#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 0.12 -0.35 -1.46 1.85 -2.01 -3.13 114.93 109.94 2j4e h MET 1 Ca 0.00 -0.20 -0.01 0.00 -0.61 0.00 0.00 59.70 58.89 2j4e h MET 1 Cb 0.00 0.07 -0.02 0.00 0.43 0.00 0.00 31.60 32.09 2j4e h MET 1 CO 0.00 1.07 0.19 0.00 -0.40 0.00 0.00 176.91 177.77 2j4e h ALA 2 N 0.81 0.45 -0.32 0.39 0.00 -1.98 -2.44 119.26 116.17 2j4e h ALA 2 Ca -0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2j4e h ALA 2 Cb 1.87 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 2j4e h ALA 2 CO 0.16 -0.03 0.12 0.00 0.00 0.00 0.00 179.25 179.50 2j4e h ALA 3 N 1.06 0.42 -0.76 0.00 0.00 -1.96 0.16 119.26 118.17 2j4e h ALA 3 Ca 0.12 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.97 2j4e h ALA 3 Cb 0.05 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 2j4e h ALA 3 CO -0.02 0.03 0.44 0.77 0.00 0.00 0.00 179.25 180.47 2j4e h SER 4 N 0.37 0.65 0.48 0.00 0.02 -1.53 -3.25 113.55 110.29 2j4e h SER 4 Ca 0.11 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2j4e h SER 4 Cb 0.21 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2j4e h SER 4 CO -0.01 0.40 -1.37 0.18 -1.14 0.00 0.00 176.83 174.89 2j4e n LEU 5 N -4.74 0.49 -4.74 5.07 4.77 -0.92 -4.83 117.00 112.09 2j4e n LEU 5 Ca 0.11 0.11 -0.42 0.00 -0.03 0.00 0.00 56.01 55.78 2j4e n LEU 5 Cb 0.21 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 2j4e n LEU 5 CO 0.29 -0.06 1.19 0.55 -1.33 0.00 0.00 177.39 178.03 2j4e n VAL 6 N -2.34 1.21 0.00 4.08 3.14 0.51 -1.57 118.33 123.36 2j4e n VAL 6 Ca -0.01 -0.30 0.00 0.00 -2.96 0.00 0.00 64.34 61.07 2j4e n VAL 6 Cb 0.53 -1.91 0.00 0.00 -1.06 0.00 0.00 33.84 31.40 2j4e n VAL 6 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2j4e n GLY 7 N 1.84 2.75 4.02 7.55 0.00 0.50 -4.99 105.19 116.86 2j4e n GLY 7 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 2.32 -0.17 1.61 1.02 -0.61 -4.66 119.74 119.25 2j4e s LYS 8 Ca 0.00 -1.43 -0.15 0.00 0.02 0.00 0.00 55.97 54.40 2j4e s LYS 8 Cb 0.00 -2.61 -0.04 0.00 -0.52 0.00 0.00 37.83 34.66 2j4e s LYS 8 CO 0.00 -0.83 0.36 0.21 -0.92 0.00 0.00 175.35 174.17 2j4e s LYS 9 N -4.69 4.23 -0.09 1.68 2.20 -1.26 -2.59 119.74 119.22 2j4e s LYS 9 Ca 0.61 0.19 0.04 0.00 -0.36 0.00 0.00 55.97 56.45 2j4e s LYS 9 Cb -0.07 -3.48 -0.00 0.00 -1.51 0.00 0.00 37.83 32.77 2j4e s LYS 9 CO 0.39 0.10 -0.24 0.42 -0.36 0.00 0.00 175.35 175.65 2j4e s ILE 10 N 0.89 2.03 -0.14 5.43 1.01 -0.81 -4.54 121.20 125.07 2j4e s ILE 10 Ca 0.19 -1.01 -0.19 0.00 0.00 0.00 0.00 60.65 59.64 2j4e s ILE 10 Cb -0.14 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 2j4e s ILE 10 CO 0.07 0.55 0.54 -0.69 0.00 0.00 0.00 174.94 175.41 2j4e s VAL 11 N 0.28 5.13 -0.39 2.92 1.01 -0.70 -1.96 120.40 126.68 2j4e s VAL 11 Ca -0.17 1.07 -0.14 0.00 0.00 0.00 0.00 61.98 62.74 2j4e s VAL 11 Cb -0.17 -3.88 0.02 0.00 0.00 0.00 0.00 36.38 32.35 2j4e s VAL 11 CO 0.08 0.26 0.28 0.12 0.00 0.00 0.00 175.10 175.83 2j4e s PHE 12 N 1.02 3.24 -0.27 5.22 5.36 -0.24 -0.29 117.98 132.02 2j4e s PHE 12 Ca 0.28 -0.59 -0.10 0.00 -0.96 0.00 0.00 56.93 55.56 2j4e s PHE 12 Cb -0.16 -2.55 -0.04 0.00 -0.34 0.00 0.00 43.02 39.93 2j4e s PHE 12 CO 0.11 -0.57 0.15 0.54 -1.46 0.00 0.00 175.22 174.00 2j4e s VAL 13 N 1.67 4.96 -0.10 3.12 0.11 -0.45 -1.12 120.40 128.58 2j4e s VAL 13 Ca 0.05 0.05 -0.30 0.00 -2.93 0.00 0.00 61.98 58.85 2j4e s VAL 13 Cb -0.19 -3.35 0.12 0.00 -1.53 0.00 0.00 36.38 31.43 2j4e s VAL 13 CO 0.10 0.28 0.96 0.28 -3.33 0.00 0.00 175.10 173.38 2j4e s THR 14 N 1.71 0.00 -0.37 5.04 -1.32 -1.06 -4.63 115.64 115.01 2j4e s THR 14 Ca 0.07 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.61 2j4e s THR 14 Cb -0.16 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 69.99 2j4e s THR 14 CO 0.08 0.00 1.12 0.61 -2.21 0.00 0.00 174.62 174.23 2j4e n GLY 15 N 0.37 3.05 3.22 6.08 0.00 -1.26 -3.90 105.19 112.76 2j4e n GLY 15 Ca -0.10 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 2j4e n GLY 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2j4e s ASN 16 N -1.14 5.52 0.16 1.61 3.84 -1.26 -4.99 114.94 118.68 2j4e s ASN 16 Ca 0.12 -1.68 -0.11 0.00 0.21 0.00 0.00 52.86 51.41 2j4e s ASN 16 Cb 0.08 -1.94 0.01 0.00 -0.55 0.00 0.00 41.25 38.85 2j4e s ASN 16 CO 0.07 -0.55 1.57 0.00 -2.79 0.00 0.00 177.10 175.39 2j4e h ALA 17 N 8.31 0.69 0.00 1.71 0.00 -2.00 -2.20 119.26 125.77 2j4e h ALA 17 Ca -0.20 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 2j4e h ALA 17 Cb 1.07 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 2j4e h ALA 17 CO 0.75 0.62 -0.10 0.87 0.00 0.00 0.00 179.25 181.38 2j4e h LYS 18 N 0.83 0.00 -0.04 0.00 6.56 -1.98 -0.67 116.57 121.28 2j4e h LYS 18 Ca 0.12 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.65 2j4e h LYS 18 Cb 0.71 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.37 2j4e h LYS 18 CO 0.05 0.10 -0.21 -0.22 -2.06 0.00 0.00 179.45 177.12 2j4e h LYS 19 N 0.00 0.20 -0.77 3.15 3.64 -1.86 -2.05 116.57 118.88 2j4e h LYS 19 Ca -0.00 -0.17 0.07 0.00 -1.27 0.00 0.00 60.65 59.28 2j4e h LYS 19 Cb 0.18 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.98 2j4e h LYS 19 CO 0.01 0.84 0.45 1.25 -2.27 0.00 0.00 179.45 179.73 2j4e h LEU 20 N -0.37 0.67 -1.31 5.20 5.85 -1.26 0.78 115.31 124.86 2j4e h LEU 20 Ca -0.02 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 2j4e h LEU 20 Cb 0.88 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 2j4e h LEU 20 CO 0.04 0.42 -0.28 -0.08 -0.34 0.00 0.00 178.44 178.20 2j4e h GLU 21 N 0.80 0.00 0.02 1.25 4.57 -1.12 0.13 114.58 120.24 2j4e h GLU 21 Ca 0.35 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 58.27 2j4e h GLU 21 Cb 0.23 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.84 2j4e h GLU 21 CO -0.20 0.28 -1.05 0.93 -1.18 0.00 0.00 179.01 177.80 2j4e h GLU 22 N 0.00 0.59 -0.39 1.92 5.08 -0.52 -2.66 114.58 118.60 2j4e h GLU 22 Ca -0.00 -0.66 -0.05 0.00 -1.00 0.00 0.00 59.36 57.65 2j4e h GLU 22 Cb 0.66 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 2j4e h GLU 22 CO 0.04 1.27 0.07 0.28 -1.00 0.00 0.00 179.01 179.66 2j4e h VAL 23 N 0.32 1.24 -0.50 3.13 2.07 -0.46 -0.81 116.25 121.24 2j4e h VAL 23 Ca -0.12 -0.85 -0.05 0.00 0.82 0.00 0.00 66.70 66.49 2j4e h VAL 23 Cb 1.70 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.49 2j4e h VAL 23 CO 0.20 0.29 0.08 0.58 0.02 0.00 0.00 177.57 178.74 2j4e h VAL 24 N 0.49 1.22 -0.08 2.57 2.07 -1.07 -0.38 116.25 121.07 2j4e h VAL 24 Ca 0.12 -0.85 -0.05 0.00 0.82 0.00 0.00 66.70 66.74 2j4e h VAL 24 Cb 0.36 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2j4e h VAL 24 CO 0.01 0.31 -0.14 1.56 0.02 0.00 0.00 177.57 179.33 2j4e h GLN 25 N 0.74 0.23 0.68 1.57 4.20 -1.39 -3.37 115.11 117.77 2j4e h GLN 25 Ca 0.16 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 2j4e h GLN 25 Cb 0.33 0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.13 2j4e h GLN 25 CO 0.00 0.72 -0.33 0.82 -0.67 0.00 0.00 178.83 179.38 2j4e h ILE 26 N -0.23 0.00 -2.67 2.54 2.04 -0.97 -3.36 117.51 114.86 2j4e h ILE 26 Ca 0.01 -0.00 -0.56 0.00 1.00 0.00 0.00 64.86 65.30 2j4e h ILE 26 Cb 0.71 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 2j4e h ILE 26 CO 0.03 0.00 1.14 -0.76 0.00 0.00 0.00 178.15 178.56 2j4e s LEU 27 N -8.01 4.01 0.00 1.44 1.43 -0.17 -4.97 118.68 112.41 2j4e s LEU 27 Ca -0.13 1.84 0.00 0.00 -1.03 0.00 0.00 54.13 54.80 2j4e s LEU 27 Cb 0.01 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.70 2j4e s LEU 27 CO 0.40 -1.19 0.00 0.61 0.23 0.00 0.00 176.35 176.40 2j4e n GLY 28 N 4.55 0.88 1.02 -3.19 0.00 -1.26 -4.51 105.19 102.69 2j4e n GLY 28 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 2.82 -0.39 1.61 8.00 -1.26 -4.66 116.55 122.67 2j4e n ASP 29 Ca 0.00 -3.54 0.05 0.00 0.71 0.00 0.00 54.79 52.01 2j4e n ASP 29 Cb 0.00 -0.60 0.04 0.00 -0.02 0.00 0.00 41.12 40.55 2j4e n ASP 29 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 2j4e n LYS 30 N -0.98 0.46 -2.72 -1.24 2.85 -1.26 -4.96 118.16 110.31 2j4e n LYS 30 Ca 0.29 -1.12 -0.43 0.00 -1.05 0.00 0.00 58.31 56.01 2j4e n LYS 30 Cb 0.97 -1.19 -0.03 0.00 -0.65 0.00 0.00 35.03 34.14 2j4e n LYS 30 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 177.40 177.47 2j4e s PHE 31 N -0.81 3.40 -1.09 5.58 5.36 -1.26 -4.94 117.98 124.22 2j4e s PHE 31 Ca 0.12 1.45 0.00 0.00 -0.96 0.00 0.00 56.93 57.54 2j4e s PHE 31 Cb 0.08 -3.19 0.00 0.00 -0.34 0.00 0.00 43.02 39.57 2j4e s PHE 31 CO 0.12 -0.37 0.43 -0.35 -1.46 0.00 0.00 175.22 173.60 2j4e n PRO 32 N 5.76 0.79 -4.51 10.12 -0.04 -1.26 -4.68 135.00 141.19 2j4e n PRO 32 Ca 0.10 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.32 2j4e n PRO 32 Cb 0.47 -1.36 -0.10 0.00 -0.04 0.00 0.00 33.50 32.47 2j4e n PRO 32 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2j4e s THR 34 N -3.18 4.54 -0.09 0.00 2.01 -1.07 -4.97 115.64 112.89 2j4e s THR 34 Ca 0.31 -1.10 -0.29 0.00 0.31 0.00 0.00 61.69 60.92 2j4e s THR 34 Cb 0.07 -3.66 -0.01 0.00 0.01 0.00 0.00 72.50 68.91 2j4e s THR 34 CO 0.15 -0.39 0.99 -0.76 -0.69 0.00 0.00 174.62 173.92 2j4e s LEU 35 N 1.52 4.26 -0.18 4.42 1.43 -1.26 -1.92 118.68 126.95 2j4e s LEU 35 Ca 0.03 1.54 0.00 0.00 -1.03 0.00 0.00 54.13 54.67 2j4e s LEU 35 Cb -0.21 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.50 2j4e s LEU 35 CO 0.05 -0.41 -0.10 -0.69 0.23 0.00 0.00 176.35 175.42 2j4e s VAL 36 N 1.84 1.52 0.35 -1.59 1.01 -0.83 -4.98 120.40 117.72 2j4e s VAL 36 Ca 0.48 -0.83 -0.25 0.00 0.00 0.00 0.00 61.98 61.38 2j4e s VAL 36 Cb -0.19 -1.57 -0.10 0.00 0.00 0.00 0.00 36.38 34.53 2j4e s VAL 36 CO 0.19 0.24 0.96 0.00 0.00 0.00 0.00 175.10 176.49 2j4e s ALA 37 N 1.47 3.17 0.04 5.51 0.00 -1.26 -1.08 121.76 129.61 2j4e s ALA 37 Ca 0.01 0.53 0.02 0.00 0.00 0.00 0.00 51.96 52.52 2j4e s ALA 37 Cb -0.15 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 2j4e s ALA 37 CO -0.09 0.13 -0.08 -1.14 0.00 0.00 0.00 175.76 174.58 2j4e s GLN 38 N -2.25 0.55 -0.36 0.00 0.74 -0.28 -4.87 119.66 113.19 2j4e s GLN 38 Ca 0.53 -0.72 -0.11 0.00 0.05 0.00 0.00 55.36 55.10 2j4e s GLN 38 Cb -0.18 -0.36 0.01 0.00 1.10 0.00 0.00 33.01 33.59 2j4e s GLN 38 CO 0.23 0.07 0.21 0.21 -0.55 0.00 0.00 175.29 175.45 2j4e s LYS 39 N -1.45 3.07 -0.15 1.67 2.20 -1.26 -2.57 119.74 121.25 2j4e s LYS 39 Ca -0.08 -0.91 -0.05 0.00 -0.36 0.00 0.00 55.97 54.57 2j4e s LYS 39 Cb -0.09 -3.72 0.07 0.00 -1.51 0.00 0.00 37.83 32.58 2j4e s LYS 39 CO 0.01 -0.59 0.28 0.42 -0.36 0.00 0.00 175.35 175.10 2j4e s ILE 40 N 1.61 -0.43 -0.77 5.43 1.01 -1.25 -4.98 121.20 121.81 2j4e s ILE 40 Ca 0.04 0.20 -0.26 0.00 0.00 0.00 0.00 60.65 60.63 2j4e s ILE 40 Cb -0.18 -0.51 -0.00 0.00 0.01 0.00 0.00 42.46 41.77 2j4e s ILE 40 CO 0.07 0.06 1.68 -0.62 0.00 0.00 0.00 174.94 176.13 2j4e s ASP 41 N 2.43 5.64 0.25 3.58 3.68 -1.26 -4.26 116.67 126.73 2j4e s ASP 41 Ca 0.03 -0.36 -0.27 0.00 2.13 0.00 0.00 52.55 54.08 2j4e s ASP 41 Cb -0.13 -2.55 -0.09 0.00 -1.45 0.00 0.00 42.92 38.70 2j4e s ASP 41 CO -0.10 -2.20 0.90 -0.76 0.13 0.00 0.00 175.17 173.14 2j4e s LEU 42 N 7.89 4.53 0.03 -1.34 1.43 -1.26 -5.04 118.68 124.92 2j4e s LEU 42 Ca 0.57 1.83 -0.30 0.00 -1.03 0.00 0.00 54.13 55.19 2j4e s LEU 42 Cb -0.08 -3.67 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 2j4e s LEU 42 CO 0.10 0.09 1.06 -2.16 0.23 0.00 0.00 176.35 175.67 2j4e s PRO 43 N -1.48 4.52 0.13 1.29 0.04 -1.26 -5.05 135.00 133.18 2j4e s PRO 43 Ca 0.43 1.56 0.06 0.00 0.04 0.00 0.00 61.00 63.08 2j4e s PRO 43 Cb -0.23 -3.41 -0.04 0.00 0.04 0.00 0.00 34.50 30.86 2j4e s PRO 43 CO 0.28 -0.12 0.01 -1.21 0.04 0.00 0.00 177.00 176.00 2j4e s GLU 44 N 0.98 2.51 0.56 4.56 2.02 -1.26 -4.84 118.70 123.24 2j4e s GLU 44 Ca 0.54 -0.96 -0.03 0.00 0.02 0.00 0.00 54.97 54.55 2j4e s GLU 44 Cb -0.24 -2.47 0.02 0.00 0.10 0.00 0.00 34.13 31.54 2j4e s GLU 44 CO 0.29 0.50 0.83 0.71 0.02 0.00 0.00 175.26 177.60 2j4e s TYR 45 N -1.52 3.11 0.48 1.61 2.02 -1.26 -5.10 117.35 116.69 2j4e s TYR 45 Ca 0.27 0.36 -0.08 0.00 -0.37 0.00 0.00 57.07 57.25 2j4e s TYR 45 Cb -0.11 -2.69 -0.05 0.00 -0.40 0.00 0.00 41.96 38.72 2j4e s TYR 45 CO 0.19 -0.79 0.81 -0.65 -1.57 0.00 0.00 175.55 173.54 2j4e s GLN 46 N -4.86 3.63 0.00 -0.62 -0.21 -1.26 -4.88 119.66 111.46 2j4e s GLN 46 Ca 0.54 0.36 0.00 0.00 0.02 0.00 0.00 55.36 56.28 2j4e s GLN 46 Cb -0.10 -2.34 0.00 0.00 1.00 0.00 0.00 33.01 31.57 2j4e s GLN 46 CO 0.42 -0.20 0.00 0.41 -2.12 0.00 0.00 175.29 173.80 2j4e n GLY 47 N -2.02 0.32 3.74 3.09 0.00 -1.26 -4.87 105.19 104.20 2j4e n GLY 47 Ca 0.02 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 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 -0.44 4.76 0.56 1.61 0.41 -1.26 -4.87 118.70 119.47 2j4e s GLU 48 Ca 0.00 1.50 0.25 0.00 -0.41 0.00 0.00 54.97 56.31 2j4e s GLU 48 Cb 0.00 -3.32 1.55 0.00 -1.78 0.00 0.00 34.13 30.58 2j4e s GLU 48 CO 0.00 0.34 2.13 -1.00 -0.49 0.00 0.00 175.26 176.24 2j4e h PRO 49 N 4.83 0.00 0.94 0.39 0.13 -1.98 -0.24 132.00 136.07 2j4e h PRO 49 Ca -0.44 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 2j4e h PRO 49 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 2j4e h PRO 49 CO 0.70 0.00 -0.49 -0.44 -0.23 0.00 0.00 178.00 177.54 2j4e h ASP 50 N 0.00 -1.20 0.54 1.44 3.32 -2.00 -2.86 116.42 115.67 2j4e h ASP 50 Ca 0.07 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 2j4e h ASP 50 Cb 0.32 0.32 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 2j4e h ASP 50 CO -0.00 -0.81 -0.29 -0.08 -1.72 0.00 0.00 179.24 176.34 2j4e h GLU 51 N -1.32 0.00 0.07 3.56 4.57 -1.58 -1.34 114.58 118.54 2j4e h GLU 51 Ca -0.13 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.05 2j4e h GLU 51 Cb 1.03 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 2j4e h GLU 51 CO 0.19 0.29 -0.03 0.82 -1.18 0.00 0.00 179.01 179.10 2j4e h ILE 52 N 0.00 1.06 -0.07 2.32 2.04 -1.15 -2.36 117.51 119.35 2j4e h ILE 52 Ca -0.00 -0.44 -0.15 0.00 1.00 0.00 0.00 64.86 65.27 2j4e h ILE 52 Cb 0.64 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 2j4e h ILE 52 CO 0.04 0.11 -0.62 0.28 0.00 0.00 0.00 178.15 177.96 2j4e h SER 53 N -0.28 0.28 0.30 1.72 0.02 -1.21 0.14 113.55 114.52 2j4e h SER 53 Ca -0.01 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2j4e h SER 53 Cb 0.25 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 2j4e h SER 53 CO 0.01 0.83 -0.30 0.40 -1.14 0.00 0.00 176.83 176.63 2j4e h ILE 54 N 0.18 0.37 0.00 3.27 2.04 -1.30 -2.00 117.51 120.08 2j4e h ILE 54 Ca -0.01 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 2j4e h ILE 54 Cb 1.13 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2j4e h ILE 54 CO 0.10 0.00 -0.17 1.56 0.00 0.00 0.00 178.15 179.64 2j4e h GLN 55 N -0.63 0.00 -0.22 2.37 1.08 -1.12 -2.18 115.11 114.41 2j4e h GLN 55 Ca -0.01 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.00 2j4e h GLN 55 Cb 0.58 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 2j4e h GLN 55 CO -0.06 0.17 -0.58 -0.22 -0.95 0.00 0.00 178.83 177.20 2j4e h LYS 56 N 0.00 0.77 -0.58 1.46 3.64 -0.61 -2.84 116.57 118.41 2j4e h LYS 56 Ca -0.00 -0.54 -0.06 0.00 -1.27 0.00 0.00 60.65 58.78 2j4e h LYS 56 Cb 0.50 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 2j4e h LYS 56 CO 0.02 1.17 0.15 0.00 -2.27 0.00 0.00 179.45 178.51 2j4e h GLN 58 N 0.83 0.11 -0.47 0.00 4.20 -1.46 0.04 115.11 118.36 2j4e h GLN 58 Ca 0.18 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.73 2j4e h GLN 58 Cb 0.34 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 2j4e h GLN 58 CO 0.00 0.52 -0.16 1.49 -0.67 0.00 0.00 178.83 180.01 2j4e h GLU 59 N 0.10 0.91 -0.84 1.46 4.57 -1.36 -2.77 114.58 116.64 2j4e h GLU 59 Ca 0.01 -0.35 -0.03 0.00 -1.18 0.00 0.00 59.36 57.82 2j4e h GLU 59 Cb 0.79 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.29 2j4e h GLU 59 CO 0.06 1.00 0.42 0.00 -1.18 0.00 0.00 179.01 179.31 2j4e h ALA 60 N 1.01 1.16 -0.24 2.92 0.00 -0.56 -2.49 119.26 121.06 2j4e h ALA 60 Ca 0.12 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2j4e h ALA 60 Cb 0.69 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2j4e h ALA 60 CO 0.05 0.65 0.02 0.28 0.00 0.00 0.00 179.25 180.24 2j4e h VAL 61 N 1.19 1.14 -0.35 0.00 2.07 -0.87 -1.91 116.25 117.51 2j4e h VAL 61 Ca 0.29 -0.54 -0.15 0.00 0.82 0.00 0.00 66.70 67.12 2j4e h VAL 61 Cb 0.09 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2j4e h VAL 61 CO -0.04 0.18 -0.38 0.03 0.02 0.00 0.00 177.57 177.38 2j4e h ARG 62 N 0.34 0.88 0.00 1.57 3.08 -1.17 -2.18 114.38 116.91 2j4e h ARG 62 Ca 0.08 -0.48 -0.27 0.00 0.07 0.00 0.00 59.98 59.38 2j4e h ARG 62 Cb 0.21 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.24 2j4e h ARG 62 CO 0.00 1.12 -1.56 1.96 -1.07 0.00 0.00 179.97 180.43 2j4e h GLN 63 N 0.69 0.00 0.00 0.04 4.20 -1.31 -3.40 115.11 115.33 2j4e h GLN 63 Ca 0.05 0.00 -0.43 0.00 0.06 0.00 0.00 58.65 58.33 2j4e h GLN 63 Cb 0.97 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.69 2j4e h GLN 63 CO 0.09 0.59 -2.47 0.28 -0.67 0.00 0.00 178.83 176.64 2j4e n VAL 64 N -3.10 1.52 -3.63 -0.54 0.31 -0.74 -5.04 118.33 107.11 2j4e n VAL 64 Ca -0.13 -0.44 -0.21 0.00 -0.01 0.00 0.00 64.34 63.54 2j4e n VAL 64 Cb 1.02 -1.73 0.04 0.00 -0.91 0.00 0.00 33.84 32.27 2j4e n VAL 64 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2j4e n GLN 65 N -3.90 -4.57 -1.12 5.55 10.64 -0.82 -5.03 117.38 118.13 2j4e n GLN 65 Ca -0.51 0.65 0.00 0.00 -1.83 0.00 0.00 57.00 55.32 2j4e n GLN 65 Cb 0.92 -5.22 0.00 0.00 -0.86 0.00 0.00 30.24 25.08 2j4e n GLN 65 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2j4e n GLY 66 N -1.50 4.82 3.78 2.61 0.00 -1.26 -5.05 105.19 108.57 2j4e n GLY 66 Ca -0.26 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 2j4e n GLY 66 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2j4e s PRO 67 N -0.67 4.16 0.00 1.61 0.02 -1.21 -3.50 135.00 135.42 2j4e s PRO 67 Ca 0.00 2.43 -0.14 0.00 0.02 0.00 0.00 61.00 63.31 2j4e s PRO 67 Cb 0.00 -2.98 0.02 0.00 0.02 0.00 0.00 34.50 31.56 2j4e s PRO 67 CO 0.00 -0.43 0.30 0.54 -0.33 0.00 0.00 177.00 177.07 2j4e s VAL 68 N -1.14 0.07 -0.02 3.83 0.11 -0.42 -1.73 120.40 121.10 2j4e s VAL 68 Ca 0.52 -0.55 0.01 0.00 -2.93 0.00 0.00 61.98 59.03 2j4e s VAL 68 Cb -0.44 -0.71 0.01 0.00 -1.53 0.00 0.00 36.38 33.71 2j4e s VAL 68 CO 0.59 -0.30 -0.05 -0.22 -3.33 0.00 0.00 175.10 171.79 2j4e s LEU 69 N -1.56 1.68 0.18 2.54 2.96 0.60 -1.34 118.68 123.75 2j4e s LEU 69 Ca -0.11 -0.10 0.02 0.00 -0.22 0.00 0.00 54.13 53.72 2j4e s LEU 69 Cb -0.04 -0.33 -0.05 0.00 0.50 0.00 0.00 46.19 46.27 2j4e s LEU 69 CO 0.02 0.01 0.01 0.68 -1.32 0.00 0.00 176.35 175.75 2j4e s VAL 70 N 0.35 0.69 0.08 1.68 -7.23 -0.43 -1.34 120.40 114.21 2j4e s VAL 70 Ca -0.04 -1.99 -0.09 0.00 -1.81 0.00 0.00 61.98 58.05 2j4e s VAL 70 Cb -0.08 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.69 2j4e s VAL 70 CO -0.00 -0.42 0.21 -1.83 -0.31 0.00 0.00 175.10 172.74 2j4e s GLU 71 N -3.92 0.84 -0.15 4.82 4.04 -1.26 -0.21 118.70 122.86 2j4e s GLU 71 Ca 0.25 -0.89 -0.05 0.00 0.04 0.00 0.00 54.97 54.32 2j4e s GLU 71 Cb 0.06 0.34 0.07 0.00 0.02 0.00 0.00 34.13 34.63 2j4e s GLU 71 CO 0.05 -0.27 0.28 -0.51 -1.84 0.00 0.00 175.26 172.98 2j4e s ASP 72 N -2.75 0.34 -0.17 0.83 1.01 0.15 -5.00 116.67 111.09 2j4e s ASP 72 Ca 0.03 0.58 -0.11 0.00 0.71 0.00 0.00 52.55 53.76 2j4e s ASP 72 Cb 0.04 0.77 -0.05 0.00 1.01 0.00 0.00 42.92 44.69 2j4e s ASP 72 CO -0.10 -0.25 0.19 -0.89 0.21 0.00 0.00 175.17 174.33 2j4e s THR 73 N 2.44 5.38 -0.01 -1.27 2.01 -1.26 -1.76 115.64 121.18 2j4e s THR 73 Ca 0.02 0.32 0.03 0.00 0.31 0.00 0.00 61.69 62.36 2j4e s THR 73 Cb -0.12 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 2j4e s THR 73 CO -0.09 0.46 -0.06 0.00 -0.69 0.00 0.00 174.62 174.24 2j4e s LEU 75 N -1.34 2.52 -0.17 0.00 2.96 -1.13 -0.47 118.68 121.05 2j4e s LEU 75 Ca 0.17 -0.69 0.01 0.00 -0.22 0.00 0.00 54.13 53.40 2j4e s LEU 75 Cb -0.11 -1.56 0.02 0.00 0.50 0.00 0.00 46.19 45.04 2j4e s LEU 75 CO 0.07 -0.04 -0.20 0.00 -1.32 0.00 0.00 176.35 174.86 2j4e s PHE 77 N 1.20 3.44 0.22 0.00 0.08 -0.66 -0.82 117.98 121.45 2j4e s PHE 77 Ca 0.02 0.59 -0.00 0.00 0.12 0.00 0.00 56.93 57.66 2j4e s PHE 77 Cb -0.14 -2.37 0.22 0.00 -0.57 0.00 0.00 43.02 40.16 2j4e s PHE 77 CO -0.10 0.20 1.57 -0.91 -0.10 0.00 0.00 175.22 175.88 2j4e h ASN 78 N 6.81 0.51 -0.15 1.36 -0.26 -1.71 -0.14 115.58 121.99 2j4e h ASN 78 Ca -0.40 -0.25 0.02 0.00 -0.56 0.00 0.00 56.30 55.11 2j4e h ASN 78 Cb 1.16 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 38.27 2j4e h ASN 78 CO 0.75 0.91 0.10 0.00 -1.06 0.00 0.00 177.43 178.13 2j4e h ALA 79 N 1.11 2.00 -0.54 -0.83 0.00 -1.78 -1.82 119.26 117.39 2j4e h ALA 79 Ca 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2j4e h ALA 79 Cb 0.98 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2j4e h ALA 79 CO 0.09 -0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.59 2j4e n LEU 80 N -4.51 5.45 -1.36 0.00 4.77 -0.92 -4.94 117.00 115.49 2j4e n LEU 80 Ca -0.00 -2.77 -0.17 0.00 -0.03 0.00 0.00 56.01 53.04 2j4e n LEU 80 Cb 0.15 -0.68 -0.07 0.00 -2.33 0.00 0.00 43.42 40.50 2j4e n LEU 80 CO 0.34 0.60 -0.17 0.61 -1.33 0.00 0.00 177.39 177.45 2j4e n GLY 81 N 0.58 1.48 0.00 -0.72 0.00 -0.69 -2.20 105.19 103.64 2j4e n GLY 81 Ca 0.26 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.91 0.93 3.85 -0.02 0.00 -0.11 -5.00 105.19 103.92 2j4e n GLY 82 Ca -0.17 0.00 -0.32 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 3.57 0.59 0.99 1.43 -0.93 -1.58 118.68 122.75 2j4e s LEU 83 Ca 0.00 1.48 0.34 0.00 -1.03 0.00 0.00 54.13 54.92 2j4e s LEU 83 Cb 0.00 -4.43 1.89 0.00 0.03 0.00 0.00 46.19 43.68 2j4e s LEU 83 CO 0.00 -0.62 2.23 -0.65 0.23 0.00 0.00 176.35 177.54 2j4e h PRO 84 N 0.70 0.00 0.00 1.29 0.11 -1.90 -1.74 132.00 130.46 2j4e h PRO 84 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2j4e h PRO 84 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2j4e h PRO 84 CO 0.62 0.03 0.00 0.41 -0.21 0.00 0.00 178.00 178.85 2j4e n GLY 85 N -0.99 3.42 0.00 -0.55 0.00 -0.53 -0.61 105.19 105.93 2j4e n GLY 85 Ca -0.02 0.24 0.08 0.00 0.00 0.00 0.00 46.02 46.32 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 9.69 0.16 -0.57 1.61 -0.04 -1.26 -2.82 135.00 141.78 2j4e n PRO 86 Ca 0.00 0.16 0.08 0.00 -0.04 0.00 0.00 63.50 63.70 2j4e n PRO 86 Cb 0.00 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.25 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 -1.35 1.25 -0.35 0.54 4.01 0.22 -4.65 117.16 116.82 2j4e n TYR 87 Ca 0.07 -0.87 0.00 0.00 -0.16 0.00 0.00 57.90 56.94 2j4e n TYR 87 Cb 0.15 -0.38 0.16 0.00 -0.31 0.00 0.00 39.34 38.96 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 2.31 1.18 -0.65 -0.72 6.09 -1.63 -2.82 117.51 121.27 2j4e h ILE 88 Ca 0.01 -0.43 0.12 0.00 -1.37 0.00 0.00 64.86 63.20 2j4e h ILE 88 Cb 1.60 -0.17 -0.12 0.00 0.47 0.00 0.00 36.82 38.60 2j4e h ILE 88 CO 0.30 0.23 -0.24 0.50 -3.07 0.00 0.00 178.15 175.86 2j4e h LYS 89 N 1.24 -0.07 -0.11 2.19 3.64 -1.88 0.13 116.57 121.71 2j4e h LYS 89 Ca 0.38 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.58 2j4e h LYS 89 Cb -0.02 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2j4e h LYS 89 CO -0.11 -0.05 -0.71 -1.49 -2.27 0.00 0.00 179.45 174.83 2j4e h TRP 90 N -0.07 0.68 0.45 1.91 4.06 -1.88 -1.21 115.95 119.89 2j4e h TRP 90 Ca 0.29 -0.29 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 2j4e h TRP 90 Cb 0.53 -0.11 0.00 0.00 -1.00 0.00 0.00 29.16 28.58 2j4e h TRP 90 CO -0.59 1.05 -0.22 0.74 -3.56 0.00 0.00 178.44 175.86 2j4e h PHE 91 N 0.36 -0.56 -0.93 0.49 0.04 -1.34 -3.17 116.94 111.81 2j4e h PHE 91 Ca -0.03 -0.01 0.20 0.00 2.80 0.00 0.00 57.97 60.93 2j4e h PHE 91 Cb 1.28 0.19 -0.11 0.00 2.20 0.00 0.00 35.95 39.51 2j4e h PHE 91 CO 0.05 -0.24 0.50 1.25 -0.60 0.00 0.00 178.31 179.27 2j4e h LEU 92 N -0.90 0.55 -1.29 1.54 5.85 -0.75 0.26 115.31 120.57 2j4e h LEU 92 Ca -0.06 0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.82 2j4e h LEU 92 Cb 0.57 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 2j4e h LEU 92 CO 0.10 0.13 0.50 -0.08 -0.34 0.00 0.00 178.44 178.75 2j4e h GLU 93 N 0.57 0.89 0.00 1.25 4.81 -1.20 0.47 114.58 121.37 2j4e h GLU 93 Ca 0.56 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.64 2j4e h GLU 93 Cb 0.98 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 2j4e h GLU 93 CO -0.45 0.59 -1.87 1.63 -0.73 0.00 0.00 179.01 178.18 2j4e n LYS 94 N -4.46 0.87 -0.02 1.92 5.02 -0.70 -4.58 118.16 116.20 2j4e n LYS 94 Ca 0.10 -0.10 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 2j4e n LYS 94 Cb 0.14 -1.40 -0.14 0.00 -0.02 0.00 0.00 35.03 33.61 2j4e n LYS 94 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2j4e n LEU 95 N -2.26 1.71 -0.91 -0.35 4.77 0.82 -5.04 117.00 115.75 2j4e n LEU 95 Ca -0.11 0.26 0.12 0.00 -0.03 0.00 0.00 56.01 56.25 2j4e n LEU 95 Cb 0.65 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 2j4e n LEU 95 CO 0.34 0.63 -0.26 0.29 -1.33 0.00 0.00 177.39 177.06 2j4e n LYS 96 N -3.23 -1.93 -0.31 3.23 4.76 0.15 -2.36 118.16 118.47 2j4e n LYS 96 Ca -0.26 1.41 0.01 0.00 -2.87 0.00 0.00 58.31 56.60 2j4e n LYS 96 Cb 1.05 -2.32 0.14 0.00 -1.84 0.00 0.00 35.03 32.07 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 -0.86 0.93 -0.47 1.97 0.11 -1.84 -1.43 132.00 130.40 2j4e h PRO 97 Ca -0.04 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.98 2j4e h PRO 97 Cb 0.84 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.72 2j4e h PRO 97 CO 0.03 0.61 0.17 1.05 -0.21 0.00 0.00 178.00 179.65 2j4e h GLU 98 N 0.96 0.69 -0.19 1.05 9.09 -1.95 -2.24 114.58 121.98 2j4e h GLU 98 Ca 0.38 -0.10 -0.20 0.00 0.05 0.00 0.00 59.36 59.48 2j4e h GLU 98 Cb 0.19 -0.12 0.01 0.00 -1.65 0.00 0.00 28.75 27.17 2j4e h GLU 98 CO -0.18 0.58 -0.66 0.78 0.05 0.00 0.00 179.01 179.58 2j4e h GLY 99 N 0.84 0.86 0.71 1.06 0.00 -1.08 -2.63 103.07 102.83 2j4e h GLY 99 Ca 0.16 -1.14 0.05 0.00 0.00 0.00 0.00 47.33 46.40 2j4e h GLY 99 CO -0.01 1.02 0.35 1.41 0.00 0.00 0.00 176.54 179.31 2j4e h LEU 100 N 0.52 0.52 -0.48 3.11 3.38 -0.91 -0.08 115.31 121.36 2j4e h LEU 100 Ca -0.03 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2j4e h LEU 100 Cb 1.29 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 2j4e h LEU 100 CO 0.14 0.34 0.24 -0.74 0.09 0.00 0.00 178.44 178.52 2j4e h HIS 101 N 0.65 0.44 0.00 1.13 2.76 -1.46 -2.97 115.15 115.71 2j4e h HIS 101 Ca 0.28 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.42 2j4e h HIS 101 Cb 0.15 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 2j4e h HIS 101 CO -0.08 0.22 -0.21 1.96 -1.30 0.00 0.00 177.93 178.52 2j4e h GLN 102 N 0.48 0.00 -0.72 5.26 4.20 -0.69 -2.34 115.11 121.29 2j4e h GLN 102 Ca 0.21 0.00 0.19 0.00 0.06 0.00 0.00 58.65 59.11 2j4e h GLN 102 Cb 0.12 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 2j4e h GLN 102 CO -0.15 0.21 0.51 1.25 -0.67 0.00 0.00 178.83 179.98 2j4e h LEU 103 N 0.00 0.14 -2.02 1.46 5.85 -0.94 -1.21 115.31 118.58 2j4e h LEU 103 Ca -0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2j4e h LEU 103 Cb 0.47 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.48 2j4e h LEU 103 CO 0.03 0.06 0.00 0.18 -0.34 0.00 0.00 178.44 178.37 2j4e n LEU 104 N -4.39 2.96 -0.26 2.25 4.77 -0.88 -4.50 117.00 116.95 2j4e n LEU 104 Ca 0.14 -1.48 0.06 0.00 -0.03 0.00 0.00 56.01 54.70 2j4e n LEU 104 Cb 0.70 -0.38 0.30 0.00 -2.33 0.00 0.00 43.42 41.71 2j4e n LEU 104 CO 0.36 0.70 1.23 0.00 -1.33 0.00 0.00 177.39 178.35 2j4e h ALA 105 N 3.94 1.62 -0.18 -1.18 0.00 -1.33 -1.70 119.26 120.42 2j4e h ALA 105 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2j4e h ALA 105 Cb 0.77 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2j4e h ALA 105 CO 0.03 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.92 2j4e n GLY 106 N -1.42 0.99 2.97 0.00 0.00 -1.26 -4.85 105.19 101.62 2j4e n GLY 106 Ca 0.13 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.60 0.80 0.08 1.61 0.08 -0.64 -5.05 117.98 113.26 2j4e s PHE 107 Ca 0.15 -0.19 -0.14 0.00 0.12 0.00 0.00 56.93 56.86 2j4e s PHE 107 Cb 0.10 -0.59 -0.17 0.00 -0.57 0.00 0.00 43.02 41.79 2j4e s PHE 107 CO 0.07 -0.09 1.27 1.49 -0.10 0.00 0.00 175.22 177.86 2j4e h GLU 108 N 6.41 0.70 -6.50 0.44 4.81 -1.89 -3.43 114.58 115.14 2j4e h GLU 108 Ca -0.33 -0.59 -0.57 0.00 -0.13 0.00 0.00 59.36 57.74 2j4e h GLU 108 Cb 1.17 0.13 -0.05 0.00 0.63 0.00 0.00 28.75 30.63 2j4e h GLU 108 CO 0.49 1.20 1.07 0.34 -0.73 0.00 0.00 179.01 181.37 2j4e s ASP 109 N -6.98 6.36 -0.09 1.04 2.15 -1.26 -4.88 116.67 113.01 2j4e s ASP 109 Ca -0.11 0.90 0.18 0.00 0.43 0.00 0.00 52.55 53.95 2j4e s ASP 109 Cb 0.07 -2.54 0.63 0.00 -0.30 0.00 0.00 42.92 40.79 2j4e s ASP 109 CO 0.88 -1.40 1.54 0.29 -0.17 0.00 0.00 175.17 176.32 2j4e n LYS 110 N 7.99 3.42 -2.67 4.34 4.76 -1.26 -4.42 118.16 130.31 2j4e n LYS 110 Ca 0.17 -2.74 -0.38 0.00 -2.87 0.00 0.00 58.31 52.49 2j4e n LYS 110 Cb 0.48 -1.76 -0.05 0.00 -1.84 0.00 0.00 35.03 31.85 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 -1.05 7.29 0.24 4.39 1.04 -1.26 -0.23 113.70 124.12 2j4e s SER 111 Ca 0.46 1.98 -0.08 0.00 0.48 0.00 0.00 55.95 58.79 2j4e s SER 111 Cb 0.29 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 63.80 2j4e s SER 111 CO 0.23 -0.11 0.36 0.00 0.98 0.00 0.00 173.24 174.70 2j4e s ALA 112 N -1.44 0.31 0.08 5.32 0.00 -0.97 -2.00 121.76 123.05 2j4e s ALA 112 Ca 0.48 -1.20 0.03 0.00 0.00 0.00 0.00 51.96 51.27 2j4e s ALA 112 Cb -0.23 1.19 -0.03 0.00 0.00 0.00 0.00 23.12 24.04 2j4e s ALA 112 CO 0.30 -0.76 -0.08 1.52 0.00 0.00 0.00 175.76 176.73 2j4e s TYR 113 N -4.01 0.86 -0.15 0.00 -0.85 0.00 -1.43 117.35 111.78 2j4e s TYR 113 Ca 0.29 -0.67 -0.02 0.00 -0.52 0.00 0.00 57.07 56.15 2j4e s TYR 113 Cb 0.02 -0.50 -0.02 0.00 0.38 0.00 0.00 41.96 41.84 2j4e s TYR 113 CO 0.11 -0.08 -0.08 0.00 -1.52 0.00 0.00 175.55 173.98 2j4e s ALA 114 N -2.36 2.82 -0.11 9.51 0.00 -0.54 -0.01 121.76 131.06 2j4e s ALA 114 Ca 0.01 -0.87 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 2j4e s ALA 114 Cb -0.03 -1.41 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 2j4e s ALA 114 CO -0.01 0.18 -0.09 -1.17 0.00 0.00 0.00 175.76 174.68 2j4e s LEU 115 N 0.43 3.01 -0.15 0.00 2.96 0.38 -2.07 118.68 123.24 2j4e s LEU 115 Ca -0.07 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.69 2j4e s LEU 115 Cb -0.15 -1.68 0.01 0.00 0.50 0.00 0.00 46.19 44.87 2j4e s LEU 115 CO 0.04 0.24 -0.21 0.00 -1.32 0.00 0.00 176.35 175.10 2j4e s THR 117 N 1.01 1.69 -0.14 0.00 2.01 -0.72 -1.74 115.64 117.74 2j4e s THR 117 Ca -0.03 -0.75 -0.05 0.00 0.31 0.00 0.00 61.69 61.17 2j4e s THR 117 Cb -0.15 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 2j4e s THR 117 CO -0.06 0.48 0.05 -0.36 -0.69 0.00 0.00 174.62 174.04 2j4e s PHE 118 N 0.93 3.28 -0.11 4.92 0.08 0.26 -0.67 117.98 126.67 2j4e s PHE 118 Ca -0.07 0.19 0.01 0.00 0.12 0.00 0.00 56.93 57.18 2j4e s PHE 118 Cb -0.15 -1.95 -0.02 0.00 -0.57 0.00 0.00 43.02 40.33 2j4e s PHE 118 CO -0.02 0.37 -0.14 0.00 -0.10 0.00 0.00 175.22 175.33 2j4e s ALA 119 N -0.32 2.60 -0.05 5.36 0.00 0.71 -0.97 121.76 129.09 2j4e s ALA 119 Ca 0.08 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.15 2j4e s ALA 119 Cb -0.12 -1.12 0.01 0.00 0.00 0.00 0.00 23.12 21.89 2j4e s ALA 119 CO 0.02 0.34 -0.14 -1.17 0.00 0.00 0.00 175.76 174.81 2j4e s LEU 120 N 0.05 1.78 0.06 0.00 2.96 -0.38 -1.31 118.68 121.83 2j4e s LEU 120 Ca -0.05 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 2j4e s LEU 120 Cb -0.15 -0.83 -0.03 0.00 0.50 0.00 0.00 46.19 45.68 2j4e s LEU 120 CO 0.04 0.08 -0.07 -0.55 -1.32 0.00 0.00 176.35 174.54 2j4e s SER 121 N 0.34 0.92 0.00 3.68 0.15 -0.45 -1.31 113.70 117.03 2j4e s SER 121 Ca -0.09 -0.73 0.28 0.00 0.70 0.00 0.00 55.95 56.11 2j4e s SER 121 Cb -0.13 0.07 0.99 0.00 -1.71 0.00 0.00 66.02 65.24 2j4e s SER 121 CO 0.03 -0.32 1.74 0.35 1.20 0.00 0.00 173.24 176.24 2j4e n THR 122 N 0.89 0.00 -0.01 6.45 -2.24 -1.26 -1.30 114.28 116.80 2j4e n THR 122 Ca -0.19 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2j4e n THR 122 Cb 0.57 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 2j4e n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2j4e n GLY 123 N 1.43 0.20 3.53 3.38 0.00 -1.23 -3.31 105.19 109.19 2j4e n GLY 123 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 2j4e n GLY 123 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2j4e s ASP 124 N -2.29 6.35 0.58 1.61 2.15 -1.26 -4.80 116.67 119.00 2j4e s ASP 124 Ca 0.00 -0.23 0.27 0.00 0.43 0.00 0.00 52.55 53.02 2j4e s ASP 124 Cb 0.00 -2.33 1.68 0.00 -0.30 0.00 0.00 42.92 41.97 2j4e s ASP 124 CO 0.00 -0.77 2.19 -0.65 -0.17 0.00 0.00 175.17 175.77 2j4e h PRO 125 N 8.83 0.00 0.00 4.34 0.11 -1.96 -2.54 132.00 140.78 2j4e h PRO 125 Ca -0.25 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.79 2j4e h PRO 125 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2j4e h PRO 125 CO 0.89 0.00 -0.34 0.66 -0.21 0.00 0.00 178.00 179.00 2j4e h SER 126 N 0.00 0.00 -3.63 -2.05 4.64 -2.04 -3.46 113.55 107.01 2j4e h SER 126 Ca 0.03 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.84 2j4e h SER 126 Cb 0.16 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.22 2j4e h SER 126 CO -0.00 0.31 0.21 -1.10 -0.87 0.00 0.00 176.83 175.39 2j4e s GLN 127 N -3.05 4.52 0.83 4.77 -0.21 -0.96 -5.03 119.66 120.53 2j4e s GLN 127 Ca 0.05 1.15 -0.11 0.00 0.02 0.00 0.00 55.36 56.46 2j4e s GLN 127 Cb 0.07 -3.07 0.10 0.00 1.00 0.00 0.00 33.01 31.11 2j4e s GLN 127 CO 0.72 0.46 1.15 -2.14 -2.12 0.00 0.00 175.29 173.36 2j4e s PRO 128 N -1.56 1.58 0.10 2.91 0.02 -1.26 -4.93 135.00 131.85 2j4e s PRO 128 Ca 0.41 1.53 -0.15 0.00 0.02 0.00 0.00 61.00 62.81 2j4e s PRO 128 Cb -0.21 -1.79 -0.07 0.00 0.02 0.00 0.00 34.50 32.46 2j4e s PRO 128 CO 0.25 -2.21 0.52 0.08 -0.33 0.00 0.00 177.00 175.31 2j4e s VAL 129 N -2.52 4.87 -0.17 3.83 1.01 -1.26 -4.83 120.40 121.33 2j4e s VAL 129 Ca 0.68 0.91 -0.07 0.00 0.00 0.00 0.00 61.98 63.49 2j4e s VAL 129 Cb -0.23 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 2j4e s VAL 129 CO 0.54 0.39 0.08 -0.60 0.00 0.00 0.00 175.10 175.51 2j4e s ARG 130 N -1.56 3.89 -0.01 2.72 3.00 -0.43 -4.93 118.95 121.64 2j4e s ARG 130 Ca 0.32 -0.30 -0.00 0.00 -1.00 0.00 0.00 55.73 54.75 2j4e s ARG 130 Cb -0.16 -3.22 -0.04 0.00 0.00 0.00 0.00 34.95 31.53 2j4e s ARG 130 CO 0.18 0.36 0.06 -0.51 0.00 0.00 0.00 175.30 175.39 2j4e s LEU 131 N 0.12 3.79 -0.07 -0.88 1.43 -1.26 -1.25 118.68 120.57 2j4e s LEU 131 Ca 0.06 0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 2j4e s LEU 131 Cb -0.12 -2.18 0.02 0.00 0.03 0.00 0.00 46.19 43.93 2j4e s LEU 131 CO 0.00 0.28 -0.10 -0.36 0.23 0.00 0.00 176.35 176.40 2j4e s PHE 132 N -1.15 1.29 0.14 0.29 0.08 -0.15 -4.97 117.98 113.51 2j4e s PHE 132 Ca 0.21 -0.48 0.10 0.00 0.12 0.00 0.00 56.93 56.88 2j4e s PHE 132 Cb -0.12 -0.99 -0.04 0.00 -0.57 0.00 0.00 43.02 41.30 2j4e s PHE 132 CO 0.12 -0.28 -0.24 1.03 -0.10 0.00 0.00 175.22 175.75 2j4e s ARG 133 N 0.85 1.31 -0.11 0.44 0.52 -1.26 -0.58 118.95 120.13 2j4e s ARG 133 Ca -0.11 -1.32 -0.21 0.00 -0.52 0.00 0.00 55.73 53.57 2j4e s ARG 133 Cb -0.15 -1.66 0.05 0.00 0.52 0.00 0.00 34.95 33.71 2j4e s ARG 133 CO 0.01 0.38 0.50 0.20 0.02 0.00 0.00 175.30 176.42 2j4e s GLY 134 N -2.18 -0.37 0.01 -3.53 0.00 -0.71 -3.91 107.32 96.62 2j4e s GLY 134 Ca 0.13 1.11 -0.05 0.00 0.00 0.00 0.00 44.72 45.91 2j4e s GLY 134 CO 0.06 0.87 0.09 1.09 0.00 0.00 0.00 173.10 175.21 2j4e s ARG 135 N -0.55 0.44 0.10 2.90 1.70 -1.26 -0.81 118.95 121.47 2j4e s ARG 135 Ca -0.07 -0.47 0.09 0.00 -0.47 0.00 0.00 55.73 54.82 2j4e s ARG 135 Cb -0.03 0.18 -0.03 0.00 -0.57 0.00 0.00 34.95 34.49 2j4e s ARG 135 CO 0.04 -0.10 -0.24 0.99 -1.08 0.00 0.00 175.30 174.92 2j4e s THR 136 N -1.44 1.94 -0.00 4.99 2.01 -0.88 -4.78 115.64 117.48 2j4e s THR 136 Ca -0.15 -1.56 0.04 0.00 0.31 0.00 0.00 61.69 60.33 2j4e s THR 136 Cb -0.08 -1.72 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 2j4e s THR 136 CO 0.01 0.07 -0.10 -0.44 -0.69 0.00 0.00 174.62 173.47 2j4e s SER 137 N -1.80 4.40 0.00 3.53 0.01 -1.26 -1.47 113.70 117.11 2j4e s SER 137 Ca 0.10 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.16 2j4e s SER 137 Cb -0.10 -0.97 0.00 0.00 0.21 0.00 0.00 66.02 65.16 2j4e s SER 137 CO 0.04 0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.60 2j4e n GLY 138 N 1.70 3.35 3.12 3.44 0.00 -0.51 0.11 105.19 116.39 2j4e n GLY 138 Ca -0.16 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.24 2j4e n GLY 138 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2j4e s ARG 139 N 1.80 0.62 -0.35 1.61 0.52 -0.61 -2.29 118.95 120.26 2j4e s ARG 139 Ca 0.00 -0.90 -0.16 0.00 -0.52 0.00 0.00 55.73 54.15 2j4e s ARG 139 Cb 0.00 0.24 -0.01 0.00 0.52 0.00 0.00 34.95 35.70 2j4e s ARG 139 CO 0.00 -0.15 0.40 0.42 0.02 0.00 0.00 175.30 175.99 2j4e s ILE 140 N -3.09 5.13 0.31 1.52 -1.09 0.68 -1.31 121.20 123.35 2j4e s ILE 140 Ca -0.01 0.11 0.08 0.00 -2.23 0.00 0.00 60.65 58.60 2j4e s ILE 140 Cb 0.02 -3.86 -0.06 0.00 -1.58 0.00 0.00 42.46 36.98 2j4e s ILE 140 CO -0.07 -0.13 -0.09 0.68 -1.23 0.00 0.00 174.94 174.11 2j4e s VAL 141 N 2.11 1.96 0.14 2.92 -7.23 -0.75 -4.92 120.40 114.63 2j4e s VAL 141 Ca 0.13 -2.18 -0.34 0.00 -1.81 0.00 0.00 61.98 57.79 2j4e s VAL 141 Cb -0.16 -2.52 -0.14 0.00 0.56 0.00 0.00 36.38 34.13 2j4e s VAL 141 CO 0.12 -0.27 1.62 0.00 -0.31 0.00 0.00 175.10 176.26 2j4e n ALA 142 N -0.67 1.43 -1.51 1.32 0.00 -1.26 -4.55 120.51 115.27 2j4e n ALA 142 Ca -0.05 0.43 -0.62 0.00 0.00 0.00 0.00 53.44 53.20 2j4e n ALA 142 Cb 0.63 -2.38 -0.10 0.00 0.00 0.00 0.00 19.45 17.60 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 3.77 0.26 -4.25 0.00 -0.02 -1.26 -4.85 135.00 128.65 2j4e n PRO 143 Ca 0.17 0.08 -0.33 0.00 -2.02 0.00 0.00 63.50 61.41 2j4e n PRO 143 Cb 0.29 -1.68 -0.16 0.00 -0.02 0.00 0.00 33.50 31.94 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 4.65 3.08 0.00 -0.52 0.52 -0.38 -4.98 118.95 121.32 2j4e s ARG 144 Ca 1.11 -0.80 0.00 0.00 -0.52 0.00 0.00 55.73 55.52 2j4e s ARG 144 Cb -1.38 -2.61 0.00 0.00 0.52 0.00 0.00 34.95 31.48 2j4e s ARG 144 CO 0.70 -0.14 0.00 0.41 0.02 0.00 0.00 175.30 176.29 2j4e n GLY 145 N 4.47 5.27 3.09 -3.53 0.00 -1.26 -4.18 105.19 109.05 2j4e n GLY 145 Ca -0.20 -1.20 -0.05 0.00 0.00 0.00 0.00 46.02 44.57 2j4e n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j4e n GLN 147 N 0.90 0.00 -0.08 0.00 7.27 -1.26 -4.79 117.38 119.41 2j4e n GLN 147 Ca -0.00 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 56.96 2j4e n GLN 147 Cb 0.39 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 32.99 2j4e n GLN 147 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2j4e n ASP 148 N 0.00 1.84 -4.46 1.69 8.00 -1.26 -4.91 116.55 117.45 2j4e n ASP 148 Ca 0.00 0.54 -0.43 0.00 0.71 0.00 0.00 54.79 55.61 2j4e n ASP 148 Cb 0.00 -0.89 -0.04 0.00 -0.02 0.00 0.00 41.12 40.17 2j4e n ASP 148 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2j4e s PHE 149 N -2.34 2.74 0.00 1.24 5.99 -1.26 -4.96 117.98 119.40 2j4e s PHE 149 Ca -0.21 -0.46 0.00 0.00 0.00 0.00 0.00 56.93 56.27 2j4e s PHE 149 Cb 0.04 -4.18 0.00 0.00 0.00 0.00 0.00 43.02 38.88 2j4e s PHE 149 CO 0.35 -1.52 0.00 0.41 -0.00 0.00 0.00 175.22 174.46 2j4e n GLY 150 N 5.27 1.33 0.43 13.12 0.00 -1.26 -1.23 105.19 122.85 2j4e n GLY 150 Ca -0.03 0.26 0.07 0.00 0.00 0.00 0.00 46.02 46.32 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 6.68 0.26 -0.25 1.61 4.27 -1.26 -4.35 117.44 124.39 2j4e n TRP 151 Ca 0.00 -0.13 0.04 0.00 -3.89 0.00 0.00 57.50 53.52 2j4e n TRP 151 Cb 0.00 0.00 0.17 0.00 -1.36 0.00 0.00 31.31 30.12 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 1.51 0.30 -0.13 -0.67 5.19 -1.55 -2.07 116.42 119.00 2j4e h ASP 152 Ca 0.00 0.10 0.04 0.00 -0.62 0.00 0.00 57.03 56.55 2j4e h ASP 152 Cb 0.34 0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.91 2j4e h ASP 152 CO 0.00 0.13 0.12 -0.65 -3.12 0.00 0.00 179.24 175.73 2j4e h PRO 153 N 0.46 0.00 -0.45 3.56 0.11 -1.79 -2.90 132.00 130.99 2j4e h PRO 153 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 2j4e h PRO 153 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 2j4e h PRO 153 CO -0.37 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.42 2j4e s PHE 155 N -1.35 3.23 -0.54 0.00 5.36 -1.10 -1.81 117.98 121.76 2j4e s PHE 155 Ca 0.34 -1.88 -0.16 0.00 -0.96 0.00 0.00 56.93 54.27 2j4e s PHE 155 Cb 0.20 -2.07 0.13 0.00 -0.34 0.00 0.00 43.02 40.94 2j4e s PHE 155 CO 0.19 -0.80 0.50 -1.14 -1.46 0.00 0.00 175.22 172.51 2j4e s GLN 156 N 1.24 2.99 0.53 10.12 0.74 -0.42 -2.51 119.66 132.35 2j4e s GLN 156 Ca -0.05 -1.70 -0.20 0.00 0.05 0.00 0.00 55.36 53.46 2j4e s GLN 156 Cb -0.19 -4.30 -0.06 0.00 1.10 0.00 0.00 33.01 29.57 2j4e s GLN 156 CO -0.02 -1.33 1.18 -1.25 -0.55 0.00 0.00 175.29 173.33 2j4e s PRO 157 N 1.61 3.34 0.47 1.67 0.04 -1.26 -1.57 135.00 139.31 2j4e s PRO 157 Ca 0.03 1.78 -0.23 0.00 0.04 0.00 0.00 61.00 62.62 2j4e s PRO 157 Cb -0.30 -2.13 -0.07 0.00 0.04 0.00 0.00 34.50 32.05 2j4e s PRO 157 CO 0.03 -0.90 1.28 -0.51 0.04 0.00 0.00 177.00 176.94 2j4e s ASP 158 N -1.52 5.89 0.00 6.66 -0.00 0.12 -2.95 116.67 124.87 2j4e s ASP 158 Ca 0.71 2.58 0.00 0.00 -0.00 0.00 0.00 52.55 55.84 2j4e s ASP 158 Cb -0.29 -2.63 0.00 0.00 -0.00 0.00 0.00 42.92 40.01 2j4e s ASP 158 CO 0.33 -1.13 0.00 0.61 -0.00 0.00 0.00 175.17 174.98 2j4e n GLY 159 N 0.60 3.26 3.16 0.21 0.00 -1.26 -4.97 105.19 106.19 2j4e n GLY 159 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.51 1.22 -0.21 1.61 1.51 -1.15 -5.05 117.35 112.77 2j4e s TYR 160 Ca 0.00 -0.42 0.20 0.00 -1.01 0.00 0.00 57.07 55.83 2j4e s TYR 160 Cb 0.00 -0.70 0.00 0.00 -0.11 0.00 0.00 41.96 41.15 2j4e s TYR 160 CO 0.00 0.05 1.09 0.93 -1.11 0.00 0.00 175.55 176.51 2j4e h GLU 161 N 4.52 0.00 -7.10 -0.62 4.39 -1.96 -3.42 114.58 110.40 2j4e h GLU 161 Ca -0.40 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 58.84 2j4e h GLU 161 Cb 1.19 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.85 2j4e h GLU 161 CO 0.41 0.17 0.37 -0.65 -1.16 0.00 0.00 179.01 178.15 2j4e s GLN 162 N -3.14 3.90 0.50 2.33 -0.21 -1.26 -4.99 119.66 116.79 2j4e s GLN 162 Ca 0.00 1.22 -0.07 0.00 0.02 0.00 0.00 55.36 56.53 2j4e s GLN 162 Cb 0.08 -2.12 -0.04 0.00 1.00 0.00 0.00 33.01 31.93 2j4e s GLN 162 CO 0.78 -0.33 0.84 0.95 -2.12 0.00 0.00 175.29 175.40 2j4e s THR 163 N -2.18 4.84 0.33 -0.19 -4.23 -1.26 -4.18 115.64 108.78 2j4e s THR 163 Ca 0.64 0.42 0.11 0.00 -1.18 0.00 0.00 61.69 61.69 2j4e s THR 163 Cb -0.13 -3.84 0.32 0.00 1.34 0.00 0.00 72.50 70.18 2j4e s THR 163 CO 0.21 -0.86 1.70 1.88 -0.54 0.00 0.00 174.62 177.01 2j4e h TYR 164 N 0.28 0.96 -0.15 3.99 0.05 -1.56 0.16 116.97 120.69 2j4e h TYR 164 Ca -0.46 0.04 -0.07 0.00 0.05 0.00 0.00 58.73 58.29 2j4e h TYR 164 Cb 1.20 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.66 2j4e h TYR 164 CO 0.60 -0.05 -0.20 0.00 -1.05 0.00 0.00 178.16 177.47 2j4e h ALA 165 N 1.78 1.38 0.00 3.88 0.00 -1.79 -2.91 119.26 121.61 2j4e h ALA 165 Ca 0.68 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2j4e h ALA 165 Cb 1.41 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2j4e h ALA 165 CO -0.54 0.43 -0.33 0.93 0.00 0.00 0.00 179.25 179.74 2j4e h GLU 166 N 0.24 0.00 -7.17 0.00 5.08 -0.84 -3.42 114.58 108.47 2j4e h GLU 166 Ca 0.04 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.92 2j4e h GLU 166 Cb 0.49 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.79 2j4e h GLU 166 CO 0.03 0.00 0.38 -1.64 -1.00 0.00 0.00 179.01 176.78 2j4e s MET 167 N -3.19 3.51 0.63 2.33 -1.94 -0.79 -4.92 119.30 114.93 2j4e s MET 167 Ca 0.07 1.19 -0.18 0.00 -1.71 0.00 0.00 55.69 55.06 2j4e s MET 167 Cb 0.10 -2.06 -0.02 0.00 2.01 0.00 0.00 34.83 34.86 2j4e s MET 167 CO 0.68 -0.65 1.25 -2.14 -0.01 0.00 0.00 175.02 174.15 2j4e s PRO 168 N -3.92 2.70 0.32 2.03 0.02 -1.26 -4.85 135.00 130.03 2j4e s PRO 168 Ca 0.63 1.93 0.02 0.00 0.02 0.00 0.00 61.00 63.60 2j4e s PRO 168 Cb -0.15 -1.88 0.58 0.00 0.02 0.00 0.00 34.50 33.07 2j4e s PRO 168 CO 0.33 -1.45 1.94 -0.22 -0.33 0.00 0.00 177.00 177.27 2j4e h LYS 169 N 0.62 0.93 0.00 5.54 1.63 -1.95 -0.77 116.57 122.56 2j4e h LYS 169 Ca -0.50 -0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 59.20 2j4e h LYS 169 Cb 1.32 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 32.73 2j4e h LYS 169 CO 0.54 0.62 -0.20 0.00 -3.45 0.00 0.00 179.45 176.96 2j4e h ALA 170 N 1.54 1.05 -0.01 5.00 0.00 -1.97 -1.08 119.26 123.78 2j4e h ALA 170 Ca 0.35 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2j4e h ALA 170 Cb 0.16 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.93 2j4e h ALA 170 CO -0.12 0.24 -0.35 1.49 0.00 0.00 0.00 179.25 180.52 2j4e h GLU 171 N 0.00 0.25 -0.47 0.00 4.81 -1.54 -3.23 114.58 114.40 2j4e h GLU 171 Ca -0.00 -0.26 0.02 0.00 -0.13 0.00 0.00 59.36 58.99 2j4e h GLU 171 Cb 0.68 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.10 2j4e h GLU 171 CO 0.03 0.97 0.28 -0.22 -0.73 0.00 0.00 179.01 179.33 2j4e h LYS 172 N -0.36 0.54 0.00 1.92 3.64 -1.07 -0.95 116.57 120.30 2j4e h LYS 172 Ca -0.04 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2j4e h LYS 172 Cb 1.08 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 2j4e h LYS 172 CO 0.07 0.36 0.00 0.09 -2.27 0.00 0.00 179.45 177.70 2j4e n ASN 173 N -4.82 0.00 -0.00 4.20 4.13 -0.43 -1.74 115.26 116.59 2j4e n ASN 173 Ca 0.03 -0.37 0.06 0.00 1.68 0.00 0.00 54.58 55.97 2j4e n ASN 173 Cb 0.07 -0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.23 2j4e n ASN 173 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2j4e n ALA 174 N -1.00 3.26 -0.77 5.41 0.00 -0.37 -4.73 120.51 122.31 2j4e n ALA 174 Ca 0.09 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2j4e n ALA 174 Cb 0.04 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 -1.44 0.10 -2.24 0.00 0.24 -0.93 -4.98 118.33 109.07 2j4e n VAL 175 Ca 0.01 -0.16 -0.29 0.00 -2.04 0.00 0.00 64.34 61.85 2j4e n VAL 175 Cb 0.22 1.40 0.00 0.00 -1.47 0.00 0.00 33.84 33.99 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 -0.10 6.26 0.38 -1.34 1.04 -0.71 -4.88 113.70 114.35 2j4e s SER 176 Ca 0.00 1.20 0.18 0.00 0.48 0.00 0.00 55.95 57.81 2j4e s SER 176 Cb 0.00 -2.37 1.13 0.00 0.10 0.00 0.00 66.02 64.88 2j4e s SER 176 CO 0.00 -0.72 1.70 1.12 0.98 0.00 0.00 173.24 176.32 2j4e h HIS 177 N -0.00 0.77 -0.22 5.02 2.07 -1.87 0.49 115.15 121.42 2j4e h HIS 177 Ca -0.45 0.03 -0.19 0.00 -2.85 0.00 0.00 60.37 56.90 2j4e h HIS 177 Cb 1.20 -0.21 0.00 0.00 2.57 0.00 0.00 27.41 30.97 2j4e h HIS 177 CO 0.62 -0.07 -0.62 -0.09 -3.07 0.00 0.00 177.93 174.71 2j4e h ARG 178 N 0.34 0.80 -0.22 5.12 2.43 -1.93 -1.76 114.38 119.16 2j4e h ARG 178 Ca 0.69 -0.57 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 2j4e h ARG 178 Cb 1.73 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 31.37 2j4e h ARG 178 CO -0.45 1.19 0.12 0.35 -1.51 0.00 0.00 179.97 179.67 2j4e h PHE 179 N 0.55 0.31 -0.67 2.20 3.57 -1.55 -0.60 116.94 120.74 2j4e h PHE 179 Ca -0.02 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.58 2j4e h PHE 179 Cb 1.24 -0.10 -0.08 0.00 2.79 0.00 0.00 35.95 39.80 2j4e h PHE 179 CO 0.08 0.29 0.27 0.00 -2.23 0.00 0.00 178.31 176.72 2j4e h ARG 180 N 0.24 0.43 -0.32 1.11 2.47 -0.91 0.76 114.38 118.17 2j4e h ARG 180 Ca 0.08 -0.03 -0.10 0.00 -1.26 0.00 0.00 59.98 58.68 2j4e h ARG 180 Cb 0.09 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 2j4e h ARG 180 CO -0.01 0.29 -0.18 0.00 0.56 0.00 0.00 179.97 180.62 2j4e h ALA 181 N 1.47 0.45 0.00 0.04 0.00 -1.06 -2.98 119.26 117.17 2j4e h ALA 181 Ca 0.35 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2j4e h ALA 181 Cb 0.46 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2j4e h ALA 181 CO -0.34 0.38 -0.25 -0.07 0.00 0.00 0.00 179.25 178.97 2j4e h LEU 182 N 0.44 0.00 -0.90 0.00 3.38 -0.69 -2.55 115.31 114.99 2j4e h LEU 182 Ca 0.07 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 2j4e h LEU 182 Cb 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2j4e h LEU 182 CO 0.05 0.25 -0.38 0.25 0.09 0.00 0.00 178.44 178.70 2j4e h LEU 183 N 0.00 0.35 -0.32 1.67 5.85 -0.71 0.44 115.31 122.58 2j4e h LEU 183 Ca -0.00 -0.14 -0.16 0.00 0.84 0.00 0.00 57.88 58.41 2j4e h LEU 183 Cb 0.64 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 2j4e h LEU 183 CO 0.03 0.70 -0.43 -0.33 -0.34 0.00 0.00 178.44 178.08 2j4e h GLU 184 N 0.28 0.86 -0.72 1.25 5.08 -1.34 -0.48 114.58 119.50 2j4e h GLU 184 Ca 0.03 -0.49 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2j4e h GLU 184 Cb 0.81 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 2j4e h GLU 184 CO 0.06 1.13 0.47 1.25 -1.00 0.00 0.00 179.01 180.92 2j4e h LEU 185 N 0.65 0.84 -0.13 1.33 5.85 -1.13 -1.43 115.31 121.30 2j4e h LEU 185 Ca 0.04 -0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.62 2j4e h LEU 185 Cb 1.02 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.85 2j4e h LEU 185 CO 0.10 0.63 -0.33 1.56 -0.34 0.00 0.00 178.44 180.05 2j4e h GLN 186 N 0.98 0.45 -0.85 1.25 4.20 -0.89 -2.82 115.11 117.43 2j4e h GLN 186 Ca 0.26 -0.31 0.14 0.00 0.06 0.00 0.00 58.65 58.80 2j4e h GLN 186 Cb -0.09 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 27.68 2j4e h GLN 186 CO -0.05 0.93 0.55 1.49 -0.67 0.00 0.00 178.83 181.08 2j4e h GLU 187 N 0.04 0.60 0.51 1.46 4.22 -1.03 0.67 114.58 121.05 2j4e h GLU 187 Ca -0.01 -0.04 -0.02 0.00 0.08 0.00 0.00 59.36 59.37 2j4e h GLU 187 Cb 0.95 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2j4e h GLU 187 CO 0.07 0.40 -0.24 -0.92 -2.18 0.00 0.00 179.01 176.13 2j4e h TYR 188 N 0.62 -0.63 0.00 0.92 3.20 -1.09 -2.37 116.97 117.62 2j4e h TYR 188 Ca 0.42 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.25 2j4e h TYR 188 Cb 0.75 0.21 -0.00 0.00 1.54 0.00 0.00 36.73 39.22 2j4e h TYR 188 CO -0.00 -0.39 -0.15 0.74 -1.64 0.00 0.00 178.16 176.72 2j4e h PHE 189 N -0.70 0.00 0.00 -3.82 0.04 -1.38 -2.74 116.94 108.34 2j4e h PHE 189 Ca -0.07 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 2j4e h PHE 189 Cb 0.52 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.67 2j4e h PHE 189 CO 0.11 0.15 -0.05 0.78 -0.60 0.00 0.00 178.31 178.69 2j4e h GLY 190 N 0.50 0.00 2.00 -1.45 0.00 -0.82 -3.14 103.07 100.16 2j4e h GLY 190 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2j4e h GLY 190 CO 0.02 0.00 -0.10 1.48 0.00 0.00 0.00 176.54 177.94 2j4e h SER 191 N 0.00 0.00 -3.49 0.19 4.64 -1.10 -3.44 113.55 110.34 2j4e h SER 191 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 2j4e h SER 191 Cb 0.70 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.85 2j4e h SER 191 CO 0.01 0.10 0.78 -0.76 -0.87 0.00 0.00 176.83 176.08 2j4e s LEU 192 N -6.99 4.37 0.32 5.97 1.43 -1.19 -4.90 118.68 117.70 2j4e s LEU 192 Ca -0.02 2.77 -0.28 0.00 -1.03 0.00 0.00 54.13 55.58 2j4e s LEU 192 Cb 0.12 -3.63 -0.13 0.00 0.03 0.00 0.00 46.19 42.58 2j4e s LEU 192 CO 0.57 -0.75 1.07 0.00 0.23 0.00 0.00 176.35 177.47 2j4e n ALA 193 N 1.91 0.18 0.64 4.21 0.00 -1.26 -5.13 120.51 121.06 2j4e n ALA 193 Ca 0.06 0.36 0.05 0.00 0.00 0.00 0.00 53.44 53.91 2j4e n ALA 193 Cb 0.40 -2.08 0.30 0.00 0.00 0.00 0.00 19.45 18.07 2j4e n ALA 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50