#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xjw n THR 2 N 0.00 0.00 -2.23 2.03 -1.04 -1.26 -4.96 114.28 106.81 1xjw n THR 2 Ca 0.00 0.32 0.00 0.00 -2.04 0.00 0.00 64.05 62.33 1xjw n THR 2 Cb 0.00 -0.74 0.00 0.00 -1.82 0.00 0.00 70.33 67.77 1xjw n THR 2 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1xjw n HIS 3 N 0.00 -0.03 -3.92 -1.42 -0.00 -1.26 -5.18 115.22 103.41 1xjw n HIS 3 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.59 1xjw n HIS 3 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 29.85 1xjw n HIS 3 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1xjw s ASP 4 N 1.71 0.12 0.00 0.41 2.15 -1.26 -5.06 116.67 114.73 1xjw s ASP 4 Ca 0.00 -0.03 0.00 0.00 0.43 0.00 0.00 52.55 52.95 1xjw s ASP 4 Cb 0.00 -0.01 0.00 0.00 -0.30 0.00 0.00 42.92 42.61 1xjw s ASP 4 CO 0.00 0.00 0.00 -3.20 -0.17 0.00 0.00 175.17 171.80 1xjw n ASN 5 N 3.01 0.00 -1.99 -0.34 4.05 -1.26 -5.10 115.26 113.62 1xjw n ASN 5 Ca -0.13 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.90 1xjw n ASN 5 Cb 0.60 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.61 1xjw n ASN 5 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1xjw n LYS 6 N 0.00 -4.10 -0.90 1.20 4.01 -1.26 -4.98 118.16 112.13 1xjw n LYS 6 Ca 0.00 3.07 -0.30 0.00 -0.51 0.00 0.00 58.31 60.57 1xjw n LYS 6 Cb 0.00 -3.71 0.17 0.00 -0.51 0.00 0.00 35.03 30.98 1xjw n LYS 6 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 1xjw s LEU 7 N -0.46 2.11 0.00 -0.35 2.96 -1.26 -5.08 118.68 116.60 1xjw s LEU 7 Ca 0.00 1.72 0.00 0.00 -0.22 0.00 0.00 54.13 55.63 1xjw s LEU 7 Cb 0.00 -4.01 0.00 0.00 0.50 0.00 0.00 46.19 42.68 1xjw s LEU 7 CO 0.00 -3.14 0.00 0.00 -1.32 0.00 0.00 176.35 171.89 1xjw n GLN 8 N -4.23 0.00 -2.24 1.98 0.00 -1.26 -5.16 117.38 106.47 1xjw n GLN 8 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 57.00 56.67 1xjw n GLN 8 Cb 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.75 1xjw n GLN 8 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1xjw s VAL 9 N -0.30 3.00 -0.34 -0.39 1.01 -1.26 -4.98 120.40 117.13 1xjw s VAL 9 Ca 0.00 1.00 -0.07 0.00 0.00 0.00 0.00 61.98 62.91 1xjw s VAL 9 Cb 0.00 -3.64 0.21 0.00 0.00 0.00 0.00 36.38 32.96 1xjw s VAL 9 CO 0.00 0.24 1.09 -0.70 0.00 0.00 0.00 175.10 175.73 1xjw s GLU 10 N -1.63 0.22 -0.16 2.72 2.56 -1.26 -5.16 118.70 115.98 1xjw s GLU 10 Ca 0.47 -0.21 -0.17 0.00 0.00 0.00 0.00 54.97 55.06 1xjw s GLU 10 Cb -0.37 -0.01 0.05 0.00 2.00 0.00 0.00 34.13 35.80 1xjw s GLU 10 CO 0.48 -0.27 0.47 0.00 -0.56 0.00 0.00 175.26 175.39 1xjw s ALA 11 N 1.03 -1.18 0.13 6.30 0.00 -1.26 -4.98 121.76 121.80 1xjw s ALA 11 Ca 0.23 1.28 0.06 0.00 0.00 0.00 0.00 51.96 53.52 1xjw s ALA 11 Cb 0.12 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 1xjw s ALA 11 CO -0.11 -0.23 -0.13 0.96 0.00 0.00 0.00 175.76 176.25 1xjw s ILE 12 N 0.09 1.29 0.00 0.00 -4.36 -1.26 -5.11 121.20 111.85 1xjw s ILE 12 Ca -0.01 -1.78 0.00 0.00 -0.26 0.00 0.00 60.65 58.59 1xjw s ILE 12 Cb -0.03 -1.58 0.00 0.00 1.25 0.00 0.00 42.46 42.09 1xjw s ILE 12 CO 0.01 -0.49 0.10 1.17 0.24 0.00 0.00 174.94 175.97 1xjw n LYS 13 N 0.38 0.00 -4.05 0.37 4.81 -1.26 -3.78 118.16 114.63 1xjw n LYS 13 Ca -0.14 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.07 1xjw n LYS 13 Cb 0.58 -0.56 -0.06 0.00 0.02 0.00 0.00 35.03 35.01 1xjw n LYS 13 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1xjw s ARG 14 N -0.20 2.48 0.00 1.64 0.52 -1.26 0.32 118.95 122.45 1xjw s ARG 14 Ca 0.00 -1.45 0.00 0.00 -0.52 0.00 0.00 55.73 53.76 1xjw s ARG 14 Cb 0.00 -2.26 0.00 0.00 0.52 0.00 0.00 34.95 33.21 1xjw s ARG 14 CO 0.00 0.14 0.00 0.41 0.02 0.00 0.00 175.30 175.87 1xjw n GLY 15 N -1.18 0.87 3.38 -3.53 0.00 0.12 -2.32 105.19 102.53 1xjw n GLY 15 Ca -0.03 -1.98 -0.26 0.00 0.00 0.00 0.00 46.02 43.75 1xjw n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xjw s THR 16 N -1.94 2.15 -0.38 2.61 2.01 -0.63 -1.80 115.64 117.66 1xjw s THR 16 Ca 0.00 -1.86 0.01 0.00 0.31 0.00 0.00 61.69 60.15 1xjw s THR 16 Cb 0.00 -1.96 0.14 0.00 0.01 0.00 0.00 72.50 70.69 1xjw s THR 16 CO 0.00 -0.07 0.23 -0.69 -0.69 0.00 0.00 174.62 173.40 1xjw s VAL 17 N -1.45 0.59 -0.01 3.82 1.01 -0.81 -1.88 120.40 121.67 1xjw s VAL 17 Ca 0.16 -2.04 -0.30 0.00 0.00 0.00 0.00 61.98 59.80 1xjw s VAL 17 Cb -0.09 -1.42 -0.06 0.00 0.00 0.00 0.00 36.38 34.81 1xjw s VAL 17 CO 0.07 -0.97 1.59 -0.63 0.00 0.00 0.00 175.10 175.16 1xjw s ILE 18 N 0.78 3.48 0.09 2.22 1.09 -0.58 -2.50 121.20 125.79 1xjw s ILE 18 Ca 0.18 0.76 0.08 0.00 -1.10 0.00 0.00 60.65 60.57 1xjw s ILE 18 Cb -0.22 -3.49 -0.03 0.00 -1.06 0.00 0.00 42.46 37.66 1xjw s ILE 18 CO -0.00 -0.04 -0.21 -0.62 -0.10 0.00 0.00 174.94 173.97 1xjw s ASP 19 N 2.73 2.58 -0.18 3.58 2.15 0.47 -2.55 116.67 125.45 1xjw s ASP 19 Ca 0.71 -0.65 0.00 0.00 0.43 0.00 0.00 52.55 53.04 1xjw s ASP 19 Cb -0.34 -0.16 0.00 0.00 -0.30 0.00 0.00 42.92 42.12 1xjw s ASP 19 CO 0.29 0.09 0.00 1.41 -0.17 0.00 0.00 175.17 176.79 1xjw n HIS 20 N 1.28 -0.06 -2.20 -5.34 8.25 -1.18 -0.07 115.22 115.89 1xjw n HIS 20 Ca -0.19 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.85 1xjw n HIS 20 Cb 0.53 -1.10 -0.03 0.00 1.12 0.00 0.00 29.99 30.51 1xjw n HIS 20 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1xjw s ILE 21 N -2.09 3.54 1.02 1.59 1.01 -0.77 -4.25 121.20 121.25 1xjw s ILE 21 Ca 0.00 1.03 -0.11 0.00 0.00 0.00 0.00 60.65 61.57 1xjw s ILE 21 Cb 0.00 -3.66 0.20 0.00 0.01 0.00 0.00 42.46 39.02 1xjw s ILE 21 CO 0.00 0.04 1.10 -2.84 0.00 0.00 0.00 174.94 173.24 1xjw s PRO 22 N 1.78 0.19 0.75 2.79 0.02 -1.26 0.12 135.00 139.40 1xjw s PRO 22 Ca 0.64 1.30 -0.15 0.00 0.02 0.00 0.00 61.00 62.81 1xjw s PRO 22 Cb -0.34 -1.65 0.01 0.00 0.02 0.00 0.00 34.50 32.54 1xjw s PRO 22 CO 0.29 -3.12 0.82 0.00 -0.33 0.00 0.00 177.00 174.66 1xjw n ALA 23 N -4.54 -0.79 -2.23 -1.55 0.00 -1.25 -2.56 120.51 107.58 1xjw n ALA 23 Ca 0.08 -0.26 -0.11 0.00 0.00 0.00 0.00 53.44 53.15 1xjw n ALA 23 Cb 0.53 -2.03 -0.01 0.00 0.00 0.00 0.00 19.45 17.93 1xjw n ALA 23 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1xjw n GLN 24 N -1.72 -2.11 -0.02 0.00 -0.06 -1.26 -4.74 117.38 107.46 1xjw n GLN 24 Ca 0.12 0.55 -0.03 0.00 -2.00 0.00 0.00 57.00 55.64 1xjw n GLN 24 Cb 0.50 -5.06 -0.02 0.00 -4.06 0.00 0.00 30.24 21.60 1xjw n GLN 24 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 1xjw n ILE 25 N -2.99 0.22 -0.26 1.69 2.08 -1.06 -4.55 119.36 114.50 1xjw n ILE 25 Ca -0.13 -0.08 0.27 0.00 0.56 0.00 0.00 62.75 63.37 1xjw n ILE 25 Cb 0.55 -0.67 0.64 0.00 -0.75 0.00 0.00 39.64 39.41 1xjw n ILE 25 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1xjw h GLY 26 N 0.29 0.46 0.72 7.39 0.00 -1.86 0.13 103.07 110.21 1xjw h GLY 26 Ca -0.09 -0.09 -0.10 0.00 0.00 0.00 0.00 47.33 47.06 1xjw h GLY 26 CO -0.02 -0.03 -0.32 -2.75 0.00 0.00 0.00 176.54 173.42 1xjw h PHE 27 N 0.17 0.49 0.18 5.60 3.57 -1.94 -2.66 116.94 122.35 1xjw h PHE 27 Ca 0.50 -0.20 -0.00 0.00 3.53 0.00 0.00 57.97 61.80 1xjw h PHE 27 Cb 1.68 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 40.33 1xjw h PHE 27 CO -0.00 0.93 -0.14 0.87 -2.23 0.00 0.00 178.31 177.74 1xjw h LYS 28 N -0.09 -0.32 -0.55 1.11 1.57 -1.05 -1.77 116.57 115.47 1xjw h LYS 28 Ca -0.01 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 1xjw h LYS 28 Cb 0.95 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.30 1xjw h LYS 28 CO 0.07 -0.21 0.37 -0.07 -0.57 0.00 0.00 179.45 179.03 1xjw h LEU 29 N -0.33 0.38 -0.77 2.94 3.38 -1.20 0.20 115.31 119.91 1xjw h LEU 29 Ca -0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1xjw h LEU 29 Cb 0.29 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1xjw h LEU 29 CO -0.01 0.24 -0.02 -0.07 0.09 0.00 0.00 178.44 178.67 1xjw h LEU 30 N 0.43 0.89 0.00 1.67 3.38 -1.02 -3.11 115.31 117.56 1xjw h LEU 30 Ca 0.24 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xjw h LEU 30 Cb 0.40 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1xjw h LEU 30 CO -0.07 0.96 -0.02 0.77 0.09 0.00 0.00 178.44 180.17 1xjw h SER 31 N 0.84 0.00 0.00 -0.43 4.64 -0.28 -2.78 113.55 115.54 1xjw h SER 31 Ca 0.15 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1xjw h SER 31 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1xjw h SER 31 CO 0.03 0.56 0.00 0.18 -0.87 0.00 0.00 176.83 176.73 1xjw n LEU 32 N -4.76 0.00 -0.39 5.97 4.32 0.54 -1.64 117.00 121.04 1xjw n LEU 32 Ca -0.01 0.98 0.00 0.00 -0.02 0.00 0.00 56.01 56.95 1xjw n LEU 32 Cb 0.05 -0.48 0.00 0.00 -1.62 0.00 0.00 43.42 41.38 1xjw n LEU 32 CO 0.03 -0.48 0.21 0.49 -1.22 0.00 0.00 177.39 176.43 1xjw n PHE 33 N -2.57 0.00 -4.04 -1.77 3.72 -1.17 -4.84 117.46 106.79 1xjw n PHE 33 Ca 0.00 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.06 1xjw n PHE 33 Cb 0.00 -0.05 -0.07 0.00 -0.94 0.00 0.00 39.48 38.42 1xjw n PHE 33 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1xjw n LYS 34 N 0.00 -0.79 0.00 -1.08 5.02 -0.65 -4.72 118.16 115.94 1xjw n LYS 34 Ca 0.00 0.11 0.02 0.00 -2.02 0.00 0.00 58.31 56.42 1xjw n LYS 34 Cb 0.13 -3.78 0.11 0.00 -0.02 0.00 0.00 35.03 31.47 1xjw n LYS 34 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1xjw n LEU 35 N -3.56 0.00 -0.01 -0.35 4.77 -1.05 -2.59 117.00 114.20 1xjw n LEU 35 Ca 0.03 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.04 1xjw n LEU 35 Cb 0.41 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.45 1xjw n LEU 35 CO 0.79 0.00 -0.61 1.07 -1.33 0.00 0.00 177.39 177.32 1xjw n THR 36 N -0.59 0.09 -1.73 -5.08 5.66 -1.25 -4.80 114.28 106.58 1xjw n THR 36 Ca 0.03 -0.18 -0.40 0.00 -3.05 0.00 0.00 64.05 60.45 1xjw n THR 36 Cb 0.01 0.10 -0.03 0.00 -1.55 0.00 0.00 70.33 68.86 1xjw n THR 36 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1xjw n GLU 37 N -1.84 2.16 -3.48 1.09 1.02 -1.07 -4.79 120.64 113.74 1xjw n GLU 37 Ca -0.03 -2.41 -0.12 0.00 -0.02 0.00 0.00 57.16 54.58 1xjw n GLU 37 Cb 0.28 -3.28 -0.03 0.00 -0.02 0.00 0.00 31.44 28.40 1xjw n GLU 37 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1xjw s THR 38 N 5.64 0.02 -0.85 2.62 -1.32 -1.26 -5.03 115.64 115.45 1xjw s THR 38 Ca 0.56 -0.15 0.26 0.00 -1.21 0.00 0.00 61.69 61.15 1xjw s THR 38 Cb 0.10 -1.06 0.13 0.00 -1.51 0.00 0.00 72.50 70.16 1xjw s THR 38 CO 0.06 -0.07 1.59 0.47 -2.21 0.00 0.00 174.62 174.46 1xjw n ASP 39 N -0.35 0.49 -4.75 8.08 8.00 -1.26 -4.92 116.55 121.83 1xjw n ASP 39 Ca -0.17 0.21 -0.34 0.00 0.71 0.00 0.00 54.79 55.20 1xjw n ASP 39 Cb 0.65 -0.17 0.06 0.00 -0.02 0.00 0.00 41.12 41.63 1xjw n ASP 39 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1xjw s GLN 40 N -3.07 2.64 -0.07 -1.24 -1.52 -1.26 -4.97 119.66 110.17 1xjw s GLN 40 Ca 0.10 1.61 -0.30 0.00 -1.95 0.00 0.00 55.36 54.82 1xjw s GLN 40 Cb 0.16 -1.91 -0.03 0.00 -0.22 0.00 0.00 33.01 31.00 1xjw s GLN 40 CO 0.64 -1.42 1.30 0.50 -0.25 0.00 0.00 175.29 176.07 1xjw s ARG 41 N -3.84 4.29 0.07 2.91 3.52 -1.26 -4.85 118.95 119.79 1xjw s ARG 41 Ca 0.72 1.78 0.08 0.00 -0.13 0.00 0.00 55.73 58.18 1xjw s ARG 41 Cb -0.25 -3.65 -0.03 0.00 -1.56 0.00 0.00 34.95 29.46 1xjw s ARG 41 CO 0.40 -0.58 -0.22 0.42 -0.81 0.00 0.00 175.30 174.51 1xjw s ILE 42 N 2.76 1.80 -0.33 4.11 1.01 -1.26 -0.81 121.20 128.49 1xjw s ILE 42 Ca 0.59 -1.37 -0.01 0.00 0.00 0.00 0.00 60.65 59.85 1xjw s ILE 42 Cb -0.26 -1.58 0.13 0.00 0.01 0.00 0.00 42.46 40.75 1xjw s ILE 42 CO 0.21 0.14 0.19 0.42 0.00 0.00 0.00 174.94 175.90 1xjw s THR 43 N -0.92 0.08 -0.05 2.92 -4.23 -0.77 -4.98 115.64 107.68 1xjw s THR 43 Ca 0.08 -1.42 -0.27 0.00 -1.18 0.00 0.00 61.69 58.90 1xjw s THR 43 Cb -0.09 -1.08 -0.03 0.00 1.34 0.00 0.00 72.50 72.64 1xjw s THR 43 CO 0.03 -0.91 0.87 -0.63 -0.54 0.00 0.00 174.62 173.44 1xjw s ILE 44 N 1.38 4.93 -0.22 2.99 1.09 -1.26 -3.38 121.20 126.74 1xjw s ILE 44 Ca 0.15 1.80 -0.03 0.00 -1.10 0.00 0.00 60.65 61.46 1xjw s ILE 44 Cb -0.21 -4.20 -0.01 0.00 -1.06 0.00 0.00 42.46 36.98 1xjw s ILE 44 CO -0.11 0.17 -0.05 -0.83 -0.10 0.00 0.00 174.94 174.01 1xjw s GLY 45 N 0.96 1.59 -0.08 6.18 0.00 0.18 -4.98 107.32 111.16 1xjw s GLY 45 Ca 0.45 -1.18 -0.01 0.00 0.00 0.00 0.00 44.72 43.98 1xjw s GLY 45 CO 0.22 0.42 -0.02 1.08 0.00 0.00 0.00 173.10 174.80 1xjw s LEU 46 N 1.46 3.47 0.00 0.66 1.43 -1.26 0.13 118.68 124.57 1xjw s LEU 46 Ca 0.06 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 1xjw s LEU 46 Cb -0.14 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.29 1xjw s LEU 46 CO -0.04 0.37 0.00 0.59 0.23 0.00 0.00 176.35 177.50 1xjw n ASN 47 N 2.16 0.00 -4.68 2.29 4.13 -1.01 -4.94 115.26 113.20 1xjw n ASN 47 Ca -0.18 0.00 -0.59 0.00 1.68 0.00 0.00 54.58 55.48 1xjw n ASN 47 Cb 0.53 -0.50 -0.08 0.00 -1.54 0.00 0.00 39.78 38.20 1xjw n ASN 47 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xjw n LEU 48 N 0.00 1.71 -4.55 3.41 -0.00 -1.19 -4.18 117.00 112.20 1xjw n LEU 48 Ca 0.00 1.12 -0.34 0.00 -0.00 0.00 0.00 56.01 56.79 1xjw n LEU 48 Cb 0.00 -1.06 0.10 0.00 -0.00 0.00 0.00 43.42 42.46 1xjw n LEU 48 CO 0.00 -0.80 0.33 -0.81 -0.00 0.00 0.00 177.39 176.11 1xjw n PRO 49 N 4.11 0.13 -2.71 1.47 -0.04 -1.25 -3.20 135.00 133.52 1xjw n PRO 49 Ca 0.25 0.10 -0.07 0.00 -0.04 0.00 0.00 63.50 63.75 1xjw n PRO 49 Cb 0.09 -2.10 0.09 0.00 -0.04 0.00 0.00 33.50 31.55 1xjw n PRO 49 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xjw n SER 50 N -1.77 -1.99 0.00 3.54 7.64 -0.49 -4.83 113.62 115.72 1xjw n SER 50 Ca 0.11 -3.04 0.00 0.00 1.01 0.00 0.00 58.87 56.95 1xjw n SER 50 Cb 0.51 1.59 0.00 0.00 -1.01 0.00 0.00 64.21 65.30 1xjw n SER 50 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xjw n GLY 51 N 0.20 3.52 0.30 0.23 0.00 -1.26 -0.61 105.19 107.56 1xjw n GLY 51 Ca 0.01 0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.19 1xjw n GLY 51 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xjw h GLU 52 N 0.00 0.48 -2.80 1.61 3.07 -2.05 0.36 114.58 115.25 1xjw h GLU 52 Ca 0.00 -0.03 -0.41 0.00 -0.50 0.00 0.00 59.36 58.42 1xjw h GLU 52 Cb 0.00 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 1xjw h GLU 52 CO 0.00 0.32 2.08 -0.12 -1.40 0.00 0.00 179.01 179.89 1xjw n MET 53 N -4.96 2.58 0.00 2.33 1.56 0.22 -4.78 117.12 114.06 1xjw n MET 53 Ca 0.17 -1.53 0.00 0.00 -0.27 0.00 0.00 57.70 56.07 1xjw n MET 53 Cb 0.47 -2.40 0.00 0.00 2.15 0.00 0.00 33.22 33.44 1xjw n MET 53 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1xjw n GLY 54 N 3.26 -1.69 2.82 -5.12 0.00 0.13 -2.08 105.19 102.51 1xjw n GLY 54 Ca 0.55 0.36 -0.39 0.00 0.00 0.00 0.00 46.02 46.54 1xjw n GLY 54 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1xjw n ARG 55 N -0.70 4.44 -1.51 1.61 0.63 -1.26 -1.40 116.66 118.47 1xjw n ARG 55 Ca 0.00 -4.63 -0.30 0.00 -0.92 0.00 0.00 57.85 52.01 1xjw n ARG 55 Cb 0.00 -2.45 0.19 0.00 0.45 0.00 0.00 32.46 30.65 1xjw n ARG 55 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 1xjw s LYS 56 N -3.26 0.20 0.09 -0.14 0.00 -1.10 -3.80 119.74 111.73 1xjw s LYS 56 Ca 0.36 -0.05 0.06 0.00 0.00 0.00 0.00 55.97 56.34 1xjw s LYS 56 Cb 0.12 -1.76 -0.03 0.00 0.00 0.00 0.00 37.83 36.15 1xjw s LYS 56 CO 0.01 -2.77 -0.16 0.34 0.00 0.00 0.00 175.35 172.77 1xjw s ASP 57 N -4.25 1.99 -0.01 0.03 -1.08 0.33 -2.41 116.67 111.27 1xjw s ASP 57 Ca 0.69 -0.69 -0.01 0.00 -0.52 0.00 0.00 52.55 52.02 1xjw s ASP 57 Cb -0.10 -0.08 -0.00 0.00 -1.46 0.00 0.00 42.92 41.28 1xjw s ASP 57 CO 0.54 -0.06 0.03 -0.22 0.52 0.00 0.00 175.17 175.98 1xjw s LEU 58 N -1.99 1.92 -0.04 -1.34 2.96 0.12 -1.84 118.68 118.47 1xjw s LEU 58 Ca 0.03 -0.03 0.01 0.00 -0.22 0.00 0.00 54.13 53.92 1xjw s LEU 58 Cb -0.09 0.13 0.02 0.00 0.50 0.00 0.00 46.19 46.76 1xjw s LEU 58 CO 0.03 -0.07 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.33 1xjw s ILE 59 N -0.26 0.44 -0.18 6.68 -1.09 -1.06 0.48 121.20 126.21 1xjw s ILE 59 Ca -0.03 -0.08 -0.01 0.00 -2.23 0.00 0.00 60.65 58.31 1xjw s ILE 59 Cb -0.02 -0.48 0.05 0.00 -1.58 0.00 0.00 42.46 40.43 1xjw s ILE 59 CO -0.00 0.20 -0.03 -0.54 -1.23 0.00 0.00 174.94 173.34 1xjw s LYS 60 N 0.87 1.27 -0.24 2.79 1.02 -1.22 -1.52 119.74 122.71 1xjw s LYS 60 Ca -0.11 -0.58 -0.07 0.00 0.02 0.00 0.00 55.97 55.23 1xjw s LYS 60 Cb -0.14 -2.13 -0.03 0.00 -0.52 0.00 0.00 37.83 35.01 1xjw s LYS 60 CO -0.00 -0.51 0.07 0.42 -0.92 0.00 0.00 175.35 174.40 1xjw s ILE 61 N 1.64 4.35 0.19 2.17 1.01 -0.79 -1.85 121.20 127.92 1xjw s ILE 61 Ca -0.01 -0.16 -0.27 0.00 0.00 0.00 0.00 60.65 60.21 1xjw s ILE 61 Cb -0.16 -3.03 -0.08 0.00 0.01 0.00 0.00 42.46 39.20 1xjw s ILE 61 CO -0.07 0.35 0.85 -0.70 0.00 0.00 0.00 174.94 175.37 1xjw s GLU 62 N 1.49 4.68 0.00 2.79 2.12 0.01 -1.61 118.70 128.19 1xjw s GLU 62 Ca 0.06 1.30 0.00 0.00 0.36 0.00 0.00 54.97 56.68 1xjw s GLU 62 Cb -0.15 -3.28 0.00 0.00 0.26 0.00 0.00 34.13 30.96 1xjw s GLU 62 CO 0.04 0.52 0.00 0.09 -0.54 0.00 0.00 175.26 175.37 1xjw n ASN 63 N 1.68 0.00 -4.75 -1.70 4.13 -0.98 -4.48 115.26 109.15 1xjw n ASN 63 Ca -0.04 0.00 -0.38 0.00 1.68 0.00 0.00 54.58 55.84 1xjw n ASN 63 Cb 0.48 -0.79 -0.06 0.00 -1.54 0.00 0.00 39.78 37.87 1xjw n ASN 63 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1xjw s THR 64 N -2.15 5.12 -0.12 3.41 2.01 -1.24 -4.82 115.64 117.85 1xjw s THR 64 Ca 0.00 0.96 0.03 0.00 0.31 0.00 0.00 61.69 63.00 1xjw s THR 64 Cb 0.00 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.71 1xjw s THR 64 CO 0.00 0.39 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.73 1xjw s PHE 65 N 0.17 2.60 0.00 4.92 0.08 -1.26 -2.12 117.98 122.37 1xjw s PHE 65 Ca 0.26 -1.18 0.00 0.00 0.12 0.00 0.00 56.93 56.13 1xjw s PHE 65 Cb -0.16 -1.75 0.00 0.00 -0.57 0.00 0.00 43.02 40.54 1xjw s PHE 65 CO 0.12 -0.51 0.00 1.28 -0.10 0.00 0.00 175.22 176.01 1xjw n LEU 66 N 3.78 0.00 -3.86 -0.37 4.77 -1.26 -5.10 117.00 114.97 1xjw n LEU 66 Ca -0.19 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.69 1xjw n LEU 66 Cb 0.52 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 1xjw n LEU 66 CO 0.27 -0.36 -0.11 -0.94 -1.33 0.00 0.00 177.39 174.92 1xjw s SER 67 N -1.00 0.08 0.55 -1.43 1.04 -1.26 -4.98 113.70 106.71 1xjw s SER 67 Ca 0.00 -0.50 0.34 0.00 0.48 0.00 0.00 55.95 56.27 1xjw s SER 67 Cb 0.00 0.30 1.51 0.00 0.10 0.00 0.00 66.02 67.93 1xjw s SER 67 CO 0.00 -0.62 1.82 -0.33 0.98 0.00 0.00 173.24 175.09 1xjw h GLU 68 N 3.19 0.00 0.69 4.02 3.07 -1.99 0.29 114.58 123.83 1xjw h GLU 68 Ca -0.33 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.50 1xjw h GLU 68 Cb 1.19 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.11 1xjw h GLU 68 CO 0.52 0.00 -0.33 -0.44 -1.40 0.00 0.00 179.01 177.36 1xjw h ASP 69 N 0.00 -0.78 0.79 1.42 5.19 -2.00 -2.90 116.42 118.14 1xjw h ASP 69 Ca 0.48 0.03 -0.04 0.00 -0.62 0.00 0.00 57.03 56.88 1xjw h ASP 69 Cb 2.01 0.20 0.01 0.00 0.18 0.00 0.00 39.33 41.73 1xjw h ASP 69 CO -0.01 -0.40 -0.38 1.56 -3.12 0.00 0.00 179.24 176.89 1xjw h GLN 70 N -1.23 -1.02 -0.78 3.56 4.20 -1.11 -3.04 115.11 115.68 1xjw h GLN 70 Ca -0.09 0.07 0.18 0.00 0.06 0.00 0.00 58.65 58.86 1xjw h GLN 70 Cb 0.71 0.23 -0.14 0.00 0.30 0.00 0.00 27.48 28.58 1xjw h GLN 70 CO 0.15 -0.67 -0.02 0.28 -0.67 0.00 0.00 178.83 177.90 1xjw h VAL 71 N -1.11 0.30 -0.94 -0.54 2.07 -0.73 0.99 116.25 116.29 1xjw h VAL 71 Ca -0.11 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.43 1xjw h VAL 71 Cb 0.82 0.21 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 1xjw h VAL 71 CO 0.18 0.01 0.61 0.44 0.02 0.00 0.00 177.57 178.83 1xjw h ASP 72 N 0.08 0.98 0.00 0.57 5.19 -1.49 -1.36 116.42 120.39 1xjw h ASP 72 Ca 0.42 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.83 1xjw h ASP 72 Cb 0.75 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.04 1xjw h ASP 72 CO -0.71 0.65 0.00 0.00 -3.12 0.00 0.00 179.24 176.07 1xjw n GLN 73 N -4.46 0.06 0.15 3.56 6.02 0.34 -0.21 117.38 122.84 1xjw n GLN 73 Ca 0.13 0.56 0.06 0.00 -0.01 0.00 0.00 57.00 57.75 1xjw n GLN 73 Cb 0.14 -1.71 0.06 0.00 1.02 0.00 0.00 30.24 29.76 1xjw n GLN 73 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1xjw h LEU 74 N 0.00 0.00 0.00 1.08 3.38 -1.24 -3.22 115.31 115.31 1xjw h LEU 74 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xjw h LEU 74 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1xjw h LEU 74 CO 0.00 0.28 0.01 0.00 0.09 0.00 0.00 178.44 178.82 1xjw n ALA 75 N -2.20 1.18 0.41 1.53 0.00 0.71 -0.75 120.51 121.40 1xjw n ALA 75 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.57 1xjw n ALA 75 Cb 0.66 -0.97 0.09 0.00 0.00 0.00 0.00 19.45 19.22 1xjw n ALA 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1xjw h LEU 76 N 0.00 0.00 0.00 0.00 6.46 -1.73 -3.36 115.31 116.68 1xjw h LEU 76 Ca 0.00 -0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.59 1xjw h LEU 76 Cb 0.01 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.94 1xjw h LEU 76 CO 0.00 0.09 -0.71 -1.22 -0.62 0.00 0.00 178.44 175.98 1xjw n TYR 77 N -2.27 0.00 -3.60 1.25 4.02 0.07 -4.91 117.16 111.71 1xjw n TYR 77 Ca 0.02 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.64 1xjw n TYR 77 Cb 0.48 0.09 -0.10 0.00 -0.02 0.00 0.00 39.34 39.79 1xjw n TYR 77 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1xjw n ALA 78 N -2.62 3.46 -0.10 -0.72 0.00 0.04 -4.92 120.51 115.66 1xjw n ALA 78 Ca 0.00 -4.31 -0.09 0.00 0.00 0.00 0.00 53.44 49.04 1xjw n ALA 78 Cb 0.35 -0.93 -0.02 0.00 0.00 0.00 0.00 19.45 18.86 1xjw n ALA 78 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1xjw h PRO 79 N 4.88 0.44 -0.10 0.00 0.13 -1.70 -3.14 132.00 132.50 1xjw h PRO 79 Ca 0.17 -0.05 -0.12 0.00 -0.87 0.00 0.00 66.00 65.13 1xjw h PRO 79 Cb 0.76 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 1xjw h PRO 79 CO 0.69 0.36 -0.48 -0.56 -0.23 0.00 0.00 178.00 177.77 1xjw h GLN 80 N 0.40 0.26 -5.91 0.86 -0.00 -1.92 -3.39 115.11 105.42 1xjw h GLN 80 Ca 0.11 -0.14 -0.59 0.00 -0.00 0.00 0.00 58.65 58.04 1xjw h GLN 80 Cb 0.04 0.01 0.18 0.00 -0.00 0.00 0.00 27.48 27.71 1xjw h GLN 80 CO -0.02 0.69 -1.21 0.00 -0.00 0.00 0.00 178.83 178.29 1xjw n ALA 81 N -2.47 -3.30 -3.32 0.06 0.00 -1.19 -4.90 120.51 105.38 1xjw n ALA 81 Ca -0.02 -0.11 -0.32 0.00 0.00 0.00 0.00 53.44 53.00 1xjw n ALA 81 Cb 0.53 -1.36 -0.17 0.00 0.00 0.00 0.00 19.45 18.45 1xjw n ALA 81 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1xjw s THR 82 N -1.97 2.01 -0.25 0.00 -1.32 0.90 -4.06 115.64 110.95 1xjw s THR 82 Ca 0.54 -0.98 -0.15 0.00 -1.21 0.00 0.00 61.69 59.89 1xjw s THR 82 Cb -0.46 -1.75 -0.04 0.00 -1.51 0.00 0.00 72.50 68.75 1xjw s THR 82 CO 0.67 0.55 0.37 -0.69 -2.21 0.00 0.00 174.62 173.31 1xjw s VAL 83 N 0.46 5.19 -0.18 5.08 1.01 -0.85 -0.39 120.40 130.71 1xjw s VAL 83 Ca -0.16 0.60 -0.05 0.00 0.00 0.00 0.00 61.98 62.36 1xjw s VAL 83 Cb -0.17 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 1xjw s VAL 83 CO 0.06 0.19 0.01 0.20 0.00 0.00 0.00 175.10 175.57 1xjw s ASN 84 N 1.43 5.06 -0.63 3.32 0.02 -1.04 -0.51 114.94 122.59 1xjw s ASN 84 Ca 0.16 -0.10 -0.22 0.00 -1.02 0.00 0.00 52.86 51.68 1xjw s ASN 84 Cb -0.15 -1.86 0.07 0.00 0.02 0.00 0.00 41.25 39.33 1xjw s ASN 84 CO 0.09 0.12 0.92 -0.13 0.02 0.00 0.00 177.10 178.12 1xjw s ARG 85 N 0.66 3.13 -0.41 -0.60 1.81 0.11 -1.92 118.95 121.74 1xjw s ARG 85 Ca 0.00 -0.81 -0.14 0.00 -1.72 0.00 0.00 55.73 53.06 1xjw s ARG 85 Cb -0.14 -4.20 0.03 0.00 -0.45 0.00 0.00 34.95 30.18 1xjw s ARG 85 CO 0.02 -1.72 0.29 0.42 -0.68 0.00 0.00 175.30 173.63 1xjw s ILE 86 N 3.84 5.11 -0.21 1.52 1.09 -0.74 -0.35 121.20 131.46 1xjw s ILE 86 Ca 0.22 -0.75 0.01 0.00 -1.10 0.00 0.00 60.65 59.02 1xjw s ILE 86 Cb -0.17 -3.87 0.02 0.00 -1.06 0.00 0.00 42.46 37.38 1xjw s ILE 86 CO 0.11 -0.32 -0.15 -0.62 -0.10 0.00 0.00 174.94 173.85 1xjw s ASP 87 N 1.74 3.59 -1.12 3.58 -1.08 -0.08 0.16 116.67 123.47 1xjw s ASP 87 Ca 0.04 -0.78 -0.03 0.00 -0.52 0.00 0.00 52.55 51.27 1xjw s ASP 87 Cb -0.20 -1.54 -0.03 0.00 -1.46 0.00 0.00 42.92 39.70 1xjw s ASP 87 CO 0.09 -0.05 0.95 -3.20 0.52 0.00 0.00 175.17 173.48 1xjw n ASN 88 N 4.61 -4.01 0.00 -0.34 4.05 -0.70 -2.51 115.26 116.36 1xjw n ASN 88 Ca -0.19 -0.65 0.00 0.00 0.45 0.00 0.00 54.58 54.19 1xjw n ASN 88 Cb 0.48 -5.10 0.00 0.00 1.23 0.00 0.00 39.78 36.39 1xjw n ASN 88 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 1xjw n TYR 89 N -3.70 0.00 -2.64 1.20 4.01 0.15 -4.88 117.16 111.29 1xjw n TYR 89 Ca -0.19 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.13 1xjw n TYR 89 Cb 0.65 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.65 1xjw n TYR 89 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1xjw s GLU 90 N 0.00 4.53 -1.25 -0.72 2.56 -1.05 -4.95 118.70 117.83 1xjw s GLU 90 Ca 0.00 1.50 -0.20 0.00 0.00 0.00 0.00 54.97 56.28 1xjw s GLU 90 Cb 0.00 -3.43 -0.00 0.00 2.00 0.00 0.00 34.13 32.70 1xjw s GLU 90 CO 0.00 -0.10 1.84 1.55 -0.56 0.00 0.00 175.26 178.00 1xjw n VAL 91 N 3.89 3.07 0.29 3.70 3.14 -1.26 -0.90 118.33 130.27 1xjw n VAL 91 Ca 0.07 -3.16 0.17 0.00 -2.96 0.00 0.00 64.34 58.45 1xjw n VAL 91 Cb 0.50 -2.29 0.89 0.00 -1.06 0.00 0.00 33.84 31.88 1xjw n VAL 91 CO 0.00 0.00 0.00 -0.37 -6.46 0.00 0.00 176.83 170.00 1xjw h VAL 92 N 5.69 0.31 -3.89 1.55 -1.51 -0.96 -3.46 116.25 113.98 1xjw h VAL 92 Ca 0.37 -0.30 -0.10 0.00 -1.23 0.00 0.00 66.70 65.44 1xjw h VAL 92 Cb 0.88 1.22 -0.14 0.00 -2.13 0.00 0.00 31.29 31.13 1xjw h VAL 92 CO 1.41 0.05 -0.38 -0.83 -1.23 0.00 0.00 177.57 176.58 1xjw s GLY 93 N -4.17 0.29 -0.29 5.19 0.00 -0.68 -4.97 107.32 102.70 1xjw s GLY 93 Ca -0.03 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 43.92 1xjw s GLY 93 CO 0.52 -0.87 0.56 1.25 0.00 0.00 0.00 173.10 174.56 1xjw s LYS 94 N -3.91 0.54 0.24 2.90 2.20 -1.26 0.10 119.74 120.54 1xjw s LYS 94 Ca 0.10 0.70 0.02 0.00 -0.36 0.00 0.00 55.97 56.44 1xjw s LYS 94 Cb 0.05 0.28 0.02 0.00 -1.51 0.00 0.00 37.83 36.66 1xjw s LYS 94 CO -0.06 -0.84 0.15 -1.13 -0.36 0.00 0.00 175.35 173.11 1xjw n SER 95 N 5.41 1.87 -3.66 1.43 3.41 0.34 -4.97 113.62 117.45 1xjw n SER 95 Ca 0.01 -1.84 -0.08 0.00 -0.26 0.00 0.00 58.87 56.70 1xjw n SER 95 Cb 0.52 0.01 -0.09 0.00 -0.26 0.00 0.00 64.21 64.38 1xjw n SER 95 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1xjw s ARG 96 N -2.95 0.35 -0.29 4.33 3.52 -1.26 -2.01 118.95 120.64 1xjw s ARG 96 Ca 0.12 1.01 -0.37 0.00 -0.13 0.00 0.00 55.73 56.36 1xjw s ARG 96 Cb -0.01 0.29 -0.13 0.00 -1.56 0.00 0.00 34.95 33.54 1xjw s ARG 96 CO 0.07 -0.23 1.99 -0.35 -0.81 0.00 0.00 175.30 175.97 1xjw n PRO 97 N 5.17 1.26 -4.06 5.12 -0.04 -1.26 -4.94 135.00 136.24 1xjw n PRO 97 Ca -0.12 0.41 -0.25 0.00 -0.04 0.00 0.00 63.50 63.51 1xjw n PRO 97 Cb 0.51 -2.35 -0.05 0.00 -0.04 0.00 0.00 33.50 31.58 1xjw n PRO 97 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1xjw s SER 98 N 5.49 5.69 0.03 3.54 1.04 -1.26 -4.56 113.70 123.67 1xjw s SER 98 Ca 1.03 -0.11 -0.30 0.00 0.48 0.00 0.00 55.95 57.06 1xjw s SER 98 Cb -0.92 -1.53 -0.08 0.00 0.10 0.00 0.00 66.02 63.59 1xjw s SER 98 CO 0.56 0.03 1.87 -0.22 0.98 0.00 0.00 173.24 176.46 1xjw s LEU 99 N -3.37 4.40 0.69 2.42 2.96 -1.26 -4.53 118.68 119.98 1xjw s LEU 99 Ca 0.32 2.58 -0.11 0.00 -0.22 0.00 0.00 54.13 56.70 1xjw s LEU 99 Cb -0.10 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.06 1xjw s LEU 99 CO 0.25 -1.01 1.08 -2.16 -1.32 0.00 0.00 176.35 173.19 1xjw s PRO 100 N 4.08 3.00 0.06 0.98 0.04 -1.26 -4.99 135.00 136.90 1xjw s PRO 100 Ca 0.84 0.50 0.25 0.00 0.04 0.00 0.00 61.00 62.63 1xjw s PRO 100 Cb -0.41 -2.04 0.44 0.00 0.04 0.00 0.00 34.50 32.53 1xjw s PRO 100 CO 0.38 -0.94 1.37 -0.85 0.04 0.00 0.00 177.00 177.00 1xjw n GLU 101 N -2.95 0.15 -3.64 4.56 0.28 -1.26 -4.52 120.64 113.26 1xjw n GLU 101 Ca 0.07 0.04 -0.06 0.00 -0.16 0.00 0.00 57.16 57.04 1xjw n GLU 101 Cb 0.57 -1.59 -0.07 0.00 1.43 0.00 0.00 31.44 31.78 1xjw n GLU 101 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 1xjw s ARG 102 N -3.09 0.61 -0.16 3.44 1.70 -1.26 -0.74 118.95 119.46 1xjw s ARG 102 Ca 0.09 1.03 -0.08 0.00 -0.47 0.00 0.00 55.73 56.30 1xjw s ARG 102 Cb 0.16 0.14 -0.04 0.00 -0.57 0.00 0.00 34.95 34.63 1xjw s ARG 102 CO 0.71 -0.12 0.10 0.42 -1.08 0.00 0.00 175.30 175.33 1xjw s ILE 103 N 1.44 5.19 0.10 4.99 -1.09 -0.51 -4.91 121.20 126.41 1xjw s ILE 103 Ca -0.09 0.10 0.08 0.00 -2.23 0.00 0.00 60.65 58.52 1xjw s ILE 103 Cb -0.05 -3.32 -0.03 0.00 -1.58 0.00 0.00 42.46 37.48 1xjw s ILE 103 CO -0.17 0.51 -0.22 -1.81 -1.23 0.00 0.00 174.94 172.02 1xjw s ASP 104 N -0.13 2.64 0.00 3.58 1.01 -1.26 -1.14 116.67 121.37 1xjw s ASP 104 Ca 0.09 -0.68 0.00 0.00 0.71 0.00 0.00 52.55 52.67 1xjw s ASP 104 Cb -0.12 -0.16 0.00 0.00 1.01 0.00 0.00 42.92 43.66 1xjw s ASP 104 CO 0.01 0.09 0.00 0.59 0.21 0.00 0.00 175.17 176.06 1xjw n ASN 105 N 1.15 0.00 -0.05 0.27 4.13 -1.05 -4.74 115.26 114.97 1xjw n ASN 105 Ca -0.19 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.06 1xjw n ASN 105 Cb 0.53 -0.76 -0.00 0.00 -1.54 0.00 0.00 39.78 38.01 1xjw n ASN 105 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 1xjw h VAL 106 N 0.00 0.00 -4.27 2.41 2.07 -1.87 -3.46 116.25 111.12 1xjw h VAL 106 Ca 0.00 -0.90 -0.46 0.00 0.82 0.00 0.00 66.70 66.16 1xjw h VAL 106 Cb 0.00 0.00 0.11 0.00 -1.52 0.00 0.00 31.29 29.88 1xjw h VAL 106 CO 0.00 0.00 0.38 -0.76 0.02 0.00 0.00 177.57 177.21 1xjw s LEU 107 N -8.02 2.61 -0.07 2.57 1.43 -1.26 -0.51 118.68 115.44 1xjw s LEU 107 Ca -0.04 0.57 0.02 0.00 -1.03 0.00 0.00 54.13 53.64 1xjw s LEU 107 Cb 0.01 -2.95 0.02 0.00 0.03 0.00 0.00 46.19 43.29 1xjw s LEU 107 CO 0.06 -2.09 -0.11 -0.69 0.23 0.00 0.00 176.35 173.75 1xjw s VAL 108 N -3.61 1.08 0.06 -1.59 1.01 0.68 -4.75 120.40 113.28 1xjw s VAL 108 Ca 0.65 -0.43 -0.32 0.00 0.00 0.00 0.00 61.98 61.89 1xjw s VAL 108 Cb -0.09 -1.00 -0.11 0.00 0.00 0.00 0.00 36.38 35.18 1xjw s VAL 108 CO 0.49 0.35 1.85 0.00 0.00 0.00 0.00 175.10 177.79 1xjw h PRO 110 N 8.86 0.00 -6.32 0.00 0.13 -1.94 -3.41 132.00 129.32 1xjw h PRO 110 Ca -0.47 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.09 1xjw h PRO 110 Cb 1.24 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 1xjw h PRO 110 CO 0.94 0.01 1.04 1.21 -0.23 0.00 0.00 178.00 180.97 1xjw s ASN 111 N -5.48 6.54 0.39 1.44 2.47 -1.26 -4.89 114.94 114.15 1xjw s ASN 111 Ca -0.02 1.39 0.17 0.00 0.42 0.00 0.00 52.86 54.82 1xjw s ASN 111 Cb 0.11 -2.54 0.81 0.00 -1.45 0.00 0.00 41.25 38.19 1xjw s ASN 111 CO 0.48 -1.16 1.82 0.77 -3.72 0.00 0.00 177.10 175.29 1xjw h SER 112 N 9.94 0.00 -0.19 -4.21 4.64 -2.02 -2.71 113.55 119.01 1xjw h SER 112 Ca -0.29 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1xjw h SER 112 Cb 1.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1xjw h SER 112 CO 1.02 0.35 0.00 -3.20 -0.87 0.00 0.00 176.83 174.13 1xjw n ASN 113 N -3.81 2.54 -4.73 4.97 5.15 -1.26 -4.88 115.26 113.24 1xjw n ASN 113 Ca -0.01 -2.30 -0.40 0.00 -0.60 0.00 0.00 54.58 51.26 1xjw n ASN 113 Cb 0.43 -0.56 -0.04 0.00 -0.53 0.00 0.00 39.78 39.07 1xjw n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xjw h ILE 115 N 4.38 0.49 -0.00 0.00 6.09 -1.91 -1.90 117.51 124.65 1xjw h ILE 115 Ca -0.43 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.07 1xjw h ILE 115 Cb 1.21 0.77 -0.00 0.00 0.47 0.00 0.00 36.82 39.27 1xjw h ILE 115 CO 0.73 0.00 0.02 0.77 -3.07 0.00 0.00 178.15 176.59 1xjw h SER 116 N 0.00 0.00 1.08 2.19 4.64 -1.91 -2.28 113.55 117.26 1xjw h SER 116 Ca 0.14 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.27 1xjw h SER 116 Cb 0.71 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.78 1xjw h SER 116 CO -0.00 0.00 -0.94 0.45 -0.87 0.00 0.00 176.83 175.47 1xjw h HIS 117 N 0.00 0.00 0.01 4.77 3.86 -1.68 -3.39 115.15 118.72 1xjw h HIS 117 Ca 0.00 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.97 1xjw h HIS 117 Cb 0.04 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.47 1xjw h HIS 117 CO 0.00 0.87 -1.30 0.00 0.86 0.00 0.00 177.93 178.36 1xjw h ALA 118 N 1.13 0.27 -2.42 2.45 0.00 -1.60 -3.49 119.26 115.60 1xjw h ALA 118 Ca -0.03 -1.22 -0.50 0.00 0.00 0.00 0.00 54.91 53.16 1xjw h ALA 118 Cb 1.69 0.73 0.07 0.00 0.00 0.00 0.00 17.79 20.28 1xjw h ALA 118 CO 0.11 0.74 0.41 -1.21 0.00 0.00 0.00 179.25 179.30 1xjw s GLU 119 N -2.38 3.15 -1.50 0.00 0.41 -1.02 -4.97 118.70 112.40 1xjw s GLU 119 Ca -0.28 0.60 -0.11 0.00 -0.41 0.00 0.00 54.97 54.77 1xjw s GLU 119 Cb 0.06 -2.04 0.01 0.00 -1.78 0.00 0.00 34.13 30.37 1xjw s GLU 119 CO 0.61 -0.86 2.52 -0.35 -0.49 0.00 0.00 175.26 176.69 1xjw n PRO 120 N -2.91 3.49 -4.34 0.39 -0.04 -1.26 -4.89 135.00 125.44 1xjw n PRO 120 Ca 0.07 -2.63 -0.18 0.00 -0.04 0.00 0.00 63.50 60.72 1xjw n PRO 120 Cb 0.56 -2.97 -0.10 0.00 -0.04 0.00 0.00 33.50 30.94 1xjw n PRO 120 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1xjw s VAL 121 N 1.97 1.60 0.01 0.52 -7.23 -1.26 -5.13 120.40 110.88 1xjw s VAL 121 Ca 0.57 -2.17 -0.17 0.00 -1.81 0.00 0.00 61.98 58.39 1xjw s VAL 121 Cb 0.16 -2.06 -0.06 0.00 0.56 0.00 0.00 36.38 34.98 1xjw s VAL 121 CO -0.07 -0.58 0.48 -0.44 -0.31 0.00 0.00 175.10 174.18 1xjw s SER 122 N -3.30 6.88 1.13 4.85 0.01 -1.26 -5.01 113.70 117.00 1xjw s SER 122 Ca 0.22 1.05 -0.13 0.00 1.31 0.00 0.00 55.95 58.41 1xjw s SER 122 Cb 0.01 -2.30 0.26 0.00 0.21 0.00 0.00 66.02 64.20 1xjw s SER 122 CO 0.06 0.25 1.04 -0.94 0.41 0.00 0.00 173.24 174.07 1xjw s SER 123 N -0.80 1.32 -0.29 2.44 1.04 -1.26 -4.80 113.70 111.35 1xjw s SER 123 Ca 0.26 1.50 -0.18 0.00 0.48 0.00 0.00 55.95 58.00 1xjw s SER 123 Cb -0.17 -2.24 0.16 0.00 0.10 0.00 0.00 66.02 63.86 1xjw s SER 123 CO 0.15 -3.99 1.09 -0.55 0.98 0.00 0.00 173.24 170.92 1xjw s SER 124 N -2.68 -0.36 -0.01 7.02 0.15 -1.26 -2.52 113.70 114.04 1xjw s SER 124 Ca 0.68 0.60 0.03 0.00 0.70 0.00 0.00 55.95 57.96 1xjw s SER 124 Cb -0.24 1.02 -0.00 0.00 -1.71 0.00 0.00 66.02 65.08 1xjw s SER 124 CO 0.63 -0.10 -0.10 -0.36 1.20 0.00 0.00 173.24 174.51 1xjw s PHE 125 N 0.99 0.95 -0.03 3.44 0.40 -0.30 -1.65 117.98 121.78 1xjw s PHE 125 Ca -0.05 -0.20 -0.25 0.00 -0.60 0.00 0.00 56.93 55.82 1xjw s PHE 125 Cb -0.04 -0.63 -0.04 0.00 0.51 0.00 0.00 43.02 42.82 1xjw s PHE 125 CO -0.13 -0.04 0.78 0.00 0.70 0.00 0.00 175.22 176.53 1xjw s ALA 126 N -0.10 3.30 0.07 5.36 0.00 0.34 -1.43 121.76 129.30 1xjw s ALA 126 Ca 0.02 0.26 -0.14 0.00 0.00 0.00 0.00 51.96 52.09 1xjw s ALA 126 Cb -0.06 -3.05 -0.06 0.00 0.00 0.00 0.00 23.12 19.95 1xjw s ALA 126 CO -0.00 -0.10 0.47 0.08 0.00 0.00 0.00 175.76 176.21 1xjw s VAL 127 N 0.68 4.96 -0.16 0.00 1.01 0.09 -1.47 120.40 125.51 1xjw s VAL 127 Ca 0.41 0.79 -0.11 0.00 0.00 0.00 0.00 61.98 63.07 1xjw s VAL 127 Cb -0.19 -3.73 0.05 0.00 0.00 0.00 0.00 36.38 32.51 1xjw s VAL 127 CO 0.21 0.41 0.40 -0.60 0.00 0.00 0.00 175.10 175.53 1xjw s ARG 128 N -1.53 0.42 -1.07 2.72 3.52 -0.46 -4.83 118.95 117.72 1xjw s ARG 128 Ca 0.31 0.69 -0.19 0.00 -0.13 0.00 0.00 55.73 56.40 1xjw s ARG 128 Cb -0.16 0.07 0.10 0.00 -1.56 0.00 0.00 34.95 33.40 1xjw s ARG 128 CO 0.17 -0.12 1.40 0.21 -0.81 0.00 0.00 175.30 176.15 1xjw s LYS 129 N 0.94 3.74 0.00 5.12 2.20 -1.26 0.12 119.74 130.60 1xjw s LYS 129 Ca -0.06 -1.69 0.00 0.00 -0.36 0.00 0.00 55.97 53.86 1xjw s LYS 129 Cb -0.06 -5.22 0.00 0.00 -1.51 0.00 0.00 37.83 31.04 1xjw s LYS 129 CO -0.07 -2.02 0.02 -2.13 -0.36 0.00 0.00 175.35 170.78 1xjw n ARG 130 N 7.62 0.00 0.00 4.03 0.63 -0.90 -4.93 116.66 123.12 1xjw n ARG 130 Ca 0.34 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 57.27 1xjw n ARG 130 Cb 0.48 -0.52 0.00 0.00 0.45 0.00 0.00 32.46 32.87 1xjw n ARG 130 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1xjw n ALA 131 N -2.90 1.34 0.03 5.13 0.00 -1.26 -4.95 120.51 117.90 1xjw n ALA 131 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1xjw n ALA 131 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1xjw n ALA 131 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1xjw h ASN 132 N 0.00 0.76 -4.77 0.00 4.21 -2.01 -3.47 115.58 110.30 1xjw h ASN 132 Ca 0.00 -0.75 -0.53 0.00 1.21 0.00 0.00 56.30 56.23 1xjw h ASN 132 Cb 0.00 -0.23 -0.09 0.00 -1.12 0.00 0.00 38.32 36.88 1xjw h ASN 132 CO 0.00 1.41 -0.36 -0.90 -1.29 0.00 0.00 177.43 176.29 1xjw n ASP 133 N -4.00 3.03 -4.68 5.81 5.75 -1.26 -5.13 116.55 116.07 1xjw n ASP 133 Ca -0.11 -2.77 -0.38 0.00 -0.01 0.00 0.00 54.79 51.53 1xjw n ASP 133 Cb 0.80 0.24 -0.08 0.00 -1.03 0.00 0.00 41.12 41.06 1xjw n ASP 133 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1xjw s ILE 134 N -2.45 5.24 0.01 2.12 1.01 -1.26 -2.11 121.20 123.77 1xjw s ILE 134 Ca 0.04 0.61 -0.16 0.00 0.00 0.00 0.00 60.65 61.14 1xjw s ILE 134 Cb -0.00 -3.68 -0.06 0.00 0.01 0.00 0.00 42.46 38.73 1xjw s ILE 134 CO 0.03 0.30 0.46 0.00 0.00 0.00 0.00 174.94 175.72 1xjw s ALA 135 N 1.06 3.65 -0.12 9.38 0.00 0.32 0.12 121.76 136.17 1xjw s ALA 135 Ca 0.17 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.00 1xjw s ALA 135 Cb -0.14 -2.48 -0.01 0.00 0.00 0.00 0.00 23.12 20.49 1xjw s ALA 135 CO 0.07 0.42 -0.17 -0.51 0.00 0.00 0.00 175.76 175.56 1xjw s LEU 136 N -0.95 2.47 -0.19 0.00 1.43 0.11 -1.35 118.68 120.21 1xjw s LEU 136 Ca 0.25 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1xjw s LEU 136 Cb -0.17 -1.53 0.02 0.00 0.03 0.00 0.00 46.19 44.53 1xjw s LEU 136 CO 0.15 0.16 -0.17 -0.75 0.23 0.00 0.00 176.35 175.97 1xjw s LYS 137 N 0.36 3.05 0.19 1.70 2.20 -0.54 0.16 119.74 126.86 1xjw s LYS 137 Ca -0.14 -0.80 -0.31 0.00 -0.36 0.00 0.00 55.97 54.37 1xjw s LYS 137 Cb -0.17 -2.65 -0.10 0.00 -1.51 0.00 0.00 37.83 33.40 1xjw s LYS 137 CO 0.07 -0.21 1.48 0.00 -0.36 0.00 0.00 175.35 176.33 1xjw h LYS 139 N 6.14 0.95 0.00 0.00 3.64 -1.67 -2.22 116.57 123.41 1xjw h LYS 139 Ca -0.44 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 1xjw h LYS 139 Cb 1.21 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1xjw h LYS 139 CO 0.85 0.74 0.00 0.66 -2.27 0.00 0.00 179.45 179.43 1xjw n TYR 140 N -4.34 0.00 0.28 1.91 4.01 -1.26 -4.39 117.16 113.37 1xjw n TYR 140 Ca 0.06 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.96 1xjw n TYR 140 Cb 0.13 -0.09 0.78 0.00 -0.31 0.00 0.00 39.34 39.86 1xjw n TYR 140 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1xjw n GLU 142 N -2.64 -1.17 -3.08 0.00 1.02 -0.83 -5.01 120.64 108.94 1xjw n GLU 142 Ca -0.01 0.48 -0.32 0.00 -0.02 0.00 0.00 57.16 57.29 1xjw n GLU 142 Cb 0.12 -4.45 -0.06 0.00 -0.02 0.00 0.00 31.44 27.04 1xjw n GLU 142 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1xjw s LYS 143 N -1.73 3.98 0.12 3.49 -0.14 -1.26 -4.74 119.74 119.46 1xjw s LYS 143 Ca 0.00 0.66 0.10 0.00 -1.36 0.00 0.00 55.97 55.37 1xjw s LYS 143 Cb 0.00 -2.41 -0.04 0.00 -1.68 0.00 0.00 37.83 33.70 1xjw s LYS 143 CO 0.00 0.12 -0.23 -1.83 -0.76 0.00 0.00 175.35 172.65 1xjw s GLU 144 N -3.12 1.59 0.04 1.68 -1.05 -1.26 -1.66 118.70 114.92 1xjw s GLU 144 Ca 0.54 -1.27 0.00 0.00 -0.15 0.00 0.00 54.97 54.10 1xjw s GLU 144 Cb -0.10 -2.00 -0.03 0.00 -0.44 0.00 0.00 34.13 31.55 1xjw s GLU 144 CO 0.19 0.46 -0.04 -0.06 0.95 0.00 0.00 175.26 176.76 1xjw s PHE 145 N -1.10 0.51 0.32 4.83 0.08 0.12 -4.91 117.98 117.83 1xjw s PHE 145 Ca 0.16 -0.74 -0.29 0.00 0.12 0.00 0.00 56.93 56.17 1xjw s PHE 145 Cb -0.10 -0.34 -0.11 0.00 -0.57 0.00 0.00 43.02 41.90 1xjw s PHE 145 CO 0.08 -0.22 1.51 -1.54 -0.10 0.00 0.00 175.22 174.95 1xjw s SER 146 N -2.16 6.43 0.00 1.36 1.04 -1.26 0.07 113.70 119.18 1xjw s SER 146 Ca -0.04 2.93 0.00 0.00 0.48 0.00 0.00 55.95 59.32 1xjw s SER 146 Cb -0.02 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.45 1xjw s SER 146 CO -0.04 -0.84 0.79 0.00 0.98 0.00 0.00 173.24 174.13 1xjw n HIS 147 N 1.48 0.00 0.03 5.02 1.44 0.32 -1.46 115.22 122.05 1xjw n HIS 147 Ca 0.05 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.62 1xjw n HIS 147 Cb 0.39 -0.31 -0.14 0.00 0.12 0.00 0.00 29.99 30.05 1xjw n HIS 147 CO 0.00 0.00 0.00 -0.91 -2.81 0.00 0.00 176.34 172.62 1xjw h ASN 148 N 0.00 0.23 1.45 4.39 4.21 -1.86 -3.36 115.58 120.64 1xjw h ASN 148 Ca 0.00 -0.37 -0.11 0.00 1.21 0.00 0.00 56.30 57.03 1xjw h ASN 148 Cb 0.24 -0.07 -0.02 0.00 -1.12 0.00 0.00 38.32 37.35 1xjw h ASN 148 CO 0.00 1.31 -0.54 1.62 -1.29 0.00 0.00 177.43 178.53 1xjw h VAL 149 N 0.04 0.93 -3.09 2.81 3.04 -1.61 -3.45 116.25 114.93 1xjw h VAL 149 Ca -0.25 -2.31 -0.53 0.00 -1.01 0.00 0.00 66.70 62.60 1xjw h VAL 149 Cb 1.99 2.46 0.05 0.00 -2.01 0.00 0.00 31.29 33.78 1xjw h VAL 149 CO 0.12 0.53 0.83 -0.69 -1.01 0.00 0.00 177.57 177.35 1xjw s VAL 150 N -2.94 2.61 0.55 1.51 1.01 -1.22 -4.93 120.40 116.98 1xjw s VAL 150 Ca 0.04 0.47 0.08 0.00 0.00 0.00 0.00 61.98 62.57 1xjw s VAL 150 Cb 0.08 -3.30 0.08 0.00 0.00 0.00 0.00 36.38 33.24 1xjw s VAL 150 CO 0.75 0.06 0.67 -0.11 0.00 0.00 0.00 175.10 176.47 1xjw n LEU 151 N 3.19 0.00 0.00 3.92 7.94 -1.25 -4.97 117.00 125.83 1xjw n LEU 151 Ca 0.11 -2.50 0.00 0.00 -1.11 0.00 0.00 56.01 52.51 1xjw n LEU 151 Cb 0.39 -0.31 0.00 0.00 0.53 0.00 0.00 43.42 44.03 1xjw n LEU 151 CO 0.61 -0.67 0.00 0.00 -1.11 0.00 0.00 177.39 176.22 1xjw n ALA 152 N -2.24 0.00 -1.50 1.96 0.00 -1.26 -0.23 120.51 117.25 1xjw n ALA 152 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1xjw n ALA 152 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1xjw n ALA 152 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77