#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j4e h MET 1 N 0.00 0.00 -0.71 4.33 3.00 -2.02 -2.69 114.93 116.83 2j4e h MET 1 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.70 2j4e h MET 1 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 31.60 31.57 2j4e h MET 1 CO 0.00 0.53 0.45 0.00 0.00 0.00 0.00 176.91 177.89 2j4e h ALA 2 N 1.47 0.90 -0.01 -3.00 0.00 -1.98 -1.53 119.26 115.11 2j4e h ALA 2 Ca -0.01 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2j4e h ALA 2 Cb 1.25 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2j4e h ALA 2 CO 0.07 0.35 -0.21 0.00 0.00 0.00 0.00 179.25 179.47 2j4e h ALA 3 N 1.24 -0.25 -0.18 0.00 0.00 -1.89 -1.90 119.26 116.28 2j4e h ALA 3 Ca 0.26 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.03 2j4e h ALA 3 Cb -0.07 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2j4e h ALA 3 CO -0.05 -0.70 -0.48 0.66 0.00 0.00 0.00 179.25 178.68 2j4e h SER 4 N -0.32 0.51 1.27 0.00 4.64 -1.30 -3.05 113.55 115.30 2j4e h SER 4 Ca 0.06 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 2j4e h SER 4 Cb 0.41 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2j4e h SER 4 CO -0.20 0.91 -0.41 -0.07 -0.87 0.00 0.00 176.83 176.20 2j4e h LEU 5 N 0.38 0.00 -9.52 5.97 3.38 -1.28 -3.45 115.31 110.79 2j4e h LEU 5 Ca 0.02 -0.08 -0.53 0.00 0.09 0.00 0.00 57.88 57.38 2j4e h LEU 5 Cb 0.98 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.77 2j4e h LEU 5 CO 0.09 0.04 1.04 0.54 0.09 0.00 0.00 178.44 180.24 2j4e s VAL 6 N -3.19 2.63 0.00 1.22 0.11 -0.72 -1.19 120.40 119.27 2j4e s VAL 6 Ca 0.06 0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.33 2j4e s VAL 6 Cb 0.11 -3.14 0.00 0.00 -1.53 0.00 0.00 36.38 31.82 2j4e s VAL 6 CO 0.69 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 173.07 2j4e n GLY 7 N 4.09 1.60 4.00 6.54 0.00 -0.72 -4.98 105.19 115.72 2j4e n GLY 7 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 2j4e n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j4e s LYS 8 N -0.32 2.22 -0.21 1.61 -0.14 -0.33 -4.78 119.74 117.80 2j4e s LYS 8 Ca 0.00 -1.19 -0.15 0.00 -1.36 0.00 0.00 55.97 53.27 2j4e s LYS 8 Cb 0.00 -2.52 -0.04 0.00 -1.68 0.00 0.00 37.83 33.59 2j4e s LYS 8 CO 0.00 -0.94 0.35 0.21 -0.76 0.00 0.00 175.35 174.21 2j4e s LYS 9 N -4.81 4.16 -0.25 1.68 2.20 -1.26 -1.82 119.74 119.65 2j4e s LYS 9 Ca 0.61 0.11 -0.05 0.00 -0.36 0.00 0.00 55.97 56.29 2j4e s LYS 9 Cb -0.07 -3.53 0.00 0.00 -1.51 0.00 0.00 37.83 32.72 2j4e s LYS 9 CO 0.40 -0.01 -0.00 0.42 -0.36 0.00 0.00 175.35 175.80 2j4e s ILE 10 N 1.22 3.52 -0.07 5.43 1.01 0.84 -4.51 121.20 128.64 2j4e s ILE 10 Ca 0.17 -0.61 -0.30 0.00 0.00 0.00 0.00 60.65 59.92 2j4e s ILE 10 Cb -0.14 -2.69 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 2j4e s ILE 10 CO 0.07 0.29 1.09 -0.69 0.00 0.00 0.00 174.94 175.70 2j4e s VAL 11 N 1.47 4.55 -0.43 2.92 1.01 -0.83 -2.24 120.40 126.85 2j4e s VAL 11 Ca 0.04 1.84 -0.12 0.00 0.00 0.00 0.00 61.98 63.74 2j4e s VAL 11 Cb -0.15 -4.18 0.07 0.00 0.00 0.00 0.00 36.38 32.11 2j4e s VAL 11 CO -0.01 0.02 0.31 0.12 0.00 0.00 0.00 175.10 175.53 2j4e s PHE 12 N 2.00 3.28 -0.38 5.22 5.36 -0.20 -0.10 117.98 133.15 2j4e s PHE 12 Ca 0.52 -1.15 -0.19 0.00 -0.96 0.00 0.00 56.93 55.15 2j4e s PHE 12 Cb -0.21 -2.95 0.01 0.00 -0.34 0.00 0.00 43.02 39.53 2j4e s PHE 12 CO 0.20 -0.78 0.54 0.54 -1.46 0.00 0.00 175.22 174.26 2j4e s VAL 13 N 1.55 4.97 0.09 3.12 0.11 -0.59 -1.68 120.40 127.97 2j4e s VAL 13 Ca 0.03 0.20 -0.13 0.00 -2.93 0.00 0.00 61.98 59.14 2j4e s VAL 13 Cb -0.23 -4.04 0.02 0.00 -1.53 0.00 0.00 36.38 30.60 2j4e s VAL 13 CO 0.05 -0.35 0.32 0.28 -3.33 0.00 0.00 175.10 172.07 2j4e s THR 14 N 2.48 0.09 -0.64 5.04 -1.32 -1.12 -4.63 115.64 115.56 2j4e s THR 14 Ca 0.19 -0.78 0.06 0.00 -1.21 0.00 0.00 61.69 59.96 2j4e s THR 14 Cb -0.15 -1.17 0.14 0.00 -1.51 0.00 0.00 72.50 69.81 2j4e s THR 14 CO 0.15 -0.43 1.00 0.61 -2.21 0.00 0.00 174.62 173.74 2j4e n GLY 15 N 0.01 1.64 2.69 6.08 0.00 -1.26 -3.97 105.19 110.39 2j4e n GLY 15 Ca -0.16 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.43 2j4e n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j4e s ASN 16 N -0.85 1.35 0.25 1.61 6.03 -1.26 -5.00 114.94 117.08 2j4e s ASN 16 Ca 0.12 -0.02 -0.06 0.00 -1.03 0.00 0.00 52.86 51.87 2j4e s ASN 16 Cb 0.07 -0.23 0.47 0.00 -3.03 0.00 0.00 41.25 38.52 2j4e s ASN 16 CO 0.09 -0.24 1.64 0.00 -2.03 0.00 0.00 177.10 176.55 2j4e h ALA 17 N 8.41 0.84 -0.63 3.54 0.00 -1.99 -1.89 119.26 127.53 2j4e h ALA 17 Ca -0.14 0.24 0.09 0.00 0.00 0.00 0.00 54.91 55.10 2j4e h ALA 17 Cb 1.12 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 19.28 2j4e h ALA 17 CO 0.19 -0.43 0.42 0.87 0.00 0.00 0.00 179.25 180.31 2j4e h LYS 18 N 0.12 0.47 -0.02 0.00 6.56 -1.99 0.60 116.57 122.32 2j4e h LYS 18 Ca 0.43 -0.03 -0.23 0.00 -1.06 0.00 0.00 60.65 59.76 2j4e h LYS 18 Cb 0.77 -0.11 0.02 0.00 -0.57 0.00 0.00 32.23 32.34 2j4e h LYS 18 CO -0.67 0.31 -0.89 -0.22 -2.06 0.00 0.00 179.45 175.93 2j4e h LYS 19 N 0.49 0.64 -0.49 3.15 3.64 -1.79 -2.96 116.57 119.25 2j4e h LYS 19 Ca 0.29 -0.66 -0.10 0.00 -1.27 0.00 0.00 60.65 58.92 2j4e h LYS 19 Cb 0.49 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 2j4e h LYS 19 CO -0.09 1.26 -0.08 1.25 -2.27 0.00 0.00 179.45 179.52 2j4e h LEU 20 N 0.28 0.86 -0.41 5.20 5.85 -0.96 -2.71 115.31 123.42 2j4e h LEU 20 Ca -0.11 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.39 2j4e h LEU 20 Cb 1.55 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.31 2j4e h LEU 20 CO 0.18 0.97 0.20 -0.08 -0.34 0.00 0.00 178.44 179.37 2j4e h GLU 21 N 0.79 0.39 -0.27 1.25 4.81 0.10 -1.90 114.58 119.75 2j4e h GLU 21 Ca 0.14 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.20 2j4e h GLU 21 Cb 0.59 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 2j4e h GLU 21 CO 0.04 0.26 -0.42 0.93 -0.73 0.00 0.00 179.01 179.09 2j4e h GLU 22 N 0.40 0.67 -0.72 1.92 5.08 -1.44 -2.53 114.58 117.96 2j4e h GLU 22 Ca 0.18 -0.35 -0.07 0.00 -1.00 0.00 0.00 59.36 58.12 2j4e h GLU 22 Cb 0.10 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 2j4e h GLU 22 CO -0.14 0.96 0.19 0.28 -1.00 0.00 0.00 179.01 179.30 2j4e h VAL 23 N 0.55 1.26 -0.09 3.13 2.07 -1.29 -0.96 116.25 120.92 2j4e h VAL 23 Ca 0.04 -0.96 -0.09 0.00 0.82 0.00 0.00 66.70 66.51 2j4e h VAL 23 Cb 0.95 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 2j4e h VAL 23 CO 0.09 0.37 -0.35 0.58 0.02 0.00 0.00 177.57 178.27 2j4e h VAL 24 N 1.09 1.28 0.06 2.57 2.07 -1.26 -2.18 116.25 119.88 2j4e h VAL 24 Ca 0.23 -1.34 -0.18 0.00 0.82 0.00 0.00 66.70 66.23 2j4e h VAL 24 Cb 0.36 1.60 0.02 0.00 -1.52 0.00 0.00 31.29 31.75 2j4e h VAL 24 CO -0.00 0.40 -0.73 1.56 0.02 0.00 0.00 177.57 178.82 2j4e h GLN 25 N 0.16 0.39 0.91 1.57 4.20 -1.12 -3.37 115.11 117.84 2j4e h GLN 25 Ca 0.02 -0.50 -0.04 0.00 0.06 0.00 0.00 58.65 58.19 2j4e h GLN 25 Cb 0.70 0.16 0.01 0.00 0.30 0.00 0.00 27.48 28.65 2j4e h GLN 25 CO 0.05 1.18 -0.44 0.82 -0.67 0.00 0.00 178.83 179.77 2j4e h ILE 26 N -0.17 0.00 -2.67 2.54 2.04 -1.19 -3.36 117.51 114.69 2j4e h ILE 26 Ca -0.11 -0.08 -0.53 0.00 1.00 0.00 0.00 64.86 65.14 2j4e h ILE 26 Cb 1.48 0.00 0.04 0.00 -0.74 0.00 0.00 36.82 37.60 2j4e h ILE 26 CO 0.14 0.00 1.01 -0.76 0.00 0.00 0.00 178.15 178.54 2j4e s LEU 27 N -9.72 4.38 0.00 1.44 1.43 -0.82 -4.98 118.68 110.41 2j4e s LEU 27 Ca -0.18 2.68 0.00 0.00 -1.03 0.00 0.00 54.13 55.60 2j4e s LEU 27 Cb 0.02 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.66 2j4e s LEU 27 CO 0.53 -0.93 0.00 0.61 0.23 0.00 0.00 176.35 176.80 2j4e n GLY 28 N 4.01 0.48 1.05 -3.19 0.00 -1.26 -4.58 105.19 101.70 2j4e n GLY 28 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 2j4e n GLY 28 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2j4e n ASP 29 N 0.00 2.39 -1.41 1.61 8.00 -1.26 -4.67 116.55 121.20 2j4e n ASP 29 Ca 0.00 -3.77 0.01 0.00 0.71 0.00 0.00 54.79 51.74 2j4e n ASP 29 Cb 0.00 -0.61 0.27 0.00 -0.02 0.00 0.00 41.12 40.76 2j4e n ASP 29 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2j4e n LYS 30 N -1.11 3.11 -4.13 -1.24 5.02 -1.26 -4.93 118.16 113.62 2j4e n LYS 30 Ca 0.30 -3.02 -0.34 0.00 -2.02 0.00 0.00 58.31 53.23 2j4e n LYS 30 Cb 0.97 -2.00 -0.15 0.00 -0.02 0.00 0.00 35.03 33.83 2j4e n LYS 30 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2j4e s PHE 31 N -2.97 2.85 -0.18 2.13 5.36 -1.26 -5.02 117.98 118.89 2j4e s PHE 31 Ca 0.48 -1.22 0.26 0.00 -0.96 0.00 0.00 56.93 55.50 2j4e s PHE 31 Cb 0.40 -1.99 1.26 0.00 -0.34 0.00 0.00 43.02 42.35 2j4e s PHE 31 CO 0.09 -0.62 1.80 -1.00 -1.46 0.00 0.00 175.22 174.03 2j4e h PRO 32 N 7.86 0.00 -6.23 10.12 0.13 -1.98 -3.43 132.00 138.47 2j4e h PRO 32 Ca -0.41 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.24 2j4e h PRO 32 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2j4e h PRO 32 CO 0.61 0.00 -0.36 0.00 -0.23 0.00 0.00 178.00 178.02 2j4e s THR 34 N -2.43 4.49 -0.14 0.00 2.01 -0.75 -4.95 115.64 113.87 2j4e s THR 34 Ca 0.49 -0.19 -0.15 0.00 0.31 0.00 0.00 61.69 62.14 2j4e s THR 34 Cb -0.05 -3.15 -0.05 0.00 0.01 0.00 0.00 72.50 69.27 2j4e s THR 34 CO 0.29 0.27 0.36 -0.76 -0.69 0.00 0.00 174.62 174.08 2j4e s LEU 35 N 1.63 4.27 -0.12 4.42 1.43 -1.26 -0.11 118.68 128.94 2j4e s LEU 35 Ca 0.06 0.62 -0.00 0.00 -1.03 0.00 0.00 54.13 53.78 2j4e s LEU 35 Cb -0.16 -2.48 0.03 0.00 0.03 0.00 0.00 46.19 43.61 2j4e s LEU 35 CO 0.05 0.08 -0.07 -0.69 0.23 0.00 0.00 176.35 175.95 2j4e s VAL 36 N 0.43 1.02 0.27 -1.59 1.01 -0.95 -4.97 120.40 115.62 2j4e s VAL 36 Ca 0.20 -0.32 -0.29 0.00 0.00 0.00 0.00 61.98 61.57 2j4e s VAL 36 Cb -0.14 -1.06 -0.09 0.00 0.00 0.00 0.00 36.38 35.09 2j4e s VAL 36 CO 0.06 0.34 1.02 0.00 0.00 0.00 0.00 175.10 176.51 2j4e s ALA 37 N 1.71 3.35 -0.02 5.51 0.00 -1.26 -1.03 121.76 130.01 2j4e s ALA 37 Ca 0.04 0.74 0.01 0.00 0.00 0.00 0.00 51.96 52.76 2j4e s ALA 37 Cb -0.13 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.74 2j4e s ALA 37 CO -0.08 0.02 -0.04 -1.14 0.00 0.00 0.00 175.76 174.53 2j4e s GLN 38 N -1.42 0.51 -0.55 0.00 0.74 -0.68 -4.88 119.66 113.39 2j4e s GLN 38 Ca 0.44 -0.10 -0.21 0.00 0.05 0.00 0.00 55.36 55.54 2j4e s GLN 38 Cb -0.28 -0.55 0.06 0.00 1.10 0.00 0.00 33.01 33.34 2j4e s GLN 38 CO 0.35 -0.00 0.75 0.21 -0.55 0.00 0.00 175.29 176.05 2j4e s LYS 39 N 0.44 3.16 -0.06 1.67 2.20 -1.26 -2.77 119.74 123.12 2j4e s LYS 39 Ca -0.05 -0.80 0.02 0.00 -0.36 0.00 0.00 55.97 54.78 2j4e s LYS 39 Cb -0.08 -4.13 0.01 0.00 -1.51 0.00 0.00 37.83 32.12 2j4e s LYS 39 CO -0.00 -1.40 -0.11 0.42 -0.36 0.00 0.00 175.35 173.90 2j4e s ILE 40 N 3.11 1.05 -0.73 5.43 1.01 -1.25 -5.00 121.20 124.82 2j4e s ILE 40 Ca 0.19 -0.43 -0.26 0.00 0.00 0.00 0.00 60.65 60.15 2j4e s ILE 40 Cb -0.18 -0.97 0.04 0.00 0.01 0.00 0.00 42.46 41.35 2j4e s ILE 40 CO 0.13 0.34 1.23 -0.62 0.00 0.00 0.00 174.94 176.02 2j4e s ASP 41 N 0.70 6.17 0.09 3.58 3.68 -1.26 -4.17 116.67 125.47 2j4e s ASP 41 Ca -0.14 -0.56 -0.24 0.00 2.13 0.00 0.00 52.55 53.75 2j4e s ASP 41 Cb -0.16 -2.54 -0.07 0.00 -1.45 0.00 0.00 42.92 38.71 2j4e s ASP 41 CO 0.03 -1.77 0.72 -0.76 0.13 0.00 0.00 175.17 173.52 2j4e s LEU 42 N 5.46 4.52 0.27 -1.34 1.43 -1.26 -5.05 118.68 122.70 2j4e s LEU 42 Ca 0.33 1.47 -0.29 0.00 -1.03 0.00 0.00 54.13 54.61 2j4e s LEU 42 Cb -0.09 -3.17 -0.09 0.00 0.03 0.00 0.00 46.19 42.87 2j4e s LEU 42 CO 0.14 0.15 0.99 -2.16 0.23 0.00 0.00 176.35 175.69 2j4e s PRO 43 N -0.70 4.75 -0.04 1.29 0.04 -1.26 -5.05 135.00 134.03 2j4e s PRO 43 Ca 0.35 1.56 0.07 0.00 0.04 0.00 0.00 61.00 63.01 2j4e s PRO 43 Cb -0.21 -3.18 -0.01 0.00 0.04 0.00 0.00 34.50 31.14 2j4e s PRO 43 CO 0.23 0.39 -0.24 -1.21 0.04 0.00 0.00 177.00 176.21 2j4e s GLU 44 N -1.39 2.15 0.79 4.56 2.02 -1.26 -4.80 118.70 120.77 2j4e s GLU 44 Ca 0.44 -0.85 -0.11 0.00 0.02 0.00 0.00 54.97 54.46 2j4e s GLU 44 Cb -0.27 -1.95 0.07 0.00 0.10 0.00 0.00 34.13 32.08 2j4e s GLU 44 CO 0.33 0.44 1.09 0.71 0.02 0.00 0.00 175.26 177.85 2j4e s TYR 45 N -0.35 2.72 0.22 1.61 2.02 -1.26 -5.06 117.35 117.25 2j4e s TYR 45 Ca 0.03 1.33 -0.17 0.00 -0.37 0.00 0.00 57.07 57.89 2j4e s TYR 45 Cb -0.11 -3.06 -0.08 0.00 -0.40 0.00 0.00 41.96 38.31 2j4e s TYR 45 CO 0.01 -1.80 0.67 -0.65 -1.57 0.00 0.00 175.55 172.21 2j4e s GLN 46 N -5.02 4.11 0.00 -0.62 -0.21 -1.26 -4.88 119.66 111.78 2j4e s GLN 46 Ca 0.61 0.70 0.00 0.00 0.02 0.00 0.00 55.36 56.69 2j4e s GLN 46 Cb -0.16 -2.80 0.00 0.00 1.00 0.00 0.00 33.01 31.05 2j4e s GLN 46 CO 0.55 0.37 0.00 0.41 -2.12 0.00 0.00 175.29 174.50 2j4e n GLY 47 N 0.50 0.21 3.78 3.09 0.00 -1.26 -4.98 105.19 106.54 2j4e n GLY 47 Ca -0.02 -0.59 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 2j4e n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2j4e s GLU 48 N 0.00 3.87 0.34 1.61 0.41 -1.26 -4.93 118.70 118.74 2j4e s GLU 48 Ca 0.00 -0.19 0.14 0.00 -0.41 0.00 0.00 54.97 54.50 2j4e s GLU 48 Cb 0.00 -3.31 1.10 0.00 -1.78 0.00 0.00 34.13 30.14 2j4e s GLU 48 CO 0.00 0.49 1.61 -1.35 -0.49 0.00 0.00 175.26 175.52 2j4e h PRO 49 N 5.98 0.11 0.28 0.39 0.11 -1.99 0.11 132.00 136.99 2j4e h PRO 49 Ca -0.46 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2j4e h PRO 49 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2j4e h PRO 49 CO 0.68 0.07 -0.13 -0.44 -0.21 0.00 0.00 178.00 177.97 2j4e h ASP 50 N 0.11 -0.32 0.26 -2.05 5.19 -2.00 -2.87 116.42 114.75 2j4e h ASP 50 Ca 0.74 -0.15 -0.05 0.00 -0.62 0.00 0.00 57.03 56.95 2j4e h ASP 50 Cb 1.78 0.08 -0.01 0.00 0.18 0.00 0.00 39.33 41.36 2j4e h ASP 50 CO -0.74 -0.02 -0.22 -0.08 -3.12 0.00 0.00 179.24 175.06 2j4e h GLU 51 N -0.63 0.00 -0.30 3.56 4.57 -1.28 -1.16 114.58 119.34 2j4e h GLU 51 Ca -0.04 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.01 2j4e h GLU 51 Cb 0.45 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.04 2j4e h GLU 51 CO 0.06 0.22 -0.32 0.82 -1.18 0.00 0.00 179.01 178.62 2j4e h ILE 52 N 0.00 1.30 -0.19 2.32 2.04 -1.06 -2.35 117.51 119.56 2j4e h ILE 52 Ca -0.00 -1.49 -0.06 0.00 1.00 0.00 0.00 64.86 64.30 2j4e h ILE 52 Cb 0.42 1.56 -0.00 0.00 -0.74 0.00 0.00 36.82 38.05 2j4e h ILE 52 CO 0.03 0.48 -0.13 0.28 0.00 0.00 0.00 178.15 178.82 2j4e h SER 53 N 0.51 0.44 -0.29 1.72 0.02 -1.20 0.29 113.55 115.05 2j4e h SER 53 Ca 0.05 -0.44 0.07 0.00 -0.84 0.00 0.00 61.79 60.63 2j4e h SER 53 Cb 0.90 -0.12 -0.07 0.00 0.14 0.00 0.00 62.40 63.24 2j4e h SER 53 CO 0.08 0.78 -0.21 0.40 -1.14 0.00 0.00 176.83 176.74 2j4e h ILE 54 N 0.10 0.43 -0.30 3.27 2.04 -1.27 -0.71 117.51 121.06 2j4e h ILE 54 Ca 0.04 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.84 2j4e h ILE 54 Cb 0.63 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 2j4e h ILE 54 CO 0.03 0.00 -0.03 1.56 0.00 0.00 0.00 178.15 179.71 2j4e h GLN 55 N -0.19 0.56 -0.95 2.37 1.08 -1.35 -2.38 115.11 114.24 2j4e h GLN 55 Ca 0.15 -0.20 0.16 0.00 -1.45 0.00 0.00 58.65 57.32 2j4e h GLN 55 Cb 0.43 -0.04 -0.08 0.00 -0.05 0.00 0.00 27.48 27.74 2j4e h GLN 55 CO -0.40 0.72 0.60 -0.22 -0.95 0.00 0.00 178.83 178.58 2j4e h LYS 56 N 0.34 0.70 -0.24 1.46 3.64 -0.71 -0.75 116.57 121.00 2j4e h LYS 56 Ca 0.08 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.24 2j4e h LYS 56 Cb 0.50 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2j4e h LYS 56 CO 0.02 0.46 -0.56 0.00 -2.27 0.00 0.00 179.45 177.10 2j4e h GLN 58 N 0.56 0.79 -0.75 0.00 4.20 -0.87 -1.15 115.11 117.90 2j4e h GLN 58 Ca -0.00 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.53 2j4e h GLN 58 Cb 1.17 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.80 2j4e h GLN 58 CO 0.12 0.71 0.37 1.49 -0.67 0.00 0.00 178.83 180.86 2j4e h GLU 59 N 0.77 1.08 -0.21 1.46 4.57 -1.09 -1.98 114.58 119.19 2j4e h GLU 59 Ca 0.17 -0.15 -0.17 0.00 -1.18 0.00 0.00 59.36 58.03 2j4e h GLU 59 Cb 0.27 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 28.66 2j4e h GLU 59 CO -0.00 0.83 -0.57 0.00 -1.18 0.00 0.00 179.01 178.09 2j4e h ALA 60 N 1.19 0.61 -0.66 2.92 0.00 -1.10 -2.86 119.26 119.36 2j4e h ALA 60 Ca 0.26 -0.52 0.07 0.00 0.00 0.00 0.00 54.91 54.72 2j4e h ALA 60 Cb 0.10 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 2j4e h ALA 60 CO -0.03 0.69 0.34 0.28 0.00 0.00 0.00 179.25 180.52 2j4e h VAL 61 N 0.49 0.90 0.00 0.00 2.07 -1.05 0.51 116.25 119.17 2j4e h VAL 61 Ca 0.01 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2j4e h VAL 61 Cb 1.13 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2j4e h VAL 61 CO 0.11 0.11 -0.07 0.03 0.02 0.00 0.00 177.57 177.77 2j4e h ARG 62 N 0.61 0.00 0.00 1.57 3.08 -1.19 -2.66 114.38 115.79 2j4e h ARG 62 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 2j4e h ARG 62 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2j4e h ARG 62 CO -0.22 0.07 -1.56 1.04 -1.07 0.00 0.00 179.97 178.23 2j4e n GLN 63 N -4.26 0.72 -0.00 0.04 6.02 -0.60 -4.73 117.38 114.56 2j4e n GLN 63 Ca -0.03 -0.12 0.01 0.00 -0.01 0.00 0.00 57.00 56.85 2j4e n GLN 63 Cb 0.15 -1.41 -0.02 0.00 1.02 0.00 0.00 30.24 29.98 2j4e n GLN 63 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2j4e n VAL 64 N -1.93 0.03 0.00 5.09 0.31 0.17 -5.07 118.33 116.92 2j4e n VAL 64 Ca -0.01 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 2j4e n VAL 64 Cb 0.42 0.23 0.00 0.00 -0.91 0.00 0.00 33.84 33.58 2j4e n VAL 64 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2j4e n GLN 65 N -1.68 0.00 0.00 5.55 -0.06 -1.01 -4.94 117.38 115.24 2j4e n GLN 65 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.99 2j4e n GLN 65 Cb 0.16 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.34 2j4e n GLN 65 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2j4e n GLY 66 N 0.00 -0.98 3.75 1.69 0.00 -1.26 -4.31 105.19 104.07 2j4e n GLY 66 Ca 0.00 -1.55 -0.40 0.00 0.00 0.00 0.00 46.02 44.07 2j4e n GLY 66 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2j4e n PRO 67 N 0.00 2.04 -3.78 1.61 -0.02 -1.03 -2.98 135.00 130.83 2j4e n PRO 67 Ca 0.00 0.73 -0.13 0.00 -2.02 0.00 0.00 63.50 62.08 2j4e n PRO 67 Cb 0.00 -2.58 -0.13 0.00 -0.02 0.00 0.00 33.50 30.78 2j4e n PRO 67 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2j4e s VAL 68 N -1.22 -0.02 -0.05 -1.45 1.01 -1.04 -1.96 120.40 115.67 2j4e s VAL 68 Ca 0.64 0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.72 2j4e s VAL 68 Cb -0.45 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 2j4e s VAL 68 CO 0.55 0.02 -0.18 -0.22 0.00 0.00 0.00 175.10 175.28 2j4e s LEU 69 N 0.50 2.52 0.38 3.92 2.96 0.86 -1.40 118.68 128.41 2j4e s LEU 69 Ca -0.03 -0.30 0.04 0.00 -0.22 0.00 0.00 54.13 53.62 2j4e s LEU 69 Cb -0.05 -1.49 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 2j4e s LEU 69 CO -0.02 0.32 0.14 0.68 -1.32 0.00 0.00 176.35 176.15 2j4e s VAL 70 N -0.56 0.53 -0.10 1.68 -7.23 -0.62 -1.54 120.40 112.55 2j4e s VAL 70 Ca 0.08 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.01 2j4e s VAL 70 Cb -0.11 -2.43 0.06 0.00 0.56 0.00 0.00 36.38 34.46 2j4e s VAL 70 CO 0.01 0.00 0.58 -1.83 -0.31 0.00 0.00 175.10 173.54 2j4e s GLU 71 N -3.72 0.85 -0.11 4.82 4.04 -1.26 -1.87 118.70 121.45 2j4e s GLU 71 Ca 0.29 0.37 -0.01 0.00 0.04 0.00 0.00 54.97 55.65 2j4e s GLU 71 Cb 0.03 0.40 0.03 0.00 0.02 0.00 0.00 34.13 34.62 2j4e s GLU 71 CO 0.16 -0.21 -0.01 -0.51 -1.84 0.00 0.00 175.26 172.85 2j4e s ASP 72 N -0.69 2.07 0.03 0.83 -0.00 -0.09 -5.01 116.67 113.81 2j4e s ASP 72 Ca -0.08 -0.32 -0.03 0.00 -0.00 0.00 0.00 52.55 52.12 2j4e s ASP 72 Cb -0.03 -0.60 -0.04 0.00 -0.00 0.00 0.00 42.92 42.25 2j4e s ASP 72 CO 0.06 -0.20 0.23 -0.89 -0.00 0.00 0.00 175.17 174.37 2j4e s THR 73 N 1.86 5.37 0.10 -1.27 2.01 -1.26 -1.84 115.64 120.61 2j4e s THR 73 Ca 0.04 -0.12 0.06 0.00 0.31 0.00 0.00 61.69 61.98 2j4e s THR 73 Cb -0.13 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 2j4e s THR 73 CO -0.07 0.26 -0.16 0.00 -0.69 0.00 0.00 174.62 173.97 2j4e s LEU 75 N -2.13 1.73 -0.21 0.00 2.96 -1.20 -1.95 118.68 117.88 2j4e s LEU 75 Ca 0.05 -0.53 0.02 0.00 -0.22 0.00 0.00 54.13 53.45 2j4e s LEU 75 Cb -0.08 -1.16 0.04 0.00 0.50 0.00 0.00 46.19 45.49 2j4e s LEU 75 CO 0.03 -0.08 -0.15 0.00 -1.32 0.00 0.00 176.35 174.83 2j4e s PHE 77 N 1.24 3.18 0.40 0.00 0.08 0.16 -1.17 117.98 121.87 2j4e s PHE 77 Ca -0.01 0.41 0.09 0.00 0.12 0.00 0.00 56.93 57.54 2j4e s PHE 77 Cb -0.16 -3.03 0.87 0.00 -0.57 0.00 0.00 43.02 40.13 2j4e s PHE 77 CO -0.09 -0.54 1.98 -0.91 -0.10 0.00 0.00 175.22 175.55 2j4e h ASN 78 N 8.35 0.52 0.06 1.36 -0.26 -1.77 -0.66 115.58 123.19 2j4e h ASN 78 Ca -0.27 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.47 2j4e h ASN 78 Cb 1.12 -0.11 -0.00 0.00 -1.06 0.00 0.00 38.32 38.27 2j4e h ASN 78 CO 0.81 0.34 -0.04 0.00 -1.06 0.00 0.00 177.43 177.47 2j4e h ALA 79 N 1.66 1.71 -0.68 -0.83 0.00 -1.78 -1.91 119.26 117.43 2j4e h ALA 79 Ca 0.28 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.98 2j4e h ALA 79 Cb 0.33 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.01 2j4e h ALA 79 CO -0.09 0.05 0.21 1.28 0.00 0.00 0.00 179.25 180.70 2j4e n LEU 80 N -4.16 5.86 -2.41 0.00 4.77 -0.34 -4.93 117.00 115.79 2j4e n LEU 80 Ca -0.03 -3.20 -0.20 0.00 -0.03 0.00 0.00 56.01 52.55 2j4e n LEU 80 Cb 0.12 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 2j4e n LEU 80 CO 0.32 0.80 -0.17 0.61 -1.33 0.00 0.00 177.39 177.61 2j4e n GLY 81 N -0.12 -0.43 0.22 -0.72 0.00 -0.72 -2.61 105.19 100.81 2j4e n GLY 81 Ca 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2j4e n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j4e n GLY 82 N -1.17 0.33 3.88 -0.02 0.00 -0.66 -5.00 105.19 102.56 2j4e n GLY 82 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 2j4e n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2j4e s LEU 83 N 0.00 2.97 0.47 0.99 1.43 -1.07 -2.61 118.68 120.86 2j4e s LEU 83 Ca 0.00 1.14 0.32 0.00 -1.03 0.00 0.00 54.13 54.56 2j4e s LEU 83 Cb 0.00 -3.97 1.54 0.00 0.03 0.00 0.00 46.19 43.79 2j4e s LEU 83 CO 0.00 -1.25 1.97 1.55 0.23 0.00 0.00 176.35 178.84 2j4e h PRO 84 N -0.57 0.00 0.00 1.29 0.13 -1.89 0.47 132.00 131.44 2j4e h PRO 84 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2j4e h PRO 84 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2j4e h PRO 84 CO 0.63 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.81 2j4e n GLY 85 N -0.56 2.95 0.00 1.56 0.00 0.45 -0.63 105.19 108.96 2j4e n GLY 85 Ca -0.00 0.30 0.07 0.00 0.00 0.00 0.00 46.02 46.38 2j4e n GLY 85 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2j4e n PRO 86 N 10.94 0.22 -0.64 1.61 -0.04 -1.26 -1.66 135.00 144.17 2j4e n PRO 86 Ca 0.00 0.14 0.06 0.00 -0.04 0.00 0.00 63.50 63.66 2j4e n PRO 86 Cb 0.00 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.26 2j4e n PRO 86 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2j4e n TYR 87 N -1.27 1.39 -0.15 0.54 4.01 0.20 -4.67 117.16 117.21 2j4e n TYR 87 Ca 0.07 -0.91 0.02 0.00 -0.16 0.00 0.00 57.90 56.93 2j4e n TYR 87 Cb 0.11 -0.41 0.31 0.00 -0.31 0.00 0.00 39.34 39.05 2j4e n TYR 87 CO 0.00 0.00 0.00 0.97 -0.46 0.00 0.00 176.86 177.37 2j4e h ILE 88 N 2.41 1.14 -0.79 -0.72 6.09 -1.42 -2.66 117.51 121.56 2j4e h ILE 88 Ca 0.04 -0.29 0.14 0.00 -1.37 0.00 0.00 64.86 63.37 2j4e h ILE 88 Cb 1.68 0.22 -0.09 0.00 0.47 0.00 0.00 36.82 39.10 2j4e h ILE 88 CO 0.35 0.15 0.37 0.50 -3.07 0.00 0.00 178.15 176.46 2j4e h LYS 89 N 0.85 0.54 0.12 2.19 3.64 -1.85 -0.82 116.57 121.24 2j4e h LYS 89 Ca 0.25 -0.03 -0.27 0.00 -1.27 0.00 0.00 60.65 59.32 2j4e h LYS 89 Cb -0.05 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 2j4e h LYS 89 CO -0.06 0.36 -1.22 -1.49 -2.27 0.00 0.00 179.45 174.77 2j4e h TRP 90 N 0.56 0.50 -0.06 1.91 4.06 -1.85 -2.09 115.95 118.98 2j4e h TRP 90 Ca 0.43 -0.36 -0.03 0.00 2.06 0.00 0.00 58.89 60.99 2j4e h TRP 90 Cb 0.59 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 28.73 2j4e h TRP 90 CO -0.12 1.27 -0.06 0.74 -3.56 0.00 0.00 178.44 176.71 2j4e h PHE 91 N 0.08 0.18 -0.96 0.49 0.04 -1.47 -3.05 116.94 112.26 2j4e h PHE 91 Ca -0.13 -0.05 0.17 0.00 2.80 0.00 0.00 57.97 60.76 2j4e h PHE 91 Cb 1.94 -0.04 -0.09 0.00 2.20 0.00 0.00 35.95 39.97 2j4e h PHE 91 CO 0.06 0.60 0.61 1.25 -0.60 0.00 0.00 178.31 180.23 2j4e h LEU 92 N -0.29 0.70 -0.41 1.54 5.85 -1.19 0.28 115.31 121.81 2j4e h LEU 92 Ca 0.01 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 2j4e h LEU 92 Cb 0.57 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 2j4e h LEU 92 CO 0.02 0.30 0.19 -0.08 -0.34 0.00 0.00 178.44 178.53 2j4e h GLU 93 N 0.71 0.58 0.15 1.25 4.81 -1.29 -1.20 114.58 119.60 2j4e h GLU 93 Ca 0.52 -0.09 -0.32 0.00 -0.13 0.00 0.00 59.36 59.34 2j4e h GLU 93 Cb 0.85 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.13 2j4e h GLU 93 CO -0.28 0.51 -1.58 0.87 -0.73 0.00 0.00 179.01 177.80 2j4e h LYS 94 N 0.51 0.32 0.00 1.92 1.79 -1.35 -3.40 116.57 116.37 2j4e h LYS 94 Ca 0.14 -0.55 -0.28 0.00 -2.18 0.00 0.00 60.65 57.79 2j4e h LYS 94 Cb 0.12 0.20 -0.05 0.00 -1.58 0.00 0.00 32.23 30.93 2j4e h LYS 94 CO -0.02 1.21 -1.93 1.28 -1.08 0.00 0.00 179.45 178.91 2j4e n LEU 95 N -3.52 0.48 -1.08 2.94 4.77 0.95 -5.03 117.00 116.51 2j4e n LEU 95 Ca -0.18 0.22 0.14 0.00 -0.03 0.00 0.00 56.01 56.16 2j4e n LEU 95 Cb 1.06 0.26 -0.05 0.00 -2.33 0.00 0.00 43.42 42.36 2j4e n LEU 95 CO 0.52 0.35 -0.32 0.29 -1.33 0.00 0.00 177.39 176.91 2j4e n LYS 96 N -2.85 -2.31 -0.22 3.23 4.76 -0.45 -1.39 118.16 118.93 2j4e n LYS 96 Ca -0.21 1.69 0.01 0.00 -2.87 0.00 0.00 58.31 56.94 2j4e n LYS 96 Cb 1.02 -2.76 0.13 0.00 -1.84 0.00 0.00 35.03 31.57 2j4e n LYS 96 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 2j4e h PRO 97 N -1.03 0.38 -0.50 1.97 0.11 -1.84 -1.01 132.00 130.08 2j4e h PRO 97 Ca -0.05 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 66.14 2j4e h PRO 97 Cb 1.01 -0.09 -0.09 0.00 0.11 0.00 0.00 31.00 31.94 2j4e h PRO 97 CO 0.03 0.25 -0.04 0.93 -0.21 0.00 0.00 178.00 178.97 2j4e h GLU 98 N 0.40 0.08 -0.45 1.05 4.39 -1.95 -1.88 114.58 116.21 2j4e h GLU 98 Ca 0.33 -0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.92 2j4e h GLU 98 Cb 0.45 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 2j4e h GLU 98 CO -0.34 0.05 -0.15 0.78 -1.16 0.00 0.00 179.01 178.18 2j4e h GLY 99 N 0.08 0.92 1.16 -3.84 0.00 -0.92 0.13 103.07 100.60 2j4e h GLY 99 Ca 0.25 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 2j4e h GLY 99 CO -0.45 0.68 0.47 1.41 0.00 0.00 0.00 176.54 178.64 2j4e h LEU 100 N 0.75 0.98 -0.35 3.11 3.38 -0.70 0.19 115.31 122.67 2j4e h LEU 100 Ca 0.12 -0.07 -0.19 0.00 0.09 0.00 0.00 57.88 57.83 2j4e h LEU 100 Cb 0.67 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 2j4e h LEU 100 CO 0.05 0.77 -0.73 -0.74 0.09 0.00 0.00 178.44 177.87 2j4e h HIS 101 N 1.12 0.67 -0.66 1.13 2.76 -1.20 -3.07 115.15 115.89 2j4e h HIS 101 Ca 0.29 -0.29 0.05 0.00 -2.20 0.00 0.00 60.37 58.21 2j4e h HIS 101 Cb -0.02 -0.10 -0.04 0.00 1.55 0.00 0.00 27.41 28.80 2j4e h HIS 101 CO 0.01 1.06 0.43 1.96 -1.30 0.00 0.00 177.93 180.09 2j4e h GLN 102 N 0.34 0.70 0.00 5.26 4.20 -0.43 -2.98 115.11 122.19 2j4e h GLN 102 Ca -0.03 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2j4e h GLN 102 Cb 1.32 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.94 2j4e h GLN 102 CO 0.13 0.46 0.09 1.25 -0.67 0.00 0.00 178.83 180.09 2j4e h LEU 103 N 0.72 0.00 -3.18 1.46 5.85 -0.87 0.14 115.31 119.43 2j4e h LEU 103 Ca 0.27 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.99 2j4e h LEU 103 Cb 0.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.20 2j4e h LEU 103 CO -0.08 0.00 0.00 0.18 -0.34 0.00 0.00 178.44 178.20 2j4e n LEU 104 N -2.99 4.00 -0.17 2.25 4.77 -1.13 -4.71 117.00 119.03 2j4e n LEU 104 Ca -0.03 -2.67 0.13 0.00 -0.03 0.00 0.00 56.01 53.41 2j4e n LEU 104 Cb 0.15 -0.49 0.47 0.00 -2.33 0.00 0.00 43.42 41.22 2j4e n LEU 104 CO 0.18 0.71 1.21 0.00 -1.33 0.00 0.00 177.39 178.15 2j4e h ALA 105 N 2.47 2.01 -0.11 -1.18 0.00 -0.81 -1.35 119.26 120.29 2j4e h ALA 105 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2j4e h ALA 105 Cb 1.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2j4e h ALA 105 CO 0.20 -0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2j4e n GLY 106 N -1.50 0.58 3.49 0.00 0.00 -1.26 -4.90 105.19 101.60 2j4e n GLY 106 Ca 0.14 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 2j4e n GLY 106 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2j4e s PHE 107 N -1.88 2.94 0.21 1.61 0.08 -0.51 -5.01 117.98 115.42 2j4e s PHE 107 Ca 0.34 -0.29 -0.09 0.00 0.12 0.00 0.00 56.93 57.01 2j4e s PHE 107 Cb 0.20 -1.86 0.16 0.00 -0.57 0.00 0.00 43.02 40.95 2j4e s PHE 107 CO 0.31 0.03 1.82 0.93 -0.10 0.00 0.00 175.22 178.20 2j4e h GLU 108 N 6.27 1.11 -6.17 0.44 5.08 -1.90 -3.42 114.58 115.99 2j4e h GLU 108 Ca -0.35 -0.14 -0.59 0.00 -1.00 0.00 0.00 59.36 57.28 2j4e h GLU 108 Cb 1.19 -0.21 -0.08 0.00 0.50 0.00 0.00 28.75 30.15 2j4e h GLU 108 CO 0.58 0.84 0.68 0.34 -1.00 0.00 0.00 179.01 180.45 2j4e s ASP 109 N -6.15 6.76 0.00 1.42 -1.08 -1.26 -4.88 116.67 111.47 2j4e s ASP 109 Ca -0.13 0.73 0.16 0.00 -0.52 0.00 0.00 52.55 52.79 2j4e s ASP 109 Cb 0.15 -2.49 0.12 0.00 -1.46 0.00 0.00 42.92 39.24 2j4e s ASP 109 CO 0.81 -0.87 0.99 0.29 0.52 0.00 0.00 175.17 176.92 2j4e n LYS 110 N 6.82 1.26 -1.34 4.34 4.76 -1.26 -4.33 118.16 128.40 2j4e n LYS 110 Ca 0.09 -1.41 -0.31 0.00 -2.87 0.00 0.00 58.31 53.81 2j4e n LYS 110 Cb 0.48 -1.30 0.08 0.00 -1.84 0.00 0.00 35.03 32.45 2j4e n LYS 110 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2j4e s SER 111 N -1.37 4.73 0.30 4.39 1.04 -1.26 -0.53 113.70 121.00 2j4e s SER 111 Ca 0.18 1.77 -0.20 0.00 0.48 0.00 0.00 55.95 58.19 2j4e s SER 111 Cb 0.13 -2.52 0.03 0.00 0.10 0.00 0.00 66.02 63.77 2j4e s SER 111 CO 0.21 -1.89 0.74 0.00 0.98 0.00 0.00 173.24 173.29 2j4e s ALA 112 N -2.93 -1.12 -0.00 5.32 0.00 -0.68 -2.44 121.76 119.91 2j4e s ALA 112 Ca 0.60 -0.41 0.03 0.00 0.00 0.00 0.00 51.96 52.19 2j4e s ALA 112 Cb -0.16 0.80 -0.01 0.00 0.00 0.00 0.00 23.12 23.75 2j4e s ALA 112 CO 0.56 -1.03 -0.10 1.52 0.00 0.00 0.00 175.76 176.71 2j4e s TYR 113 N -3.52 0.86 -0.17 0.00 -0.85 -0.31 -1.40 117.35 111.96 2j4e s TYR 113 Ca 0.12 -0.19 -0.18 0.00 -0.52 0.00 0.00 57.07 56.30 2j4e s TYR 113 Cb -0.06 -0.55 -0.04 0.00 0.38 0.00 0.00 41.96 41.70 2j4e s TYR 113 CO 0.08 -0.01 0.50 0.00 -1.52 0.00 0.00 175.55 174.60 2j4e s ALA 114 N -0.32 3.52 -0.14 9.51 0.00 0.89 -1.36 121.76 133.87 2j4e s ALA 114 Ca 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.66 2j4e s ALA 114 Cb -0.04 -2.76 -0.01 0.00 0.00 0.00 0.00 23.12 20.31 2j4e s ALA 114 CO -0.00 -0.30 -0.15 -1.17 0.00 0.00 0.00 175.76 174.14 2j4e s LEU 115 N 1.31 2.58 -0.15 0.00 2.96 -0.82 -0.15 118.68 124.41 2j4e s LEU 115 Ca 0.25 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.77 2j4e s LEU 115 Cb -0.15 -1.58 0.02 0.00 0.50 0.00 0.00 46.19 44.97 2j4e s LEU 115 CO 0.10 0.13 -0.19 0.00 -1.32 0.00 0.00 176.35 175.07 2j4e s THR 117 N 1.13 1.66 0.22 0.00 2.01 -0.77 -0.67 115.64 119.22 2j4e s THR 117 Ca -0.01 -0.85 -0.07 0.00 0.31 0.00 0.00 61.69 61.07 2j4e s THR 117 Cb -0.14 -1.64 -0.06 0.00 0.01 0.00 0.00 72.50 70.67 2j4e s THR 117 CO -0.07 0.33 0.50 -0.36 -0.69 0.00 0.00 174.62 174.33 2j4e s PHE 118 N 1.42 3.45 -0.06 4.92 0.08 0.34 -0.91 117.98 127.22 2j4e s PHE 118 Ca 0.02 0.75 -0.01 0.00 0.12 0.00 0.00 56.93 57.80 2j4e s PHE 118 Cb -0.14 -2.16 0.03 0.00 -0.57 0.00 0.00 43.02 40.17 2j4e s PHE 118 CO -0.10 0.30 0.02 0.00 -0.10 0.00 0.00 175.22 175.34 2j4e s ALA 119 N -1.82 0.51 -0.02 5.36 0.00 -0.78 -0.78 121.76 124.23 2j4e s ALA 119 Ca 0.45 0.00 0.05 0.00 0.00 0.00 0.00 51.96 52.46 2j4e s ALA 119 Cb -0.11 -0.66 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 2j4e s ALA 119 CO 0.24 -0.42 -0.16 -1.17 0.00 0.00 0.00 175.76 174.25 2j4e s LEU 120 N 1.93 2.68 0.22 0.00 2.96 -0.35 -1.59 118.68 124.52 2j4e s LEU 120 Ca 0.03 -0.27 0.02 0.00 -0.22 0.00 0.00 54.13 53.69 2j4e s LEU 120 Cb -0.12 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 44.97 2j4e s LEU 120 CO -0.04 0.32 0.05 -0.55 -1.32 0.00 0.00 176.35 174.80 2j4e s SER 121 N -0.96 1.21 0.05 3.68 0.15 -0.49 -1.51 113.70 115.83 2j4e s SER 121 Ca 0.13 -1.28 -0.09 0.00 0.70 0.00 0.00 55.95 55.41 2j4e s SER 121 Cb -0.11 0.14 -0.32 0.00 -1.71 0.00 0.00 66.02 64.03 2j4e s SER 121 CO 0.02 -0.64 1.04 0.71 1.20 0.00 0.00 173.24 175.57 2j4e h THR 122 N 2.54 1.36 -3.22 6.45 1.35 -1.87 -2.75 112.91 116.77 2j4e h THR 122 Ca -0.37 -2.87 -0.66 0.00 -0.55 0.00 0.00 66.41 61.96 2j4e h THR 122 Cb 1.23 2.97 -0.39 0.00 -1.73 0.00 0.00 68.15 70.22 2j4e h THR 122 CO 0.62 0.85 -0.40 -0.83 -0.25 0.00 0.00 175.52 175.51 2j4e s GLY 123 N -4.68 2.92 -0.42 5.82 0.00 -1.16 -2.48 107.32 107.33 2j4e s GLY 123 Ca -0.07 -3.76 -0.23 0.00 0.00 0.00 0.00 44.72 40.66 2j4e s GLY 123 CO 0.91 1.11 0.76 -0.35 0.00 0.00 0.00 173.10 175.54 2j4e s ASP 124 N -0.76 6.44 1.30 1.64 3.68 -1.26 -4.84 116.67 122.87 2j4e s ASP 124 Ca 0.25 0.01 -0.18 0.00 2.13 0.00 0.00 52.55 54.75 2j4e s ASP 124 Cb -0.08 -2.38 0.33 0.00 -1.45 0.00 0.00 42.92 39.34 2j4e s ASP 124 CO -0.13 -0.84 0.98 -2.16 0.13 0.00 0.00 175.17 173.15 2j4e s PRO 125 N 3.17 -1.97 -1.59 4.34 0.04 -1.26 -3.24 135.00 134.48 2j4e s PRO 125 Ca 0.29 0.44 -0.04 0.00 0.04 0.00 0.00 61.00 61.74 2j4e s PRO 125 Cb -0.13 -1.46 0.01 0.00 0.04 0.00 0.00 34.50 32.96 2j4e s PRO 125 CO 0.20 -4.32 0.43 0.43 0.04 0.00 0.00 177.00 173.78 2j4e n SER 126 N -5.28 -5.89 -3.23 6.66 7.64 -1.26 -4.97 113.62 107.29 2j4e n SER 126 Ca 0.08 -0.21 -0.02 0.00 1.01 0.00 0.00 58.87 59.73 2j4e n SER 126 Cb 0.57 -4.80 -0.03 0.00 -1.01 0.00 0.00 64.21 58.94 2j4e n SER 126 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2j4e s GLN 127 N -5.54 0.49 0.72 1.43 -0.44 -1.20 -5.16 119.66 109.96 2j4e s GLN 127 Ca 0.22 0.45 -0.17 0.00 -2.50 0.00 0.00 55.36 53.36 2j4e s GLN 127 Cb -0.10 0.01 -0.14 0.00 -1.64 0.00 0.00 33.01 31.13 2j4e s GLN 127 CO 0.28 -0.95 -0.44 -2.30 0.50 0.00 0.00 175.29 172.37 2j4e n PRO 128 N 5.39 0.00 -3.33 1.67 -0.02 -1.26 -4.79 135.00 132.65 2j4e n PRO 128 Ca 0.02 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.12 2j4e n PRO 128 Cb 0.51 -0.96 -0.06 0.00 -0.02 0.00 0.00 33.50 32.98 2j4e n PRO 128 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2j4e s VAL 129 N -1.92 5.11 -0.21 -1.45 1.01 -1.26 -4.81 120.40 116.87 2j4e s VAL 129 Ca 0.47 0.98 -0.10 0.00 0.00 0.00 0.00 61.98 63.32 2j4e s VAL 129 Cb -0.33 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 2j4e s VAL 129 CO 0.71 0.39 0.13 -0.60 0.00 0.00 0.00 175.10 175.74 2j4e s ARG 130 N 0.16 4.15 -0.12 2.72 3.00 -0.57 -4.93 118.95 123.36 2j4e s ARG 130 Ca 0.26 -0.24 -0.06 0.00 -1.00 0.00 0.00 55.73 54.70 2j4e s ARG 130 Cb -0.16 -3.44 -0.04 0.00 0.00 0.00 0.00 34.95 31.32 2j4e s ARG 130 CO 0.12 0.25 0.09 -0.51 0.00 0.00 0.00 175.30 175.24 2j4e s LEU 131 N 0.51 4.08 -0.17 -0.88 1.43 -1.26 -1.21 118.68 121.18 2j4e s LEU 131 Ca 0.08 0.32 0.01 0.00 -1.03 0.00 0.00 54.13 53.51 2j4e s LEU 131 Cb -0.12 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 44.14 2j4e s LEU 131 CO -0.01 0.37 -0.20 -0.36 0.23 0.00 0.00 176.35 176.38 2j4e s PHE 132 N -0.78 2.70 0.16 0.29 0.08 0.04 -4.98 117.98 115.48 2j4e s PHE 132 Ca 0.13 -1.54 0.05 0.00 0.12 0.00 0.00 56.93 55.69 2j4e s PHE 132 Cb -0.12 -1.87 -0.04 0.00 -0.57 0.00 0.00 43.02 40.43 2j4e s PHE 132 CO 0.03 -0.75 0.14 1.03 -0.10 0.00 0.00 175.22 175.56 2j4e s ARG 133 N 1.20 2.90 -0.24 0.44 0.52 -1.26 -0.51 118.95 122.00 2j4e s ARG 133 Ca 0.02 -0.86 -0.15 0.00 -0.52 0.00 0.00 55.73 54.22 2j4e s ARG 133 Cb -0.14 -2.65 0.07 0.00 0.52 0.00 0.00 34.95 32.76 2j4e s ARG 133 CO -0.10 0.49 0.60 0.20 0.02 0.00 0.00 175.30 176.51 2j4e s GLY 134 N -3.08 -0.52 0.02 -3.53 0.00 0.15 -4.05 107.32 96.30 2j4e s GLY 134 Ca 0.31 2.07 0.05 0.00 0.00 0.00 0.00 44.72 47.15 2j4e s GLY 134 CO 0.23 2.05 -0.16 1.09 0.00 0.00 0.00 173.10 176.32 2j4e s ARG 135 N 1.34 1.17 -0.04 2.90 1.70 -1.26 -0.01 118.95 124.75 2j4e s ARG 135 Ca -0.08 -0.73 0.02 0.00 -0.47 0.00 0.00 55.73 54.47 2j4e s ARG 135 Cb -0.06 -1.18 0.01 0.00 -0.57 0.00 0.00 34.95 33.15 2j4e s ARG 135 CO -0.14 0.31 -0.09 0.99 -1.08 0.00 0.00 175.30 175.28 2j4e s THR 136 N -0.65 0.84 0.12 4.99 2.01 0.79 -4.83 115.64 118.91 2j4e s THR 136 Ca 0.05 -0.34 -0.08 0.00 0.31 0.00 0.00 61.69 61.63 2j4e s THR 136 Cb -0.07 -0.78 -0.06 0.00 0.01 0.00 0.00 72.50 71.60 2j4e s THR 136 CO 0.01 0.28 0.40 -0.44 -0.69 0.00 0.00 174.62 174.18 2j4e s SER 137 N 0.55 6.57 0.00 3.53 0.01 -1.26 -0.07 113.70 123.03 2j4e s SER 137 Ca -0.10 0.71 0.00 0.00 1.31 0.00 0.00 55.95 57.87 2j4e s SER 137 Cb -0.13 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 63.96 2j4e s SER 137 CO 0.02 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.37 2j4e n GLY 138 N 0.46 2.39 3.28 3.44 0.00 -0.49 -0.56 105.19 113.70 2j4e n GLY 138 Ca -0.05 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 2j4e n GLY 138 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2j4e s ARG 139 N 1.99 0.96 -0.27 1.61 1.70 -0.48 -1.69 118.95 122.78 2j4e s ARG 139 Ca 0.00 -0.73 -0.16 0.00 -0.47 0.00 0.00 55.73 54.37 2j4e s ARG 139 Cb 0.00 0.41 -0.03 0.00 -0.57 0.00 0.00 34.95 34.76 2j4e s ARG 139 CO 0.00 -0.35 0.44 0.42 -1.08 0.00 0.00 175.30 174.73 2j4e s ILE 140 N -3.56 5.13 0.49 4.99 -1.09 0.31 -1.00 121.20 126.46 2j4e s ILE 140 Ca 0.02 0.70 0.03 0.00 -2.23 0.00 0.00 60.65 59.17 2j4e s ILE 140 Cb 0.02 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 37.12 2j4e s ILE 140 CO -0.10 0.12 0.04 0.68 -1.23 0.00 0.00 174.94 174.45 2j4e s VAL 141 N 2.18 1.43 0.41 2.92 -7.23 0.64 -4.93 120.40 115.83 2j4e s VAL 141 Ca 0.18 -1.95 -0.26 0.00 -1.81 0.00 0.00 61.98 58.13 2j4e s VAL 141 Cb -0.16 -2.38 -0.10 0.00 0.56 0.00 0.00 36.38 34.31 2j4e s VAL 141 CO 0.10 0.00 1.41 0.00 -0.31 0.00 0.00 175.10 176.29 2j4e n ALA 142 N -1.23 1.94 -1.67 1.32 0.00 -1.26 -4.67 120.51 114.94 2j4e n ALA 142 Ca -0.14 0.29 -0.48 0.00 0.00 0.00 0.00 53.44 53.11 2j4e n ALA 142 Cb 0.67 -2.37 -0.05 0.00 0.00 0.00 0.00 19.45 17.70 2j4e n ALA 142 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2j4e n PRO 143 N 0.11 2.00 -4.38 0.00 -0.02 -1.26 -4.73 135.00 126.72 2j4e n PRO 143 Ca 0.04 0.73 -0.20 0.00 -2.02 0.00 0.00 63.50 62.05 2j4e n PRO 143 Cb 0.40 -2.50 -0.14 0.00 -0.02 0.00 0.00 33.50 31.24 2j4e n PRO 143 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2j4e s ARG 144 N 2.05 0.90 0.00 -0.52 0.52 -0.13 -4.97 118.95 116.80 2j4e s ARG 144 Ca 0.85 -0.64 0.00 0.00 -0.52 0.00 0.00 55.73 55.42 2j4e s ARG 144 Cb -0.73 -0.88 0.00 0.00 0.52 0.00 0.00 34.95 33.85 2j4e s ARG 144 CO 0.45 0.22 0.00 0.41 0.02 0.00 0.00 175.30 176.40 2j4e n GLY 145 N 2.16 1.24 0.28 -3.53 0.00 -1.26 -4.28 105.19 99.80 2j4e n GLY 145 Ca -0.17 -1.63 0.10 0.00 0.00 0.00 0.00 46.02 44.32 2j4e n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j4e s GLN 147 N -2.60 3.25 -0.47 0.00 -0.21 -1.25 -4.93 119.66 113.45 2j4e s GLN 147 Ca 0.14 -0.00 -0.27 0.00 0.02 0.00 0.00 55.36 55.24 2j4e s GLN 147 Cb 0.16 -4.15 -0.04 0.00 1.00 0.00 0.00 33.01 29.99 2j4e s GLN 147 CO 0.66 -2.05 2.10 -0.51 -2.12 0.00 0.00 175.29 173.37 2j4e s ASP 148 N 3.88 5.09 -0.33 5.90 1.01 -1.26 -4.71 116.67 126.25 2j4e s ASP 148 Ca 0.41 0.98 0.01 0.00 0.71 0.00 0.00 52.55 54.65 2j4e s ASP 148 Cb -0.08 -2.52 0.14 0.00 1.01 0.00 0.00 42.92 41.47 2j4e s ASP 148 CO 0.19 -2.40 0.30 0.12 0.21 0.00 0.00 175.17 173.59 2j4e s PHE 149 N 9.77 -0.16 0.00 4.23 5.99 -1.26 -5.11 117.98 131.44 2j4e s PHE 149 Ca 0.85 -0.69 0.00 0.00 0.00 0.00 0.00 56.93 57.08 2j4e s PHE 149 Cb -0.19 -0.55 0.00 0.00 0.00 0.00 0.00 43.02 42.29 2j4e s PHE 149 CO 0.27 -0.92 0.00 0.41 -0.00 0.00 0.00 175.22 174.98 2j4e n GLY 150 N 4.72 2.64 0.28 13.12 0.00 -1.26 -1.65 105.19 123.05 2j4e n GLY 150 Ca 0.04 0.21 0.14 0.00 0.00 0.00 0.00 46.02 46.42 2j4e n GLY 150 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2j4e n TRP 151 N 14.00 0.01 -0.28 1.61 4.27 -1.26 -4.46 117.44 131.34 2j4e n TRP 151 Ca 0.00 -0.01 0.10 0.00 -3.89 0.00 0.00 57.50 53.70 2j4e n TRP 151 Cb 0.00 0.00 0.25 0.00 -1.36 0.00 0.00 31.31 30.20 2j4e n TRP 151 CO 0.00 0.00 0.00 -0.44 -2.29 0.00 0.00 177.69 174.96 2j4e h ASP 152 N 1.36 0.09 0.25 -0.67 3.32 -1.66 -1.84 116.42 117.26 2j4e h ASP 152 Ca 0.00 0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 2j4e h ASP 152 Cb 0.29 0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 2j4e h ASP 152 CO 0.00 -0.07 -0.04 -0.65 -1.72 0.00 0.00 179.24 176.76 2j4e h PRO 153 N 0.28 0.00 -0.02 3.56 0.11 -1.78 -2.88 132.00 131.28 2j4e h PRO 153 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 2j4e h PRO 153 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2j4e h PRO 153 CO -0.57 0.04 -0.25 0.00 -0.21 0.00 0.00 178.00 177.01 2j4e s PHE 155 N -2.32 2.95 -0.29 0.00 5.36 -1.09 -0.26 117.98 122.33 2j4e s PHE 155 Ca 0.25 -0.75 -0.01 0.00 -0.96 0.00 0.00 56.93 55.46 2j4e s PHE 155 Cb 0.19 -2.04 0.05 0.00 -0.34 0.00 0.00 43.02 40.88 2j4e s PHE 155 CO 0.47 -0.39 -0.02 -1.14 -1.46 0.00 0.00 175.22 172.68 2j4e s GLN 156 N 1.09 2.41 0.36 10.12 0.74 -0.18 -2.42 119.66 131.78 2j4e s GLN 156 Ca 0.01 -1.27 -0.27 0.00 0.05 0.00 0.00 55.36 53.88 2j4e s GLN 156 Cb -0.15 -3.14 -0.09 0.00 1.10 0.00 0.00 33.01 30.73 2j4e s GLN 156 CO -0.00 -0.61 1.16 -1.25 -0.55 0.00 0.00 175.29 174.03 2j4e s PRO 157 N 1.23 4.27 0.44 1.67 0.04 -1.26 -1.38 135.00 140.02 2j4e s PRO 157 Ca -0.06 1.85 -0.25 0.00 0.04 0.00 0.00 61.00 62.58 2j4e s PRO 157 Cb -0.20 -2.86 -0.09 0.00 0.04 0.00 0.00 34.50 31.40 2j4e s PRO 157 CO -0.02 -0.14 1.40 -0.25 0.04 0.00 0.00 177.00 178.03 2j4e n ASP 158 N 0.47 3.15 0.00 6.66 10.43 0.27 -2.74 116.55 134.78 2j4e n ASP 158 Ca 0.02 1.12 0.00 0.00 2.57 0.00 0.00 54.79 58.50 2j4e n ASP 158 Cb 0.46 -1.58 0.00 0.00 1.84 0.00 0.00 41.12 41.84 2j4e n ASP 158 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2j4e n GLY 159 N 0.63 0.86 3.00 0.44 0.00 -1.26 -4.96 105.19 103.91 2j4e n GLY 159 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 2j4e n GLY 159 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2j4e s TYR 160 N -2.67 0.29 -1.55 1.61 1.51 -1.11 -5.07 117.35 110.35 2j4e s TYR 160 Ca 0.00 -0.59 0.23 0.00 -1.01 0.00 0.00 57.07 55.70 2j4e s TYR 160 Cb 0.00 -0.21 0.12 0.00 -0.11 0.00 0.00 41.96 41.76 2j4e s TYR 160 CO 0.00 -0.22 1.15 0.39 -1.11 0.00 0.00 175.55 175.76 2j4e n GLU 161 N 1.37 0.64 -4.43 -0.62 -0.58 -1.26 -4.66 120.64 111.09 2j4e n GLU 161 Ca -0.22 -0.49 -0.24 0.00 -0.42 0.00 0.00 57.16 55.78 2j4e n GLU 161 Cb 0.56 -1.49 -0.10 0.00 -0.57 0.00 0.00 31.44 29.84 2j4e n GLU 161 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 2j4e s GLN 162 N -2.70 1.79 0.80 3.49 -2.07 -1.26 -5.09 119.66 114.62 2j4e s GLN 162 Ca 0.15 -1.68 -0.12 0.00 -1.82 0.00 0.00 55.36 51.89 2j4e s GLN 162 Cb 0.18 -1.85 0.07 0.00 -1.09 0.00 0.00 33.01 30.32 2j4e s GLN 162 CO 0.67 0.34 1.12 0.95 -1.32 0.00 0.00 175.29 177.05 2j4e s THR 163 N -2.42 2.78 0.31 3.63 -4.23 -1.26 -4.34 115.64 110.11 2j4e s THR 163 Ca 0.30 0.25 0.03 0.00 -1.18 0.00 0.00 61.69 61.09 2j4e s THR 163 Cb -0.05 -3.10 0.29 0.00 1.34 0.00 0.00 72.50 70.98 2j4e s THR 163 CO 0.16 -0.33 1.89 1.88 -0.54 0.00 0.00 174.62 177.67 2j4e h TYR 164 N -1.07 1.01 0.00 3.99 0.05 -1.47 -1.19 116.97 118.29 2j4e h TYR 164 Ca -0.47 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.30 2j4e h TYR 164 Cb 1.29 -0.33 -0.00 0.00 1.01 0.00 0.00 36.73 38.69 2j4e h TYR 164 CO 0.41 0.47 -0.16 0.00 -1.05 0.00 0.00 178.16 177.83 2j4e h ALA 165 N 1.54 1.08 0.11 3.88 0.00 -1.78 -3.02 119.26 121.08 2j4e h ALA 165 Ca 0.42 -0.15 -0.28 0.00 0.00 0.00 0.00 54.91 54.90 2j4e h ALA 165 Cb 0.37 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2j4e h ALA 165 CO -0.18 0.21 -1.33 0.93 0.00 0.00 0.00 179.25 178.87 2j4e h GLU 166 N 0.00 0.24 -6.95 0.00 5.08 -1.42 -3.31 114.58 108.22 2j4e h GLU 166 Ca -0.00 -0.41 -0.53 0.00 -1.00 0.00 0.00 59.36 57.42 2j4e h GLU 166 Cb 0.60 0.15 0.08 0.00 0.50 0.00 0.00 28.75 30.09 2j4e h GLU 166 CO 0.02 1.16 0.62 -1.64 -1.00 0.00 0.00 179.01 178.17 2j4e s MET 167 N -2.65 3.96 0.90 2.33 -1.94 -0.87 -4.98 119.30 116.05 2j4e s MET 167 Ca -0.05 2.18 -0.12 0.00 -1.71 0.00 0.00 55.69 55.99 2j4e s MET 167 Cb 0.07 -2.76 0.09 0.00 2.01 0.00 0.00 34.83 34.24 2j4e s MET 167 CO 0.87 -0.51 0.89 -2.30 -0.01 0.00 0.00 175.02 173.96 2j4e n PRO 168 N 0.13 -0.26 -0.12 2.03 -0.02 -1.26 -4.79 135.00 130.70 2j4e n PRO 168 Ca 0.04 -0.01 -0.02 0.00 -2.02 0.00 0.00 63.50 61.49 2j4e n PRO 168 Cb 0.43 -2.19 0.23 0.00 -0.02 0.00 0.00 33.50 31.95 2j4e n PRO 168 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2j4e h LYS 169 N -1.55 0.80 0.00 -0.52 1.63 -1.95 -2.13 116.57 112.86 2j4e h LYS 169 Ca -0.44 -0.13 -0.04 0.00 -0.85 0.00 0.00 60.65 59.19 2j4e h LYS 169 Cb 1.28 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.77 2j4e h LYS 169 CO 0.40 0.68 -0.18 0.00 -3.45 0.00 0.00 179.45 176.90 2j4e h ALA 170 N 1.42 1.27 0.14 5.00 0.00 -1.97 -0.48 119.26 124.64 2j4e h ALA 170 Ca 0.18 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 2j4e h ALA 170 Cb 0.20 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.99 2j4e h ALA 170 CO -0.01 0.22 -0.89 1.49 0.00 0.00 0.00 179.25 180.06 2j4e h GLU 171 N 0.00 0.31 -0.45 0.00 4.81 -1.75 -3.27 114.58 114.23 2j4e h GLU 171 Ca -0.00 -0.52 0.03 0.00 -0.13 0.00 0.00 59.36 58.73 2j4e h GLU 171 Cb 0.45 0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.00 2j4e h GLU 171 CO 0.02 1.25 0.25 -0.22 -0.73 0.00 0.00 179.01 179.58 2j4e h LYS 172 N -0.35 0.49 0.00 1.92 3.64 -1.27 -1.26 116.57 119.74 2j4e h LYS 172 Ca -0.16 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 2j4e h LYS 172 Cb 1.68 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.39 2j4e h LYS 172 CO 0.15 0.32 0.00 0.09 -2.27 0.00 0.00 179.45 177.74 2j4e n ASN 173 N -4.86 0.00 -0.10 4.20 3.02 -0.20 -1.53 115.26 115.79 2j4e n ASN 173 Ca 0.02 -0.21 0.01 0.00 -0.03 0.00 0.00 54.58 54.37 2j4e n ASN 173 Cb 0.08 -0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.26 2j4e n ASN 173 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2j4e n ALA 174 N -1.00 2.38 -0.52 5.41 0.00 -0.49 -4.72 120.51 121.56 2j4e n ALA 174 Ca 0.05 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.84 2j4e n ALA 174 Cb 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.40 2j4e n ALA 174 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2j4e n VAL 175 N 0.01 0.00 -2.11 0.00 0.24 -0.90 -5.03 118.33 110.55 2j4e n VAL 175 Ca 0.02 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.02 2j4e n VAL 175 Cb 0.11 1.39 0.01 0.00 -1.47 0.00 0.00 33.84 33.89 2j4e n VAL 175 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2j4e s SER 176 N 0.00 6.14 0.32 -1.34 1.04 -0.58 -4.87 113.70 114.41 2j4e s SER 176 Ca 0.00 1.23 0.08 0.00 0.48 0.00 0.00 55.95 57.74 2j4e s SER 176 Cb 0.00 -2.33 0.91 0.00 0.10 0.00 0.00 66.02 64.70 2j4e s SER 176 CO 0.00 -0.84 1.63 1.12 0.98 0.00 0.00 173.24 176.13 2j4e h HIS 177 N -0.19 0.51 -0.26 5.02 -0.00 -1.88 -1.44 115.15 116.91 2j4e h HIS 177 Ca -0.45 0.05 -0.18 0.00 -0.00 0.00 0.00 60.37 59.79 2j4e h HIS 177 Cb 1.20 -0.07 -0.00 0.00 -0.00 0.00 0.00 27.41 28.54 2j4e h HIS 177 CO 0.62 -0.27 -0.56 -0.09 -0.00 0.00 0.00 177.93 177.62 2j4e h ARG 178 N 0.18 0.81 -0.98 5.12 2.43 -1.92 -2.14 114.38 117.87 2j4e h ARG 178 Ca 0.65 -0.52 0.04 0.00 -0.81 0.00 0.00 59.98 59.34 2j4e h ARG 178 Cb 1.44 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 31.00 2j4e h ARG 178 CO -0.70 1.15 0.64 0.35 -1.51 0.00 0.00 179.97 179.90 2j4e h PHE 179 N 0.61 1.20 -0.24 2.20 3.57 -1.62 -2.38 116.94 120.28 2j4e h PHE 179 Ca 0.01 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.40 2j4e h PHE 179 Cb 1.16 -0.40 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 2j4e h PHE 179 CO 0.07 0.68 -0.41 0.00 -2.23 0.00 0.00 178.31 176.42 2j4e h ARG 180 N 1.23 0.58 -0.38 1.11 2.47 -1.06 -2.37 114.38 115.95 2j4e h ARG 180 Ca 0.39 -0.29 -0.11 0.00 -1.26 0.00 0.00 59.98 58.71 2j4e h ARG 180 Cb 0.02 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.34 2j4e h ARG 180 CO -0.13 0.88 -0.19 0.00 0.56 0.00 0.00 179.97 181.09 2j4e h ALA 181 N 1.08 0.54 0.00 0.04 0.00 -1.23 -2.74 119.26 116.95 2j4e h ALA 181 Ca 0.04 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2j4e h ALA 181 Cb 0.91 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2j4e h ALA 181 CO 0.08 0.49 0.00 1.28 0.00 0.00 0.00 179.25 181.10 2j4e n LEU 182 N -4.26 0.22 -0.02 0.00 4.77 -0.91 -2.42 117.00 114.37 2j4e n LEU 182 Ca -0.02 0.54 -0.16 0.00 -0.03 0.00 0.00 56.01 56.35 2j4e n LEU 182 Cb 0.42 -0.50 -0.12 0.00 -2.33 0.00 0.00 43.42 40.89 2j4e n LEU 182 CO 0.44 -0.27 0.35 0.25 -1.33 0.00 0.00 177.39 176.83 2j4e h LEU 183 N 0.00 0.23 -0.24 2.23 5.85 -1.12 -1.84 115.31 120.42 2j4e h LEU 183 Ca 0.00 -0.82 0.05 0.00 0.84 0.00 0.00 57.88 57.95 2j4e h LEU 183 Cb 0.36 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 2j4e h LEU 183 CO 0.00 1.03 -0.09 -0.33 -0.34 0.00 0.00 178.44 178.71 2j4e h GLU 184 N -0.54 -0.04 -0.43 1.25 5.08 -1.42 0.57 114.58 119.04 2j4e h GLU 184 Ca -0.04 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.38 2j4e h GLU 184 Cb 1.08 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.29 2j4e h GLU 184 CO 0.06 -0.03 0.13 1.25 -1.00 0.00 0.00 179.01 179.42 2j4e h LEU 185 N -0.04 0.11 -0.83 1.33 5.85 -1.56 0.18 115.31 120.34 2j4e h LEU 185 Ca 0.12 0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.77 2j4e h LEU 185 Cb 0.23 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2j4e h LEU 185 CO -0.27 0.10 -0.57 1.56 -0.34 0.00 0.00 178.44 178.91 2j4e h GLN 186 N 0.28 0.04 0.00 1.25 4.20 -0.97 -2.55 115.11 117.35 2j4e h GLN 186 Ca 0.20 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.79 2j4e h GLN 186 Cb 0.22 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 2j4e h GLN 186 CO -0.23 0.60 -0.48 0.93 -0.67 0.00 0.00 178.83 178.98 2j4e h GLU 187 N 0.03 0.00 0.54 1.46 5.08 0.69 -3.32 114.58 119.06 2j4e h GLU 187 Ca -0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2j4e h GLU 187 Cb 1.02 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.28 2j4e h GLU 187 CO 0.08 0.48 -0.26 -0.92 -1.00 0.00 0.00 179.01 177.39 2j4e h TYR 188 N 0.00 -0.67 -3.97 4.33 3.20 -0.41 -3.22 116.97 116.23 2j4e h TYR 188 Ca -0.00 -0.02 -0.52 0.00 3.14 0.00 0.00 58.73 61.33 2j4e h TYR 188 Cb 0.98 0.22 0.07 0.00 1.54 0.00 0.00 36.73 39.55 2j4e h TYR 188 CO 0.00 -0.38 0.55 -0.06 -1.64 0.00 0.00 178.16 176.63 2j4e s PHE 189 N -4.18 2.86 -0.01 -3.82 0.08 -0.98 -2.59 117.98 109.34 2j4e s PHE 189 Ca -0.12 1.48 0.00 0.00 0.12 0.00 0.00 56.93 58.41 2j4e s PHE 189 Cb 0.01 -3.53 0.00 0.00 -0.57 0.00 0.00 43.02 38.94 2j4e s PHE 189 CO 0.38 -1.78 0.00 0.41 -0.10 0.00 0.00 175.22 174.13 2j4e n GLY 190 N 0.62 0.48 0.14 4.36 0.00 -1.26 -4.69 105.19 104.84 2j4e n GLY 190 Ca 0.05 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 45.99 2j4e n GLY 190 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2j4e h SER 191 N 0.00 0.00 -4.06 1.61 0.87 -1.51 -3.47 113.55 106.99 2j4e h SER 191 Ca -0.00 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.00 2j4e h SER 191 Cb 0.04 0.00 0.16 0.00 -0.44 0.00 0.00 62.40 62.17 2j4e h SER 191 CO 0.00 0.44 0.44 0.18 -0.53 0.00 0.00 176.83 177.36 2j4e n LEU 192 N -3.17 5.53 0.00 2.23 4.32 -1.26 -5.16 117.00 119.49 2j4e n LEU 192 Ca 0.01 0.79 0.14 0.00 -0.02 0.00 0.00 56.01 56.93 2j4e n LEU 192 Cb 0.72 -1.53 0.82 0.00 -1.62 0.00 0.00 43.42 41.81 2j4e n LEU 192 CO 0.40 -1.21 0.99 0.00 -1.22 0.00 0.00 177.39 176.35