#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocr n SER 2 N 0.00 1.59 0.00 0.00 2.88 -1.26 -5.11 113.62 111.72 1ocr n SER 2 Ca 0.00 -0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.29 1ocr n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ocr n SER 2 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ocr n GLY 3 N 3.97 0.38 5.35 0.46 0.00 -1.26 -5.15 105.19 108.95 1ocr n GLY 3 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1ocr n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ocr n GLY 4 N 0.00 -1.94 0.00 -0.02 0.00 -1.26 -5.03 105.19 96.94 1ocr n GLY 4 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1ocr n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ocr n GLY 5 N 0.00 2.00 3.69 -0.02 0.00 -1.26 -5.09 105.19 104.52 1ocr n GLY 5 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1ocr n GLY 5 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ocr s VAL 6 N -2.05 5.35 0.90 1.61 -7.23 -1.26 -5.06 120.40 112.66 1ocr s VAL 6 Ca 0.00 0.31 -0.10 0.00 -1.81 0.00 0.00 61.98 60.38 1ocr s VAL 6 Cb 0.00 -3.54 0.14 0.00 0.56 0.00 0.00 36.38 33.54 1ocr s VAL 6 CO 0.00 0.37 1.15 -2.16 -0.31 0.00 0.00 175.10 174.15 1ocr s PRO 7 N 0.77 1.09 0.39 4.82 0.04 -1.26 -5.05 135.00 135.80 1ocr s PRO 7 Ca 0.11 1.54 0.08 0.00 0.04 0.00 0.00 61.00 62.76 1ocr s PRO 7 Cb -0.13 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 1ocr s PRO 7 CO 0.03 -2.58 0.28 0.95 0.04 0.00 0.00 177.00 175.72 1ocr s THR 8 N -2.66 2.73 0.10 1.26 -4.23 -1.26 -4.99 115.64 106.60 1ocr s THR 8 Ca 0.67 -1.49 -0.18 0.00 -1.18 0.00 0.00 61.69 59.50 1ocr s THR 8 Cb -0.23 -3.02 -0.06 0.00 1.34 0.00 0.00 72.50 70.54 1ocr s THR 8 CO 0.58 -0.05 1.63 0.44 -0.54 0.00 0.00 174.62 176.67 1ocr h ASP 9 N 1.24 0.39 -1.14 3.99 3.32 -1.96 -0.63 116.42 121.62 1ocr h ASP 9 Ca -0.42 -0.19 0.32 0.00 0.02 0.00 0.00 57.03 56.76 1ocr h ASP 9 Cb 1.26 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.65 1ocr h ASP 9 CO 0.62 0.48 0.80 -0.08 -1.72 0.00 0.00 179.24 179.33 1ocr h GLU 10 N 0.28 0.11 0.00 3.56 4.22 -1.96 0.12 114.58 120.91 1ocr h GLU 10 Ca 0.09 -0.01 -0.08 0.00 0.08 0.00 0.00 59.36 59.44 1ocr h GLU 10 Cb 0.22 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1ocr h GLU 10 CO -0.00 0.07 -2.03 -0.85 -2.18 0.00 0.00 179.01 174.01 1ocr n GLU 11 N -4.32 0.68 -0.00 1.92 0.28 -0.95 -4.75 120.64 113.50 1ocr n GLU 11 Ca 0.26 -0.15 0.01 0.00 -0.16 0.00 0.00 57.16 57.12 1ocr n GLU 11 Cb 1.14 -1.49 -0.01 0.00 1.43 0.00 0.00 31.44 32.51 1ocr n GLU 11 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1ocr n GLN 12 N -2.34 1.06 -1.73 3.44 7.27 -0.29 -4.97 117.38 119.82 1ocr n GLN 12 Ca -0.10 -0.01 -0.42 0.00 0.07 0.00 0.00 57.00 56.53 1ocr n GLN 12 Cb 0.68 -0.96 -0.01 0.00 2.41 0.00 0.00 30.24 32.36 1ocr n GLN 12 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ocr n ALA 13 N -1.47 2.03 -3.89 1.69 0.00 0.30 -4.99 120.51 114.19 1ocr n ALA 13 Ca -0.00 0.37 -0.10 0.00 0.00 0.00 0.00 53.44 53.71 1ocr n ALA 13 Cb 0.04 -2.38 -0.02 0.00 0.00 0.00 0.00 19.45 17.08 1ocr n ALA 13 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1ocr n THR 14 N 1.18 0.00 -0.61 0.00 5.66 -1.26 -4.65 114.28 114.59 1ocr n THR 14 Ca 0.06 -0.82 0.00 0.00 -3.05 0.00 0.00 64.05 60.23 1ocr n THR 14 Cb 0.37 0.27 0.00 0.00 -1.55 0.00 0.00 70.33 69.42 1ocr n THR 14 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ocr n GLY 15 N 1.52 1.08 0.32 1.09 0.00 -1.26 -0.98 105.19 106.97 1ocr n GLY 15 Ca -0.03 -0.48 0.12 0.00 0.00 0.00 0.00 46.02 45.63 1ocr n GLY 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ocr h LEU 16 N 0.00 0.16 -0.18 0.99 5.85 -1.99 -0.83 115.31 119.31 1ocr h LEU 16 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ocr h LEU 16 Cb 0.00 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1ocr h LEU 16 CO 0.00 0.10 0.11 -0.08 -0.34 0.00 0.00 178.44 178.23 1ocr h GLU 17 N 0.18 0.25 -0.50 1.25 4.81 -1.91 0.54 114.58 119.21 1ocr h GLU 17 Ca 0.16 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1ocr h GLU 17 Cb 0.41 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1ocr h GLU 17 CO -0.03 0.22 0.09 -0.09 -0.73 0.00 0.00 179.01 178.47 1ocr h ARG 18 N 0.21 0.82 -0.39 1.92 2.43 0.28 -0.29 114.38 119.36 1ocr h ARG 18 Ca 0.07 -0.22 0.04 0.00 -0.81 0.00 0.00 59.98 59.06 1ocr h ARG 18 Cb 0.03 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 1ocr h ARG 18 CO -0.01 0.81 0.16 0.93 -1.51 0.00 0.00 179.97 180.34 1ocr h GLU 19 N 0.70 0.32 0.00 0.20 5.08 -0.86 0.28 114.58 120.30 1ocr h GLU 19 Ca 0.15 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.39 1ocr h GLU 19 Cb 0.38 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1ocr h GLU 19 CO 0.01 0.21 -0.48 -0.39 -1.00 0.00 0.00 179.01 177.36 1ocr h VAL 20 N 0.33 1.14 0.08 3.13 -1.51 -0.72 -0.62 116.25 118.07 1ocr h VAL 20 Ca 0.17 -1.77 -0.00 0.00 -1.23 0.00 0.00 66.70 63.88 1ocr h VAL 20 Cb 0.13 2.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 1ocr h VAL 20 CO -0.16 0.47 -0.04 -0.03 -1.23 0.00 0.00 177.57 176.58 1ocr h MET 21 N 0.00 -0.11 0.29 5.19 1.85 0.52 -0.57 114.93 122.11 1ocr h MET 21 Ca -0.00 0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.08 1ocr h MET 21 Cb 0.97 0.02 0.00 0.00 0.43 0.00 0.00 31.60 33.03 1ocr h MET 21 CO 0.06 0.13 -0.14 -0.07 -0.40 0.00 0.00 176.91 176.49 1ocr h LEU 22 N -0.34 -0.33 -1.46 3.39 3.38 -0.42 -2.86 115.31 116.66 1ocr h LEU 22 Ca -0.01 -0.15 0.21 0.00 0.09 0.00 0.00 57.88 58.01 1ocr h LEU 22 Cb 0.29 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.05 1ocr h LEU 22 CO 0.02 -0.02 0.61 0.00 0.09 0.00 0.00 178.44 179.14 1ocr h ALA 23 N -0.06 2.17 -0.09 1.53 0.00 -1.13 -0.45 119.26 121.23 1ocr h ALA 23 Ca -0.04 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1ocr h ALA 23 Cb 0.47 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1ocr h ALA 23 CO 0.07 -0.47 -0.11 0.00 0.00 0.00 0.00 179.25 178.73 1ocr h ALA 24 N 1.61 1.64 -0.45 0.00 0.00 -0.86 -2.27 119.26 118.93 1ocr h ALA 24 Ca 0.49 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 1ocr h ALA 24 Cb 1.18 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1ocr h ALA 24 CO -0.20 0.26 -0.21 0.00 0.00 0.00 0.00 179.25 179.11 1ocr h ARG 25 N 0.13 0.91 0.00 0.00 3.08 -1.02 -2.88 114.38 114.61 1ocr h ARG 25 Ca 0.03 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.70 1ocr h ARG 25 Cb 0.29 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1ocr h ARG 25 CO 0.02 1.03 0.00 1.63 -1.07 0.00 0.00 179.97 181.58 1ocr n LYS 26 N -4.11 0.99 -1.00 0.04 5.02 -1.09 -4.88 118.16 113.13 1ocr n LYS 26 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ocr n LYS 26 Cb 0.44 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 1ocr n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ocr n GLY 27 N 0.79 0.51 3.95 0.72 0.00 -1.09 -5.04 105.19 105.04 1ocr n GLY 27 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 1ocr n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ocr s GLN 28 N -0.06 3.33 -0.39 1.61 -0.21 -0.87 -5.01 119.66 118.05 1ocr s GLN 28 Ca 0.00 -0.45 0.10 0.00 0.02 0.00 0.00 55.36 55.03 1ocr s GLN 28 Cb 0.00 -2.65 0.31 0.00 1.00 0.00 0.00 33.01 31.67 1ocr s GLN 28 CO 0.00 0.02 0.71 -3.47 -2.12 0.00 0.00 175.29 170.43 1ocr n ASP 29 N -1.85 0.13 0.32 5.90 2.03 -1.26 -3.93 116.55 117.87 1ocr n ASP 29 Ca -0.03 -3.00 0.21 0.00 0.52 0.00 0.00 54.79 52.50 1ocr n ASP 29 Cb 0.57 -0.25 1.06 0.00 -0.72 0.00 0.00 41.12 41.78 1ocr n ASP 29 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1ocr h PRO 30 N 3.36 0.00 -0.59 -0.67 0.13 -1.97 -2.90 132.00 129.36 1ocr h PRO 30 Ca 0.06 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.98 1ocr h PRO 30 Cb 0.96 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.96 1ocr h PRO 30 CO 0.44 0.00 0.19 0.66 -0.23 0.00 0.00 178.00 179.06 1ocr n TYR 31 N -3.05 1.91 -4.32 1.56 4.01 -1.26 -4.97 117.16 111.04 1ocr n TYR 31 Ca -0.02 -1.33 -0.32 0.00 -0.16 0.00 0.00 57.90 56.07 1ocr n TYR 31 Cb 0.13 -0.60 -0.09 0.00 -0.31 0.00 0.00 39.34 38.47 1ocr n TYR 31 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1ocr n ASN 32 N -0.60 0.37 0.09 7.72 3.02 -1.09 -4.84 115.26 119.93 1ocr n ASN 32 Ca 0.38 -1.25 0.05 0.00 -0.03 0.00 0.00 54.58 53.73 1ocr n ASN 32 Cb 1.25 -1.73 -0.01 0.00 -0.61 0.00 0.00 39.78 38.68 1ocr n ASN 32 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1ocr h ILE 33 N -1.65 0.40 -2.58 2.41 2.04 -1.93 -3.47 117.51 112.73 1ocr h ILE 33 Ca -0.65 -1.68 -0.56 0.00 1.00 0.00 0.00 64.86 62.97 1ocr h ILE 33 Cb 1.40 1.98 -0.08 0.00 -0.74 0.00 0.00 36.82 39.38 1ocr h ILE 33 CO 0.73 0.23 -0.59 -0.76 0.00 0.00 0.00 178.15 177.76 1ocr s LEU 34 N -5.87 3.63 0.02 1.44 1.02 -1.26 -5.10 118.68 112.56 1ocr s LEU 34 Ca 0.00 -0.27 -0.23 0.00 0.02 0.00 0.00 54.13 53.65 1ocr s LEU 34 Cb 0.08 -2.22 -0.05 0.00 0.02 0.00 0.00 46.19 44.02 1ocr s LEU 34 CO 0.78 0.04 0.69 0.00 0.02 0.00 0.00 176.35 177.88 1ocr s ALA 35 N -1.89 3.42 0.29 4.21 0.00 -1.26 -5.03 121.76 121.50 1ocr s ALA 35 Ca 0.31 0.17 -0.29 0.00 0.00 0.00 0.00 51.96 52.14 1ocr s ALA 35 Cb -0.09 -2.88 -0.10 0.00 0.00 0.00 0.00 23.12 20.05 1ocr s ALA 35 CO 0.22 0.11 1.13 -2.14 0.00 0.00 0.00 175.76 175.08 1ocr s PRO 36 N -0.11 4.60 0.10 0.00 0.02 -1.26 -5.03 135.00 133.32 1ocr s PRO 36 Ca 0.35 1.86 -0.24 0.00 0.02 0.00 0.00 61.00 62.99 1ocr s PRO 36 Cb -0.19 -3.17 -0.07 0.00 0.02 0.00 0.00 34.50 31.08 1ocr s PRO 36 CO 0.20 0.16 0.74 0.15 -0.33 0.00 0.00 177.00 177.92 1ocr s LYS 37 N -1.48 4.48 0.46 5.54 -0.14 -1.26 -5.05 119.74 122.29 1ocr s LYS 37 Ca 0.45 1.04 -0.17 0.00 -1.36 0.00 0.00 55.97 55.93 1ocr s LYS 37 Cb -0.33 -3.30 -0.09 0.00 -1.68 0.00 0.00 37.83 32.43 1ocr s LYS 37 CO 0.43 0.45 0.94 0.00 -0.76 0.00 0.00 175.35 176.41 1ocr s ALA 38 N -0.66 3.10 0.08 5.17 0.00 -1.26 -4.99 121.76 123.20 1ocr s ALA 38 Ca 0.36 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1ocr s ALA 38 Cb -0.21 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1ocr s ALA 38 CO 0.24 -0.05 0.00 0.25 0.00 0.00 0.00 175.76 176.19 1ocr n THR 39 N -1.16 0.00 0.61 0.00 -2.24 -1.26 -4.98 114.28 105.25 1ocr n THR 39 Ca 0.06 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.97 1ocr n THR 39 Cb 0.54 -0.63 0.33 0.00 -2.10 0.00 0.00 70.33 68.47 1ocr n THR 39 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ocr n SER 40 N 0.00 0.79 -0.78 3.42 3.41 -1.24 -4.93 113.62 114.29 1ocr n SER 40 Ca 0.00 0.44 -0.10 0.00 -0.26 0.00 0.00 58.87 58.95 1ocr n SER 40 Cb 0.00 -0.51 -0.04 0.00 -0.26 0.00 0.00 64.21 63.39 1ocr n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ocr n GLY 41 N 1.31 1.14 3.95 5.00 0.00 -0.34 -4.90 105.19 111.35 1ocr n GLY 41 Ca 0.05 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 1ocr n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ocr s THR 42 N -2.29 2.01 0.35 2.61 -4.23 -1.09 -0.28 115.64 112.71 1ocr s THR 42 Ca 0.00 -0.08 0.12 0.00 -1.18 0.00 0.00 61.69 60.55 1ocr s THR 42 Cb 0.00 -2.92 0.07 0.00 1.34 0.00 0.00 72.50 70.99 1ocr s THR 42 CO 0.00 0.00 1.79 0.50 -0.54 0.00 0.00 174.62 176.37 1ocr h LYS 43 N -1.58 0.00 0.00 3.99 3.64 -1.95 -2.48 116.57 118.19 1ocr h LYS 43 Ca -0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1ocr h LYS 43 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1ocr h LYS 43 CO 0.34 0.42 -1.09 -0.85 -2.27 0.00 0.00 179.45 176.00 1ocr n GLU 44 N -4.04 0.51 -3.14 1.90 0.00 -1.26 -4.36 120.64 110.25 1ocr n GLU 44 Ca -0.02 0.05 -0.22 0.00 0.00 0.00 0.00 57.16 56.97 1ocr n GLU 44 Cb 0.45 -1.72 -0.04 0.00 0.00 0.00 0.00 31.44 30.12 1ocr n GLU 44 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1ocr n ASP 45 N -2.40 1.92 -4.81 -1.84 2.03 -1.15 -5.11 116.55 105.18 1ocr n ASP 45 Ca 0.00 -3.17 -0.31 0.00 0.52 0.00 0.00 54.79 51.83 1ocr n ASP 45 Cb 0.51 -0.61 0.07 0.00 -0.72 0.00 0.00 41.12 40.37 1ocr n ASP 45 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1ocr s PRO 46 N -2.51 2.61 0.00 -0.67 0.04 -0.95 -1.20 135.00 132.33 1ocr s PRO 46 Ca 0.42 0.86 -0.30 0.00 0.04 0.00 0.00 61.00 62.02 1ocr s PRO 46 Cb 0.29 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.82 1ocr s PRO 46 CO -0.09 -1.31 1.17 -0.80 0.04 0.00 0.00 177.00 176.01 1ocr s ASN 47 N -3.81 7.10 -0.47 6.66 0.01 -0.04 -4.78 114.94 119.61 1ocr s ASN 47 Ca 0.59 1.89 -0.20 0.00 -0.71 0.00 0.00 52.86 54.43 1ocr s ASN 47 Cb -0.14 -2.57 0.04 0.00 0.41 0.00 0.00 41.25 38.99 1ocr s ASN 47 CO 0.55 -0.50 0.63 -0.76 -1.51 0.00 0.00 177.10 175.51 1ocr s LEU 48 N 1.56 4.69 -0.52 0.60 1.43 -1.26 0.35 118.68 125.53 1ocr s LEU 48 Ca 0.57 -0.59 -0.19 0.00 -1.03 0.00 0.00 54.13 52.89 1ocr s LEU 48 Cb -0.26 -2.59 0.07 0.00 0.03 0.00 0.00 46.19 43.44 1ocr s LEU 48 CO 0.26 -0.82 0.62 -0.69 0.23 0.00 0.00 176.35 175.94 1ocr s VAL 49 N 2.74 4.90 0.35 -1.59 1.01 0.07 -4.93 120.40 122.95 1ocr s VAL 49 Ca 0.19 -0.69 -0.27 0.00 0.00 0.00 0.00 61.98 61.21 1ocr s VAL 49 Cb -0.16 -4.33 -0.09 0.00 0.00 0.00 0.00 36.38 31.80 1ocr s VAL 49 CO 0.16 -0.86 1.17 -2.84 0.00 0.00 0.00 175.10 172.73 1ocr s PRO 50 N 2.52 4.28 -0.02 2.72 0.02 -1.26 -1.13 135.00 142.14 1ocr s PRO 50 Ca 0.13 1.89 -0.13 0.00 0.02 0.00 0.00 61.00 62.91 1ocr s PRO 50 Cb -0.21 -2.88 0.02 0.00 0.02 0.00 0.00 34.50 31.44 1ocr s PRO 50 CO 0.10 -0.14 0.27 0.45 -0.33 0.00 0.00 177.00 177.35 1ocr s SER 51 N -0.96 -0.15 0.00 2.53 0.15 0.17 -4.78 113.70 110.66 1ocr s SER 51 Ca 0.52 0.05 0.22 0.00 0.70 0.00 0.00 55.95 57.44 1ocr s SER 51 Cb -0.32 0.31 0.52 0.00 -1.71 0.00 0.00 66.02 64.81 1ocr s SER 51 CO 0.41 -0.41 1.44 0.00 1.20 0.00 0.00 173.24 175.89 1ocr n ILE 52 N 1.41 0.42 -2.77 6.45 3.06 -1.26 0.21 119.36 126.88 1ocr n ILE 52 Ca -0.21 -0.62 0.00 0.00 -2.50 0.00 0.00 62.75 59.41 1ocr n ILE 52 Cb 0.56 0.78 0.00 0.00 0.54 0.00 0.00 39.64 41.52 1ocr n ILE 52 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 1ocr n THR 53 N 1.13 0.00 -0.69 9.51 -1.04 -1.26 -3.71 114.28 118.22 1ocr n THR 53 Ca 0.18 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.27 1ocr n THR 53 Cb 0.52 0.00 0.30 0.00 -1.82 0.00 0.00 70.33 69.33 1ocr n THR 53 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1ocr n ASN 54 N 0.00 4.29 -3.63 8.00 6.94 -1.26 -4.94 115.26 124.66 1ocr n ASN 54 Ca 0.00 -2.59 -0.10 0.00 -0.02 0.00 0.00 54.58 51.87 1ocr n ASN 54 Cb 0.00 -0.52 -0.07 0.00 -2.36 0.00 0.00 39.78 36.83 1ocr n ASN 54 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 1ocr s LYS 55 N -2.09 0.54 0.01 -3.83 -2.85 -1.26 -1.11 119.74 109.15 1ocr s LYS 55 Ca 0.44 0.57 -0.01 0.00 -1.00 0.00 0.00 55.97 55.97 1ocr s LYS 55 Cb 0.30 0.26 -0.01 0.00 -2.06 0.00 0.00 37.83 36.33 1ocr s LYS 55 CO 0.17 -0.08 0.01 0.50 0.10 0.00 0.00 175.35 176.05 1ocr s ARG 56 N 0.09 0.24 0.14 1.78 3.52 -0.83 -4.93 118.95 118.95 1ocr s ARG 56 Ca 0.02 -0.38 -0.30 0.00 -0.13 0.00 0.00 55.73 54.95 1ocr s ARG 56 Cb -0.05 0.09 -0.06 0.00 -1.56 0.00 0.00 34.95 33.37 1ocr s ARG 56 CO -0.05 -0.04 0.95 0.42 -0.81 0.00 0.00 175.30 175.77 1ocr s ILE 57 N -0.97 4.42 -0.03 4.11 1.01 -1.26 -0.69 121.20 127.78 1ocr s ILE 57 Ca -0.11 2.06 0.05 0.00 0.00 0.00 0.00 60.65 62.65 1ocr s ILE 57 Cb -0.07 -4.32 -0.03 0.00 0.01 0.00 0.00 42.46 38.06 1ocr s ILE 57 CO -0.00 0.36 -0.17 -0.69 0.00 0.00 0.00 174.94 174.43 1ocr s VAL 58 N -0.27 2.82 -0.16 2.92 1.01 0.27 -4.91 120.40 122.08 1ocr s VAL 58 Ca 0.45 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.57 1ocr s VAL 58 Cb -0.24 -2.10 0.02 0.00 0.00 0.00 0.00 36.38 34.06 1ocr s VAL 58 CO 0.30 0.55 -0.20 -0.83 0.00 0.00 0.00 175.10 174.91 1ocr s GLY 59 N -0.83 1.35 -0.27 4.51 0.00 -1.26 -0.90 107.32 109.93 1ocr s GLY 59 Ca 0.12 -1.14 -0.06 0.00 0.00 0.00 0.00 44.72 43.64 1ocr s GLY 59 CO 0.01 0.18 0.05 0.00 0.00 0.00 0.00 173.10 173.34 1ocr s ILE 61 N 1.51 4.82 0.34 0.00 1.01 -1.26 -1.93 121.20 125.69 1ocr s ILE 61 Ca 0.04 -1.96 0.15 0.00 0.00 0.00 0.00 60.65 58.88 1ocr s ILE 61 Cb -0.16 -4.84 0.33 0.00 0.01 0.00 0.00 42.46 37.80 1ocr s ILE 61 CO 0.01 -1.57 1.66 0.00 0.00 0.00 0.00 174.94 175.04 1ocr s GLU 63 N -5.65 0.02 0.04 0.00 2.02 -1.26 -5.05 118.70 108.81 1ocr s GLU 63 Ca -0.10 0.04 -0.03 0.00 0.02 0.00 0.00 54.97 54.90 1ocr s GLU 63 Cb 0.30 -0.01 0.03 0.00 0.10 0.00 0.00 34.13 34.55 1ocr s GLU 63 CO 0.79 -0.02 0.26 -1.91 0.02 0.00 0.00 175.26 174.40 1ocr n GLU 64 N 3.18 -0.05 -1.37 1.61 2.13 -1.26 -0.77 120.64 124.11 1ocr n GLU 64 Ca -0.14 0.25 -0.28 0.00 0.66 0.00 0.00 57.16 57.66 1ocr n GLU 64 Cb 0.59 -0.38 0.10 0.00 0.27 0.00 0.00 31.44 32.02 1ocr n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1ocr n ASP 65 N -4.24 6.04 -4.82 4.31 8.00 -1.26 -4.99 116.55 119.60 1ocr n ASP 65 Ca 0.01 -3.75 -0.35 0.00 0.71 0.00 0.00 54.79 51.41 1ocr n ASP 65 Cb 0.06 -0.82 -0.06 0.00 -0.02 0.00 0.00 41.12 40.28 1ocr n ASP 65 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1ocr s ASN 66 N -2.09 7.03 -0.03 -2.24 -0.87 0.05 -4.96 114.94 111.83 1ocr s ASN 66 Ca 0.59 1.51 0.18 0.00 -1.57 0.00 0.00 52.86 53.57 1ocr s ASN 66 Cb 0.48 -2.46 -0.21 0.00 -0.02 0.00 0.00 41.25 39.04 1ocr s ASN 66 CO 0.02 -0.10 0.54 -1.20 -2.57 0.00 0.00 177.10 173.79 1ocr n SER 67 N 0.23 0.44 -4.68 -1.22 7.64 -1.26 -4.87 113.62 109.91 1ocr n SER 67 Ca 0.01 0.20 -0.36 0.00 1.01 0.00 0.00 58.87 59.73 1ocr n SER 67 Cb 0.52 0.77 -0.09 0.00 -1.01 0.00 0.00 64.21 64.40 1ocr n SER 67 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ocr s THR 68 N -2.93 5.36 -0.06 0.44 2.01 -1.26 -5.08 115.64 114.12 1ocr s THR 68 Ca -0.06 0.24 -0.11 0.00 0.31 0.00 0.00 61.69 62.07 1ocr s THR 68 Cb 0.09 -3.52 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 1ocr s THR 68 CO 0.84 0.36 0.28 -0.69 -0.69 0.00 0.00 174.62 174.73 1ocr s VAL 69 N 0.87 5.25 -0.27 3.82 1.01 -1.26 -4.71 120.40 125.11 1ocr s VAL 69 Ca 0.09 0.55 -0.16 0.00 0.00 0.00 0.00 61.98 62.46 1ocr s VAL 69 Cb -0.13 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1ocr s VAL 69 CO 0.03 0.58 0.43 -0.63 0.00 0.00 0.00 175.10 175.51 1ocr s ILE 70 N -0.93 5.13 -0.11 2.22 -1.09 -0.81 -4.87 121.20 120.74 1ocr s ILE 70 Ca 0.19 0.65 -0.04 0.00 -2.23 0.00 0.00 60.65 59.22 1ocr s ILE 70 Cb -0.14 -3.76 -0.04 0.00 -1.58 0.00 0.00 42.46 36.94 1ocr s ILE 70 CO 0.09 0.11 0.05 0.26 -1.23 0.00 0.00 174.94 174.21 1ocr s TRP 71 N 2.17 3.30 -0.07 3.97 0.52 -1.26 0.09 118.94 127.66 1ocr s TRP 71 Ca 0.17 0.27 -0.30 0.00 0.02 0.00 0.00 56.10 56.27 1ocr s TRP 71 Cb -0.16 -1.86 0.10 0.00 -1.15 0.00 0.00 33.47 30.40 1ocr s TRP 71 CO 0.10 0.51 0.84 -0.59 0.02 0.00 0.00 176.95 177.83 1ocr s PHE 72 N -0.78 -0.47 -0.11 -1.98 -0.71 -0.08 -4.97 117.98 108.87 1ocr s PHE 72 Ca 0.12 0.70 -0.27 0.00 -1.04 0.00 0.00 56.93 56.45 1ocr s PHE 72 Cb -0.12 0.46 -0.02 0.00 -1.21 0.00 0.00 43.02 42.13 1ocr s PHE 72 CO 0.03 -0.50 0.88 -1.58 -1.34 0.00 0.00 175.22 172.70 1ocr s TRP 73 N -1.67 3.51 -0.18 3.49 0.52 -1.26 0.96 118.94 124.31 1ocr s TRP 73 Ca -0.03 1.41 -0.14 0.00 0.02 0.00 0.00 56.10 57.35 1ocr s TRP 73 Cb -0.00 -3.04 -0.04 0.00 -1.15 0.00 0.00 33.47 29.23 1ocr s TRP 73 CO 0.02 -0.15 0.31 -1.17 0.02 0.00 0.00 176.95 175.98 1ocr s LEU 74 N 1.73 4.21 0.25 2.99 0.20 0.13 -4.92 118.68 123.27 1ocr s LEU 74 Ca 0.43 0.48 0.08 0.00 0.69 0.00 0.00 54.13 55.81 1ocr s LEU 74 Cb -0.18 -2.39 -0.04 0.00 -0.43 0.00 0.00 46.19 43.15 1ocr s LEU 74 CO 0.17 0.05 0.11 -1.00 -0.29 0.00 0.00 176.35 175.39 1ocr s HIS 75 N 0.71 2.94 0.11 5.38 3.76 -1.26 -1.97 115.29 124.95 1ocr s HIS 75 Ca 0.17 -0.15 -0.31 0.00 -0.15 0.00 0.00 55.06 54.61 1ocr s HIS 75 Cb -0.13 -1.32 -0.09 0.00 1.11 0.00 0.00 32.58 32.14 1ocr s HIS 75 CO 0.05 0.56 1.62 0.21 -0.85 0.00 0.00 174.74 176.33 1ocr s LYS 76 N -3.71 4.20 0.00 1.40 2.20 -0.26 -4.39 119.74 119.18 1ocr s LYS 76 Ca 0.32 2.35 0.00 0.00 -0.36 0.00 0.00 55.97 58.28 1ocr s LYS 76 Cb -0.07 -3.43 0.00 0.00 -1.51 0.00 0.00 37.83 32.82 1ocr s LYS 76 CO 0.23 -0.69 0.00 0.41 -0.36 0.00 0.00 175.35 174.94 1ocr n GLY 77 N 3.91 0.29 3.89 5.54 0.00 -1.26 -5.07 105.19 112.49 1ocr n GLY 77 Ca 0.15 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 1ocr n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ocr s GLU 78 N -2.00 2.67 0.25 1.61 2.02 -1.26 -4.72 118.70 117.27 1ocr s GLU 78 Ca 0.00 0.29 -0.30 0.00 0.02 0.00 0.00 54.97 54.98 1ocr s GLU 78 Cb 0.00 -2.05 -0.11 0.00 0.10 0.00 0.00 34.13 32.07 1ocr s GLU 78 CO 0.00 -1.10 1.56 0.00 0.02 0.00 0.00 175.26 175.74 1ocr s ALA 79 N -3.34 3.73 0.28 5.21 0.00 -1.26 -4.84 121.76 121.54 1ocr s ALA 79 Ca 0.58 1.47 0.08 0.00 0.00 0.00 0.00 51.96 54.09 1ocr s ALA 79 Cb -0.11 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 1ocr s ALA 79 CO 0.50 -0.87 0.14 -0.65 0.00 0.00 0.00 175.76 174.88 1ocr s GLN 80 N -0.05 2.65 0.14 0.00 -0.21 -0.58 -4.89 119.66 116.71 1ocr s GLN 80 Ca 0.64 -1.26 0.08 0.00 0.02 0.00 0.00 55.36 54.85 1ocr s GLN 80 Cb -0.46 -2.39 -0.04 0.00 1.00 0.00 0.00 33.01 31.13 1ocr s GLN 80 CO 0.42 0.31 -0.13 1.03 -2.12 0.00 0.00 175.29 174.81 1ocr s ARG 81 N -3.82 1.98 0.20 2.91 0.52 -1.26 -1.02 118.95 118.47 1ocr s ARG 81 Ca 0.34 -1.17 -0.31 0.00 -0.52 0.00 0.00 55.73 54.08 1ocr s ARG 81 Cb -0.06 -2.19 -0.10 0.00 0.52 0.00 0.00 34.95 33.12 1ocr s ARG 81 CO 0.23 0.47 1.50 0.00 0.02 0.00 0.00 175.30 177.53 1ocr h PRO 83 N 5.96 0.00 0.00 0.00 0.11 -1.97 0.18 132.00 136.29 1ocr h PRO 83 Ca -0.44 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.24 1ocr h PRO 83 Cb 1.21 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 1ocr h PRO 83 CO 0.85 0.00 -2.49 0.45 -0.21 0.00 0.00 178.00 176.59 1ocr n SER 84 N -2.98 1.96 -0.09 -2.05 2.88 -1.26 -4.79 113.62 107.29 1ocr n SER 84 Ca -0.03 0.13 0.03 0.00 -1.33 0.00 0.00 58.87 57.68 1ocr n SER 84 Cb 0.12 -0.63 -0.02 0.00 -0.75 0.00 0.00 64.21 62.93 1ocr n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ocr n GLY 86 N 0.96 0.92 3.69 0.00 0.00 0.63 -4.90 105.19 106.48 1ocr n GLY 86 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1ocr n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ocr n THR 87 N -2.03 2.67 -3.64 2.61 -1.04 -1.26 -4.36 114.28 107.22 1ocr n THR 87 Ca 0.00 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.05 61.15 1ocr n THR 87 Cb 0.00 -1.49 -0.06 0.00 -1.82 0.00 0.00 70.33 66.96 1ocr n THR 87 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1ocr s HIS 88 N -1.23 3.63 0.01 -1.42 0.09 0.61 -0.49 115.29 116.50 1ocr s HIS 88 Ca 0.63 0.77 0.01 0.00 -0.00 0.00 0.00 55.06 56.46 1ocr s HIS 88 Cb -0.51 -2.13 -0.01 0.00 -0.00 0.00 0.00 32.58 29.94 1ocr s HIS 88 CO 0.57 0.62 -0.03 0.71 -0.00 0.00 0.00 174.74 176.60 1ocr s TYR 89 N -1.21 0.28 -0.04 1.40 1.51 -0.19 -0.86 117.35 118.24 1ocr s TYR 89 Ca 0.26 -0.16 0.01 0.00 -1.01 0.00 0.00 57.07 56.16 1ocr s TYR 89 Cb -0.14 -0.18 0.02 0.00 -0.11 0.00 0.00 41.96 41.55 1ocr s TYR 89 CO 0.14 -0.04 -0.03 0.21 -1.11 0.00 0.00 175.55 174.72 1ocr s LYS 90 N -0.43 0.62 0.61 -0.62 2.20 0.16 -1.52 119.74 120.75 1ocr s LYS 90 Ca -0.03 -0.03 -0.17 0.00 -0.36 0.00 0.00 55.97 55.39 1ocr s LYS 90 Cb -0.03 -0.70 -0.02 0.00 -1.51 0.00 0.00 37.83 35.57 1ocr s LYS 90 CO -0.00 -0.11 1.12 -1.17 -0.36 0.00 0.00 175.35 174.83 1ocr s LEU 91 N 0.97 3.53 -0.02 5.43 2.96 -1.26 -0.75 118.68 129.53 1ocr s LEU 91 Ca -0.10 2.07 -0.20 0.00 -0.22 0.00 0.00 54.13 55.68 1ocr s LEU 91 Cb -0.14 -4.56 0.04 0.00 0.50 0.00 0.00 46.19 42.02 1ocr s LEU 91 CO -0.01 -1.47 0.42 -0.69 -1.32 0.00 0.00 176.35 173.28 1ocr s VAL 92 N -2.12 0.04 0.27 1.68 1.01 -0.29 -4.80 120.40 116.20 1ocr s VAL 92 Ca 0.69 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 62.04 1ocr s VAL 92 Cb -0.22 -0.74 -0.09 0.00 0.00 0.00 0.00 36.38 35.32 1ocr s VAL 92 CO 0.36 -0.19 1.20 -2.16 0.00 0.00 0.00 175.10 174.31 1ocr s PRO 93 N -1.36 4.51 0.79 2.72 0.04 -1.26 0.45 135.00 140.87 1ocr s PRO 93 Ca -0.12 1.96 -0.11 0.00 0.04 0.00 0.00 61.00 62.77 1ocr s PRO 93 Cb -0.03 -3.16 0.06 0.00 0.04 0.00 0.00 34.50 31.40 1ocr s PRO 93 CO 0.05 -0.00 1.09 -1.58 0.04 0.00 0.00 177.00 176.60 1ocr s HIS 94 N -0.83 2.84 0.63 0.56 2.46 0.13 -4.52 115.29 116.56 1ocr s HIS 94 Ca 0.48 1.22 0.36 0.00 0.47 0.00 0.00 55.06 57.59 1ocr s HIS 94 Cb -0.35 -3.08 2.01 0.00 -0.13 0.00 0.00 32.58 31.04 1ocr s HIS 94 CO 0.43 -1.72 2.23 1.96 -2.47 0.00 0.00 174.74 175.18 1ocr h GLN 95 N -1.06 0.00 -0.46 2.88 7.50 -1.95 -2.62 115.11 119.40 1ocr h GLN 95 Ca -0.46 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.69 1ocr h GLN 95 Cb 1.26 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.79 1ocr h GLN 95 CO 0.58 0.00 0.00 1.28 -1.50 0.00 0.00 178.83 179.19 1ocr n LEU 96 N -3.42 2.38 -4.06 1.46 7.99 -1.26 -4.99 117.00 115.09 1ocr n LEU 96 Ca -0.02 -1.19 -0.30 0.00 -0.01 0.00 0.00 56.01 54.49 1ocr n LEU 96 Cb 0.16 -0.31 -0.04 0.00 -0.11 0.00 0.00 43.42 43.12 1ocr n LEU 96 CO 0.23 0.54 -0.29 0.00 -1.51 0.00 0.00 177.39 176.36 1ocr n ALA 97 N 0.67 -2.13 -0.60 -1.18 0.00 -0.99 -5.13 120.51 111.15 1ocr n ALA 97 Ca 0.14 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1ocr n ALA 97 Cb 0.40 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1ocr n ALA 97 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22