#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocr s THR 2 N 0.00 2.53 0.14 6.66 2.01 -1.26 -5.08 115.64 120.64 1ocr s THR 2 Ca 0.00 -0.89 -0.34 0.00 0.31 0.00 0.00 61.69 60.77 1ocr s THR 2 Cb 0.00 -1.97 -0.17 0.00 0.01 0.00 0.00 72.50 70.37 1ocr s THR 2 CO 0.00 0.57 1.10 0.00 -0.69 0.00 0.00 174.62 175.59 1ocr n ALA 3 N 2.87 -1.51 -1.79 7.40 0.00 -1.26 -4.94 120.51 121.29 1ocr n ALA 3 Ca -0.17 0.49 -0.35 0.00 0.00 0.00 0.00 53.44 53.40 1ocr n ALA 3 Cb 0.52 -1.94 -0.04 0.00 0.00 0.00 0.00 19.45 17.99 1ocr n ALA 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ocr s LEU 4 N 0.78 4.03 0.66 0.00 2.01 -1.26 -5.03 118.68 119.86 1ocr s LEU 4 Ca 0.76 1.95 -0.11 0.00 0.01 0.00 0.00 54.13 56.75 1ocr s LEU 4 Cb -0.94 -4.34 -0.01 0.00 0.01 0.00 0.00 46.19 40.90 1ocr s LEU 4 CO 0.53 -0.55 1.05 0.00 1.01 0.00 0.00 176.35 178.38 1ocr s ALA 5 N -1.82 3.02 -0.07 4.21 0.00 -1.26 -4.99 121.76 120.84 1ocr s ALA 5 Ca 0.61 -0.26 -0.30 0.00 0.00 0.00 0.00 51.96 52.01 1ocr s ALA 5 Cb -0.18 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 1ocr s ALA 5 CO 0.23 -0.90 1.20 0.21 0.00 0.00 0.00 175.76 176.49 1ocr s LYS 6 N -5.24 4.34 0.84 0.00 2.20 -1.26 -5.03 119.74 115.59 1ocr s LYS 6 Ca 0.56 1.65 -0.08 0.00 -0.36 0.00 0.00 55.97 57.75 1ocr s LYS 6 Cb -0.11 -3.59 0.17 0.00 -1.51 0.00 0.00 37.83 32.79 1ocr s LYS 6 CO 0.52 -0.48 1.16 -1.25 -0.36 0.00 0.00 175.35 174.94 1ocr s PRO 7 N 2.39 1.13 -0.05 4.03 0.04 -1.26 -5.02 135.00 136.26 1ocr s PRO 7 Ca 0.55 -0.83 -0.30 0.00 0.04 0.00 0.00 61.00 60.46 1ocr s PRO 7 Cb -0.24 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 1ocr s PRO 7 CO 0.20 -1.94 1.07 -1.14 0.04 0.00 0.00 177.00 175.23 1ocr s GLN 8 N -5.51 4.44 0.00 4.56 2.00 -1.26 -4.93 119.66 118.96 1ocr s GLN 8 Ca 0.71 1.52 0.00 0.00 -2.00 0.00 0.00 55.36 55.58 1ocr s GLN 8 Cb -0.04 -3.50 0.00 0.00 0.80 0.00 0.00 33.01 30.27 1ocr s GLN 8 CO 0.49 -0.28 0.19 -1.33 -0.50 0.00 0.00 175.29 173.86 1ocr n MET 9 N 4.65 3.45 -4.44 1.67 2.81 -1.26 -4.98 117.12 119.01 1ocr n MET 9 Ca 0.09 -0.19 -0.30 0.00 -1.81 0.00 0.00 57.70 55.49 1ocr n MET 9 Cb 0.48 -0.67 -0.12 0.00 -0.71 0.00 0.00 33.22 32.21 1ocr n MET 9 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1ocr s ARG 10 N -0.55 1.82 -1.36 0.03 0.52 -1.26 -4.70 118.95 113.45 1ocr s ARG 10 Ca 0.00 -1.14 -0.07 0.00 -0.52 0.00 0.00 55.73 54.00 1ocr s ARG 10 Cb 0.00 -2.10 0.01 0.00 0.52 0.00 0.00 34.95 33.38 1ocr s ARG 10 CO 0.00 0.49 0.97 0.41 0.02 0.00 0.00 175.30 177.20 1ocr n GLY 11 N 1.07 -0.48 0.19 -3.53 0.00 -1.26 -4.91 105.19 96.28 1ocr n GLY 11 Ca -0.16 0.18 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 1ocr n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ocr h LEU 12 N -2.22 0.41 -0.04 0.99 3.38 -1.94 -0.81 115.31 115.09 1ocr h LEU 12 Ca -0.53 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.15 1ocr h LEU 12 Cb 1.35 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1ocr h LEU 12 CO 0.54 0.88 -0.25 0.25 0.09 0.00 0.00 178.44 179.95 1ocr h LEU 13 N 0.29 0.28 -0.43 1.67 5.85 -1.99 -2.05 115.31 118.93 1ocr h LEU 13 Ca 0.00 -0.69 0.01 0.00 0.84 0.00 0.00 57.88 58.05 1ocr h LEU 13 Cb 1.05 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 1ocr h LEU 13 CO 0.09 0.92 0.26 0.00 -0.34 0.00 0.00 178.44 179.38 1ocr h ALA 14 N 0.36 0.54 -0.91 1.25 0.00 -1.95 0.38 119.26 118.94 1ocr h ALA 14 Ca -0.02 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.98 1ocr h ALA 14 Cb 0.93 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.50 1ocr h ALA 14 CO 0.05 -0.05 0.55 -0.09 0.00 0.00 0.00 179.25 179.71 1ocr h ARG 15 N 0.54 0.87 -0.38 0.00 2.43 -1.14 0.43 114.38 117.13 1ocr h ARG 15 Ca 0.17 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.18 1ocr h ARG 15 Cb -0.02 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 1ocr h ARG 15 CO -0.06 0.58 -0.17 -0.09 -1.51 0.00 0.00 179.97 178.71 1ocr h ARG 16 N 0.90 0.79 0.26 0.20 2.43 -0.39 -3.04 114.38 115.54 1ocr h ARG 16 Ca 0.44 -0.34 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1ocr h ARG 16 Cb 0.41 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1ocr h ARG 16 CO -0.25 0.96 -0.13 1.25 -1.51 0.00 0.00 179.97 180.29 1ocr h LEU 17 N 0.59 -0.31 -1.31 3.80 5.85 -0.01 -2.70 115.31 121.22 1ocr h LEU 17 Ca 0.09 0.01 0.29 0.00 0.84 0.00 0.00 57.88 59.11 1ocr h LEU 17 Cb 0.72 0.08 -0.11 0.00 0.37 0.00 0.00 40.66 41.73 1ocr h LEU 17 CO 0.05 -0.22 0.68 -0.09 -0.34 0.00 0.00 178.44 178.53 1ocr h ARG 18 N -0.36 0.35 0.14 1.25 2.43 -0.92 -0.22 114.38 117.05 1ocr h ARG 18 Ca -0.03 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1ocr h ARG 18 Cb 0.28 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1ocr h ARG 18 CO 0.06 0.23 -0.07 0.35 -1.51 0.00 0.00 179.97 179.03 1ocr h PHE 19 N 0.36 -0.18 -0.27 2.20 3.57 -1.40 -3.36 116.94 117.87 1ocr h PHE 19 Ca 0.64 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 62.22 1ocr h PHE 19 Cb 1.65 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 40.44 1ocr h PHE 19 CO -0.00 -0.11 0.23 0.45 -2.23 0.00 0.00 178.31 176.65 1ocr h HIS 20 N -0.58 0.00 -0.07 0.41 3.86 -1.15 -0.75 115.15 116.86 1ocr h HIS 20 Ca -0.02 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.21 1ocr h HIS 20 Cb 0.15 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.61 1ocr h HIS 20 CO 0.03 0.00 0.06 0.97 0.86 0.00 0.00 177.93 179.85 1ocr h ILE 21 N 0.00 0.78 -0.01 2.45 6.09 -1.19 0.53 117.51 126.17 1ocr h ILE 21 Ca 0.13 0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 63.59 1ocr h ILE 21 Cb 0.59 0.96 0.00 0.00 0.47 0.00 0.00 36.82 38.84 1ocr h ILE 21 CO -0.00 0.00 -0.11 0.58 -3.07 0.00 0.00 178.15 175.55 1ocr h VAL 22 N 0.00 1.54 -0.03 2.19 2.07 -1.30 -2.56 116.25 118.17 1ocr h VAL 22 Ca 0.03 -1.76 0.01 0.00 0.82 0.00 0.00 66.70 65.80 1ocr h VAL 22 Cb 0.16 2.68 -0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1ocr h VAL 22 CO -0.00 0.47 0.03 1.23 0.02 0.00 0.00 177.57 179.32 1ocr h GLY 23 N -0.58 0.00 1.04 2.17 0.00 -1.02 -0.12 103.07 104.56 1ocr h GLY 23 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.20 1ocr h GLY 23 CO 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 176.54 176.32 1ocr h ALA 24 N 1.98 0.55 -0.46 3.60 0.00 0.10 -1.84 119.26 123.20 1ocr h ALA 24 Ca 0.02 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 1ocr h ALA 24 Cb 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ocr h ALA 24 CO -0.00 0.54 -0.22 0.74 0.00 0.00 0.00 179.25 180.31 1ocr h PHE 25 N 0.65 1.11 -0.45 0.00 0.04 -0.83 -1.50 116.94 115.97 1ocr h PHE 25 Ca 0.08 -0.28 0.05 0.00 2.80 0.00 0.00 57.97 60.62 1ocr h PHE 25 Cb 0.81 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 38.66 1ocr h PHE 25 CO 0.06 1.09 0.20 0.52 -0.60 0.00 0.00 178.31 179.58 1ocr h MET 26 N 0.81 0.38 -0.30 1.51 2.86 -0.93 -0.35 114.93 118.90 1ocr h MET 26 Ca 0.10 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.67 1ocr h MET 26 Cb 0.80 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1ocr h MET 26 CO 0.07 0.25 -0.02 0.28 1.06 0.00 0.00 176.91 178.55 1ocr h VAL 27 N 0.39 1.26 -0.20 -2.22 2.07 -1.26 -1.65 116.25 114.64 1ocr h VAL 27 Ca 0.20 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.76 1ocr h VAL 27 Cb 0.16 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1ocr h VAL 27 CO -0.18 0.32 0.06 0.28 0.02 0.00 0.00 177.57 178.07 1ocr h SER 28 N 0.34 0.05 0.94 0.57 0.02 -0.74 -1.22 113.55 113.51 1ocr h SER 28 Ca 0.08 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1ocr h SER 28 Cb 0.47 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1ocr h SER 28 CO 0.02 0.06 0.00 -0.07 -1.14 0.00 0.00 176.83 175.70 1ocr h LEU 29 N 0.15 0.00 0.68 5.07 3.38 -1.07 -2.62 115.31 120.90 1ocr h LEU 29 Ca 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1ocr h LEU 29 Cb 0.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.83 1ocr h LEU 29 CO -0.10 0.00 -0.33 1.23 0.09 0.00 0.00 178.44 179.33 1ocr h GLY 30 N 2.02 -0.95 0.36 0.83 0.00 -0.23 0.07 103.07 105.17 1ocr h GLY 30 Ca 0.00 0.35 0.11 0.00 0.00 0.00 0.00 47.33 47.79 1ocr h GLY 30 CO 0.00 -0.35 0.37 0.74 0.00 0.00 0.00 176.54 177.30 1ocr h PHE 31 N -1.18 0.65 0.37 5.60 -1.00 -1.39 0.91 116.94 120.89 1ocr h PHE 31 Ca -0.09 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.70 1ocr h PHE 31 Cb 0.70 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 40.08 1ocr h PHE 31 CO 0.01 0.20 -0.18 0.00 -1.61 0.00 0.00 178.31 176.73 1ocr h ALA 32 N 1.48 -0.49 -0.06 2.45 0.00 -1.41 -0.44 119.26 120.78 1ocr h ALA 32 Ca 0.39 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 1ocr h ALA 32 Cb 0.47 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1ocr h ALA 32 CO -0.31 -0.74 -0.19 1.79 0.00 0.00 0.00 179.25 179.79 1ocr h THR 33 N -0.56 1.17 -0.23 0.00 1.35 -0.54 -1.53 112.91 112.57 1ocr h THR 33 Ca -0.05 -0.79 -0.05 0.00 -0.55 0.00 0.00 66.41 64.97 1ocr h THR 33 Cb 0.42 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 68.17 1ocr h THR 33 CO 0.08 0.23 -0.04 0.15 -0.25 0.00 0.00 175.52 175.69 1ocr h PHE 34 N 0.09 0.48 -0.85 4.73 3.57 -0.59 -1.64 116.94 122.74 1ocr h PHE 34 Ca 0.02 -0.10 0.02 0.00 3.53 0.00 0.00 57.97 61.43 1ocr h PHE 34 Cb 0.40 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 1ocr h PHE 34 CO 0.00 0.65 0.56 -0.92 -2.23 0.00 0.00 178.31 176.38 1ocr h TYR 35 N 0.17 1.06 0.44 0.41 3.20 -0.58 -0.12 116.97 121.55 1ocr h TYR 35 Ca 0.06 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 1ocr h TYR 35 Cb 0.49 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 1ocr h TYR 35 CO 0.05 0.65 -0.32 -0.22 -1.64 0.00 0.00 178.16 176.68 1ocr h LYS 36 N 1.13 -0.70 -0.32 1.82 3.64 -0.82 -0.36 116.57 120.96 1ocr h LYS 36 Ca 0.32 0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.65 1ocr h LYS 36 Cb -0.09 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1ocr h LYS 36 CO -0.08 -0.46 -0.19 0.74 -2.27 0.00 0.00 179.45 177.19 1ocr h PHE 37 N -0.72 0.81 0.00 1.91 0.04 -1.21 0.35 116.94 118.12 1ocr h PHE 37 Ca -0.06 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 60.50 1ocr h PHE 37 Cb 0.59 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.56 1ocr h PHE 37 CO -0.08 0.93 0.00 0.00 -0.60 0.00 0.00 178.31 178.55 1ocr h ALA 38 N 0.76 1.00 0.00 2.45 0.00 -1.11 -3.26 119.26 119.09 1ocr h ALA 38 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ocr h ALA 38 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1ocr h ALA 38 CO 0.05 0.00 0.00 0.28 0.00 0.00 0.00 179.25 179.58 1ocr n VAL 39 N -2.78 0.74 0.29 0.00 0.31 -0.20 -4.66 118.33 112.03 1ocr n VAL 39 Ca 0.03 0.24 -0.14 0.00 -0.01 0.00 0.00 64.34 64.46 1ocr n VAL 39 Cb 0.37 -1.17 -0.07 0.00 -0.91 0.00 0.00 33.84 32.06 1ocr n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ocr h ALA 40 N 0.00 -1.14 -0.64 3.52 0.00 0.07 -1.50 119.26 119.56 1ocr h ALA 40 Ca 0.00 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 54.83 1ocr h ALA 40 Cb 0.00 0.53 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 1ocr h ALA 40 CO 0.00 -1.13 0.26 0.93 0.00 0.00 0.00 179.25 179.32 1ocr h GLU 41 N -0.86 0.44 -0.76 0.00 4.39 -0.66 -0.56 114.58 116.58 1ocr h GLU 41 Ca -0.07 -0.03 0.11 0.00 0.34 0.00 0.00 59.36 59.71 1ocr h GLU 41 Cb 0.70 -0.10 -0.08 0.00 -0.10 0.00 0.00 28.75 29.18 1ocr h GLU 41 CO 0.04 0.29 0.39 -0.22 -1.16 0.00 0.00 179.01 178.35 1ocr h LYS 42 N 0.46 0.61 -0.07 2.33 3.64 -1.57 -2.09 116.57 119.88 1ocr h LYS 42 Ca 0.32 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.50 1ocr h LYS 42 Cb 0.39 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1ocr h LYS 42 CO -0.30 0.40 -0.68 -0.09 -2.27 0.00 0.00 179.45 176.51 1ocr h ARG 43 N 0.63 0.30 -0.23 1.90 2.43 -0.07 -0.18 114.38 119.16 1ocr h ARG 43 Ca 0.38 -0.24 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 1ocr h ARG 43 Cb 0.43 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1ocr h ARG 43 CO -0.29 0.87 -0.08 0.87 -1.51 0.00 0.00 179.97 179.83 1ocr h LYS 44 N 0.21 0.37 -0.00 0.20 1.57 -0.66 -2.51 116.57 115.75 1ocr h LYS 44 Ca -0.02 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 1ocr h LYS 44 Cb 1.23 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 33.50 1ocr h LYS 44 CO 0.11 0.47 -0.33 -0.22 -0.57 0.00 0.00 179.45 178.91 1ocr h LYS 45 N 0.35 0.22 -0.86 3.15 3.64 -1.15 -2.76 116.57 119.17 1ocr h LYS 45 Ca 0.07 -0.24 0.18 0.00 -1.27 0.00 0.00 60.65 59.39 1ocr h LYS 45 Cb 0.37 0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 32.15 1ocr h LYS 45 CO 0.02 0.96 0.40 0.00 -2.27 0.00 0.00 179.45 178.56 1ocr h ALA 46 N 0.27 1.32 -0.01 5.00 0.00 -0.77 0.21 119.26 125.27 1ocr h ALA 46 Ca -0.04 0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 1ocr h ALA 46 Cb 1.08 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1ocr h ALA 46 CO 0.06 -0.21 -0.87 1.88 0.00 0.00 0.00 179.25 180.11 1ocr h TYR 47 N 0.51 0.48 -0.47 0.00 -1.99 -1.52 -2.38 116.97 111.60 1ocr h TYR 47 Ca 0.50 -0.25 -0.14 0.00 2.00 0.00 0.00 58.73 60.84 1ocr h TYR 47 Cb 0.83 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 39.49 1ocr h TYR 47 CO -0.12 1.05 -0.24 0.00 -0.00 0.00 0.00 178.16 178.85 1ocr h ALA 48 N 0.87 0.66 -0.35 3.88 0.00 -0.66 -2.49 119.26 121.16 1ocr h ALA 48 Ca -0.06 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 1ocr h ALA 48 Cb 1.49 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1ocr h ALA 48 CO 0.14 0.66 -0.17 -0.44 0.00 0.00 0.00 179.25 179.44 1ocr h ASP 49 N 0.84 0.76 0.44 0.00 3.32 -0.74 -2.72 116.42 118.31 1ocr h ASP 49 Ca 0.10 -0.41 -0.02 0.00 0.02 0.00 0.00 57.03 56.72 1ocr h ASP 49 Cb 0.82 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1ocr h ASP 49 CO 0.07 1.00 -0.21 0.15 -1.72 0.00 0.00 179.24 178.53 1ocr h PHE 50 N 0.52 -0.54 0.00 4.55 3.04 -1.33 -2.92 116.94 120.26 1ocr h PHE 50 Ca 0.08 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.02 1ocr h PHE 50 Cb 0.72 0.18 0.00 0.00 2.56 0.00 0.00 35.95 39.41 1ocr h PHE 50 CO 0.06 -0.30 0.00 0.66 -2.02 0.00 0.00 178.31 176.71 1ocr n TYR 51 N -5.31 0.00 0.01 0.41 4.01 -0.95 -3.80 117.16 111.53 1ocr n TYR 51 Ca -0.11 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.53 1ocr n TYR 51 Cb 0.26 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.22 1ocr n TYR 51 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1ocr h ARG 52 N 0.00 -0.13 -2.30 -0.72 9.65 -1.27 -3.37 114.38 116.24 1ocr h ARG 52 Ca 0.00 0.01 -0.65 0.00 -1.10 0.00 0.00 59.98 58.24 1ocr h ARG 52 Cb 0.00 0.03 -0.38 0.00 -1.39 0.00 0.00 29.97 28.23 1ocr h ARG 52 CO 0.00 0.34 -0.23 0.09 2.80 0.00 0.00 179.97 182.97 1ocr n ASN 53 N -4.83 5.01 -4.39 -3.80 5.03 -1.25 -5.03 115.26 106.01 1ocr n ASN 53 Ca -0.07 -3.63 -0.32 0.00 0.87 0.00 0.00 54.58 51.44 1ocr n ASN 53 Cb 0.26 -0.74 -0.15 0.00 -1.02 0.00 0.00 39.78 38.14 1ocr n ASN 53 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1ocr s TYR 54 N -3.40 2.57 -0.27 3.10 5.04 -1.25 -5.06 117.35 118.08 1ocr s TYR 54 Ca 0.44 -0.38 0.01 0.00 -2.44 0.00 0.00 57.07 54.71 1ocr s TYR 54 Cb 0.22 -1.61 0.07 0.00 0.35 0.00 0.00 41.96 40.99 1ocr s TYR 54 CO -0.10 0.02 -0.03 0.34 -1.34 0.00 0.00 175.55 174.45 1ocr s ASP 55 N -0.50 4.13 0.42 4.32 -1.08 -1.26 -4.99 116.67 117.71 1ocr s ASP 55 Ca 0.06 -1.44 0.09 0.00 -0.52 0.00 0.00 52.55 50.74 1ocr s ASP 55 Cb -0.11 -1.28 0.89 0.00 -1.46 0.00 0.00 42.92 40.95 1ocr s ASP 55 CO 0.01 -0.28 2.01 0.77 0.52 0.00 0.00 175.17 178.21 1ocr h SER 56 N 7.88 0.31 -0.11 -0.34 4.64 -1.98 -1.30 113.55 122.66 1ocr h SER 56 Ca -0.15 -0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.10 1ocr h SER 56 Cb 1.05 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1ocr h SER 56 CO 0.45 0.31 -0.11 -0.03 -0.87 0.00 0.00 176.83 176.58 1ocr h MET 57 N 0.35 0.27 -0.16 4.77 -1.53 -1.98 0.23 114.93 116.87 1ocr h MET 57 Ca 0.09 -0.14 0.04 0.00 -3.44 0.00 0.00 59.70 56.24 1ocr h MET 57 Cb 0.12 0.01 -0.04 0.00 -0.55 0.00 0.00 31.60 31.14 1ocr h MET 57 CO -0.01 0.68 -0.07 -0.22 0.14 0.00 0.00 176.91 177.44 1ocr h LYS 58 N -0.14 -0.05 -0.56 0.39 3.64 -1.90 0.23 116.57 118.18 1ocr h LYS 58 Ca 0.02 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1ocr h LYS 58 Cb 0.64 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.42 1ocr h LYS 58 CO 0.03 -0.03 0.29 0.22 -2.27 0.00 0.00 179.45 177.69 1ocr h ASP 59 N -0.05 0.43 0.25 4.20 3.58 -1.22 -0.30 116.42 123.31 1ocr h ASP 59 Ca 0.09 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.56 1ocr h ASP 59 Cb 0.18 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 1ocr h ASP 59 CO -0.19 0.29 -0.19 0.15 -2.88 0.00 0.00 179.24 176.42 1ocr h PHE 60 N 0.56 -0.49 -0.32 0.28 3.57 0.69 -1.65 116.94 119.59 1ocr h PHE 60 Ca 0.25 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.82 1ocr h PHE 60 Cb 0.15 0.18 -0.07 0.00 2.79 0.00 0.00 35.95 39.00 1ocr h PHE 60 CO -0.09 -0.29 -0.15 0.93 -2.23 0.00 0.00 178.31 176.48 1ocr h GLU 61 N -0.44 -0.09 -0.83 1.11 4.39 -0.02 0.47 114.58 119.17 1ocr h GLU 61 Ca -0.02 0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.81 1ocr h GLU 61 Cb 0.39 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 28.98 1ocr h GLU 61 CO -0.00 -0.06 0.44 0.93 -1.16 0.00 0.00 179.01 179.16 1ocr h GLU 62 N -0.10 0.67 -0.45 2.33 5.08 -0.90 -0.13 114.58 121.09 1ocr h GLU 62 Ca 0.16 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.36 1ocr h GLU 62 Cb 0.34 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1ocr h GLU 62 CO -0.38 0.45 -0.22 0.52 -1.00 0.00 0.00 179.01 178.37 1ocr h MET 63 N 0.69 0.94 0.06 2.33 2.86 -0.05 -2.65 114.93 119.11 1ocr h MET 63 Ca 0.42 -0.41 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1ocr h MET 63 Cb 0.50 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 1ocr h MET 63 CO -0.30 1.07 -0.03 -0.09 1.06 0.00 0.00 176.91 178.62 1ocr h ARG 64 N 0.77 -0.08 0.00 1.72 2.43 0.12 -2.63 114.38 116.71 1ocr h ARG 64 Ca 0.10 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1ocr h ARG 64 Cb 0.79 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.36 1ocr h ARG 64 CO 0.07 -0.05 -0.03 0.87 -1.51 0.00 0.00 179.97 179.32 1ocr h LYS 65 N -0.08 0.00 0.00 0.20 1.57 -1.02 0.15 116.57 117.39 1ocr h LYS 65 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1ocr h LYS 65 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1ocr h LYS 65 CO 0.01 0.03 0.00 0.00 -0.57 0.00 0.00 179.45 178.92 1ocr n ALA 66 N -2.43 2.08 -2.04 3.86 0.00 -1.00 -4.91 120.51 116.07 1ocr n ALA 66 Ca -0.03 -0.08 -0.05 0.00 0.00 0.00 0.00 53.44 53.28 1ocr n ALA 66 Cb 0.11 -1.38 -0.00 0.00 0.00 0.00 0.00 19.45 18.18 1ocr n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ocr n GLY 67 N 0.88 0.20 0.14 0.00 0.00 0.04 -4.97 105.19 101.47 1ocr n GLY 67 Ca 0.06 -0.68 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 1ocr n GLY 67 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1ocr h ILE 68 N 0.00 1.27 -4.17 -0.61 3.07 -1.73 -3.47 117.51 111.87 1ocr h ILE 68 Ca -0.12 -2.73 -0.50 0.00 1.55 0.00 0.00 64.86 63.06 1ocr h ILE 68 Cb 1.04 3.00 0.09 0.00 -0.27 0.00 0.00 36.82 40.68 1ocr h ILE 68 CO 0.14 0.83 0.39 -0.36 -1.05 0.00 0.00 178.15 178.10 1ocr s PHE 69 N -2.61 2.71 -1.32 0.16 0.08 -1.26 -4.98 117.98 110.77 1ocr s PHE 69 Ca -0.09 1.54 0.14 0.00 0.12 0.00 0.00 56.93 58.64 1ocr s PHE 69 Cb 0.05 -3.16 0.01 0.00 -0.57 0.00 0.00 43.02 39.35 1ocr s PHE 69 CO 0.93 -1.52 0.79 0.00 -0.10 0.00 0.00 175.22 175.31 1ocr n GLN 70 N -2.04 1.73 0.00 0.44 10.64 -1.26 -4.44 117.38 122.45 1ocr n GLN 70 Ca 0.10 -0.81 0.03 0.00 -1.83 0.00 0.00 57.00 54.50 1ocr n GLN 70 Cb 0.52 -1.21 0.02 0.00 -0.86 0.00 0.00 30.24 28.72 1ocr n GLN 70 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1ocr n SER 71 N -0.05 1.46 -3.31 2.61 3.41 -1.26 -4.85 113.62 111.62 1ocr n SER 71 Ca 0.06 -1.23 -0.11 0.00 -0.26 0.00 0.00 58.87 57.33 1ocr n SER 71 Cb 0.30 0.07 -0.06 0.00 -0.26 0.00 0.00 64.21 64.26 1ocr n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ocr s ALA 72 N -0.62 -1.03 -2.30 7.33 0.00 -1.26 -5.26 121.76 118.61 1ocr s ALA 72 Ca 0.07 -0.54 0.30 0.00 0.00 0.00 0.00 51.96 51.79 1ocr s ALA 72 Cb 0.05 -2.24 1.39 0.00 0.00 0.00 0.00 23.12 22.32 1ocr s ALA 72 CO 0.09 -2.12 1.94 1.63 0.00 0.00 0.00 175.76 177.30