 0.00 0.00 179.45 176.91 1ocr h ALA 42 N 0.85 -0.59 0.00 5.00 0.00 -0.69 0.46 119.26 124.30 1ocr h ALA 42 Ca 0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ocr h ALA 42 Cb 0.19 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1ocr h ALA 42 CO -0.00 -0.86 -0.02 0.52 0.00 0.00 0.00 179.25 178.89 1ocr h MET 43 N -0.59 0.00 0.00 0.00 2.86 -1.02 0.58 114.93 116.75 1ocr h MET 43 Ca -0.01 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.36 1ocr h MET 43 Cb 0.55 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.16 1ocr h MET 43 CO -0.07 0.02 -1.59 1.15 1.06 0.00 0.00 176.91 177.48 1ocr h THR 44 N 0.00 0.97 0.00 2.22 2.02 -0.67 0.50 112.91 117.94 1ocr h THR 44 Ca -0.00 -2.79 0.00 0.00 0.77 0.00 0.00 66.41 64.38 1ocr h THR 44 Cb 0.05 2.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 1ocr h THR 44 CO 0.00 0.55 -0.27 0.00 0.37 0.00 0.00 175.52 176.18 1ocr n ALA 45 N -2.52 2.66 -1.19 6.16 0.00 0.16 -3.47 120.51 122.31 1ocr n ALA 45 Ca -0.14 -0.15 0.09 0.00 0.00 0.00 0.00 53.44 53.24 1ocr n ALA 45 Cb 1.03 -1.33 0.15 0.00 0.00 0.00 0.00 19.45 19.31 1ocr n ALA 45 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ocr n LYS 46 N -1.97 1.34 -3.25 0.00 5.02 0.05 -5.02 118.16 114.34 1ocr n LYS 46 Ca 0.05 -2.73 -0.09 0.00 -2.02 0.00 0.00 58.31 53.52 1ocr n LYS 46 Cb 0.40 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 1ocr n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ocr n GLY 47 N -1.36 -1.19 0.00 0.72 0.00 -1.23 -5.02 105.19 97.11 1ocr n GLY 47 Ca 0.17 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.83 1ocr n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ocr n GLY 48 N -1.47 3.97 3.69 -0.02 0.00 0.17 -5.03 105.19 106.50 1ocr n GLY 48 Ca -0.07 -1.46 -0.38 0.00 0.00 0.00 0.00 46.02 44.12 1ocr n GLY 48 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ocr s ASP 49 N -0.33 6.44 0.00 1.61 1.47 -1.26 -4.62 116.67 119.98 1ocr s ASP 49 Ca 0.00 0.51 0.28 0.00 1.18 0.00 0.00 52.55 54.52 1ocr s ASP 49 Cb 0.00 -2.22 1.07 0.00 -0.34 0.00 0.00 42.92 41.44 1ocr s ASP 49 CO 0.00 -0.01 1.80 1.33 0.68 0.00 0.00 175.17 178.97 1ocr n VAL 50 N 4.08 0.00 0.00 2.11 0.24 -1.26 -3.79 118.33 119.71 1ocr n VAL 50 Ca -0.10 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 1ocr n VAL 50 Cb 0.51 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 1ocr n VAL 50 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1ocr n SER 51 N -1.43 0.00 0.09 -1.34 3.41 -1.26 0.31 113.62 113.40 1ocr n SER 51 Ca 0.08 0.39 -0.23 0.00 -0.26 0.00 0.00 58.87 58.85 1ocr n SER 51 Cb 0.33 -0.39 -0.15 0.00 -0.26 0.00 0.00 64.21 63.73 1ocr n SER 51 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 1ocr h VAL 52 N 0.00 1.05 0.00 -3.33 -1.51 -2.00 -3.31 116.25 107.14 1ocr h VAL 52 Ca 0.00 -2.55 0.00 0.00 -1.23 0.00 0.00 66.70 62.92 1ocr h VAL 52 Cb 0.01 2.85 0.00 0.00 -2.13 0.00 0.00 31.29 32.02 1ocr h VAL 52 CO 0.00 0.83 0.00 0.00 -1.23 0.00 0.00 177.57 177.17 1ocr h GLU 54 N 0.00 -0.28 -0.91 0.00 4.57 -1.63 -2.99 114.58 113.35 1ocr h GLU 54 Ca 0.00 0.02 0.12 0.00 -1.18 0.00 0.00 59.36 58.32 1ocr h GLU 54 Cb 0.22 0.06 -0.14 0.00 -0.16 0.00 0.00 28.75 28.74 1ocr h GLU 54 CO 0.00 -0.19 -0.41 1.87 -1.18 0.00 0.00 179.01 179.11 1ocr n TRP 55 N -5.39 -0.09 -0.24 0.92 -0.00 -1.25 -0.56 117.44 110.83 1ocr n TRP 55 Ca -0.01 1.13 0.06 0.00 -0.00 0.00 0.00 57.50 58.68 1ocr n TRP 55 Cb 0.31 -0.77 0.31 0.00 -0.00 0.00 0.00 31.31 31.16 1ocr n TRP 55 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 177.69 179.57 1ocr h TYR 56 N 0.00 0.88 -0.33 5.87 0.05 -1.82 -1.39 116.97 120.24 1ocr h TYR 56 Ca 0.27 0.02 -0.13 0.00 0.05 0.00 0.00 58.73 58.94 1ocr h TYR 56 Cb 0.50 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 1ocr h TYR 56 CO -0.84 0.45 -0.32 -0.09 -1.05 0.00 0.00 178.16 176.31 1ocr h ARG 57 N 0.85 0.72 -0.02 4.88 2.43 -0.85 0.70 114.38 123.09 1ocr h ARG 57 Ca 0.36 -0.33 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1ocr h ARG 57 Cb 0.30 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1ocr h ARG 57 CO -0.14 0.94 0.00 0.00 -1.51 0.00 0.00 179.97 179.27 1ocr h ARG 58 N 0.61 0.03 0.74 0.20 2.47 -0.63 -0.36 114.38 117.44 1ocr h ARG 58 Ca 0.07 -0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.74 1ocr h ARG 58 Cb 0.84 -0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.16 1ocr h ARG 58 CO 0.07 0.26 -0.36 0.28 0.56 0.00 0.00 179.97 180.78 1ocr h VAL 59 N -0.21 0.26 0.00 2.04 2.07 -1.22 0.74 116.25 119.95 1ocr h VAL 59 Ca 0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1ocr h VAL 59 Cb 0.25 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1ocr h VAL 59 CO 0.00 0.00 -0.06 0.10 0.02 0.00 0.00 177.57 177.63 1ocr h TYR 60 N -1.00 0.00 -0.35 1.57 -0.00 -0.91 -1.44 116.97 114.84 1ocr h TYR 60 Ca -0.10 0.00 -0.15 0.00 0.00 0.00 0.00 58.73 58.47 1ocr h TYR 60 Cb 0.77 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.49 1ocr h TYR 60 CO -0.02 0.06 -0.39 0.87 -0.00 0.00 0.00 178.16 178.67 1ocr h LYS 61 N 0.00 0.85 -0.14 0.10 1.79 -0.35 0.00 116.57 118.83 1ocr h LYS 61 Ca -0.00 -0.45 -0.02 0.00 -2.18 0.00 0.00 60.65 58.00 1ocr h LYS 61 Cb 0.11 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 1ocr h LYS 61 CO 0.01 1.09 0.00 0.77 -1.08 0.00 0.00 179.45 180.24 1ocr h SER 62 N 0.70 0.24 0.28 0.86 0.02 0.11 -3.38 113.55 112.38 1ocr h SER 62 Ca 0.06 -0.30 -0.34 0.00 -0.84 0.00 0.00 61.79 60.37 1ocr h SER 62 Cb 0.97 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 63.45 1ocr h SER 62 CO 0.09 0.48 -1.65 -0.07 -1.14 0.00 0.00 176.83 174.54 1ocr h LEU 63 N -0.01 0.58 -9.63 5.07 3.38 -1.29 -3.47 115.31 109.94 1ocr h LEU 63 Ca 0.04 -0.81 -0.52 0.00 0.09 0.00 0.00 57.88 56.68 1ocr h LEU 63 Cb 0.35 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.92 1ocr h LEU 63 CO 0.01 1.67 0.53 0.00 0.09 0.00 0.00 178.44 180.74 1ocr s PRO 65 N -0.06 2.91 0.15 0.00 0.02 -1.26 -4.86 135.00 131.90 1ocr s PRO 65 Ca 0.52 2.08 -0.21 0.00 0.02 0.00 0.00 61.00 63.42 1ocr s PRO 65 Cb -0.31 -2.05 0.03 0.00 0.02 0.00 0.00 34.50 32.20 1ocr s PRO 65 CO 0.35 -1.33 1.65 0.82 -0.33 0.00 0.00 177.00 178.17 1ocr h ILE 66 N 1.02 0.53 -0.58 2.83 1.08 -1.94 -2.05 117.51 118.39 1ocr h ILE 66 Ca -0.51 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.07 1ocr h ILE 66 Cb 1.31 0.53 -0.03 0.00 -3.07 0.00 0.00 36.82 35.55 1ocr h ILE 66 CO 0.55 0.00 0.40 0.77 -0.69 0.00 0.00 178.15 179.18 1ocr h SER 67 N -0.15 0.29 -0.00 1.72 4.64 -1.99 0.83 113.55 118.89 1ocr h SER 67 Ca 0.14 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1ocr h SER 67 Cb 0.36 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1ocr h SER 67 CO -0.34 0.17 -0.01 -0.50 -0.87 0.00 0.00 176.83 175.28 1ocr h TRP 68 N 0.32 0.01 -0.44 4.77 4.06 -1.74 -2.19 115.95 120.74 1ocr h TRP 68 Ca 0.27 -0.00 0.05 0.00 2.06 0.00 0.00 58.89 61.27 1ocr h TRP 68 Cb 0.65 -0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.77 1ocr h TRP 68 CO -0.00 0.58 0.17 0.28 -3.56 0.00 0.00 178.44 175.91 1ocr h VAL 69 N -0.56 0.89 0.16 1.49 2.07 -0.97 -0.14 116.25 119.18 1ocr h VAL 69 Ca 0.00 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.41 1ocr h VAL 69 Cb 0.58 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1ocr h VAL 69 CO 0.00 0.06 -0.21 0.28 0.02 0.00 0.00 177.57 177.72 1ocr h SER 70 N 0.35 -0.58 -0.65 0.57 0.02 -0.86 -1.23 113.55 111.17 1ocr h SER 70 Ca 0.20 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1ocr h SER 70 Cb 0.17 0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 1ocr h SER 70 CO -0.19 -0.31 0.39 0.71 -1.14 0.00 0.00 176.83 176.30 1ocr h THR 71 N -0.43 1.19 -0.68 -2.27 1.35 -1.09 -0.65 112.91 110.34 1ocr h THR 71 Ca 0.01 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1ocr h THR 71 Cb 0.42 0.29 -0.03 0.00 -1.73 0.00 0.00 68.15 67.11 1ocr h THR 71 CO -0.09 0.20 0.43 -0.50 -0.25 0.00 0.00 175.52 175.31 1ocr h TRP 72 N 0.89 0.87 0.65 4.73 6.55 -0.81 0.25 115.95 129.08 1ocr h TRP 72 Ca 0.23 0.01 -0.03 0.00 0.95 0.00 0.00 58.89 60.05 1ocr h TRP 72 Cb -0.02 -0.29 0.00 0.00 -0.86 0.00 0.00 29.16 27.99 1ocr h TRP 72 CO -0.02 0.57 -0.34 -0.44 -1.05 0.00 0.00 178.44 177.17 1ocr h ASP 73 N 0.92 -0.82 -0.87 -3.49 3.32 -0.92 0.01 116.42 114.57 1ocr h ASP 73 Ca 0.25 0.04 0.21 0.00 0.02 0.00 0.00 57.03 57.55 1ocr h ASP 73 Cb -0.07 0.22 -0.13 0.00 0.22 0.00 0.00 39.33 39.58 1ocr h ASP 73 CO -0.05 -0.56 0.34 0.44 -1.72 0.00 0.00 179.24 177.69 1ocr h ASP 74 N -0.91 0.23 -0.27 6.45 5.19 -0.81 0.99 116.42 127.28 1ocr h ASP 74 Ca -0.09 0.16 -0.01 0.00 -0.62 0.00 0.00 57.03 56.48 1ocr h ASP 74 Cb 0.71 0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.38 1ocr h ASP 74 CO 0.13 -0.03 0.13 0.03 -3.12 0.00 0.00 179.24 176.38 1ocr h ARG 75 N 0.35 0.39 -0.72 3.56 2.47 -0.50 -1.54 114.38 118.39 1ocr h ARG 75 Ca 0.54 -0.05 0.01 0.00 -1.26 0.00 0.00 59.98 59.21 1ocr h ARG 75 Cb 1.02 -0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 29.23 1ocr h ARG 75 CO -0.55 0.37 0.48 0.00 0.56 0.00 0.00 179.97 180.83 1ocr h ARG 76 N 0.31 0.95 0.21 0.04 3.08 0.11 0.26 114.38 119.34 1ocr h ARG 76 Ca 0.09 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1ocr h ARG 76 Cb 0.11 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1ocr h ARG 76 CO -0.01 0.63 -0.10 0.00 -1.07 0.00 0.00 179.97 179.42 1ocr h ALA 77 N 1.55 -0.29 0.00 0.04 0.00 -0.63 -2.30 119.26 117.63 1ocr h ALA 77 Ca 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ocr h ALA 77 Cb -0.11 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ocr h ALA 77 CO -0.06 -0.62 0.00 -0.85 0.00 0.00 0.00 179.25 177.72 1ocr n GLU 78 N -5.18 0.74 -1.85 0.00 0.28 -0.62 -4.90 120.64 109.10 1ocr n GLU 78 Ca -0.09 0.01 -0.07 0.00 -0.16 0.00 0.00 57.16 56.84 1ocr n GLU 78 Cb 0.16 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.52 1ocr n GLU 78 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ocr n GLY 79 N 0.89 0.34 0.58 -1.84 0.00 0.69 -4.92 105.19 100.93 1ocr n GLY 79 Ca 0.19 -0.62 0.09 0.00 0.00 0.00 0.00 46.02 45.67 1ocr n GLY 79 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ocr n THR 80 N -3.62 2.03 -2.35 2.61 -2.24 0.02 -4.98 114.28 105.74 1ocr n THR 80 Ca -0.08 -1.91 -0.43 0.00 -2.27 0.00 0.00 64.05 59.35 1ocr n THR 80 Cb 0.47 -0.17 -0.02 0.00 -2.10 0.00 0.00 70.33 68.50 1ocr n THR 80 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1ocr s PHE 81 N -2.65 2.58 0.43 4.78 5.36 -1.17 -4.89 117.98 122.42 1ocr s PHE 81 Ca 0.36 0.81 0.25 0.00 -0.96 0.00 0.00 56.93 57.39 1ocr s PHE 81 Cb 0.29 -3.85 1.39 0.00 -0.34 0.00 0.00 43.02 40.51 1ocr s PHE 81 CO 0.07 -2.02 2.07 -1.00 -1.46 0.00 0.00 175.22 172.88 1ocr h PRO 82 N 9.39 0.00 -7.08 10.12 0.13 -1.94 -3.44 132.00 139.19 1ocr h PRO 82 Ca -0.28 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.39 1ocr h PRO 82 Cb 1.11 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.26 1ocr h PRO 82 CO 1.01 0.12 0.37 0.20 -0.23 0.00 0.00 178.00 179.48 1ocr s GLY 83 N -4.19 2.46 -0.58 1.56 0.00 -1.26 -4.97 107.32 100.34 1ocr s GLY 83 Ca -0.03 0.55 -0.22 0.00 0.00 0.00 0.00 44.72 45.02 1ocr s GLY 83 CO 0.60 0.86 0.83 0.54 0.00 0.00 0.00 173.10 175.93 1ocr s LYS 84 N -3.26 3.17 0.00 2.90 3.01 -1.26 -5.14 119.74 119.15 1ocr s LYS 84 Ca 0.66 -0.74 0.25 0.00 -1.01 0.00 0.00 55.97 55.12 1ocr s LYS 84 Cb -0.15 -4.15 0.31 0.00 -1.01 0.00 0.00 37.83 32.84 1ocr s LYS 84 CO 0.19 -1.52 1.33 -0.89 0.51 0.00 0.00 175.35 174.96