#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j8r s SER 4 N 0.00 4.03 -0.19 0.00 0.15 -0.52 -4.90 113.70 112.27 2j8r s SER 4 Ca 0.00 -0.45 -0.06 0.00 0.70 0.00 0.00 55.95 56.14 2j8r s SER 4 Cb 0.00 -0.67 -0.03 0.00 -1.71 0.00 0.00 66.02 63.61 2j8r s SER 4 CO 0.00 0.21 0.03 -0.63 1.20 0.00 0.00 173.24 174.04 2j8r s ILE 5 N -1.09 4.36 0.20 6.45 -1.09 -1.26 -1.05 121.20 127.72 2j8r s ILE 5 Ca 0.18 -0.18 -0.10 0.00 -2.23 0.00 0.00 60.65 58.32 2j8r s ILE 5 Cb -0.11 -2.96 -0.01 0.00 -1.58 0.00 0.00 42.46 37.80 2j8r s ILE 5 CO 0.09 0.44 0.35 0.00 -1.23 0.00 0.00 174.94 174.60 2j8r s ARG 6 N 0.66 1.33 0.41 2.79 1.70 -0.79 -4.98 118.95 120.09 2j8r s ARG 6 Ca 0.01 -1.25 -0.25 0.00 -0.47 0.00 0.00 55.73 53.78 2j8r s ARG 6 Cb -0.14 0.41 -0.08 0.00 -0.57 0.00 0.00 34.95 34.57 2j8r s ARG 6 CO 0.02 -0.52 1.18 -0.51 -1.08 0.00 0.00 175.30 174.39 2j8r s ASP 7 N -3.01 6.42 0.53 -2.89 1.01 -1.26 -0.56 116.67 116.91 2j8r s ASP 7 Ca 0.22 2.36 -0.18 0.00 0.71 0.00 0.00 52.55 55.65 2j8r s ASP 7 Cb 0.02 -2.61 -0.07 0.00 1.01 0.00 0.00 42.92 41.27 2j8r s ASP 7 CO 0.05 -0.75 1.04 0.00 0.21 0.00 0.00 175.17 175.73 2j8r s ALA 8 N -1.44 2.83 0.36 5.23 0.00 0.68 -4.76 121.76 124.67 2j8r s ALA 8 Ca 0.59 0.51 0.05 0.00 0.00 0.00 0.00 51.96 53.11 2j8r s ALA 8 Cb -0.31 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.51 2j8r s ALA 8 CO 0.38 -0.50 0.04 0.20 0.00 0.00 0.00 175.76 175.89 2j8r s GLY 9 N -2.33 2.26 0.36 0.00 0.00 -1.26 -4.98 107.32 101.38 2j8r s GLY 9 Ca 0.66 -2.08 0.09 0.00 0.00 0.00 0.00 44.72 43.39 2j8r s GLY 9 CO 0.27 -1.92 1.88 -2.08 0.00 0.00 0.00 173.10 171.25 2j8r h VAL 10 N 1.97 0.85 0.00 1.40 2.07 -2.03 -0.34 116.25 120.17 2j8r h VAL 10 Ca -0.42 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2j8r h VAL 10 Cb 1.25 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2j8r h VAL 10 CO 0.73 0.12 0.00 0.00 0.02 0.00 0.00 177.57 178.45 2j8r h ALA 11 N 1.60 1.00 0.00 1.67 0.00 -2.02 -2.02 119.26 119.49 2j8r h ALA 11 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2j8r h ALA 11 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2j8r h ALA 11 CO -0.18 0.00 -0.47 -0.25 0.00 0.00 0.00 179.25 178.35 2j8r n ASP 12 N -2.56 0.67 -0.35 0.00 8.00 -0.14 -4.33 116.55 117.85 2j8r n ASP 12 Ca -0.00 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.69 2j8r n ASP 12 Cb 0.14 -0.04 0.14 0.00 -0.02 0.00 0.00 41.12 41.34 2j8r n ASP 12 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2j8r h LEU 13 N 0.00 1.00 -1.17 0.64 3.38 -1.42 -1.03 115.31 116.71 2j8r h LEU 13 Ca 0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2j8r h LEU 13 Cb 0.71 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 2j8r h LEU 13 CO 0.00 0.67 0.39 -0.65 0.09 0.00 0.00 178.44 178.94 2j8r h PRO 14 N 1.16 0.96 -0.37 1.13 0.11 -1.79 0.35 132.00 133.55 2j8r h PRO 14 Ca 0.39 -0.10 -0.10 0.00 0.11 0.00 0.00 66.00 66.30 2j8r h PRO 14 Cb 0.06 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 2j8r h PRO 14 CO -0.14 0.70 -0.14 0.78 -0.21 0.00 0.00 178.00 178.99 2j8r h GLY 15 N 1.02 0.81 1.07 -0.55 0.00 -1.67 -2.15 103.07 101.60 2j8r h GLY 15 Ca 0.25 -0.71 -0.08 0.00 0.00 0.00 0.00 47.33 46.80 2j8r h GLY 15 CO -0.04 0.64 0.12 -2.22 0.00 0.00 0.00 176.54 175.04 2j8r h ILE 16 N 0.55 1.26 -0.54 2.60 2.04 -0.73 -2.58 117.51 120.11 2j8r h ILE 16 Ca 0.09 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 64.93 2j8r h ILE 16 Cb 0.67 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 2j8r h ILE 16 CO 0.05 0.39 0.35 0.25 0.00 0.00 0.00 178.15 179.18 2j8r h LEU 17 N 1.03 0.58 -0.46 1.44 5.85 -0.18 -0.25 115.31 123.31 2j8r h LEU 17 Ca 0.20 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 2j8r h LEU 17 Cb 0.43 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 2j8r h LEU 17 CO 0.01 0.41 0.25 0.00 -0.34 0.00 0.00 178.44 178.77 2j8r h ALA 18 N 1.22 0.59 -0.29 1.25 0.00 -1.21 0.09 119.26 120.92 2j8r h ALA 18 Ca 0.21 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2j8r h ALA 18 Cb -0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2j8r h ALA 18 CO -0.07 0.13 0.12 0.82 0.00 0.00 0.00 179.25 180.25 2j8r h ILE 19 N 0.61 1.18 0.18 0.00 2.04 -1.18 -0.75 117.51 119.58 2j8r h ILE 19 Ca 0.16 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.49 2j8r h ILE 19 Cb 0.07 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 2j8r h ILE 19 CO -0.02 0.18 -0.16 0.22 0.00 0.00 0.00 178.15 178.37 2j8r h TYR 20 N 0.33 -0.41 -0.09 1.37 3.20 -0.82 -1.23 116.97 119.33 2j8r h TYR 20 Ca 0.10 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 2j8r h TYR 20 Cb 0.17 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 2j8r h TYR 20 CO -0.01 -0.24 -0.11 -0.91 -1.64 0.00 0.00 178.16 175.26 2j8r h ASN 21 N -0.35 0.12 0.13 -2.11 2.35 -0.91 -0.45 115.58 114.35 2j8r h ASN 21 Ca -0.00 -0.02 -0.15 0.00 -0.55 0.00 0.00 56.30 55.58 2j8r h ASN 21 Cb 0.33 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 2j8r h ASN 21 CO -0.03 0.24 -0.54 0.44 -1.65 0.00 0.00 177.43 175.89 2j8r h ASP 22 N 0.12 0.49 -0.16 5.81 3.32 -0.80 -1.74 116.42 123.47 2j8r h ASP 22 Ca 0.03 -0.26 -0.13 0.00 0.02 0.00 0.00 57.03 56.68 2j8r h ASP 22 Cb 0.27 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 2j8r h ASP 22 CO 0.02 0.94 -0.35 0.00 -1.72 0.00 0.00 179.24 178.12 2j8r h ALA 23 N 1.07 0.82 -0.54 3.45 0.00 -0.22 -0.33 119.26 123.50 2j8r h ALA 23 Ca 0.01 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2j8r h ALA 23 Cb 1.06 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2j8r h ALA 23 CO 0.10 0.64 0.31 0.28 0.00 0.00 0.00 179.25 180.58 2j8r h VAL 24 N 0.57 1.17 0.00 0.00 2.07 -0.88 -1.88 116.25 117.30 2j8r h VAL 24 Ca 0.06 -0.41 -0.17 0.00 0.82 0.00 0.00 66.70 67.00 2j8r h VAL 24 Cb 0.87 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 2j8r h VAL 24 CO 0.08 0.18 -0.97 1.23 0.02 0.00 0.00 177.57 178.11 2j8r h GLY 25 N 0.73 0.00 -0.19 2.17 0.00 -1.14 -3.41 103.07 101.22 2j8r h GLY 25 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2j8r h GLY 25 CO -0.03 0.00 -0.11 0.70 0.00 0.00 0.00 176.54 177.10 2j8r n ASN 26 N -3.16 0.78 -3.97 0.19 5.03 -0.15 -5.08 115.26 108.91 2j8r n ASN 26 Ca -0.03 -0.89 -0.22 0.00 0.87 0.00 0.00 54.58 54.31 2j8r n ASN 26 Cb 0.84 0.52 -0.09 0.00 -1.02 0.00 0.00 39.78 40.04 2j8r n ASN 26 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2j8r s THR 27 N -0.94 0.43 -0.43 3.41 -4.23 -0.71 -5.03 115.64 108.14 2j8r s THR 27 Ca 0.04 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.70 2j8r s THR 27 Cb 0.04 -2.45 0.56 0.00 1.34 0.00 0.00 72.50 71.98 2j8r s THR 27 CO 0.13 0.00 1.47 0.35 -0.54 0.00 0.00 174.62 176.02 2j8r n THR 28 N -0.73 2.08 0.08 3.99 -2.24 -1.26 -4.52 114.28 111.68 2j8r n THR 28 Ca -0.01 -1.58 -0.05 0.00 -2.27 0.00 0.00 64.05 60.14 2j8r n THR 28 Cb 0.65 -0.08 0.13 0.00 -2.10 0.00 0.00 70.33 68.93 2j8r n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2j8r h ALA 29 N 2.43 0.88 -3.31 6.98 0.00 -1.96 -3.42 119.26 120.86 2j8r h ALA 29 Ca 0.00 -0.52 -0.55 0.00 0.00 0.00 0.00 54.91 53.84 2j8r h ALA 29 Cb 1.40 -0.09 -0.35 0.00 0.00 0.00 0.00 17.79 18.76 2j8r h ALA 29 CO 0.23 0.70 -0.82 -1.50 0.00 0.00 0.00 179.25 177.86 2j8r s ILE 30 N -3.84 1.27 -1.23 0.00 1.10 -1.26 -4.89 121.20 112.35 2j8r s ILE 30 Ca -0.04 -0.51 -0.06 0.00 -0.51 0.00 0.00 60.65 59.53 2j8r s ILE 30 Cb 0.12 -1.18 0.09 0.00 0.15 0.00 0.00 42.46 41.64 2j8r s ILE 30 CO 0.80 0.39 2.50 0.79 -2.11 0.00 0.00 174.94 177.31 2j8r n TRP 31 N 4.20 2.43 -4.13 3.50 7.02 -1.26 -4.80 117.44 124.39 2j8r n TRP 31 Ca -0.19 -2.72 -0.15 0.00 -1.02 0.00 0.00 57.50 53.41 2j8r n TRP 31 Cb 0.51 -1.84 -0.13 0.00 -2.42 0.00 0.00 31.31 27.44 2j8r n TRP 31 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 2j8r s ASN 32 N 0.55 0.94 0.00 -0.99 0.01 -1.26 -5.02 114.94 109.17 2j8r s ASN 32 Ca 0.56 -0.42 0.01 0.00 -0.71 0.00 0.00 52.86 52.31 2j8r s ASN 32 Cb 0.21 -0.02 0.01 0.00 0.41 0.00 0.00 41.25 41.87 2j8r s ASN 32 CO -0.11 -0.09 0.59 -0.62 -1.51 0.00 0.00 177.10 175.36 2j8r n GLU 33 N 1.92 -0.42 -4.02 -0.60 1.02 -1.26 -4.74 120.64 112.54 2j8r n GLU 33 Ca -0.19 -0.68 -0.35 0.00 -0.02 0.00 0.00 57.16 55.92 2j8r n GLU 33 Cb 0.56 -1.02 -0.12 0.00 -0.02 0.00 0.00 31.44 30.83 2j8r n GLU 33 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2j8r s THR 34 N -0.19 4.03 0.68 2.62 -1.32 -1.26 -4.88 115.64 115.31 2j8r s THR 34 Ca 0.01 -0.28 -0.13 0.00 -1.21 0.00 0.00 61.69 60.08 2j8r s THR 34 Cb 0.01 -2.83 0.01 0.00 -1.51 0.00 0.00 72.50 68.18 2j8r s THR 34 CO 0.01 0.42 1.09 -2.16 -2.21 0.00 0.00 174.62 171.77 2j8r s PRO 35 N 1.07 2.75 0.48 7.08 0.04 -1.26 -5.06 135.00 140.10 2j8r s PRO 35 Ca 0.02 1.25 0.06 0.00 0.04 0.00 0.00 61.00 62.37 2j8r s PRO 35 Cb -0.14 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 2j8r s PRO 35 CO 0.02 -1.27 0.28 0.14 0.04 0.00 0.00 177.00 176.21 2j8r s VAL 36 N -2.60 1.98 0.51 -0.36 -7.23 -1.26 -5.14 120.40 106.30 2j8r s VAL 36 Ca 0.64 -1.59 0.05 0.00 -1.81 0.00 0.00 61.98 59.26 2j8r s VAL 36 Cb -0.18 -2.57 0.01 0.00 0.56 0.00 0.00 36.38 34.19 2j8r s VAL 36 CO 0.46 0.00 0.25 1.51 -0.31 0.00 0.00 175.10 177.01 2j8r s ASP 37 N -4.09 4.46 0.27 4.85 3.84 -1.26 -4.98 116.67 119.77 2j8r s ASP 37 Ca 0.36 -1.31 -0.02 0.00 -0.00 0.00 0.00 52.55 51.57 2j8r s ASP 37 Cb 0.00 0.25 0.42 0.00 -1.38 0.00 0.00 42.92 42.21 2j8r s ASP 37 CO 0.21 -0.92 1.90 0.25 -0.00 0.00 0.00 175.17 176.61 2j8r h LEU 38 N 1.05 1.03 -1.12 2.11 5.85 -1.99 -1.67 115.31 120.56 2j8r h LEU 38 Ca -0.40 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.37 2j8r h LEU 38 Cb 1.30 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 42.05 2j8r h LEU 38 CO 0.64 0.67 0.60 0.00 -0.34 0.00 0.00 178.44 180.02 2j8r h ALA 39 N 1.46 1.46 -0.39 1.25 0.00 -1.99 0.11 119.26 121.16 2j8r h ALA 39 Ca 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2j8r h ALA 39 Cb 0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2j8r h ALA 39 CO -0.15 0.43 0.25 -0.97 0.00 0.00 0.00 179.25 178.80 2j8r h ASN 40 N 1.10 0.45 0.17 0.00 -0.73 -1.71 -0.90 115.58 113.96 2j8r h ASN 40 Ca 0.38 -0.03 -0.11 0.00 1.87 0.00 0.00 56.30 58.42 2j8r h ASN 40 Cb 0.11 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 38.58 2j8r h ASN 40 CO -0.13 0.34 -0.39 0.03 -0.37 0.00 0.00 177.43 176.91 2j8r h ARG 41 N 0.52 0.30 -0.56 6.67 2.47 -1.02 -1.51 114.38 121.23 2j8r h ARG 41 Ca 0.14 -0.14 -0.11 0.00 -1.26 0.00 0.00 59.98 58.61 2j8r h ARG 41 Cb -0.04 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.26 2j8r h ARG 41 CO -0.03 0.65 -0.08 0.37 0.56 0.00 0.00 179.97 181.44 2j8r h GLN 42 N 0.25 1.04 -0.49 0.04 5.75 -0.41 0.10 115.11 121.40 2j8r h GLN 42 Ca 0.03 -0.37 -0.04 0.00 -0.15 0.00 0.00 58.65 58.12 2j8r h GLN 42 Cb 0.80 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.26 2j8r h GLN 42 CO 0.06 1.06 0.16 0.00 -2.65 0.00 0.00 178.83 177.46 2j8r h ALA 43 N 0.96 0.65 -0.63 3.38 0.00 -0.93 -1.77 119.26 120.92 2j8r h ALA 43 Ca 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2j8r h ALA 43 Cb 0.64 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2j8r h ALA 43 CO 0.04 0.30 0.36 2.35 0.00 0.00 0.00 179.25 182.30 2j8r h TRP 44 N 0.67 0.85 -0.16 0.00 7.01 -1.01 -0.06 115.95 123.25 2j8r h TRP 44 Ca 0.16 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.18 2j8r h TRP 44 Cb 0.27 -0.28 -0.03 0.00 -2.10 0.00 0.00 29.16 27.02 2j8r h TRP 44 CO 0.01 0.60 -0.01 0.35 -2.79 0.00 0.00 178.44 176.60 2j8r h PHE 45 N 0.86 -0.03 -0.19 2.65 3.57 -0.46 -1.21 116.94 122.13 2j8r h PHE 45 Ca 0.22 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.60 2j8r h PHE 45 Cb 0.01 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 2j8r h PHE 45 CO -0.01 -0.03 -0.47 -0.44 -2.23 0.00 0.00 178.31 175.12 2j8r h ASP 46 N 0.04 0.54 -0.58 0.41 3.32 -1.14 -2.85 116.42 116.16 2j8r h ASP 46 Ca 0.08 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 56.83 2j8r h ASP 46 Cb 0.10 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 2j8r h ASP 46 CO -0.14 0.93 0.21 0.00 -1.72 0.00 0.00 179.24 178.52 2j8r h ALA 47 N 1.09 0.76 -0.39 3.45 0.00 -0.69 -1.84 119.26 121.64 2j8r h ALA 47 Ca 0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2j8r h ALA 47 Cb 0.98 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2j8r h ALA 47 CO 0.09 0.40 0.13 0.00 0.00 0.00 0.00 179.25 179.86 2j8r h ARG 48 N 0.81 0.60 -0.64 0.00 2.47 -1.20 -2.69 114.38 113.72 2j8r h ARG 48 Ca 0.19 -0.12 0.05 0.00 -1.26 0.00 0.00 59.98 58.83 2j8r h ARG 48 Cb 0.24 -0.09 -0.05 0.00 -1.65 0.00 0.00 29.97 28.42 2j8r h ARG 48 CO -0.01 0.60 0.37 0.00 0.56 0.00 0.00 179.97 181.48 2j8r h ALA 49 N 0.97 0.85 -0.29 0.04 0.00 -1.36 -0.72 119.26 118.76 2j8r h ALA 49 Ca 0.13 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.12 2j8r h ALA 49 Cb 0.24 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2j8r h ALA 49 CO -0.01 0.07 0.21 0.00 0.00 0.00 0.00 179.25 179.52 2j8r h ARG 50 N 0.70 0.02 -0.02 0.00 3.08 -1.01 -0.84 114.38 116.31 2j8r h ARG 50 Ca 0.28 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 2j8r h ARG 50 Cb 0.13 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2j8r h ARG 50 CO -0.15 0.01 -0.11 1.04 -1.07 0.00 0.00 179.97 179.69 2j8r n GLN 51 N -4.46 1.63 -1.03 0.04 6.02 -0.50 -4.93 117.38 114.15 2j8r n GLN 51 Ca 0.04 -1.14 -0.01 0.00 -0.01 0.00 0.00 57.00 55.88 2j8r n GLN 51 Cb 0.36 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 30.13 2j8r n GLN 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2j8r n GLY 52 N 1.28 0.50 3.75 1.08 0.00 -0.32 -5.01 105.19 106.47 2j8r n GLY 52 Ca 0.15 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 2j8r n GLY 52 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2j8r s TYR 53 N -1.97 3.60 0.61 1.61 4.12 -0.40 -5.00 117.35 119.92 2j8r s TYR 53 Ca 0.00 1.05 -0.11 0.00 0.02 0.00 0.00 57.07 58.03 2j8r s TYR 53 Cb 0.00 -2.57 -0.04 0.00 -1.52 0.00 0.00 41.96 37.83 2j8r s TYR 53 CO 0.00 0.27 1.01 -1.25 0.02 0.00 0.00 175.55 175.60 2j8r s PRO 54 N 0.19 3.61 -0.18 -1.71 0.04 -1.26 -4.03 135.00 131.66 2j8r s PRO 54 Ca 0.29 0.72 -0.02 0.00 0.04 0.00 0.00 61.00 62.03 2j8r s PRO 54 Cb -0.17 -2.10 0.05 0.00 0.04 0.00 0.00 34.50 32.33 2j8r s PRO 54 CO 0.14 -0.54 0.02 0.42 0.04 0.00 0.00 177.00 177.09 2j8r s ILE 55 N -3.13 0.57 0.07 0.56 1.01 -1.26 -3.83 121.20 115.18 2j8r s ILE 55 Ca 0.55 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.74 2j8r s ILE 55 Cb -0.11 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 2j8r s ILE 55 CO 0.53 -0.13 0.03 -0.76 0.00 0.00 0.00 174.94 174.60 2j8r s LEU 56 N 1.85 3.58 0.04 2.97 1.43 0.54 -0.23 118.68 128.87 2j8r s LEU 56 Ca -0.00 -0.09 0.05 0.00 -1.03 0.00 0.00 54.13 53.06 2j8r s LEU 56 Cb -0.16 -2.25 -0.02 0.00 0.03 0.00 0.00 46.19 43.78 2j8r s LEU 56 CO -0.08 0.19 -0.14 0.68 0.23 0.00 0.00 176.35 177.23 2j8r s VAL 57 N -1.29 1.15 -0.26 -1.59 -7.23 0.28 -0.79 120.40 110.65 2j8r s VAL 57 Ca 0.26 -1.05 -0.10 0.00 -1.81 0.00 0.00 61.98 59.27 2j8r s VAL 57 Cb -0.12 -1.04 -0.04 0.00 0.56 0.00 0.00 36.38 35.73 2j8r s VAL 57 CO 0.18 -0.02 0.15 0.00 -0.31 0.00 0.00 175.10 175.11 2j8r s ALA 58 N -0.91 3.44 0.17 1.32 0.00 0.07 -1.88 121.76 123.99 2j8r s ALA 58 Ca 0.01 -1.07 0.08 0.00 0.00 0.00 0.00 51.96 50.99 2j8r s ALA 58 Cb -0.08 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 2j8r s ALA 58 CO 0.01 -0.47 -0.17 -1.54 0.00 0.00 0.00 175.76 173.59 2j8r s SER 59 N 1.61 2.65 0.38 0.00 1.04 -0.21 -0.22 113.70 118.95 2j8r s SER 59 Ca 0.07 -0.90 0.05 0.00 0.48 0.00 0.00 55.95 55.65 2j8r s SER 59 Cb -0.15 -0.15 0.05 0.00 0.10 0.00 0.00 66.02 65.86 2j8r s SER 59 CO 0.08 -0.07 0.39 -0.90 0.98 0.00 0.00 173.24 173.73 2j8r n ASP 60 N 0.14 1.88 -0.01 7.02 5.68 -1.16 -1.44 116.55 128.66 2j8r n ASP 60 Ca -0.12 -2.19 0.14 0.00 -0.50 0.00 0.00 54.79 52.12 2j8r n ASP 60 Cb 0.58 -0.14 0.57 0.00 -1.14 0.00 0.00 41.12 40.99 2j8r n ASP 60 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2j8r h ALA 61 N 0.51 2.16 0.00 2.12 0.00 -2.01 0.55 119.26 122.58 2j8r h ALA 61 Ca -0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2j8r h ALA 61 Cb 0.86 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2j8r h ALA 61 CO 0.33 -0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.30 2j8r n ALA 62 N -2.56 2.41 -0.77 0.00 0.00 -1.26 -4.89 120.51 113.44 2j8r n ALA 62 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2j8r n ALA 62 Cb 0.40 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.39 2j8r n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2j8r n GLY 63 N 1.18 0.62 3.77 0.00 0.00 0.18 -5.04 105.19 105.92 2j8r n GLY 63 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 2j8r n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2j8r s GLU 64 N -0.23 4.03 -0.50 1.61 2.02 -1.26 -4.80 118.70 119.57 2j8r s GLU 64 Ca 0.00 1.70 -0.26 0.00 0.02 0.00 0.00 54.97 56.43 2j8r s GLU 64 Cb 0.00 -2.56 0.03 0.00 0.10 0.00 0.00 34.13 31.70 2j8r s GLU 64 CO 0.00 -0.31 0.98 0.08 0.02 0.00 0.00 175.26 176.03 2j8r s VAL 65 N -1.53 4.38 -1.01 2.63 1.01 -1.26 -2.98 120.40 121.63 2j8r s VAL 65 Ca 0.59 0.68 0.24 0.00 0.00 0.00 0.00 61.98 63.49 2j8r s VAL 65 Cb -0.27 -4.51 -0.03 0.00 0.00 0.00 0.00 36.38 31.57 2j8r s VAL 65 CO 0.33 -0.98 1.32 0.18 0.00 0.00 0.00 175.10 175.95 2j8r n LEU 66 N 7.45 0.60 0.00 3.92 4.77 0.70 -4.86 117.00 129.58 2j8r n LEU 66 Ca 0.06 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 2j8r n LEU 66 Cb 0.48 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2j8r n LEU 66 CO 0.65 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 2j8r n GLY 67 N 1.50 1.45 3.31 -0.72 0.00 -1.20 -0.07 105.19 109.46 2j8r n GLY 67 Ca 0.05 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 45.19 2j8r n GLY 67 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2j8r s TYR 68 N -2.00 0.28 0.04 1.61 -0.85 0.47 -0.75 117.35 116.15 2j8r s TYR 68 Ca 0.00 -0.66 -0.17 0.00 -0.52 0.00 0.00 57.07 55.72 2j8r s TYR 68 Cb 0.00 -0.02 0.03 0.00 0.38 0.00 0.00 41.96 42.35 2j8r s TYR 68 CO 0.00 -0.68 0.37 0.00 -1.52 0.00 0.00 175.55 173.72 2j8r s ALA 69 N -3.93 -0.90 0.21 9.51 0.00 0.03 -0.62 121.76 126.06 2j8r s ALA 69 Ca 0.13 0.23 -0.22 0.00 0.00 0.00 0.00 51.96 52.10 2j8r s ALA 69 Cb 0.03 0.31 0.07 0.00 0.00 0.00 0.00 23.12 23.53 2j8r s ALA 69 CO -0.04 -0.42 0.98 0.45 0.00 0.00 0.00 175.76 176.73 2j8r s SER 70 N -1.94 -0.04 0.15 0.00 0.15 -0.64 -0.34 113.70 111.04 2j8r s SER 70 Ca -0.06 -0.68 -0.12 0.00 0.70 0.00 0.00 55.95 55.79 2j8r s SER 70 Cb -0.01 0.55 0.01 0.00 -1.71 0.00 0.00 66.02 64.86 2j8r s SER 70 CO -0.02 -1.08 0.34 -0.72 1.20 0.00 0.00 173.24 172.97 2j8r s TYR 71 N -2.48 0.15 0.04 3.44 1.13 -1.25 -0.66 117.35 117.72 2j8r s TYR 71 Ca 0.18 -0.51 -0.01 0.00 -1.41 0.00 0.00 57.07 55.32 2j8r s TYR 71 Cb -0.03 0.10 0.00 0.00 -1.10 0.00 0.00 41.96 40.93 2j8r s TYR 71 CO 0.05 -0.74 0.07 0.41 -2.51 0.00 0.00 175.55 172.84 2j8r n GLY 72 N -0.22 2.19 3.74 5.49 0.00 -0.44 -4.71 105.19 111.23 2j8r n GLY 72 Ca -0.11 -1.13 -0.38 0.00 0.00 0.00 0.00 46.02 44.41 2j8r n GLY 72 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2j8r n ASP 73 N -1.31 2.48 -0.12 1.61 8.00 -1.26 -0.37 116.55 125.58 2j8r n ASP 73 Ca -0.01 0.94 -0.26 0.00 0.71 0.00 0.00 54.79 56.17 2j8r n ASP 73 Cb 0.05 -1.57 -0.11 0.00 -0.02 0.00 0.00 41.12 39.48 2j8r n ASP 73 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 2j8r n TRP 74 N -1.27 0.42 -4.22 1.24 -0.00 -1.25 -4.37 117.44 107.98 2j8r n TRP 74 Ca 0.12 0.17 -0.17 0.00 -0.00 0.00 0.00 57.50 57.63 2j8r n TRP 74 Cb 0.45 -1.04 -0.14 0.00 -0.00 0.00 0.00 31.31 30.58 2j8r n TRP 74 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 2j8r s ARG 75 N -2.46 0.60 -0.50 5.87 0.52 -1.26 -4.98 118.95 116.75 2j8r s ARG 75 Ca -0.35 -0.41 -0.05 0.00 -0.52 0.00 0.00 55.73 54.40 2j8r s ARG 75 Cb 0.11 -0.54 -0.13 0.00 0.52 0.00 0.00 34.95 34.91 2j8r s ARG 75 CO 0.54 0.14 2.56 -0.35 0.02 0.00 0.00 175.30 178.21 2j8r n PRO 76 N 2.49 1.92 -3.88 3.54 -0.04 -1.26 -4.75 135.00 133.03 2j8r n PRO 76 Ca -0.16 -1.13 -0.11 0.00 -0.04 0.00 0.00 63.50 62.06 2j8r n PRO 76 Cb 0.57 -2.16 -0.12 0.00 -0.04 0.00 0.00 33.50 31.75 2j8r n PRO 76 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2j8r s PHE 77 N 2.21 0.01 0.33 0.54 0.40 -1.26 -5.05 117.98 115.17 2j8r s PHE 77 Ca 0.48 -0.01 0.08 0.00 -0.60 0.00 0.00 56.93 56.88 2j8r s PHE 77 Cb 0.18 -0.03 0.79 0.00 0.51 0.00 0.00 43.02 44.47 2j8r s PHE 77 CO -0.02 -0.14 1.82 0.93 0.70 0.00 0.00 175.22 178.51 2j8r h GLU 78 N 5.25 0.70 0.00 0.44 5.08 -2.04 -1.86 114.58 122.15 2j8r h GLU 78 Ca -0.28 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2j8r h GLU 78 Cb 1.20 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2j8r h GLU 78 CO 0.43 0.46 0.00 0.78 -1.00 0.00 0.00 179.01 179.68 2j8r h GLY 79 N 0.72 0.00 -2.93 -3.84 0.00 -1.96 -2.40 103.07 92.66 2j8r h GLY 79 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 2j8r h GLY 79 CO -0.28 0.00 0.00 0.69 0.00 0.00 0.00 176.54 176.95 2j8r n PHE 80 N -2.44 1.29 0.19 5.60 3.01 -0.70 -4.56 117.46 119.86 2j8r n PHE 80 Ca -0.02 -0.55 0.10 0.00 1.01 0.00 0.00 57.45 57.99 2j8r n PHE 80 Cb 0.05 -0.15 0.51 0.00 -0.01 0.00 0.00 39.48 39.88 2j8r n PHE 80 CO 0.00 0.00 0.00 2.89 1.01 0.00 0.00 176.76 180.66 2j8r n ARG 81 N 1.34 0.13 -0.09 -1.08 1.85 -0.90 -0.71 116.66 117.20 2j8r n ARG 81 Ca 0.25 0.58 0.12 0.00 -1.00 0.00 0.00 57.85 57.80 2j8r n ARG 81 Cb 0.78 -1.89 0.28 0.00 -1.05 0.00 0.00 32.46 30.58 2j8r n ARG 81 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2j8r n GLY 82 N -1.08 0.91 3.21 2.89 0.00 -1.26 -4.87 105.19 104.99 2j8r n GLY 82 Ca -0.01 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 2j8r n GLY 82 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2j8r s THR 83 N -1.76 1.94 0.13 2.61 2.01 0.11 -0.27 115.64 120.40 2j8r s THR 83 Ca 0.34 -0.97 0.08 0.00 0.31 0.00 0.00 61.69 61.46 2j8r s THR 83 Cb 0.20 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 2j8r s THR 83 CO 0.30 0.54 -0.18 0.68 -0.69 0.00 0.00 174.62 175.26 2j8r s VAL 84 N 0.22 1.65 -0.16 3.82 -7.23 -0.56 -3.86 120.40 114.28 2j8r s VAL 84 Ca -0.14 -1.70 -0.04 0.00 -1.81 0.00 0.00 61.98 58.29 2j8r s VAL 84 Cb -0.16 -1.63 -0.03 0.00 0.56 0.00 0.00 36.38 35.12 2j8r s VAL 84 CO 0.07 -0.23 -0.03 -0.70 -0.31 0.00 0.00 175.10 173.90 2j8r s GLU 85 N -2.37 3.69 0.36 4.82 2.12 0.51 -0.54 118.70 127.29 2j8r s GLU 85 Ca 0.10 -0.51 0.07 0.00 0.36 0.00 0.00 54.97 54.99 2j8r s GLU 85 Cb -0.07 -2.93 -0.02 0.00 0.26 0.00 0.00 34.13 31.36 2j8r s GLU 85 CO 0.05 0.24 0.34 -3.38 -0.54 0.00 0.00 175.26 171.98 2j8r s HIS 86 N 0.37 2.86 0.00 5.30 -3.43 -0.68 -1.33 115.29 118.38 2j8r s HIS 86 Ca -0.04 -0.35 0.01 0.00 -0.80 0.00 0.00 55.06 53.88 2j8r s HIS 86 Cb -0.14 -1.95 -0.01 0.00 -1.43 0.00 0.00 32.58 29.06 2j8r s HIS 86 CO 0.03 0.05 -0.04 -1.12 -2.00 0.00 0.00 174.74 171.66 2j8r s SER 87 N -4.07 0.45 -0.05 7.38 0.01 0.17 -4.61 113.70 112.98 2j8r s SER 87 Ca 0.44 -0.14 -0.02 0.00 1.31 0.00 0.00 55.95 57.54 2j8r s SER 87 Cb -0.06 -0.03 0.03 0.00 0.21 0.00 0.00 66.02 66.18 2j8r s SER 87 CO 0.28 -0.00 0.09 -0.69 0.41 0.00 0.00 173.24 173.32 2j8r s VAL 88 N -0.30 -0.11 -0.09 3.43 1.01 -1.26 -1.62 120.40 121.45 2j8r s VAL 88 Ca -0.01 0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.29 2j8r s VAL 88 Cb -0.03 -0.17 0.02 0.00 0.00 0.00 0.00 36.38 36.20 2j8r s VAL 88 CO -0.00 0.13 -0.10 -0.31 0.00 0.00 0.00 175.10 174.82 2j8r s TYR 89 N 1.69 1.52 -0.09 5.22 1.51 0.21 -5.01 117.35 122.40 2j8r s TYR 89 Ca -0.02 -0.68 -0.01 0.00 -1.01 0.00 0.00 57.07 55.35 2j8r s TYR 89 Cb -0.12 -1.18 -0.03 0.00 -0.11 0.00 0.00 41.96 40.51 2j8r s TYR 89 CO -0.04 -0.42 -0.03 0.08 -1.11 0.00 0.00 175.55 174.03 2j8r s VAL 90 N 1.23 4.02 0.42 0.71 1.01 -1.26 -0.40 120.40 126.13 2j8r s VAL 90 Ca -0.04 -0.35 -0.26 0.00 0.00 0.00 0.00 61.98 61.33 2j8r s VAL 90 Cb -0.14 -2.68 -0.10 0.00 0.00 0.00 0.00 36.38 33.46 2j8r s VAL 90 CO -0.03 0.59 1.40 -1.14 0.00 0.00 0.00 175.10 175.91 2j8r n ARG 91 N 2.36 2.27 0.29 2.72 0.63 0.90 -4.86 116.66 120.97 2j8r n ARG 91 Ca -0.18 0.80 0.19 0.00 -0.92 0.00 0.00 57.85 57.75 2j8r n ARG 91 Cb 0.53 -2.55 1.03 0.00 0.45 0.00 0.00 32.46 31.91 2j8r n ARG 91 CO 0.00 0.00 0.00 0.38 -2.51 0.00 0.00 177.63 175.50 2j8r h ASP 92 N 2.43 0.00 -0.01 6.15 3.04 -1.97 -0.80 116.42 125.26 2j8r h ASP 92 Ca -0.50 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.29 2j8r h ASP 92 Cb 1.27 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.56 2j8r h ASP 92 CO 0.62 0.00 -0.07 -0.90 -2.04 0.00 0.00 179.24 176.85 2j8r n ASP 93 N -2.84 2.39 -1.04 4.15 5.75 -1.26 -4.26 116.55 119.43 2j8r n ASP 93 Ca -0.03 -1.76 0.08 0.00 -0.01 0.00 0.00 54.79 53.08 2j8r n ASP 93 Cb 0.09 0.06 0.28 0.00 -1.03 0.00 0.00 41.12 40.51 2j8r n ASP 93 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2j8r n GLN 94 N 0.78 3.12 -2.17 0.11 1.13 -0.31 -5.02 117.38 115.03 2j8r n GLN 94 Ca 0.15 -2.90 -0.32 0.00 -1.94 0.00 0.00 57.00 51.98 2j8r n GLN 94 Cb 0.51 -1.90 -0.01 0.00 0.11 0.00 0.00 30.24 28.95 2j8r n GLN 94 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2j8r s ARG 95 N -2.85 3.61 -0.01 -1.09 0.52 -1.25 -3.53 118.95 114.35 2j8r s ARG 95 Ca 0.44 1.04 0.00 0.00 -0.52 0.00 0.00 55.73 56.69 2j8r s ARG 95 Cb 0.36 -2.08 0.00 0.00 0.52 0.00 0.00 34.95 33.74 2j8r s ARG 95 CO 0.09 -0.56 0.00 0.41 0.02 0.00 0.00 175.30 175.27 2j8r n GLY 96 N -1.44 0.46 0.57 -3.53 0.00 -1.26 -4.88 105.19 95.12 2j8r n GLY 96 Ca 0.07 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.10 2j8r n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2j8r n LYS 97 N -2.71 2.52 -1.51 1.61 5.02 -1.23 -4.98 118.16 116.88 2j8r n LYS 97 Ca -0.00 -2.54 -0.18 0.00 -2.02 0.00 0.00 58.31 53.58 2j8r n LYS 97 Cb 0.04 -1.60 -0.08 0.00 -0.02 0.00 0.00 35.03 33.38 2j8r n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2j8r n GLY 98 N -0.57 1.72 0.16 0.72 0.00 -1.26 -4.89 105.19 101.08 2j8r n GLY 98 Ca 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 2j8r n GLY 98 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2j8r h LEU 99 N 0.00 0.07 -0.34 0.99 3.38 -1.94 -2.27 115.31 115.20 2j8r h LEU 99 Ca -0.36 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.53 2j8r h LEU 99 Cb 1.18 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2j8r h LEU 99 CO 0.53 0.58 0.03 1.23 0.09 0.00 0.00 178.44 180.89 2j8r h GLY 100 N 1.50 0.63 0.97 0.83 0.00 -1.93 -0.74 103.07 104.34 2j8r h GLY 100 Ca -0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 2j8r h GLY 100 CO 0.07 0.41 0.19 -2.08 0.00 0.00 0.00 176.54 175.13 2j8r h VAL 101 N 0.41 1.22 -0.17 4.60 2.07 -1.95 -0.59 116.25 121.83 2j8r h VAL 101 Ca 0.10 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 66.93 2j8r h VAL 101 Cb 0.40 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2j8r h VAL 101 CO 0.01 0.26 0.08 -0.61 0.02 0.00 0.00 177.57 177.33 2j8r h GLN 102 N 0.67 0.17 -0.34 1.57 4.15 -1.25 -0.21 115.11 119.87 2j8r h GLN 102 Ca 0.17 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.54 2j8r h GLN 102 Cb 0.22 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 2j8r h GLN 102 CO -0.01 0.11 0.08 -0.07 -1.93 0.00 0.00 178.83 177.01 2j8r h LEU 103 N 0.17 0.52 -0.57 -2.39 3.38 -0.99 -2.46 115.31 112.97 2j8r h LEU 103 Ca 0.07 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 2j8r h LEU 103 Cb 0.02 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2j8r h LEU 103 CO -0.06 0.62 0.10 0.25 0.09 0.00 0.00 178.44 179.45 2j8r h LEU 104 N 0.40 0.90 -0.91 1.67 5.85 -0.95 -0.45 115.31 121.83 2j8r h LEU 104 Ca 0.11 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 2j8r h LEU 104 Cb 0.30 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 2j8r h LEU 104 CO 0.00 0.92 0.50 1.56 -0.34 0.00 0.00 178.44 181.09 2j8r h GLN 105 N 0.84 1.26 -0.51 1.25 4.20 -1.00 0.14 115.11 121.28 2j8r h GLN 105 Ca 0.18 -0.14 -0.13 0.00 0.06 0.00 0.00 58.65 58.62 2j8r h GLN 105 Cb 0.40 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2j8r h GLN 105 CO 0.01 0.91 -0.18 0.00 -0.67 0.00 0.00 178.83 178.91 2j8r h ALA 106 N 1.28 0.71 -0.67 3.87 0.00 -1.18 -2.62 119.26 120.65 2j8r h ALA 106 Ca 0.32 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2j8r h ALA 106 Cb 0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2j8r h ALA 106 CO -0.05 0.68 0.11 1.25 0.00 0.00 0.00 179.25 181.23 2j8r h LEU 107 N 0.89 1.06 -0.71 0.00 5.85 -0.56 -2.31 115.31 119.53 2j8r h LEU 107 Ca 0.12 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 2j8r h LEU 107 Cb 0.76 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 2j8r h LEU 107 CO 0.06 1.05 0.41 0.40 -0.34 0.00 0.00 178.44 180.02 2j8r h ILE 108 N 1.04 1.21 -0.57 4.05 2.04 -0.85 -0.69 117.51 123.73 2j8r h ILE 108 Ca 0.20 -0.49 -0.07 0.00 1.00 0.00 0.00 64.86 65.51 2j8r h ILE 108 Cb 0.44 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2j8r h ILE 108 CO 0.01 0.22 0.09 -0.33 0.00 0.00 0.00 178.15 178.15 2j8r h GLU 109 N 0.97 0.91 -0.37 2.37 5.08 -1.24 -0.88 114.58 121.42 2j8r h GLU 109 Ca 0.25 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 2j8r h GLU 109 Cb -0.00 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2j8r h GLU 109 CO -0.04 0.85 -0.05 0.00 -1.00 0.00 0.00 179.01 178.77 2j8r h ARG 110 N 0.87 0.68 -0.69 2.33 2.47 -0.97 -1.48 114.38 117.58 2j8r h ARG 110 Ca 0.18 -0.24 -0.02 0.00 -1.26 0.00 0.00 59.98 58.64 2j8r h ARG 110 Cb 0.38 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.62 2j8r h ARG 110 CO 0.01 0.81 0.35 0.00 0.56 0.00 0.00 179.97 181.70 2j8r h ALA 111 N 0.84 0.89 -0.62 0.04 0.00 -0.88 -1.16 119.26 118.37 2j8r h ALA 111 Ca 0.10 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2j8r h ALA 111 Cb 0.54 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2j8r h ALA 111 CO 0.03 0.44 0.01 -0.09 0.00 0.00 0.00 179.25 179.63 2j8r h ARG 112 N 0.96 1.08 0.00 0.00 2.43 -1.07 -2.33 114.38 115.45 2j8r h ARG 112 Ca 0.24 -0.34 -0.06 0.00 -0.81 0.00 0.00 59.98 59.01 2j8r h ARG 112 Cb 0.09 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2j8r h ARG 112 CO -0.03 1.05 -0.29 0.00 -1.51 0.00 0.00 179.97 179.19 2j8r h ALA 113 N 1.00 1.22 0.00 2.80 0.00 -0.90 -2.21 119.26 121.18 2j8r h ALA 113 Ca 0.18 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2j8r h ALA 113 Cb 0.55 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2j8r h ALA 113 CO 0.03 0.36 0.00 0.94 0.00 0.00 0.00 179.25 180.58 2j8r n GLN 114 N -3.76 0.41 -0.71 0.00 7.27 -0.47 -4.90 117.38 115.22 2j8r n GLN 114 Ca -0.01 0.01 0.00 0.00 0.07 0.00 0.00 57.00 57.06 2j8r n GLN 114 Cb 0.39 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.54 2j8r n GLN 114 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2j8r n GLY 115 N 1.24 0.59 3.82 1.69 0.00 -0.83 -5.06 105.19 106.64 2j8r n GLY 115 Ca 0.14 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 2j8r n GLY 115 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2j8r s LEU 116 N 0.00 3.40 -0.22 0.99 1.43 -0.91 -5.02 118.68 118.36 2j8r s LEU 116 Ca 0.00 1.70 0.06 0.00 -1.03 0.00 0.00 54.13 54.86 2j8r s LEU 116 Cb 0.00 -4.51 -0.17 0.00 0.03 0.00 0.00 46.19 41.53 2j8r s LEU 116 CO 0.00 -1.14 -0.12 1.57 0.23 0.00 0.00 176.35 176.89 2j8r n HIS 117 N -2.32 0.00 -3.84 0.29 -0.00 0.63 -4.62 115.22 105.35 2j8r n HIS 117 Ca 0.08 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.68 2j8r n HIS 117 Cb 0.53 -0.89 -0.13 0.00 -0.00 0.00 0.00 29.99 29.50 2j8r n HIS 117 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2j8r s VAL 118 N -2.46 0.00 -0.14 3.57 1.01 -0.50 -0.06 120.40 121.83 2j8r s VAL 118 Ca -0.24 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 2j8r s VAL 118 Cb 0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 36.38 36.30 2j8r s VAL 118 CO 0.60 -0.01 -0.11 -0.04 0.00 0.00 0.00 175.10 175.53 2j8r s MET 119 N -0.00 3.43 -0.01 2.72 1.00 -0.58 -1.50 119.30 124.37 2j8r s MET 119 Ca -0.00 -0.66 0.05 0.00 0.00 0.00 0.00 55.69 55.08 2j8r s MET 119 Cb -0.01 -2.68 -0.03 0.00 0.00 0.00 0.00 34.83 32.11 2j8r s MET 119 CO 0.00 0.21 -0.15 0.14 0.00 0.00 0.00 175.02 175.22 2j8r s VAL 120 N 0.37 3.00 -0.06 -6.03 -7.23 0.29 -1.31 120.40 109.43 2j8r s VAL 120 Ca -0.10 -0.92 0.04 0.00 -1.81 0.00 0.00 61.98 59.19 2j8r s VAL 120 Cb -0.16 -2.22 -0.02 0.00 0.56 0.00 0.00 36.38 34.54 2j8r s VAL 120 CO 0.05 0.47 -0.17 0.00 -0.31 0.00 0.00 175.10 175.13 2j8r s ALA 121 N -0.84 2.51 -0.34 1.32 0.00 0.36 -1.69 121.76 123.07 2j8r s ALA 121 Ca 0.13 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.10 2j8r s ALA 121 Cb -0.11 -0.90 0.09 0.00 0.00 0.00 0.00 23.12 22.20 2j8r s ALA 121 CO 0.03 0.48 0.07 0.00 0.00 0.00 0.00 175.76 176.34 2j8r s ALA 122 N -0.46 2.92 -0.05 0.00 0.00 -1.26 -1.58 121.76 121.32 2j8r s ALA 122 Ca 0.06 -2.27 0.06 0.00 0.00 0.00 0.00 51.96 49.81 2j8r s ALA 122 Cb -0.12 -2.05 -0.02 0.00 0.00 0.00 0.00 23.12 20.93 2j8r s ALA 122 CO 0.02 -1.57 -0.22 0.42 0.00 0.00 0.00 175.76 174.40 2j8r s ILE 123 N 1.08 2.32 0.10 0.00 1.01 -0.07 -4.96 121.20 120.68 2j8r s ILE 123 Ca 0.04 -0.98 -0.31 0.00 0.00 0.00 0.00 60.65 59.40 2j8r s ILE 123 Cb -0.20 -1.86 -0.09 0.00 0.01 0.00 0.00 42.46 40.32 2j8r s ILE 123 CO -0.05 0.57 1.65 -0.70 0.00 0.00 0.00 174.94 176.42 2j8r s GLU 124 N -0.36 4.19 0.56 2.79 -6.30 -1.26 0.04 118.70 118.36 2j8r s GLU 124 Ca 0.03 2.37 0.34 0.00 -2.50 0.00 0.00 54.97 55.21 2j8r s GLU 124 Cb -0.12 -3.48 1.47 0.00 0.00 0.00 0.00 34.13 32.01 2j8r s GLU 124 CO 0.02 -0.71 1.78 0.77 0.02 0.00 0.00 175.26 177.13 2j8r h SER 125 N 7.94 0.00 0.44 -1.70 0.02 -1.57 -0.20 113.55 118.49 2j8r h SER 125 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2j8r h SER 125 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2j8r h SER 125 CO 0.93 0.00 -0.05 0.61 -1.14 0.00 0.00 176.83 177.18 2j8r n GLY 126 N -1.70 -1.12 3.09 -3.77 0.00 -1.26 -4.51 105.19 95.91 2j8r n GLY 126 Ca 0.21 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 2j8r n GLY 126 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2j8r n ASN 127 N -1.12 4.45 -0.30 1.61 2.85 -0.09 -4.77 115.26 117.88 2j8r n ASN 127 Ca 0.15 -2.90 0.03 0.00 -0.11 0.00 0.00 54.58 51.75 2j8r n ASN 127 Cb 0.25 -1.67 0.17 0.00 1.24 0.00 0.00 39.78 39.77 2j8r n ASN 127 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2j8r h ALA 128 N 6.60 1.21 -0.17 5.20 0.00 -1.86 -2.03 119.26 128.22 2j8r h ALA 128 Ca 0.50 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.46 2j8r h ALA 128 Cb 0.73 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2j8r h ALA 128 CO 1.67 0.13 -0.00 0.00 0.00 0.00 0.00 179.25 181.05 2j8r h ALA 129 N 1.46 0.14 -0.51 0.00 0.00 -1.98 -0.16 119.26 118.20 2j8r h ALA 129 Ca 0.41 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.31 2j8r h ALA 129 Cb 0.36 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2j8r h ALA 129 CO -0.24 -0.44 0.10 1.03 0.00 0.00 0.00 179.25 179.69 2j8r h SER 130 N 0.05 0.80 -0.70 0.00 0.87 -1.89 -1.35 113.55 111.34 2j8r h SER 130 Ca 0.08 -0.25 -0.03 0.00 -1.23 0.00 0.00 61.79 60.36 2j8r h SER 130 Cb 0.10 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 2j8r h SER 130 CO -0.13 0.85 0.33 0.40 -0.53 0.00 0.00 176.83 177.75 2j8r h ILE 131 N 0.72 1.23 -0.69 2.23 2.04 -1.16 -1.53 117.51 120.35 2j8r h ILE 131 Ca 0.16 -0.66 -0.06 0.00 1.00 0.00 0.00 64.86 65.29 2j8r h ILE 131 Cb 0.38 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 2j8r h ILE 131 CO 0.01 0.27 0.18 1.23 0.00 0.00 0.00 178.15 179.84 2j8r h GLY 132 N 0.98 1.18 0.98 5.37 0.00 -0.82 -0.51 103.07 110.24 2j8r h GLY 132 Ca 0.24 -0.72 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 2j8r h GLY 132 CO -0.03 0.67 0.26 -2.00 0.00 0.00 0.00 176.54 175.44 2j8r h LEU 133 N 1.05 0.60 -0.62 3.11 6.46 -0.86 -1.52 115.31 123.52 2j8r h LEU 133 Ca 0.22 -0.09 -0.11 0.00 -0.12 0.00 0.00 57.88 57.78 2j8r h LEU 133 Cb 0.35 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.11 2j8r h LEU 133 CO -0.00 0.52 -0.11 0.45 -0.62 0.00 0.00 178.44 178.68 2j8r h HIS 134 N 0.63 1.08 -0.86 1.25 3.86 -1.04 -2.70 115.15 117.37 2j8r h HIS 134 Ca 0.17 -0.22 0.02 0.00 -1.16 0.00 0.00 60.37 59.18 2j8r h HIS 134 Cb 0.06 -0.27 -0.05 0.00 1.06 0.00 0.00 27.41 28.21 2j8r h HIS 134 CO -0.02 1.01 0.56 0.00 0.86 0.00 0.00 177.93 180.34 2j8r h ARG 135 N 0.86 1.08 0.00 2.45 2.47 -0.78 -0.46 114.38 120.00 2j8r h ARG 135 Ca 0.14 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.78 2j8r h ARG 135 Cb 0.66 -0.24 -0.00 0.00 -1.65 0.00 0.00 29.97 28.74 2j8r h ARG 135 CO 0.05 0.71 -0.06 0.00 0.56 0.00 0.00 179.97 181.23 2j8r h ARG 136 N 1.11 0.00 -0.64 0.04 3.08 -1.04 -2.30 114.38 114.63 2j8r h ARG 136 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 2j8r h ARG 136 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 2j8r h ARG 136 CO -0.10 0.06 0.00 1.28 -1.07 0.00 0.00 179.97 180.14 2j8r n LEU 137 N -3.28 4.23 0.00 3.04 4.77 -0.34 -4.92 117.00 120.50 2j8r n LEU 137 Ca -0.01 -2.13 0.00 0.00 -0.03 0.00 0.00 56.01 53.84 2j8r n LEU 137 Cb 0.25 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 2j8r n LEU 137 CO 0.27 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 2j8r n GLY 138 N 1.06 0.73 3.76 -0.72 0.00 -0.86 -5.06 105.19 104.11 2j8r n GLY 138 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 2j8r n GLY 138 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2j8r s PHE 139 N -2.68 3.48 0.15 1.61 0.08 -0.33 -4.77 117.98 115.51 2j8r s PHE 139 Ca 0.00 1.67 0.09 0.00 0.12 0.00 0.00 56.93 58.81 2j8r s PHE 139 Cb 0.00 -3.30 -0.04 0.00 -0.57 0.00 0.00 43.02 39.11 2j8r s PHE 139 CO 0.00 -0.69 -0.16 -1.21 -0.10 0.00 0.00 175.22 173.06 2j8r s GLU 140 N -1.63 1.85 0.04 0.44 2.02 -0.30 -4.11 118.70 117.01 2j8r s GLU 140 Ca 0.47 -1.25 -0.31 0.00 0.02 0.00 0.00 54.97 53.90 2j8r s GLU 140 Cb -0.31 -2.10 -0.06 0.00 0.10 0.00 0.00 34.13 31.76 2j8r s GLU 140 CO 0.40 0.46 1.35 0.42 0.02 0.00 0.00 175.26 177.90 2j8r s ILE 141 N -1.40 3.69 0.00 -1.63 -1.09 -1.26 -0.62 121.20 118.89 2j8r s ILE 141 Ca 0.21 1.15 0.00 0.00 -2.23 0.00 0.00 60.65 59.78 2j8r s ILE 141 Cb -0.10 -3.74 0.00 0.00 -1.58 0.00 0.00 42.46 37.04 2j8r s ILE 141 CO 0.12 0.04 0.39 -1.54 -1.23 0.00 0.00 174.94 172.72 2j8r n SER 142 N 4.68 0.62 -3.63 3.58 3.41 0.31 -4.91 113.62 117.67 2j8r n SER 142 Ca 0.12 -1.14 -0.12 0.00 -0.26 0.00 0.00 58.87 57.46 2j8r n SER 142 Cb 0.44 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.32 2j8r n SER 142 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2j8r s GLY 143 N -0.14 -0.49 -0.31 5.00 0.00 -0.94 -4.89 107.32 105.55 2j8r s GLY 143 Ca 0.00 2.20 -0.01 0.00 0.00 0.00 0.00 44.72 46.91 2j8r s GLY 143 CO 0.00 1.87 0.23 1.20 0.00 0.00 0.00 173.10 176.40 2j8r s GLN 144 N 0.56 0.35 -0.33 2.90 -0.21 -1.26 -0.58 119.66 121.09 2j8r s GLN 144 Ca -0.01 -0.59 -0.04 0.00 0.02 0.00 0.00 55.36 54.74 2j8r s GLN 144 Cb -0.05 -0.97 0.05 0.00 1.00 0.00 0.00 33.01 33.04 2j8r s GLN 144 CO -0.03 -1.08 0.07 -1.64 -2.12 0.00 0.00 175.29 170.49 2j8r s MET 145 N 1.91 2.48 0.14 2.91 -1.94 0.56 -4.98 119.30 120.38 2j8r s MET 145 Ca 0.12 -1.28 -0.30 0.00 -1.71 0.00 0.00 55.69 52.51 2j8r s MET 145 Cb -0.16 -3.35 -0.07 0.00 2.01 0.00 0.00 34.83 33.25 2j8r s MET 145 CO -0.25 -0.69 1.22 -1.25 -0.01 0.00 0.00 175.02 174.04 2j8r s PRO 146 N 1.31 4.46 -1.27 2.03 0.04 -1.26 -1.28 135.00 139.03 2j8r s PRO 146 Ca -0.02 1.86 -0.04 0.00 0.04 0.00 0.00 61.00 62.84 2j8r s PRO 146 Cb -0.20 -3.27 0.02 0.00 0.04 0.00 0.00 34.50 31.09 2j8r s PRO 146 CO 0.00 -0.17 0.26 1.04 0.04 0.00 0.00 177.00 178.17 2j8r n GLN 147 N 3.10 -3.02 0.00 4.56 6.02 -1.14 -4.86 117.38 122.04 2j8r n GLN 147 Ca 0.06 0.64 0.14 0.00 -0.01 0.00 0.00 57.00 57.83 2j8r n GLN 147 Cb 0.45 -5.33 0.54 0.00 1.02 0.00 0.00 30.24 26.92 2j8r n GLN 147 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2j8r n VAL 148 N -3.81 0.00 -4.36 5.09 0.24 -1.06 -4.78 118.33 109.66 2j8r n VAL 148 Ca -0.11 -0.02 -0.21 0.00 -2.04 0.00 0.00 64.34 61.97 2j8r n VAL 148 Cb 0.60 -0.20 -0.08 0.00 -1.47 0.00 0.00 33.84 32.68 2j8r n VAL 148 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2j8r s GLY 149 N -2.81 2.32 -0.01 7.63 0.00 -0.99 -5.01 107.32 108.45 2j8r s GLY 149 Ca 0.19 -1.74 -0.24 0.00 0.00 0.00 0.00 44.72 42.93 2j8r s GLY 149 CO 0.55 -1.60 0.52 -0.86 0.00 0.00 0.00 173.10 171.71 2j8r s GLN 150 N -3.64 0.93 -0.20 2.90 -2.07 -1.26 0.02 119.66 116.35 2j8r s GLN 150 Ca 0.35 -0.02 -0.29 0.00 -1.82 0.00 0.00 55.36 53.57 2j8r s GLN 150 Cb 0.03 0.43 0.14 0.00 -1.09 0.00 0.00 33.01 32.52 2j8r s GLN 150 CO 0.21 -0.30 1.07 0.21 -1.32 0.00 0.00 175.29 175.17 2j8r s LYS 151 N -1.60 0.48 -1.88 9.60 2.20 -0.77 -4.91 119.74 122.85 2j8r s LYS 151 Ca -0.10 0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.68 2j8r s LYS 151 Cb -0.02 0.23 0.00 0.00 -1.51 0.00 0.00 37.83 36.53 2j8r s LYS 151 CO 0.05 -0.14 0.00 1.19 -0.36 0.00 0.00 175.35 176.09 2j8r n PHE 152 N 0.88 -0.60 -1.08 4.03 3.72 -1.26 -1.80 117.46 121.36 2j8r n PHE 152 Ca -0.09 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.28 2j8r n PHE 152 Cb 0.58 -3.61 -0.01 0.00 -0.94 0.00 0.00 39.48 35.50 2j8r n PHE 152 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2j8r n GLY 153 N -0.70 0.60 3.14 1.37 0.00 -1.26 -5.04 105.19 103.30 2j8r n GLY 153 Ca -0.22 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 2j8r n GLY 153 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2j8r s ARG 154 N -1.82 0.74 0.46 1.61 1.70 -0.74 -5.14 118.95 115.76 2j8r s ARG 154 Ca 0.00 -1.10 -0.22 0.00 -0.47 0.00 0.00 55.73 53.94 2j8r s ARG 154 Cb 0.00 -0.33 -0.08 0.00 -0.57 0.00 0.00 34.95 33.97 2j8r s ARG 154 CO 0.00 0.03 1.08 -1.58 -1.08 0.00 0.00 175.30 173.75 2j8r s TRP 155 N -2.59 3.02 0.07 5.89 0.23 -1.26 -1.86 118.94 122.45 2j8r s TRP 155 Ca 0.03 1.59 0.07 0.00 -2.03 0.00 0.00 56.10 55.76 2j8r s TRP 155 Cb -0.02 -3.18 -0.03 0.00 0.03 0.00 0.00 33.47 30.27 2j8r s TRP 155 CO -0.02 -1.00 -0.19 -0.51 0.96 0.00 0.00 176.95 176.20 2j8r s LEU 156 N -3.14 2.24 -0.02 2.99 1.43 0.10 -4.89 118.68 117.39 2j8r s LEU 156 Ca 0.64 -0.59 -0.02 0.00 -1.03 0.00 0.00 54.13 53.13 2j8r s LEU 156 Cb -0.22 -0.81 -0.04 0.00 0.03 0.00 0.00 46.19 45.16 2j8r s LEU 156 CO 0.26 0.06 0.12 -1.81 0.23 0.00 0.00 176.35 175.22 2j8r s ASP 157 N -1.55 6.00 -0.08 2.29 -0.00 -1.26 -2.36 116.67 119.72 2j8r s ASP 157 Ca 0.05 0.26 0.02 0.00 -0.00 0.00 0.00 52.55 52.88 2j8r s ASP 157 Cb -0.09 -1.81 -0.02 0.00 -0.00 0.00 0.00 42.92 40.99 2j8r s ASP 157 CO 0.03 0.29 -0.15 -0.22 -0.00 0.00 0.00 175.17 175.12 2j8r s LEU 158 N -1.69 2.68 -0.14 1.23 2.96 -0.40 -1.48 118.68 121.85 2j8r s LEU 158 Ca 0.23 -0.27 0.00 0.00 -0.22 0.00 0.00 54.13 53.88 2j8r s LEU 158 Cb -0.12 -1.56 -0.01 0.00 0.50 0.00 0.00 46.19 45.00 2j8r s LEU 158 CO 0.14 0.27 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.40 2j8r s THR 159 N -0.29 2.79 -0.13 3.68 2.01 0.11 -0.33 115.64 123.48 2j8r s THR 159 Ca 0.02 -0.74 -0.07 0.00 0.31 0.00 0.00 61.69 61.21 2j8r s THR 159 Cb -0.13 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 2j8r s THR 159 CO 0.03 0.52 0.11 -0.36 -0.69 0.00 0.00 174.62 174.23 2j8r s PHE 160 N 0.52 3.48 0.06 4.92 2.99 0.25 -0.89 117.98 129.31 2j8r s PHE 160 Ca -0.10 0.42 0.04 0.00 0.00 0.00 0.00 56.93 57.29 2j8r s PHE 160 Cb -0.16 -1.95 -0.03 0.00 0.00 0.00 0.00 43.02 40.88 2j8r s PHE 160 CO 0.04 0.60 -0.12 -1.64 -0.00 0.00 0.00 175.22 174.11 2j8r s MET 161 N -0.75 0.70 0.04 0.44 -1.94 -0.62 -0.53 119.30 116.65 2j8r s MET 161 Ca 0.13 -0.87 -0.07 0.00 -1.71 0.00 0.00 55.69 53.17 2j8r s MET 161 Cb -0.12 -0.62 -0.00 0.00 2.01 0.00 0.00 34.83 36.10 2j8r s MET 161 CO 0.03 0.13 0.14 1.14 -0.01 0.00 0.00 175.02 176.45 2j8r s GLN 162 N -1.65 0.62 -0.08 2.03 -2.07 0.21 -0.49 119.66 118.22 2j8r s GLN 162 Ca -0.05 -0.68 0.00 0.00 -1.82 0.00 0.00 55.36 52.81 2j8r s GLN 162 Cb -0.10 0.25 0.02 0.00 -1.09 0.00 0.00 33.01 32.09 2j8r s GLN 162 CO 0.02 -0.17 -0.06 -1.17 -1.32 0.00 0.00 175.29 172.59 2j8r s LEU 163 N -2.05 1.14 -0.30 2.60 2.96 -0.43 -1.16 118.68 121.44 2j8r s LEU 163 Ca -0.06 -0.21 -0.26 0.00 -0.22 0.00 0.00 54.13 53.38 2j8r s LEU 163 Cb -0.02 -0.66 0.01 0.00 0.50 0.00 0.00 46.19 46.02 2j8r s LEU 163 CO -0.04 -0.10 0.93 0.21 -1.32 0.00 0.00 176.35 176.04 2j8r s ASN 164 N 1.44 6.82 0.28 3.68 3.84 -1.26 -1.53 114.94 128.21 2j8r s ASN 164 Ca -0.02 0.91 0.26 0.00 0.21 0.00 0.00 52.86 54.22 2j8r s ASN 164 Cb -0.13 -2.48 0.79 0.00 -0.55 0.00 0.00 41.25 38.88 2j8r s ASN 164 CO -0.04 -0.73 1.75 -0.07 -2.79 0.00 0.00 177.10 175.22 2j8r h LEU 165 N 9.71 0.00 -5.26 3.21 3.38 -0.75 -3.38 115.31 122.21 2j8r h LEU 165 Ca -0.22 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.44 2j8r h LEU 165 Cb 1.08 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.62 2j8r h LEU 165 CO 0.96 0.00 -0.65 -0.67 0.09 0.00 0.00 178.44 178.16 2j8r n ASP 166 N -2.46 -2.06 0.11 -0.43 -0.08 -1.25 -4.94 116.55 105.44 2j8r n ASP 166 Ca 0.04 -3.18 0.07 0.00 -1.51 0.00 0.00 54.79 50.22 2j8r n ASP 166 Cb 0.40 1.20 0.39 0.00 2.34 0.00 0.00 41.12 45.45 2j8r n ASP 166 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2j8r n PRO 167 N 1.49 0.09 0.00 -0.67 -0.04 -1.26 -1.66 135.00 132.95 2j8r n PRO 167 Ca 0.12 0.58 0.12 0.00 -0.04 0.00 0.00 63.50 64.28 2j8r n PRO 167 Cb 0.61 -1.80 0.27 0.00 -0.04 0.00 0.00 33.50 32.54 2j8r n PRO 167 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2j8r n THR 168 N -2.00 0.00 -2.68 0.52 -2.24 -1.26 -4.72 114.28 101.91 2j8r n THR 168 Ca -0.01 -0.09 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 2j8r n THR 168 Cb 0.03 0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 68.69 2j8r n THR 168 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2j8r s ARG 169 N -2.71 3.36 0.42 -0.78 3.52 -0.66 -4.88 118.95 117.22 2j8r s ARG 169 Ca 0.18 -0.09 0.11 0.00 -0.13 0.00 0.00 55.73 55.79 2j8r s ARG 169 Cb 0.18 -4.08 0.90 0.00 -1.56 0.00 0.00 34.95 30.40 2j8r s ARG 169 CO 0.61 -1.73 1.99 1.03 -0.81 0.00 0.00 175.30 176.40 2j8r h SER 170 N 9.57 0.22 -5.11 -2.12 0.87 -1.87 -3.45 113.55 111.65 2j8r h SER 170 Ca -0.26 -0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.17 2j8r h SER 170 Cb 1.06 -0.06 -0.16 0.00 -0.44 0.00 0.00 62.40 62.81 2j8r h SER 170 CO 1.17 0.29 -0.41 0.00 -0.53 0.00 0.00 176.83 177.36 2j8r s ALA 171 N -4.94 -0.25 -2.00 6.23 0.00 -1.26 -5.24 121.76 114.31 2j8r s ALA 171 Ca -0.06 -0.48 0.03 0.00 0.00 0.00 0.00 51.96 51.45 2j8r s ALA 171 Cb 0.16 0.36 0.16 0.00 0.00 0.00 0.00 23.12 23.80 2j8r s ALA 171 CO 0.72 -0.42 0.64 -0.35 0.00 0.00 0.00 175.76 176.35