#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j44 n ASN 8 N 0.00 -2.10 -4.76 1.67 4.05 -1.26 -4.82 115.26 108.04 2j44 n ASN 8 Ca 0.00 -0.00 -0.23 0.00 0.45 0.00 0.00 54.58 54.79 2j44 n ASN 8 Cb 0.00 -1.00 -0.06 0.00 1.23 0.00 0.00 39.78 39.95 2j44 n ASN 8 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 2j44 s TYR 9 N -3.00 2.98 -0.09 1.20 2.02 -1.26 -1.29 117.35 117.91 2j44 s TYR 9 Ca 0.00 -0.13 0.03 0.00 -0.37 0.00 0.00 57.07 56.60 2j44 s TYR 9 Cb -0.00 -1.36 0.01 0.00 -0.40 0.00 0.00 41.96 40.21 2j44 s TYR 9 CO 0.01 0.55 -0.18 0.12 -1.57 0.00 0.00 175.55 174.47 2j44 s PHE 10 N -2.09 2.10 -0.28 2.71 2.19 0.39 -4.90 117.98 118.11 2j44 s PHE 10 Ca 0.32 -0.87 -0.15 0.00 0.33 0.00 0.00 56.93 56.55 2j44 s PHE 10 Cb -0.08 -1.45 -0.03 0.00 -1.31 0.00 0.00 43.02 40.14 2j44 s PHE 10 CO 0.23 -0.39 0.38 0.50 1.83 0.00 0.00 175.22 177.77 2j44 s ARG 11 N 0.58 3.98 -0.29 10.12 3.52 0.52 -0.34 118.95 137.05 2j44 s ARG 11 Ca -0.15 0.02 -0.08 0.00 -0.13 0.00 0.00 55.73 55.39 2j44 s ARG 11 Cb -0.17 -3.67 -0.01 0.00 -1.56 0.00 0.00 34.95 29.55 2j44 s ARG 11 CO 0.05 -0.30 0.10 0.42 -0.81 0.00 0.00 175.30 174.75 2j44 s ILE 12 N 2.09 4.26 -0.03 4.11 1.01 -0.29 -0.96 121.20 131.40 2j44 s ILE 12 Ca 0.15 -0.45 -0.14 0.00 0.00 0.00 0.00 60.65 60.21 2j44 s ILE 12 Cb -0.16 -3.13 -0.05 0.00 0.01 0.00 0.00 42.46 39.13 2j44 s ILE 12 CO 0.10 0.16 0.39 -1.00 0.00 0.00 0.00 174.94 174.59 2j44 s HIS 13 N 1.57 3.69 -0.15 3.97 3.76 0.18 -1.95 115.29 126.36 2j44 s HIS 13 Ca 0.04 0.93 0.01 0.00 -0.15 0.00 0.00 55.06 55.89 2j44 s HIS 13 Cb -0.16 -2.29 0.02 0.00 1.11 0.00 0.00 32.58 31.25 2j44 s HIS 13 CO 0.04 0.58 -0.16 0.08 -0.85 0.00 0.00 174.74 174.43 2j44 s VAL 14 N -0.83 1.74 0.06 -0.90 1.01 0.47 -0.22 120.40 121.73 2j44 s VAL 14 Ca 0.23 -0.75 -0.21 0.00 0.00 0.00 0.00 61.98 61.25 2j44 s VAL 14 Cb -0.16 -1.60 -0.13 0.00 0.00 0.00 0.00 36.38 34.49 2j44 s VAL 14 CO 0.12 0.49 1.50 0.50 0.00 0.00 0.00 175.10 177.70 2j44 h LYS 15 N 7.91 0.24 -2.60 2.72 3.64 -1.31 -1.39 116.57 125.79 2j44 h LYS 15 Ca -0.39 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 58.80 2j44 h LYS 15 Cb 1.14 -0.02 -0.27 0.00 -0.41 0.00 0.00 32.23 32.67 2j44 h LYS 15 CO 0.56 0.46 -0.34 -1.59 -2.27 0.00 0.00 179.45 176.27 2j44 s LYS 16 N -5.04 0.35 0.39 1.90 -2.85 -1.26 -4.62 119.74 108.61 2j44 s LYS 16 Ca -0.14 0.90 -0.27 0.00 -1.00 0.00 0.00 55.97 55.45 2j44 s LYS 16 Cb 0.06 0.13 -0.10 0.00 -2.06 0.00 0.00 37.83 35.86 2j44 s LYS 16 CO 0.71 -0.21 1.39 -0.51 0.10 0.00 0.00 175.35 176.84 2j44 s LEU 17 N 1.99 4.28 0.46 2.77 1.02 -1.26 -4.87 118.68 123.07 2j44 s LEU 17 Ca -0.06 2.86 0.16 0.00 0.02 0.00 0.00 54.13 57.11 2j44 s LEU 17 Cb -0.10 -3.77 1.13 0.00 0.02 0.00 0.00 46.19 43.47 2j44 s LEU 17 CO -0.13 -0.85 2.01 -0.65 0.02 0.00 0.00 176.35 176.76 2j44 h PRO 18 N 2.89 0.27 -5.44 1.29 0.11 -1.97 -3.44 132.00 125.71 2j44 h PRO 18 Ca -0.50 -0.02 -0.51 0.00 0.11 0.00 0.00 66.00 65.08 2j44 h PRO 18 Cb 1.24 -0.06 -0.14 0.00 0.11 0.00 0.00 31.00 32.16 2j44 h PRO 18 CO 0.63 0.18 -0.64 -1.21 -0.21 0.00 0.00 178.00 176.76 2j44 s GLU 19 N -5.27 1.67 -0.00 1.05 2.02 -1.26 -5.09 118.70 111.82 2j44 s GLU 19 Ca -0.07 -1.90 -0.25 0.00 0.02 0.00 0.00 54.97 52.78 2j44 s GLU 19 Cb 0.19 -1.15 -0.19 0.00 0.10 0.00 0.00 34.13 33.08 2j44 s GLU 19 CO 0.73 -0.06 1.30 0.93 0.02 0.00 0.00 175.26 178.19 2j44 h GLU 20 N 2.12 0.08 -5.53 1.61 3.07 -2.03 -3.41 114.58 110.48 2j44 h GLU 20 Ca -0.41 -0.04 -0.64 0.00 -0.50 0.00 0.00 59.36 57.77 2j44 h GLU 20 Cb 1.24 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 29.01 2j44 h GLU 20 CO 0.71 0.53 0.20 1.21 -1.40 0.00 0.00 179.01 180.25 2j44 s ASN 21 N -5.77 6.37 0.48 1.42 2.47 -1.26 -4.93 114.94 113.71 2j44 s ASN 21 Ca -0.15 -0.20 0.20 0.00 0.42 0.00 0.00 52.86 53.13 2j44 s ASN 21 Cb 0.03 -2.34 1.21 0.00 -1.45 0.00 0.00 41.25 38.70 2j44 s ASN 21 CO 0.69 -0.79 1.97 0.07 -3.72 0.00 0.00 177.10 175.32 2j44 h LYS 22 N 8.84 0.20 0.00 0.43 2.10 -1.92 -2.34 116.57 123.89 2j44 h LYS 22 Ca -0.25 -0.01 -0.04 0.00 -2.00 0.00 0.00 60.65 58.35 2j44 h LYS 22 Cb 1.09 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 32.37 2j44 h LYS 22 CO 0.90 0.13 -0.18 -0.44 -2.00 0.00 0.00 179.45 177.87 2j44 h ASP 23 N 0.21 0.00 0.04 7.07 5.19 -1.92 -2.56 116.42 124.45 2j44 h ASP 23 Ca 0.28 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.69 2j44 h ASP 23 Cb 0.84 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.35 2j44 h ASP 23 CO -0.05 0.18 -0.07 0.00 -3.12 0.00 0.00 179.24 176.17 2j44 n ALA 24 N -2.22 2.70 -2.49 3.45 0.00 -0.88 -4.69 120.51 116.39 2j44 n ALA 24 Ca -0.00 -0.47 -0.28 0.00 0.00 0.00 0.00 53.44 52.68 2j44 n ALA 24 Cb 0.37 -1.10 -0.11 0.00 0.00 0.00 0.00 19.45 18.61 2j44 n ALA 24 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2j44 s GLN 25 N -2.12 1.77 0.21 0.00 -0.21 -0.97 -0.99 119.66 117.34 2j44 s GLN 25 Ca 0.33 -1.29 -0.10 0.00 0.02 0.00 0.00 55.36 54.32 2j44 s GLN 25 Cb 0.20 -2.05 -0.01 0.00 1.00 0.00 0.00 33.01 32.15 2j44 s GLN 25 CO 0.38 0.45 0.36 0.20 -2.12 0.00 0.00 175.29 174.56 2j44 s GLY 26 N -2.44 0.61 -0.32 3.09 0.00 -0.83 -0.48 107.32 106.95 2j44 s GLY 26 Ca 0.20 -0.96 -0.08 0.00 0.00 0.00 0.00 44.72 43.88 2j44 s GLY 26 CO 0.11 -0.79 0.13 -2.27 0.00 0.00 0.00 173.10 170.28 2j44 s LEU 27 N -3.01 4.15 -0.25 0.66 2.96 0.25 -1.77 118.68 121.68 2j44 s LEU 27 Ca 0.22 -0.76 -0.10 0.00 -0.22 0.00 0.00 54.13 53.28 2j44 s LEU 27 Cb 0.02 -1.95 -0.05 0.00 0.50 0.00 0.00 46.19 44.72 2j44 s LEU 27 CO 0.06 -0.25 0.15 0.86 -1.32 0.00 0.00 176.35 175.85 2j44 s TRP 28 N 1.53 3.24 0.19 5.38 -0.11 -0.77 -0.66 118.94 127.75 2j44 s TRP 28 Ca 0.03 0.07 0.09 0.00 1.22 0.00 0.00 56.10 57.51 2j44 s TRP 28 Cb -0.18 -2.28 -0.04 0.00 -1.50 0.00 0.00 33.47 29.47 2j44 s TRP 28 CO 0.04 -0.07 -0.18 0.95 -4.62 0.00 0.00 176.95 173.07 2j44 s THR 29 N 1.32 1.93 0.07 5.86 -4.23 -1.26 -1.18 115.64 118.15 2j44 s THR 29 Ca 0.07 -2.03 -0.02 0.00 -1.18 0.00 0.00 61.69 58.53 2j44 s THR 29 Cb -0.15 -1.96 0.01 0.00 1.34 0.00 0.00 72.50 71.75 2j44 s THR 29 CO 0.06 -0.35 0.12 -2.67 -0.54 0.00 0.00 174.62 171.24 2j44 n TRP 30 N 0.07 -0.95 -0.42 3.99 2.14 -0.34 -1.25 117.44 120.68 2j44 n TRP 30 Ca -0.11 -0.38 0.00 0.00 2.07 0.00 0.00 57.50 59.08 2j44 n TRP 30 Cb 0.58 0.14 0.00 0.00 -0.81 0.00 0.00 31.31 31.21 2j44 n TRP 30 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 2j44 n ASP 31 N -1.54 0.00 -1.49 -0.67 10.43 -1.26 -2.37 116.55 119.65 2j44 n ASP 31 Ca -0.01 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.35 2j44 n ASP 31 Cb 0.11 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.07 2j44 n ASP 31 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 2j44 n ASP 32 N 5.27 4.92 -4.89 -2.24 8.00 0.60 -4.80 116.55 123.41 2j44 n ASP 32 Ca 0.00 -2.31 -0.28 0.00 0.71 0.00 0.00 54.79 52.91 2j44 n ASP 32 Cb 0.00 -1.03 -0.04 0.00 -0.02 0.00 0.00 41.12 40.03 2j44 n ASP 32 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2j44 s VAL 33 N 0.10 5.08 0.10 2.53 -7.23 -1.26 -0.49 120.40 119.22 2j44 s VAL 33 Ca 0.00 -0.69 -0.23 0.00 -1.81 0.00 0.00 61.98 59.25 2j44 s VAL 33 Cb 0.00 -3.55 -0.13 0.00 0.56 0.00 0.00 36.38 33.26 2j44 s VAL 33 CO 0.00 -0.00 1.74 -0.08 -0.31 0.00 0.00 175.10 176.44 2j44 h GLU 34 N 2.61 0.00 -3.34 4.82 4.81 -1.03 -3.37 114.58 119.08 2j44 h GLU 34 Ca -0.47 -0.00 -0.62 0.00 -0.13 0.00 0.00 59.36 58.13 2j44 h GLU 34 Cb 1.18 -0.00 -0.40 0.00 0.63 0.00 0.00 28.75 30.16 2j44 h GLU 34 CO 0.69 0.00 -0.70 0.15 -0.73 0.00 0.00 179.01 178.43 2j44 s LYS 35 N -6.19 1.51 0.34 1.92 1.02 -1.26 -4.87 119.74 112.20 2j44 s LYS 35 Ca -0.13 -2.14 -0.28 0.00 0.02 0.00 0.00 55.97 53.43 2j44 s LYS 35 Cb 0.07 -2.75 -0.12 0.00 -0.52 0.00 0.00 37.83 34.50 2j44 s LYS 35 CO 0.66 -1.11 1.35 -2.30 -0.92 0.00 0.00 175.35 173.03 2j44 n PRO 36 N 3.56 2.25 -1.67 -1.68 -0.02 -1.26 -4.86 135.00 131.33 2j44 n PRO 36 Ca 0.06 0.79 -0.42 0.00 -2.02 0.00 0.00 63.50 61.91 2j44 n PRO 36 Cb 0.35 -2.41 -0.00 0.00 -0.02 0.00 0.00 33.50 31.41 2j44 n PRO 36 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2j44 n SER 37 N 0.84 2.25 -4.35 2.55 7.64 -0.38 -5.01 113.62 117.15 2j44 n SER 37 Ca 0.05 1.16 -0.18 0.00 1.01 0.00 0.00 58.87 60.91 2j44 n SER 37 Cb 0.36 -1.43 -0.10 0.00 -1.01 0.00 0.00 64.21 62.03 2j44 n SER 37 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2j44 s GLU 38 N -1.89 1.45 -0.74 1.43 -1.05 -1.26 -4.93 118.70 111.71 2j44 s GLU 38 Ca 0.58 -1.78 -0.03 0.00 -0.15 0.00 0.00 54.97 53.59 2j44 s GLU 38 Cb -0.58 -0.50 -0.03 0.00 -0.44 0.00 0.00 34.13 32.58 2j44 s GLU 38 CO 0.60 -0.22 0.66 0.09 0.95 0.00 0.00 175.26 177.35 2j44 n ASN 39 N -0.51 -6.14 -4.73 0.83 3.02 -1.26 -3.24 115.26 103.24 2j44 n ASN 39 Ca -0.02 -0.35 -0.42 0.00 -0.03 0.00 0.00 54.58 53.76 2j44 n ASN 39 Cb 0.66 -4.37 -0.02 0.00 -0.61 0.00 0.00 39.78 35.45 2j44 n ASN 39 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 2j44 n TRP 40 N -2.34 2.69 0.98 3.10 -0.00 -1.26 -0.46 117.44 120.15 2j44 n TRP 40 Ca -0.03 0.30 0.11 0.00 -0.00 0.00 0.00 57.50 57.88 2j44 n TRP 40 Cb 0.55 -2.56 0.09 0.00 -0.00 0.00 0.00 31.31 29.39 2j44 n TRP 40 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 2j44 n PRO 41 N 2.05 0.01 0.25 5.87 -0.04 -1.26 -4.87 135.00 137.02 2j44 n PRO 41 Ca 0.09 -0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.69 2j44 n PRO 41 Cb 0.36 -1.50 0.55 0.00 -0.04 0.00 0.00 33.50 32.86 2j44 n PRO 41 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2j44 h ASN 42 N 0.00 0.00 0.43 3.54 2.35 -1.65 -2.54 115.58 117.71 2j44 h ASN 42 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2j44 h ASN 42 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 2j44 h ASN 42 CO 0.00 0.09 0.00 0.61 -1.65 0.00 0.00 177.43 176.48 2j44 n GLY 43 N 0.17 -0.96 3.53 2.83 0.00 0.40 -4.78 105.19 106.37 2j44 n GLY 43 Ca 0.01 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2j44 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j44 n ALA 44 N -1.56 -1.59 -2.59 4.61 0.00 -0.96 -4.45 120.51 113.96 2j44 n ALA 44 Ca 0.02 -0.49 -0.43 0.00 0.00 0.00 0.00 53.44 52.55 2j44 n ALA 44 Cb 0.15 -1.97 -0.03 0.00 0.00 0.00 0.00 19.45 17.60 2j44 n ALA 44 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2j44 s LEU 45 N -2.88 3.86 0.36 0.00 2.96 0.17 -4.75 118.68 118.40 2j44 s LEU 45 Ca 0.63 0.44 -0.28 0.00 -0.22 0.00 0.00 54.13 54.70 2j44 s LEU 45 Cb -0.25 -3.37 -0.11 0.00 0.50 0.00 0.00 46.19 42.96 2j44 s LEU 45 CO 0.61 -1.06 1.43 -0.55 -1.32 0.00 0.00 176.35 175.46 2j44 s SER 46 N 2.19 6.48 0.00 3.68 0.15 -1.26 0.87 113.70 125.80 2j44 s SER 46 Ca 0.42 2.94 0.30 0.00 0.70 0.00 0.00 55.95 60.31 2j44 s SER 46 Cb -0.10 -2.66 1.46 0.00 -1.71 0.00 0.00 66.02 63.01 2j44 s SER 46 CO 0.25 -0.77 2.02 0.49 1.20 0.00 0.00 173.24 176.43 2j44 n PHE 47 N 0.59 0.00 -0.34 3.44 3.01 0.37 -3.78 117.46 120.75 2j44 n PHE 47 Ca 0.01 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.55 2j44 n PHE 47 Cb 0.40 -0.28 0.25 0.00 -0.01 0.00 0.00 39.48 39.83 2j44 n PHE 47 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 2j44 h LYS 48 N 0.07 0.86 -0.52 -1.08 5.09 -1.74 -2.02 116.57 117.23 2j44 h LYS 48 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 60.65 60.69 2j44 h LYS 48 Cb 0.31 -0.19 0.00 0.00 0.10 0.00 0.00 32.23 32.44 2j44 h LYS 48 CO 0.00 0.57 0.00 -0.25 -2.09 0.00 0.00 179.45 177.68 2j44 n ASP 49 N -4.69 5.00 -4.76 7.07 8.00 -1.25 -4.93 116.55 121.00 2j44 n ASP 49 Ca 0.19 -2.78 -0.41 0.00 0.71 0.00 0.00 54.79 52.49 2j44 n ASP 49 Cb 0.40 -0.61 -0.01 0.00 -0.02 0.00 0.00 41.12 40.87 2j44 n ASP 49 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2j44 s ALA 50 N -2.46 3.68 0.65 2.24 0.00 -0.76 -5.03 121.76 120.07 2j44 s ALA 50 Ca 0.50 1.51 -0.06 0.00 0.00 0.00 0.00 51.96 53.91 2j44 s ALA 50 Cb 0.37 -3.61 0.04 0.00 0.00 0.00 0.00 23.12 19.91 2j44 s ALA 50 CO 0.17 -0.94 0.96 0.15 0.00 0.00 0.00 175.76 176.10 2j44 s LYS 51 N -0.89 2.49 0.04 0.00 1.02 -1.08 -4.88 119.74 116.44 2j44 s LYS 51 Ca 0.60 -0.19 0.04 0.00 0.02 0.00 0.00 55.97 56.43 2j44 s LYS 51 Cb -0.46 -2.23 -0.02 0.00 -0.52 0.00 0.00 37.83 34.60 2j44 s LYS 51 CO 0.51 -1.00 -0.11 0.21 -0.92 0.00 0.00 175.35 174.03 2j44 s LYS 52 N -5.12 0.72 0.00 1.68 2.47 -1.26 -0.70 119.74 117.53 2j44 s LYS 52 Ca 0.58 -0.74 0.00 0.00 -1.56 0.00 0.00 55.97 54.25 2j44 s LYS 52 Cb -0.11 -0.65 0.00 0.00 -1.46 0.00 0.00 37.83 35.61 2j44 s LYS 52 CO 0.44 0.15 0.00 -0.40 0.16 0.00 0.00 175.35 175.70 2j44 n ASP 53 N 1.74 0.42 0.27 1.43 5.68 -0.01 -4.96 116.55 121.11 2j44 n ASP 53 Ca -0.20 -0.35 0.12 0.00 -0.50 0.00 0.00 54.79 53.86 2j44 n ASP 53 Cb 0.55 0.00 0.74 0.00 -1.14 0.00 0.00 41.12 41.27 2j44 n ASP 53 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2j44 h ASP 54 N 0.00 0.00 0.32 -1.12 3.32 -2.01 -3.02 116.42 113.91 2j44 h ASP 54 Ca 0.00 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.72 2j44 h ASP 54 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2j44 h ASP 54 CO 0.00 0.09 -1.70 0.22 -1.72 0.00 0.00 179.24 176.13 2j44 h TYR 55 N 0.00 0.50 0.00 4.55 3.20 -1.96 -3.51 116.97 119.76 2j44 h TYR 55 Ca -0.00 -0.37 0.00 0.00 3.14 0.00 0.00 58.73 61.50 2j44 h TYR 55 Cb 0.21 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.46 2j44 h TYR 55 CO 0.00 1.51 0.00 0.41 -1.64 0.00 0.00 178.16 178.44 2j44 n GLY 56 N 1.78 -0.49 3.89 1.82 0.00 -1.14 -4.57 105.19 106.47 2j44 n GLY 56 Ca -0.22 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 2j44 n GLY 56 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2j44 s TYR 57 N -3.87 3.18 -0.03 1.61 2.02 -0.52 -0.83 117.35 118.90 2j44 s TYR 57 Ca 0.00 0.93 -0.17 0.00 -0.37 0.00 0.00 57.07 57.46 2j44 s TYR 57 Cb 0.00 -3.23 0.03 0.00 -0.40 0.00 0.00 41.96 38.36 2j44 s TYR 57 CO 0.00 -1.41 0.37 1.52 -1.57 0.00 0.00 175.55 174.47 2j44 s TYR 58 N -3.44 -0.28 0.01 2.71 -0.85 0.12 -0.39 117.35 115.22 2j44 s TYR 58 Ca 0.60 0.47 0.04 0.00 -0.52 0.00 0.00 57.07 57.66 2j44 s TYR 58 Cb -0.11 0.15 -0.01 0.00 0.38 0.00 0.00 41.96 42.37 2j44 s TYR 58 CO 0.51 -0.40 -0.12 -0.51 -1.52 0.00 0.00 175.55 173.50 2j44 s LEU 59 N -1.15 2.07 -0.18 -3.49 1.02 -0.82 -2.63 118.68 113.49 2j44 s LEU 59 Ca -0.12 -0.29 -0.06 0.00 0.02 0.00 0.00 54.13 53.68 2j44 s LEU 59 Cb -0.04 -0.59 -0.03 0.00 0.02 0.00 0.00 46.19 45.55 2j44 s LEU 59 CO 0.05 0.10 0.02 -1.81 0.02 0.00 0.00 176.35 174.73 2j44 s ASP 60 N -0.55 5.22 -0.14 2.29 1.01 -1.26 -1.14 116.67 122.10 2j44 s ASP 60 Ca 0.03 -0.05 -0.00 0.00 0.71 0.00 0.00 52.55 53.24 2j44 s ASP 60 Cb -0.06 -1.88 -0.01 0.00 1.01 0.00 0.00 42.92 41.98 2j44 s ASP 60 CO 0.00 0.14 -0.13 -0.69 0.21 0.00 0.00 175.17 174.70 2j44 s VAL 61 N 0.57 3.02 0.03 -1.27 1.01 0.54 -4.88 120.40 119.42 2j44 s VAL 61 Ca 0.01 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 2j44 s VAL 61 Cb -0.14 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 2j44 s VAL 61 CO 0.02 0.52 1.24 -0.75 0.00 0.00 0.00 175.10 176.13 2j44 s LYS 62 N 0.43 4.38 0.29 2.72 2.36 -1.26 -0.46 119.74 128.21 2j44 s LYS 62 Ca -0.10 1.80 -0.15 0.00 -2.55 0.00 0.00 55.97 54.97 2j44 s LYS 62 Cb -0.16 -3.42 -0.09 0.00 -1.05 0.00 0.00 37.83 33.12 2j44 s LYS 62 CO 0.05 -0.36 0.72 -0.51 1.55 0.00 0.00 175.35 176.79 2j44 s LEU 63 N 1.51 4.12 -1.59 5.43 1.43 -0.41 -0.68 118.68 128.49 2j44 s LEU 63 Ca 0.59 1.27 -0.10 0.00 -1.03 0.00 0.00 54.13 54.87 2j44 s LEU 63 Cb -0.29 -3.95 -0.06 0.00 0.03 0.00 0.00 46.19 41.92 2j44 s LEU 63 CO 0.27 -0.15 2.88 1.17 0.23 0.00 0.00 176.35 180.75 2j44 n LYS 64 N -0.14 3.79 -3.86 1.70 4.81 0.35 -3.98 118.16 120.83 2j44 n LYS 64 Ca 0.02 -2.36 -0.11 0.00 -0.87 0.00 0.00 58.31 54.99 2j44 n LYS 64 Cb 0.53 -2.80 -0.09 0.00 0.02 0.00 0.00 35.03 32.69 2j44 n LYS 64 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2j44 s GLY 65 N 1.99 0.05 0.43 3.14 0.00 -1.26 -3.95 107.32 107.72 2j44 s GLY 65 Ca 0.67 -0.27 -0.05 0.00 0.00 0.00 0.00 44.72 45.08 2j44 s GLY 65 CO -0.06 -0.43 0.58 1.18 0.00 0.00 0.00 173.10 174.36 2j44 n GLU 66 N 0.86 -0.24 -2.46 2.90 -0.58 -1.26 -4.88 120.64 114.98 2j44 n GLU 66 Ca -0.20 -1.15 -0.42 0.00 -0.42 0.00 0.00 57.16 54.97 2j44 n GLU 66 Cb 0.58 -0.52 0.01 0.00 -0.57 0.00 0.00 31.44 30.94 2j44 n GLU 66 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2j44 n GLN 67 N -2.17 4.02 -1.70 3.49 1.13 -1.26 -5.11 117.38 115.77 2j44 n GLN 67 Ca 0.08 -3.81 -0.44 0.00 -1.94 0.00 0.00 57.00 50.90 2j44 n GLN 67 Cb 0.29 -2.77 -0.03 0.00 0.11 0.00 0.00 30.24 27.83 2j44 n GLN 67 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2j44 n ALA 68 N 2.84 2.18 0.00 -1.58 0.00 -1.25 -4.86 120.51 117.84 2j44 n ALA 68 Ca 0.39 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.25 2j44 n ALA 68 Cb 0.34 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.34 2j44 n ALA 68 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2j44 n LYS 69 N 3.54 1.54 -4.06 0.00 4.81 -1.26 -4.89 118.16 117.83 2j44 n LYS 69 Ca 0.16 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.28 2j44 n LYS 69 Cb 0.32 -0.52 -0.16 0.00 0.02 0.00 0.00 35.03 34.70 2j44 n LYS 69 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2j44 s LYS 70 N -0.80 2.59 -0.26 1.64 2.20 -1.26 -0.67 119.74 123.18 2j44 s LYS 70 Ca 0.00 -0.74 -0.04 0.00 -0.36 0.00 0.00 55.97 54.83 2j44 s LYS 70 Cb 0.00 -2.37 0.01 0.00 -1.51 0.00 0.00 37.83 33.96 2j44 s LYS 70 CO 0.00 -0.25 -0.00 0.42 -0.36 0.00 0.00 175.35 175.15 2j44 s ILE 71 N 1.37 3.43 0.08 5.43 1.09 0.35 -0.29 121.20 132.66 2j44 s ILE 71 Ca 0.04 -0.74 0.06 0.00 -1.10 0.00 0.00 60.65 58.90 2j44 s ILE 71 Cb -0.13 -2.70 -0.04 0.00 -1.06 0.00 0.00 42.46 38.53 2j44 s ILE 71 CO -0.11 0.22 -0.07 -0.44 -0.10 0.00 0.00 174.94 174.44 2j44 s SER 72 N 1.44 4.59 0.09 3.58 0.01 -1.00 0.02 113.70 122.43 2j44 s SER 72 Ca 0.03 -0.29 -0.26 0.00 1.31 0.00 0.00 55.95 56.74 2j44 s SER 72 Cb -0.16 -0.97 0.08 0.00 0.21 0.00 0.00 66.02 65.18 2j44 s SER 72 CO -0.02 0.20 0.87 0.72 0.41 0.00 0.00 173.24 175.42 2j44 s PHE 73 N -1.19 -0.28 0.16 2.43 -0.12 0.71 -1.20 117.98 118.49 2j44 s PHE 73 Ca 0.21 0.05 -0.12 0.00 -0.05 0.00 0.00 56.93 57.02 2j44 s PHE 73 Cb -0.11 0.59 0.01 0.00 -0.63 0.00 0.00 43.02 42.88 2j44 s PHE 73 CO 0.13 -0.73 0.35 -0.48 -0.05 0.00 0.00 175.22 174.44 2j44 s LEU 74 N -2.72 0.71 -0.21 -1.99 0.05 -0.32 -0.65 118.68 113.55 2j44 s LEU 74 Ca 0.08 -0.67 -0.09 0.00 0.05 0.00 0.00 54.13 53.49 2j44 s LEU 74 Cb -0.01 1.51 -0.05 0.00 -2.05 0.00 0.00 46.19 45.59 2j44 s LEU 74 CO -0.04 -0.91 0.12 -0.63 -0.55 0.00 0.00 176.35 174.33 2j44 s ILE 75 N -3.91 5.21 0.50 1.48 1.01 -1.26 -1.84 121.20 122.40 2j44 s ILE 75 Ca 0.12 0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.91 2j44 s ILE 75 Cb 0.02 -3.39 -0.02 0.00 0.01 0.00 0.00 42.46 39.09 2j44 s ILE 75 CO -0.04 0.42 0.04 0.54 0.00 0.00 0.00 174.94 175.91 2j44 s ASN 76 N 0.55 4.16 0.38 3.58 2.20 -0.73 -0.64 114.94 124.44 2j44 s ASN 76 Ca 0.07 -1.57 0.04 0.00 -0.94 0.00 0.00 52.86 50.45 2j44 s ASN 76 Cb -0.12 0.39 -0.04 0.00 -2.00 0.00 0.00 41.25 39.47 2j44 s ASN 76 CO 0.00 -0.82 0.08 0.54 -2.94 0.00 0.00 177.10 173.96 2j44 s ASN 77 N -3.90 2.73 0.53 3.54 2.20 -1.03 -1.96 114.94 117.05 2j44 s ASN 77 Ca 0.12 -1.51 0.34 0.00 -0.94 0.00 0.00 52.86 50.87 2j44 s ASN 77 Cb 0.02 0.19 1.58 0.00 -2.00 0.00 0.00 41.25 41.04 2j44 s ASN 77 CO 0.07 -0.75 2.03 0.71 -2.94 0.00 0.00 177.10 176.22 2j44 h THR 78 N 1.91 0.00 -0.60 0.54 1.35 -1.43 -3.36 112.91 111.32 2j44 h THR 78 Ca -0.39 -0.31 0.21 0.00 -0.55 0.00 0.00 66.41 65.37 2j44 h THR 78 Cb 1.26 1.24 -0.25 0.00 -1.73 0.00 0.00 68.15 68.67 2j44 h THR 78 CO 0.66 0.00 0.32 0.00 -0.25 0.00 0.00 175.52 176.24 2j44 s ALA 79 N -3.74 -3.02 -0.36 6.62 0.00 -1.26 -4.79 121.76 115.22 2j44 s ALA 79 Ca -0.00 1.87 0.14 0.00 0.00 0.00 0.00 51.96 53.96 2j44 s ALA 79 Cb 0.10 -2.20 0.41 0.00 0.00 0.00 0.00 23.12 21.42 2j44 s ALA 79 CO 0.47 -1.04 1.02 0.41 0.00 0.00 0.00 175.76 176.62 2j44 n GLY 80 N 4.91 1.80 3.85 0.00 0.00 -1.26 -5.13 105.19 109.35 2j44 n GLY 80 Ca -0.08 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.63 2j44 n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j44 s LYS 81 N -1.88 3.93 -0.66 1.61 3.01 -1.26 -4.85 119.74 119.64 2j44 s LYS 81 Ca 0.28 0.42 -0.20 0.00 -1.01 0.00 0.00 55.97 55.46 2j44 s LYS 81 Cb 0.41 -2.89 0.10 0.00 -1.01 0.00 0.00 37.83 34.44 2j44 s LYS 81 CO -0.02 0.46 0.83 1.21 0.51 0.00 0.00 175.35 178.34 2j44 s ASN 82 N -1.84 6.25 0.17 2.83 3.84 -1.26 -2.45 114.94 122.48 2j44 s ASN 82 Ca 0.39 -1.42 -0.04 0.00 0.21 0.00 0.00 52.86 52.00 2j44 s ASN 82 Cb -0.14 -2.34 0.05 0.00 -0.55 0.00 0.00 41.25 38.26 2j44 s ASN 82 CO 0.19 -1.19 1.44 -0.07 -2.79 0.00 0.00 177.10 174.69 2j44 h LEU 83 N 10.36 0.62 0.00 3.21 3.38 -1.22 -3.35 115.31 128.31 2j44 h LEU 83 Ca -0.23 -0.37 -0.17 0.00 0.09 0.00 0.00 57.88 57.21 2j44 h LEU 83 Cb 1.07 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 2j44 h LEU 83 CO 1.11 1.11 -1.83 0.35 0.09 0.00 0.00 178.44 179.27 2j44 n THR 84 N -3.90 0.87 0.00 0.22 -2.24 -1.20 -5.01 114.28 103.01 2j44 n THR 84 Ca -0.04 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 2j44 n THR 84 Cb 0.67 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 2j44 n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2j44 n GLY 85 N 1.44 -0.51 3.72 3.38 0.00 -1.26 -4.96 105.19 107.01 2j44 n GLY 85 Ca -0.14 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 2j44 n GLY 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2j44 s ASP 86 N -2.63 7.23 0.16 1.61 1.01 -1.26 -4.61 116.67 118.18 2j44 s ASP 86 Ca 0.00 1.98 0.09 0.00 0.71 0.00 0.00 52.55 55.33 2j44 s ASP 86 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 2j44 s ASP 86 CO 0.00 -0.30 -0.19 -0.54 0.21 0.00 0.00 175.17 174.35 2j44 s LYS 87 N 0.36 1.28 0.01 8.23 -0.14 0.17 -5.00 119.74 124.65 2j44 s LYS 87 Ca 0.53 -1.39 -0.01 0.00 -1.36 0.00 0.00 55.97 53.75 2j44 s LYS 87 Cb -0.28 -1.39 -0.01 0.00 -1.68 0.00 0.00 37.83 34.48 2j44 s LYS 87 CO 0.32 0.29 0.00 -1.12 -0.76 0.00 0.00 175.35 174.08 2j44 s SER 88 N -2.57 0.10 -0.05 2.83 0.01 -1.26 -0.21 113.70 112.56 2j44 s SER 88 Ca 0.15 -0.22 0.05 0.00 1.31 0.00 0.00 55.95 57.24 2j44 s SER 88 Cb -0.06 0.08 -0.01 0.00 0.21 0.00 0.00 66.02 66.23 2j44 s SER 88 CO 0.07 -0.16 -0.21 -0.69 0.41 0.00 0.00 173.24 172.65 2j44 s VAL 89 N -0.75 1.74 -0.19 3.43 1.01 0.10 -4.98 120.40 120.77 2j44 s VAL 89 Ca -0.08 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 60.95 2j44 s VAL 89 Cb -0.05 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 2j44 s VAL 89 CO -0.00 0.49 -0.00 -1.61 0.00 0.00 0.00 175.10 173.98 2j44 s GLU 90 N -0.13 3.64 0.07 2.72 2.02 -1.26 -0.49 118.70 125.27 2j44 s GLU 90 Ca -0.02 -0.51 -0.33 0.00 0.02 0.00 0.00 54.97 54.13 2j44 s GLU 90 Cb -0.12 -3.07 -0.12 0.00 0.10 0.00 0.00 34.13 30.92 2j44 s GLU 90 CO 0.02 0.05 1.79 1.63 0.02 0.00 0.00 175.26 178.77 2j44 n LYS 91 N 4.12 2.45 -0.11 1.61 5.02 0.15 -4.86 118.16 126.54 2j44 n LYS 91 Ca -0.17 0.89 -0.12 0.00 -2.02 0.00 0.00 58.31 56.89 2j44 n LYS 91 Cb 0.52 -2.74 -0.03 0.00 -0.02 0.00 0.00 35.03 32.75 2j44 n LYS 91 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2j44 h LEU 92 N 8.11 0.65 -8.48 -0.35 3.38 -1.92 -3.46 115.31 113.24 2j44 h LEU 92 Ca -0.47 -0.40 -0.24 0.00 0.09 0.00 0.00 57.88 56.86 2j44 h LEU 92 Cb 1.25 -0.18 -0.15 0.00 0.09 0.00 0.00 40.66 41.67 2j44 h LEU 92 CO 0.93 0.90 -0.70 0.68 0.09 0.00 0.00 178.44 180.34 2j44 s VAL 93 N -4.65 0.78 0.51 1.22 -7.23 -1.26 -5.05 120.40 104.71 2j44 s VAL 93 Ca -0.13 -1.96 0.31 0.00 -1.81 0.00 0.00 61.98 58.39 2j44 s VAL 93 Cb 0.09 -1.72 0.50 0.00 0.56 0.00 0.00 36.38 35.80 2j44 s VAL 93 CO 0.80 -0.84 1.82 -0.65 -0.31 0.00 0.00 175.10 175.91 2j44 h PRO 94 N 2.93 0.10 0.00 4.82 0.11 -1.93 -1.72 132.00 136.30 2j44 h PRO 94 Ca -0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2j44 h PRO 94 Cb 1.17 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2j44 h PRO 94 CO 0.64 0.06 -0.17 0.36 -0.21 0.00 0.00 178.00 178.69 2j44 n LYS 95 N -4.31 0.07 -1.66 1.05 0.00 -1.26 -4.81 118.16 107.24 2j44 n LYS 95 Ca 0.24 0.04 -0.43 0.00 -0.00 0.00 0.00 58.31 58.16 2j44 n LYS 95 Cb 1.08 -1.57 -0.03 0.00 -0.00 0.00 0.00 35.03 34.51 2j44 n LYS 95 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 2j44 n MET 96 N -1.69 2.74 0.00 -1.58 1.56 -0.65 -4.84 117.12 112.66 2j44 n MET 96 Ca 0.06 0.99 0.00 0.00 -0.27 0.00 0.00 57.70 58.48 2j44 n MET 96 Cb 0.36 -2.99 0.00 0.00 2.15 0.00 0.00 33.22 32.74 2j44 n MET 96 CO 0.00 0.00 0.00 0.27 -0.73 0.00 0.00 175.97 175.51 2j44 n ASN 97 N 7.76 0.62 -3.79 6.12 6.94 -1.26 -4.94 115.26 126.72 2j44 n ASN 97 Ca 0.21 -1.20 -0.13 0.00 -0.02 0.00 0.00 54.58 53.44 2j44 n ASN 97 Cb 0.40 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.73 2j44 n ASN 97 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2j44 s GLU 98 N -0.20 0.58 0.05 -3.83 2.02 -1.26 -0.35 118.70 115.70 2j44 s GLU 98 Ca 0.00 -0.15 -0.01 0.00 0.02 0.00 0.00 54.97 54.84 2j44 s GLU 98 Cb 0.00 0.26 -0.04 0.00 0.10 0.00 0.00 34.13 34.45 2j44 s GLU 98 CO 0.00 -0.15 -0.03 0.00 0.02 0.00 0.00 175.26 175.10 2j44 s ALA 99 N -1.12 0.46 -0.07 5.21 0.00 -0.13 -4.76 121.76 121.36 2j44 s ALA 99 Ca -0.12 -1.13 0.04 0.00 0.00 0.00 0.00 51.96 50.75 2j44 s ALA 99 Cb -0.05 0.25 -0.00 0.00 0.00 0.00 0.00 23.12 23.32 2j44 s ALA 99 CO 0.03 -0.34 -0.20 -1.58 0.00 0.00 0.00 175.76 173.67 2j44 s TRP 100 N -3.59 2.13 -0.25 0.00 0.51 -0.54 -0.64 118.94 116.56 2j44 s TRP 100 Ca 0.04 -0.76 -0.08 0.00 -2.12 0.00 0.00 56.10 53.18 2j44 s TRP 100 Cb 0.06 -1.44 -0.03 0.00 -0.81 0.00 0.00 33.47 31.25 2j44 s TRP 100 CO -0.09 -0.30 0.08 -1.17 -0.51 0.00 0.00 176.95 174.97 2j44 s LEU 101 N 0.24 3.54 0.00 2.99 0.20 0.70 -1.15 118.68 125.20 2j44 s LEU 101 Ca -0.12 -0.16 -0.01 0.00 0.69 0.00 0.00 54.13 54.54 2j44 s LEU 101 Cb -0.15 -1.95 0.03 0.00 -0.43 0.00 0.00 46.19 43.68 2j44 s LEU 101 CO 0.05 -0.02 0.18 -0.90 -0.29 0.00 0.00 176.35 175.37 2j44 n ASP 102 N 4.80 0.16 0.25 3.68 5.75 -0.75 -0.99 116.55 129.45 2j44 n ASP 102 Ca -0.16 -1.15 0.10 0.00 -0.01 0.00 0.00 54.79 53.56 2j44 n ASP 102 Cb 0.52 -0.12 0.64 0.00 -1.03 0.00 0.00 41.12 41.12 2j44 n ASP 102 CO 0.00 0.00 0.00 0.06 -0.11 0.00 0.00 177.20 177.15 2j44 h GLN 103 N 0.00 0.00 -0.60 0.11 3.07 -1.91 -1.17 115.11 114.61 2j44 h GLN 103 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.68 2j44 h GLN 103 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.76 2j44 h GLN 103 CO 0.05 0.15 0.00 -0.25 0.09 0.00 0.00 178.83 178.88 2j44 n ASP 104 N -3.90 3.53 -2.88 0.06 8.00 -1.26 -4.95 116.55 115.15 2j44 n ASP 104 Ca -0.02 -2.21 -0.22 0.00 0.71 0.00 0.00 54.79 53.05 2j44 n ASP 104 Cb 0.24 -0.46 0.02 0.00 -0.02 0.00 0.00 41.12 40.90 2j44 n ASP 104 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2j44 n TYR 105 N 0.98 -1.71 -2.86 1.24 0.53 -0.44 -5.01 117.16 109.88 2j44 n TYR 105 Ca 0.20 0.38 -0.34 0.00 -1.02 0.00 0.00 57.90 57.11 2j44 n TYR 105 Cb 0.63 -4.18 -0.07 0.00 -1.03 0.00 0.00 39.34 34.69 2j44 n TYR 105 CO 0.00 0.00 0.00 0.15 -1.02 0.00 0.00 176.86 175.99 2j44 s LYS 106 N -5.55 4.31 -0.16 -0.72 1.02 -1.26 -4.83 119.74 112.55 2j44 s LYS 106 Ca 0.23 1.11 -0.06 0.00 0.02 0.00 0.00 55.97 57.27 2j44 s LYS 106 Cb -0.10 -2.44 -0.04 0.00 -0.52 0.00 0.00 37.83 34.73 2j44 s LYS 106 CO 0.28 0.11 0.03 0.08 -0.92 0.00 0.00 175.35 174.93 2j44 s VAL 107 N -1.95 4.52 0.15 3.17 1.01 -1.26 -1.81 120.40 124.23 2j44 s VAL 107 Ca 0.56 -0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.48 2j44 s VAL 107 Cb -0.12 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 2j44 s VAL 107 CO 0.17 0.50 -0.17 -0.36 0.00 0.00 0.00 175.10 175.25 2j44 s PHE 108 N 0.09 1.65 -2.18 5.22 0.40 -0.30 -4.97 117.98 117.89 2j44 s PHE 108 Ca 0.03 -0.50 0.18 0.00 -0.60 0.00 0.00 56.93 56.04 2j44 s PHE 108 Cb -0.13 -0.84 0.68 0.00 0.51 0.00 0.00 43.02 43.24 2j44 s PHE 108 CO 0.01 0.25 1.49 -1.13 0.70 0.00 0.00 175.22 176.55 2j44 n SER 109 N 0.39 1.48 -3.95 1.36 3.41 -1.26 -1.47 113.62 113.58 2j44 n SER 109 Ca -0.14 -1.74 -0.10 0.00 -0.26 0.00 0.00 58.87 56.63 2j44 n SER 109 Cb 0.57 -0.12 -0.07 0.00 -0.26 0.00 0.00 64.21 64.33 2j44 n SER 109 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2j44 s TYR 110 N -1.77 0.38 -0.17 7.33 -0.85 -1.26 -4.70 117.35 116.32 2j44 s TYR 110 Ca 0.29 -0.75 -0.29 0.00 -0.52 0.00 0.00 57.07 55.80 2j44 s TYR 110 Cb 0.15 -0.04 -0.02 0.00 0.38 0.00 0.00 41.96 42.43 2j44 s TYR 110 CO 0.23 -0.73 1.43 -2.00 -1.52 0.00 0.00 175.55 172.96 2j44 s GLU 111 N -3.97 4.09 0.50 -3.49 2.12 -1.26 -4.53 118.70 112.16 2j44 s GLU 111 Ca 0.17 1.72 -0.21 0.00 0.36 0.00 0.00 54.97 57.01 2j44 s GLU 111 Cb 0.03 -3.89 -0.07 0.00 0.26 0.00 0.00 34.13 30.47 2j44 s GLU 111 CO 0.00 -0.91 1.12 -1.25 -0.54 0.00 0.00 175.26 173.68 2j44 s PRO 112 N 3.95 3.61 0.33 4.30 0.04 -1.26 -4.92 135.00 141.05 2j44 s PRO 112 Ca 0.62 1.62 0.07 0.00 0.04 0.00 0.00 61.00 63.36 2j44 s PRO 112 Cb -0.24 -2.19 -0.02 0.00 0.04 0.00 0.00 34.50 32.08 2j44 s PRO 112 CO 0.22 -0.64 0.33 -0.65 0.04 0.00 0.00 177.00 176.31 2j44 s GLN 113 N -3.02 2.84 0.56 4.56 -1.52 -1.26 -5.07 119.66 116.75 2j44 s GLN 113 Ca 0.68 -1.21 -0.20 0.00 -1.95 0.00 0.00 55.36 52.67 2j44 s GLN 113 Cb -0.24 -2.57 -0.05 0.00 -0.22 0.00 0.00 33.01 29.93 2j44 s GLN 113 CO 0.28 0.10 1.11 -2.30 -0.25 0.00 0.00 175.29 174.24 2j44 n PRO 114 N -1.43 1.22 -1.32 2.91 -0.02 -1.26 -4.92 135.00 130.17 2j44 n PRO 114 Ca -0.02 0.46 -0.36 0.00 -2.02 0.00 0.00 63.50 61.56 2j44 n PRO 114 Cb 0.59 -2.29 0.08 0.00 -0.02 0.00 0.00 33.50 31.86 2j44 n PRO 114 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2j44 n ALA 115 N -1.35 -0.61 -2.43 3.55 0.00 -1.26 -3.20 120.51 115.21 2j44 n ALA 115 Ca 0.12 -0.21 -0.12 0.00 0.00 0.00 0.00 53.44 53.23 2j44 n ALA 115 Cb 0.45 -2.04 0.01 0.00 0.00 0.00 0.00 19.45 17.87 2j44 n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2j44 n GLY 116 N 1.24 -0.06 3.14 0.00 0.00 -1.26 -5.03 105.19 103.21 2j44 n GLY 116 Ca 0.12 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 2j44 n GLY 116 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2j44 s THR 117 N -2.72 0.04 -0.17 2.61 2.01 -1.20 -2.81 115.64 113.40 2j44 s THR 117 Ca 0.08 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.73 2j44 s THR 117 Cb -0.03 -0.43 0.01 0.00 0.01 0.00 0.00 72.50 72.06 2j44 s THR 117 CO 0.09 -0.20 -0.19 0.54 -0.69 0.00 0.00 174.62 174.18 2j44 s VAL 118 N -0.75 2.22 -0.21 3.82 0.11 -0.81 -4.62 120.40 120.16 2j44 s VAL 118 Ca -0.08 -0.90 -0.26 0.00 -2.93 0.00 0.00 61.98 57.81 2j44 s VAL 118 Cb -0.05 -1.93 -0.01 0.00 -1.53 0.00 0.00 36.38 32.87 2j44 s VAL 118 CO 0.02 0.53 0.88 -0.60 -3.33 0.00 0.00 175.10 172.60 2j44 s ARG 119 N 1.17 4.25 -0.42 1.54 3.52 0.85 -0.66 118.95 129.19 2j44 s ARG 119 Ca 0.02 1.08 -0.15 0.00 -0.13 0.00 0.00 55.73 56.54 2j44 s ARG 119 Cb -0.14 -3.61 0.03 0.00 -1.56 0.00 0.00 34.95 29.67 2j44 s ARG 119 CO -0.09 -0.46 0.33 0.08 -0.81 0.00 0.00 175.30 174.35 2j44 s VAL 120 N 2.62 5.24 -0.05 7.11 1.01 0.98 -1.17 120.40 136.14 2j44 s VAL 120 Ca 0.39 -0.68 -0.17 0.00 0.00 0.00 0.00 61.98 61.51 2j44 s VAL 120 Cb -0.16 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 2j44 s VAL 120 CO 0.09 -0.36 0.48 0.20 0.00 0.00 0.00 175.10 175.51 2j44 s ASN 121 N 1.82 6.79 -0.10 3.32 0.01 -0.01 -1.39 114.94 125.38 2j44 s ASN 121 Ca 0.06 0.94 -0.00 0.00 -0.71 0.00 0.00 52.86 53.15 2j44 s ASN 121 Cb -0.19 -2.29 0.02 0.00 0.41 0.00 0.00 41.25 39.20 2j44 s ASN 121 CO 0.10 0.14 -0.07 -0.47 -1.51 0.00 0.00 177.10 175.29 2j44 s TYR 122 N -0.17 1.37 -0.12 2.20 5.04 0.91 -0.32 117.35 126.27 2j44 s TYR 122 Ca 0.26 -0.65 -0.00 0.00 -2.44 0.00 0.00 57.07 54.24 2j44 s TYR 122 Cb -0.16 -1.16 -0.02 0.00 0.35 0.00 0.00 41.96 40.97 2j44 s TYR 122 CO 0.13 -0.46 -0.11 -0.47 -1.34 0.00 0.00 175.55 173.29 2j44 s TYR 123 N 1.62 2.85 -0.16 4.97 5.04 -0.21 0.06 117.35 131.53 2j44 s TYR 123 Ca 0.03 -0.45 -0.01 0.00 -2.44 0.00 0.00 57.07 54.19 2j44 s TYR 123 Cb -0.13 -1.82 -0.01 0.00 0.35 0.00 0.00 41.96 40.34 2j44 s TYR 123 CO -0.07 -0.08 -0.10 1.03 -1.34 0.00 0.00 175.55 174.99 2j44 s ARG 124 N 0.10 3.40 0.30 4.97 1.81 -1.26 -0.89 118.95 127.38 2j44 s ARG 124 Ca -0.05 -0.66 0.02 0.00 -1.72 0.00 0.00 55.73 53.32 2j44 s ARG 124 Cb -0.14 -2.75 0.56 0.00 -0.45 0.00 0.00 34.95 32.16 2j44 s ARG 124 CO 0.04 0.10 1.87 1.15 -0.68 0.00 0.00 175.30 177.78 2j44 h THR 125 N 5.47 0.98 -1.77 0.02 2.02 -1.97 -3.42 112.91 114.24 2j44 h THR 125 Ca -0.31 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.53 2j44 h THR 125 Cb 1.19 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 2j44 h THR 125 CO 0.58 0.18 0.00 -0.90 0.37 0.00 0.00 175.52 175.75 2j44 n ASP 126 N -4.55 0.00 -0.02 4.18 3.85 -1.26 -5.09 116.55 113.66 2j44 n ASP 126 Ca 0.17 -0.33 0.00 0.00 -0.71 0.00 0.00 54.79 53.92 2j44 n ASP 126 Cb 0.29 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.06 2j44 n ASP 126 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2j44 n GLY 127 N 5.00 0.63 0.00 6.12 0.00 -1.26 -4.95 105.19 110.74 2j44 n GLY 127 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.18 2j44 n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2j44 n ASN 128 N -3.56 0.00 0.00 1.61 5.15 -1.26 -4.97 115.26 112.23 2j44 n ASN 128 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2j44 n ASN 128 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2j44 n ASN 128 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2j44 n TYR 129 N 0.00 0.00 -3.95 1.20 0.53 -1.26 -4.88 117.16 108.79 2j44 n TYR 129 Ca 0.00 0.00 -0.33 0.00 -1.02 0.00 0.00 57.90 56.55 2j44 n TYR 129 Cb 0.00 0.00 -0.14 0.00 -1.03 0.00 0.00 39.34 38.17 2j44 n TYR 129 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 2j44 s ASP 130 N 0.00 4.81 -0.67 7.72 1.11 -1.26 -1.63 116.67 126.75 2j44 s ASP 130 Ca 0.00 -1.66 0.05 0.00 0.18 0.00 0.00 52.55 51.12 2j44 s ASP 130 Cb 0.00 -1.67 0.17 0.00 1.07 0.00 0.00 42.92 42.49 2j44 s ASP 130 CO 0.00 -0.32 0.46 -0.54 1.18 0.00 0.00 175.17 175.95 2j44 s LYS 131 N 1.10 2.31 -0.14 8.23 1.02 -1.26 -5.03 119.74 125.98 2j44 s LYS 131 Ca 0.00 -3.20 -0.07 0.00 0.02 0.00 0.00 55.97 52.72 2j44 s LYS 131 Cb -0.20 -3.28 -0.04 0.00 -0.52 0.00 0.00 37.83 33.79 2j44 s LYS 131 CO -0.04 -1.28 0.13 0.15 -0.92 0.00 0.00 175.35 173.39 2j44 s LYS 132 N -1.25 3.58 0.12 1.68 -0.14 -0.65 -1.16 119.74 121.93 2j44 s LYS 132 Ca 0.25 -0.17 -0.09 0.00 -1.36 0.00 0.00 55.97 54.60 2j44 s LYS 132 Cb -0.06 -3.22 -0.00 0.00 -1.68 0.00 0.00 37.83 32.87 2j44 s LYS 132 CO -0.15 0.67 0.23 -1.54 -0.76 0.00 0.00 175.35 173.80 2j44 s SER 133 N -0.71 0.08 -0.16 2.83 1.04 -0.42 0.02 113.70 116.38 2j44 s SER 133 Ca 0.13 -0.74 -0.02 0.00 0.48 0.00 0.00 55.95 55.80 2j44 s SER 133 Cb -0.12 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 2j44 s SER 133 CO 0.03 -0.80 -0.08 -0.22 0.98 0.00 0.00 173.24 173.15 2j44 s LEU 134 N -2.90 2.90 -0.24 2.42 2.96 0.17 -0.05 118.68 123.93 2j44 s LEU 134 Ca 0.10 -0.30 -0.09 0.00 -0.22 0.00 0.00 54.13 53.62 2j44 s LEU 134 Cb 0.04 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 2j44 s LEU 134 CO -0.06 0.11 0.11 0.86 -1.32 0.00 0.00 176.35 176.05 2j44 s TRP 135 N 0.69 3.19 0.07 5.38 -0.11 -0.55 -0.93 118.94 126.69 2j44 s TRP 135 Ca -0.04 -0.06 -0.01 0.00 1.22 0.00 0.00 56.10 57.20 2j44 s TRP 135 Cb -0.15 -2.24 -0.04 0.00 -1.50 0.00 0.00 33.47 29.55 2j44 s TRP 135 CO 0.02 -0.11 0.00 1.52 -4.62 0.00 0.00 176.95 173.76 2j44 s TYR 136 N 1.24 0.56 0.30 5.86 -0.85 -1.26 -0.13 117.35 123.08 2j44 s TYR 136 Ca 0.06 -1.07 -0.17 0.00 -0.52 0.00 0.00 57.07 55.36 2j44 s TYR 136 Cb -0.14 -0.39 0.02 0.00 0.38 0.00 0.00 41.96 41.83 2j44 s TYR 136 CO 0.05 -0.42 0.68 1.67 -1.52 0.00 0.00 175.55 176.01 2j44 s TRP 137 N -3.94 0.04 -0.02 -3.49 -2.14 -0.57 -0.97 118.94 107.85 2j44 s TRP 137 Ca 0.10 -0.53 -0.01 0.00 2.66 0.00 0.00 56.10 58.32 2j44 s TRP 137 Cb 0.08 0.62 0.00 0.00 -3.10 0.00 0.00 33.47 31.07 2j44 s TRP 137 CO -0.08 -1.28 0.02 0.41 -2.66 0.00 0.00 176.95 173.36 2j44 n GLY 138 N -0.47 -3.13 2.05 3.67 0.00 -1.26 -2.03 105.19 104.02 2j44 n GLY 138 Ca -0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 46.02 45.80 2j44 n GLY 138 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2j44 n ASP 139 N 0.15 -2.35 -4.38 1.61 9.92 -1.26 -3.81 116.55 116.43 2j44 n ASP 139 Ca -0.03 0.02 -0.30 0.00 -0.53 0.00 0.00 54.79 53.96 2j44 n ASP 139 Cb 0.05 -0.94 -0.14 0.00 -0.64 0.00 0.00 41.12 39.45 2j44 n ASP 139 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2j44 s VAL 140 N -2.09 2.30 0.14 2.53 -7.23 -1.24 -4.52 120.40 110.29 2j44 s VAL 140 Ca 0.00 -1.54 -0.17 0.00 -1.81 0.00 0.00 61.98 58.46 2j44 s VAL 140 Cb 0.00 -1.96 -0.01 0.00 0.56 0.00 0.00 36.38 34.96 2j44 s VAL 140 CO 0.00 0.23 1.78 0.11 -0.31 0.00 0.00 175.10 176.91 2j44 h LYS 141 N 4.31 0.34 -2.95 4.82 1.57 -0.89 -3.37 116.57 120.39 2j44 h LYS 141 Ca -0.49 -0.02 -0.62 0.00 -1.87 0.00 0.00 60.65 57.66 2j44 h LYS 141 Cb 1.16 -0.08 -0.41 0.00 0.08 0.00 0.00 32.23 32.98 2j44 h LYS 141 CO 0.42 0.22 -0.63 0.09 -0.57 0.00 0.00 179.45 178.98 2j44 n ASN 142 N -4.94 2.56 -4.77 0.86 3.02 -1.26 -5.10 115.26 105.63 2j44 n ASN 142 Ca -0.00 -3.10 -0.41 0.00 -0.03 0.00 0.00 54.58 51.03 2j44 n ASN 142 Cb 0.06 -0.73 -0.01 0.00 -0.61 0.00 0.00 39.78 38.50 2j44 n ASN 142 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2j44 s PRO 143 N -1.29 4.15 -0.26 3.52 0.04 -1.26 -4.85 135.00 135.06 2j44 s PRO 143 Ca 0.26 2.51 -0.42 0.00 0.04 0.00 0.00 61.00 63.40 2j44 s PRO 143 Cb -0.02 -3.00 -0.18 0.00 0.04 0.00 0.00 34.50 31.34 2j44 s PRO 143 CO -0.17 -0.49 1.55 0.43 0.04 0.00 0.00 177.00 178.35 2j44 n SER 144 N 0.82 1.58 -2.90 6.66 7.64 -0.14 -4.91 113.62 122.38 2j44 n SER 144 Ca 0.02 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.03 2j44 n SER 144 Cb 0.39 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 2j44 n SER 144 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2j44 s SER 145 N 2.43 -0.80 0.00 6.43 1.04 -1.26 -4.93 113.70 116.61 2j44 s SER 145 Ca 0.97 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.89 2j44 s SER 145 Cb -1.22 1.03 0.00 0.00 0.10 0.00 0.00 66.02 65.94 2j44 s SER 145 CO 0.67 -0.08 0.00 0.00 0.98 0.00 0.00 173.24 174.81 2j44 n ALA 146 N 3.73 0.00 -2.39 5.32 0.00 -1.26 -5.12 120.51 120.78 2j44 n ALA 146 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.51 2j44 n ALA 146 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 2j44 n ALA 146 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2j44 n GLN 147 N 0.00 -2.25 -1.15 0.00 0.00 -1.26 -4.72 117.38 108.00 2j44 n GLN 147 Ca 0.00 1.99 -0.42 0.00 -0.00 0.00 0.00 57.00 58.56 2j44 n GLN 147 Cb 0.00 -4.24 -0.04 0.00 0.00 0.00 0.00 30.24 25.96 2j44 n GLN 147 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.06 178.93 2j44 n TRP 148 N 0.23 0.06 -2.77 3.69 -0.00 -1.26 -2.71 117.44 114.67 2j44 n TRP 148 Ca 0.03 0.81 -0.34 0.00 -0.00 0.00 0.00 57.50 57.99 2j44 n TRP 148 Cb 0.10 -1.61 -0.01 0.00 -0.00 0.00 0.00 31.31 29.80 2j44 n TRP 148 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 2j44 n PRO 149 N 0.99 4.42 -3.58 5.87 -0.04 -1.26 -5.12 135.00 136.28 2j44 n PRO 149 Ca 0.15 -4.76 -0.21 0.00 -0.04 0.00 0.00 63.50 58.65 2j44 n PRO 149 Cb 0.13 -2.36 -0.15 0.00 -0.04 0.00 0.00 33.50 31.08 2j44 n PRO 149 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2j44 s ASP 150 N -2.33 1.59 0.00 3.54 -4.77 -1.10 -4.85 116.67 108.74 2j44 s ASP 150 Ca 0.44 -0.24 0.00 0.00 -3.30 0.00 0.00 52.55 49.45 2j44 s ASP 150 Cb 0.23 0.12 0.00 0.00 -1.09 0.00 0.00 42.92 42.18 2j44 s ASP 150 CO -0.14 -0.32 0.00 0.61 0.70 0.00 0.00 175.17 176.03 2j44 n GLY 151 N 5.31 1.30 3.68 2.12 0.00 -1.26 -4.57 105.19 111.77 2j44 n GLY 151 Ca -0.06 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 2j44 n GLY 151 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2j44 s THR 152 N 0.00 4.01 0.36 2.61 2.01 -0.10 -4.72 115.64 119.81 2j44 s THR 152 Ca 0.00 1.32 -0.27 0.00 0.31 0.00 0.00 61.69 63.05 2j44 s THR 152 Cb 0.00 -3.85 -0.09 0.00 0.01 0.00 0.00 72.50 68.57 2j44 s THR 152 CO 0.00 -0.05 1.20 -1.81 -0.69 0.00 0.00 174.62 173.27 2j44 s ASP 153 N 1.95 6.72 -0.68 3.53 1.01 -1.26 0.41 116.67 128.35 2j44 s ASP 153 Ca 0.60 2.44 -0.24 0.00 0.71 0.00 0.00 52.55 56.07 2j44 s ASP 153 Cb -0.27 -2.63 0.06 0.00 1.01 0.00 0.00 42.92 41.09 2j44 s ASP 153 CO 0.22 -0.55 1.05 -0.36 0.21 0.00 0.00 175.17 175.74 2j44 s PHE 154 N -1.28 2.58 -0.00 4.23 0.40 0.10 -4.79 117.98 119.22 2j44 s PHE 154 Ca 0.52 -0.44 -0.00 0.00 -0.60 0.00 0.00 56.93 56.41 2j44 s PHE 154 Cb -0.34 -4.38 -0.00 0.00 0.51 0.00 0.00 43.02 38.81 2j44 s PHE 154 CO 0.44 -1.75 -0.00 2.41 0.70 0.00 0.00 175.22 177.01 2j44 n THR 155 N 6.03 0.02 -2.22 0.64 -1.04 -1.26 -4.78 114.28 111.67 2j44 n THR 155 Ca -0.02 -0.01 -0.40 0.00 -2.04 0.00 0.00 64.05 61.59 2j44 n THR 155 Cb 0.46 -0.86 -0.02 0.00 -1.82 0.00 0.00 70.33 68.09 2j44 n THR 155 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2j44 s ALA 156 N -2.01 3.37 -0.15 2.41 0.00 -1.26 -4.96 121.76 119.16 2j44 s ALA 156 Ca -0.01 1.12 -0.02 0.00 0.00 0.00 0.00 51.96 53.05 2j44 s ALA 156 Cb 0.00 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 2j44 s ALA 156 CO 0.01 -0.54 -0.09 0.99 0.00 0.00 0.00 175.76 176.13 2j44 s THR 157 N -1.22 3.35 0.00 0.00 2.01 -1.26 -1.62 115.64 116.90 2j44 s THR 157 Ca 0.51 -0.55 0.00 0.00 0.31 0.00 0.00 61.69 61.96 2j44 s THR 157 Cb -0.36 -2.45 0.00 0.00 0.01 0.00 0.00 72.50 69.71 2j44 s THR 157 CO 0.47 0.50 0.00 0.61 -0.69 0.00 0.00 174.62 175.51 2j44 n GLY 158 N 3.70 6.53 0.20 4.40 0.00 -0.90 -4.97 105.19 114.15 2j44 n GLY 158 Ca -0.18 -1.78 0.07 0.00 0.00 0.00 0.00 46.02 44.13 2j44 n GLY 158 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2j44 h LYS 159 N 0.00 0.00 -1.07 1.61 1.57 -1.99 -3.36 116.57 113.32 2j44 h LYS 159 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 2j44 h LYS 159 Cb 0.00 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 31.89 2j44 h LYS 159 CO 0.00 0.33 -0.79 0.66 -0.57 0.00 0.00 179.45 179.07 2j44 n TYR 160 N -3.52 2.99 -1.72 -1.35 4.01 -1.26 -5.07 117.16 111.24 2j44 n TYR 160 Ca -0.00 -2.60 0.00 0.00 -0.16 0.00 0.00 57.90 55.13 2j44 n TYR 160 Cb 0.47 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 2j44 n TYR 160 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2j44 n GLY 161 N -0.60 -1.61 3.91 2.72 0.00 -1.26 -3.93 105.19 104.42 2j44 n GLY 161 Ca 0.41 -1.69 -0.28 0.00 0.00 0.00 0.00 46.02 44.45 2j44 n GLY 161 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2j44 s ARG 162 N 0.00 1.90 0.06 1.61 1.81 0.11 -2.11 118.95 122.33 2j44 s ARG 162 Ca 0.00 -0.02 -0.17 0.00 -1.72 0.00 0.00 55.73 53.82 2j44 s ARG 162 Cb 0.00 -1.99 0.03 0.00 -0.45 0.00 0.00 34.95 32.54 2j44 s ARG 162 CO 0.00 -1.59 0.39 1.52 -0.68 0.00 0.00 175.30 174.94 2j44 s TYR 163 N -3.53 -0.22 -0.05 -0.53 -0.85 -0.64 -0.06 117.35 111.47 2j44 s TYR 163 Ca 0.63 0.10 0.03 0.00 -0.52 0.00 0.00 57.07 57.30 2j44 s TYR 163 Cb -0.10 0.20 0.01 0.00 0.38 0.00 0.00 41.96 42.45 2j44 s TYR 163 CO 0.48 -0.59 -0.12 0.42 -1.52 0.00 0.00 175.55 174.22 2j44 s ILE 164 N -2.80 1.11 -0.17 -3.49 1.01 -0.49 -4.15 121.20 112.24 2j44 s ILE 164 Ca -0.03 -0.49 -0.20 0.00 0.00 0.00 0.00 60.65 59.93 2j44 s ILE 164 Cb -0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.43 2j44 s ILE 164 CO -0.05 0.34 0.56 -1.81 0.00 0.00 0.00 174.94 173.99 2j44 s ASP 165 N 0.48 6.67 -0.24 3.58 1.01 -1.26 -0.02 116.67 126.91 2j44 s ASP 165 Ca -0.11 0.81 -0.04 0.00 0.71 0.00 0.00 52.55 53.92 2j44 s ASP 165 Cb -0.14 -2.32 -0.00 0.00 1.01 0.00 0.00 42.92 41.47 2j44 s ASP 165 CO 0.03 -0.16 -0.02 -0.63 0.21 0.00 0.00 175.17 174.59 2j44 s ILE 166 N 1.41 3.47 0.06 0.77 1.01 0.16 -4.97 121.20 123.11 2j44 s ILE 166 Ca 0.27 -0.55 -0.32 0.00 0.00 0.00 0.00 60.65 60.06 2j44 s ILE 166 Cb -0.16 -2.63 -0.11 0.00 0.01 0.00 0.00 42.46 39.58 2j44 s ILE 166 CO 0.11 0.35 1.88 -2.65 0.00 0.00 0.00 174.94 174.62 2j44 n PRO 167 N 4.80 2.67 -0.01 2.79 -0.02 -1.26 -1.92 135.00 142.05 2j44 n PRO 167 Ca -0.17 0.97 -0.00 0.00 -2.02 0.00 0.00 63.50 62.28 2j44 n PRO 167 Cb 0.50 -2.87 -0.00 0.00 -0.02 0.00 0.00 33.50 31.11 2j44 n PRO 167 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2j44 h LEU 168 N 9.19 0.00 0.00 2.45 4.07 -1.82 -1.49 115.31 127.71 2j44 h LEU 168 Ca -0.48 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.48 2j44 h LEU 168 Cb 1.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.98 2j44 h LEU 168 CO 0.94 0.08 0.00 -0.46 -1.08 0.00 0.00 178.44 177.92 2j44 n ASN 169 N -2.45 0.00 0.00 -0.43 2.04 -1.26 -2.38 115.26 110.77 2j44 n ASN 169 Ca -0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 2j44 n ASN 169 Cb 0.00 0.33 0.00 0.00 -2.53 0.00 0.00 39.78 37.58 2j44 n ASN 169 CO 0.00 0.00 0.00 1.21 -0.44 0.00 0.00 177.26 178.03 2j44 n GLU 170 N -0.17 0.00 -3.15 -3.83 4.07 -1.26 -2.49 120.64 113.81 2j44 n GLU 170 Ca 0.00 0.00 -0.44 0.00 -0.06 0.00 0.00 57.16 56.66 2j44 n GLU 170 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2j44 n GLU 170 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2j44 n ALA 171 N 3.69 4.36 -1.66 4.31 0.00 -1.26 -5.04 120.51 124.92 2j44 n ALA 171 Ca 0.00 -4.58 -0.46 0.00 0.00 0.00 0.00 53.44 48.40 2j44 n ALA 171 Cb 0.00 -2.60 -0.04 0.00 0.00 0.00 0.00 19.45 16.81 2j44 n ALA 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j44 n ALA 172 N 3.17 0.88 -0.05 0.00 0.00 -1.04 -4.91 120.51 118.55 2j44 n ALA 172 Ca 0.28 0.44 -0.08 0.00 0.00 0.00 0.00 53.44 54.08 2j44 n ALA 172 Cb 0.39 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.54 2j44 n ALA 172 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2j44 n ARG 173 N 2.57 0.38 -3.74 0.00 3.00 -1.26 -3.91 116.66 113.70 2j44 n ARG 173 Ca 0.14 0.15 -0.13 0.00 -0.00 0.00 0.00 57.85 58.02 2j44 n ARG 173 Cb 0.29 -1.16 -0.10 0.00 0.00 0.00 0.00 32.46 31.49 2j44 n ARG 173 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2j44 s GLU 174 N -2.60 0.46 0.05 -0.14 2.12 -1.26 -2.05 118.70 115.28 2j44 s GLU 174 Ca -0.21 0.55 -0.01 0.00 0.36 0.00 0.00 54.97 55.66 2j44 s GLU 174 Cb 0.04 0.22 -0.04 0.00 0.26 0.00 0.00 34.13 34.61 2j44 s GLU 174 CO 0.31 -0.06 -0.03 -0.59 -0.54 0.00 0.00 175.26 174.35 2j44 s PHE 175 N 0.24 0.53 0.24 5.30 -0.12 0.82 -4.12 117.98 120.88 2j44 s PHE 175 Ca -0.00 -1.05 0.11 0.00 -0.05 0.00 0.00 56.93 55.94 2j44 s PHE 175 Cb -0.03 -0.39 -0.05 0.00 -0.63 0.00 0.00 43.02 41.92 2j44 s PHE 175 CO 0.00 -0.36 -0.21 0.20 -0.05 0.00 0.00 175.22 174.80 2j44 s GLY 176 N -2.88 1.75 0.16 1.99 0.00 -0.86 -0.04 107.32 107.43 2j44 s GLY 176 Ca 0.07 -1.75 -0.24 0.00 0.00 0.00 0.00 44.72 42.80 2j44 s GLY 176 CO -0.09 -1.82 0.69 -0.11 0.00 0.00 0.00 173.10 171.77 2j44 s PHE 177 N -2.22 -0.42 -0.04 1.90 -0.12 -0.90 -1.51 117.98 114.66 2j44 s PHE 177 Ca 0.25 0.17 0.03 0.00 -0.05 0.00 0.00 56.93 57.33 2j44 s PHE 177 Cb -0.06 0.59 0.01 0.00 -0.63 0.00 0.00 43.02 42.93 2j44 s PHE 177 CO 0.12 -0.88 -0.12 -0.51 -0.05 0.00 0.00 175.22 173.78 2j44 s LEU 178 N -2.75 1.76 0.08 -1.99 1.43 0.82 -1.28 118.68 116.75 2j44 s LEU 178 Ca 0.04 -0.26 -0.30 0.00 -1.03 0.00 0.00 54.13 52.58 2j44 s LEU 178 Cb -0.02 -0.75 -0.05 0.00 0.03 0.00 0.00 46.19 45.40 2j44 s LEU 178 CO -0.08 0.08 1.02 -0.76 0.23 0.00 0.00 176.35 176.84 2j44 s LEU 179 N 0.32 4.44 -0.03 1.79 1.43 -1.26 -1.49 118.68 123.88 2j44 s LEU 179 Ca -0.07 1.83 0.07 0.00 -1.03 0.00 0.00 54.13 54.93 2j44 s LEU 179 Cb -0.12 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.50 2j44 s LEU 179 CO 0.02 -0.20 -0.23 -0.76 0.23 0.00 0.00 176.35 175.40 2j44 s LEU 180 N 0.39 2.04 -0.48 1.79 1.43 0.93 -3.49 118.68 121.28 2j44 s LEU 180 Ca 0.50 -0.44 -0.07 0.00 -1.03 0.00 0.00 54.13 53.10 2j44 s LEU 180 Cb -0.24 -1.22 0.13 0.00 0.03 0.00 0.00 46.19 44.88 2j44 s LEU 180 CO 0.30 0.26 0.33 -0.62 0.23 0.00 0.00 176.35 176.85 2j44 s ASP 181 N -0.38 5.55 0.00 2.29 -1.08 0.23 -1.31 116.67 121.97 2j44 s ASP 181 Ca 0.04 -2.09 0.17 0.00 -0.52 0.00 0.00 52.55 50.15 2j44 s ASP 181 Cb -0.10 -1.94 0.86 0.00 -1.46 0.00 0.00 42.92 40.27 2j44 s ASP 181 CO 0.01 -0.60 1.48 -0.62 0.52 0.00 0.00 175.17 175.95 2j44 n GLU 182 N 4.61 0.27 0.00 4.34 1.02 -0.31 -2.47 120.64 128.09 2j44 n GLU 182 Ca -0.03 0.12 0.13 0.00 -0.02 0.00 0.00 57.16 57.35 2j44 n GLU 182 Cb 0.41 -1.50 0.78 0.00 -0.02 0.00 0.00 31.44 31.11 2j44 n GLU 182 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2j44 n SER 183 N -1.26 0.00 -4.70 1.62 3.41 -1.26 -4.92 113.62 106.51 2j44 n SER 183 Ca 0.08 -1.09 -0.24 0.00 -0.26 0.00 0.00 58.87 57.36 2j44 n SER 183 Cb 0.12 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.00 2j44 n SER 183 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2j44 s LYS 184 N -2.00 2.21 0.02 4.33 -0.14 -1.03 -5.02 119.74 118.10 2j44 s LYS 184 Ca 0.39 -1.73 -0.03 0.00 -1.36 0.00 0.00 55.97 53.24 2j44 s LYS 184 Cb 0.18 -2.01 -0.28 0.00 -1.68 0.00 0.00 37.83 34.04 2j44 s LYS 184 CO 0.30 0.03 0.91 0.78 -0.76 0.00 0.00 175.35 176.61 2j44 h GLY 185 N 1.59 0.28 -7.47 -3.33 0.00 -1.91 -3.40 103.07 88.84 2j44 h GLY 185 Ca -0.43 -0.72 -0.71 0.00 0.00 0.00 0.00 47.33 45.47 2j44 h GLY 185 CO 0.67 0.63 -0.50 -0.35 0.00 0.00 0.00 176.54 176.99 2j44 s ASP 186 N -6.99 5.50 0.53 0.19 -1.08 -1.26 -5.02 116.67 108.54 2j44 s ASP 186 Ca -0.08 -1.64 0.31 0.00 -0.52 0.00 0.00 52.55 50.62 2j44 s ASP 186 Cb 0.07 -1.93 1.17 0.00 -1.46 0.00 0.00 42.92 40.77 2j44 s ASP 186 CO 0.86 -0.53 1.91 0.58 0.52 0.00 0.00 175.17 178.51 2j44 h VAL 187 N 6.18 0.05 0.00 1.11 2.07 -1.79 -3.40 116.25 120.47 2j44 h VAL 187 Ca -0.20 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.68 2j44 h VAL 187 Cb 1.07 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 2j44 h VAL 187 CO 0.74 0.02 0.00 0.11 0.02 0.00 0.00 177.57 178.46 2j44 h LYS 188 N 0.00 0.00 0.00 1.57 6.56 -1.85 0.66 116.57 123.51 2j44 h LYS 188 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2j44 h LYS 188 Cb 0.61 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.27 2j44 h LYS 188 CO 0.00 0.00 0.00 -0.89 -2.06 0.00 0.00 179.45 176.50 2j44 n ILE 189 N -2.55 0.00 -5.11 1.86 5.41 -1.23 -4.22 119.36 113.52 2j44 n ILE 189 Ca 0.01 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.43 2j44 n ILE 189 Cb 0.20 0.00 -0.16 0.00 -0.71 0.00 0.00 39.64 38.97 2j44 n ILE 189 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2j44 s ARG 190 N 0.00 3.12 0.20 0.38 0.52 -1.26 -4.95 118.95 116.96 2j44 s ARG 190 Ca 0.00 -0.84 -0.07 0.00 -0.52 0.00 0.00 55.73 54.30 2j44 s ARG 190 Cb 0.00 -2.37 0.13 0.00 0.52 0.00 0.00 34.95 33.23 2j44 s ARG 190 CO 0.00 0.18 1.67 0.87 0.02 0.00 0.00 175.30 178.04 2j44 h LYS 191 N 6.73 1.00 -6.31 3.54 1.79 -1.96 -3.44 116.57 117.92 2j44 h LYS 191 Ca -0.21 -0.31 -0.56 0.00 -2.18 0.00 0.00 60.65 57.39 2j44 h LYS 191 Cb 1.23 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 31.75 2j44 h LYS 191 CO 0.49 0.99 0.01 -1.83 -1.08 0.00 0.00 179.45 178.03 2j44 s GLU 192 N -4.99 4.27 0.11 3.15 1.03 -1.26 -5.02 118.70 115.99 2j44 s GLU 192 Ca -0.11 0.82 -0.36 0.00 0.03 0.00 0.00 54.97 55.35 2j44 s GLU 192 Cb 0.14 -3.22 -0.16 0.00 -0.80 0.00 0.00 34.13 30.09 2j44 s GLU 192 CO 0.85 0.61 1.39 0.09 -1.33 0.00 0.00 175.26 176.87 2j44 n ASN 193 N 1.63 1.96 -4.80 0.83 3.02 -1.26 -4.97 115.26 111.67 2j44 n ASN 193 Ca -0.09 1.11 -0.34 0.00 -0.03 0.00 0.00 54.58 55.23 2j44 n ASN 193 Cb 0.50 -1.24 -0.05 0.00 -0.61 0.00 0.00 39.78 38.38 2j44 n ASN 193 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2j44 s TYR 194 N 0.56 3.22 -0.04 3.10 1.51 -0.40 -4.96 117.35 120.33 2j44 s TYR 194 Ca 0.83 1.62 -0.01 0.00 -1.01 0.00 0.00 57.07 58.49 2j44 s TYR 194 Cb -0.89 -2.99 0.03 0.00 -0.11 0.00 0.00 41.96 38.00 2j44 s TYR 194 CO 0.45 -0.45 0.07 0.15 -1.11 0.00 0.00 175.55 174.66 2j44 s LYS 195 N -2.97 -0.02 -0.06 -0.62 1.02 -1.26 -2.13 119.74 113.70 2j44 s LYS 195 Ca 0.62 0.32 0.05 0.00 0.02 0.00 0.00 55.97 56.98 2j44 s LYS 195 Cb -0.15 -0.32 -0.00 0.00 -0.52 0.00 0.00 37.83 36.84 2j44 s LYS 195 CO 0.19 -0.23 -0.20 0.12 -0.92 0.00 0.00 175.35 174.31 2j44 s PHE 196 N 1.55 2.00 0.00 3.18 5.36 0.94 -5.00 117.98 126.01 2j44 s PHE 196 Ca -0.04 -0.63 0.00 0.00 -0.96 0.00 0.00 56.93 55.31 2j44 s PHE 196 Cb -0.12 -1.34 0.00 0.00 -0.34 0.00 0.00 43.02 41.21 2j44 s PHE 196 CO -0.04 -0.22 0.00 2.41 -1.46 0.00 0.00 175.22 175.91 2j44 n THR 197 N 3.18 0.00 -0.19 0.12 -1.04 -1.26 -0.12 114.28 114.97 2j44 n THR 197 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 2j44 n THR 197 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 2j44 n THR 197 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2j44 n ASP 198 N 0.00 0.00 0.00 8.00 9.92 -1.24 -4.21 116.55 129.01 2j44 n ASP 198 Ca 0.00 0.00 0.06 0.00 -0.53 0.00 0.00 54.79 54.32 2j44 n ASP 198 Cb 0.00 0.00 0.28 0.00 -0.64 0.00 0.00 41.12 40.76 2j44 n ASP 198 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2j44 n LEU 199 N -0.03 0.00 -0.01 0.64 4.77 -0.87 -1.86 117.00 119.64 2j44 n LEU 199 Ca 0.00 0.33 -0.16 0.00 -0.03 0.00 0.00 56.01 56.14 2j44 n LEU 199 Cb 0.00 -0.33 -0.14 0.00 -2.33 0.00 0.00 43.42 40.63 2j44 n LEU 199 CO 0.00 -0.20 -0.73 0.29 -1.33 0.00 0.00 177.39 175.42 2j44 n LYS 200 N -1.33 0.71 -0.19 3.23 4.01 -1.25 -4.47 118.16 118.87 2j44 n LYS 200 Ca 0.05 0.27 0.07 0.00 -0.51 0.00 0.00 58.31 58.19 2j44 n LYS 200 Cb 0.10 -1.73 0.21 0.00 -0.51 0.00 0.00 35.03 33.10 2j44 n LYS 200 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2j44 n ASN 201 N -3.31 2.14 0.00 4.39 5.03 -0.78 -4.80 115.26 117.93 2j44 n ASN 201 Ca -0.27 -1.96 0.00 0.00 0.87 0.00 0.00 54.58 53.22 2j44 n ASN 201 Cb 1.05 -0.25 0.00 0.00 -1.02 0.00 0.00 39.78 39.56 2j44 n ASN 201 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2j44 n HIS 202 N 0.66 0.00 0.00 3.10 8.25 -1.20 -5.05 115.22 120.98 2j44 n HIS 202 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 2j44 n HIS 202 Cb 0.35 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.46 2j44 n HIS 202 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2j44 n SER 203 N -0.18 0.00 -4.22 0.41 3.41 -1.26 -4.85 113.62 106.92 2j44 n SER 203 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.35 2j44 n SER 203 Cb 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 2j44 n SER 203 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2j44 s GLN 204 N 0.00 1.47 0.17 4.33 -0.21 -1.26 -0.11 119.66 124.04 2j44 s GLN 204 Ca 0.00 -0.81 0.08 0.00 0.02 0.00 0.00 55.36 54.65 2j44 s GLN 204 Cb 0.00 -1.49 -0.04 0.00 1.00 0.00 0.00 33.01 32.48 2j44 s GLN 204 CO 0.00 0.40 -0.16 0.96 -2.12 0.00 0.00 175.29 174.37 2j44 s ILE 205 N -0.62 1.67 -0.09 1.08 -4.36 -0.32 -4.87 121.20 113.69 2j44 s ILE 205 Ca 0.07 -1.96 0.01 0.00 -0.26 0.00 0.00 60.65 58.51 2j44 s ILE 205 Cb -0.08 -1.83 0.02 0.00 1.25 0.00 0.00 42.46 41.81 2j44 s ILE 205 CO 0.00 -0.43 -0.11 -0.36 0.24 0.00 0.00 174.94 174.28 2j44 s PHE 206 N -2.37 1.61 0.16 1.37 0.08 0.55 -0.83 117.98 118.55 2j44 s PHE 206 Ca 0.16 -0.71 0.07 0.00 0.12 0.00 0.00 56.93 56.57 2j44 s PHE 206 Cb -0.04 -1.22 -0.04 0.00 -0.57 0.00 0.00 43.02 41.15 2j44 s PHE 206 CO 0.06 -0.41 -0.15 -0.51 -0.10 0.00 0.00 175.22 174.10 2j44 s LEU 207 N 1.09 2.47 -0.07 -0.37 1.43 0.56 -1.07 118.68 122.73 2j44 s LEU 207 Ca -0.06 -0.91 -0.17 0.00 -1.03 0.00 0.00 54.13 51.97 2j44 s LEU 207 Cb -0.14 -0.66 0.04 0.00 0.03 0.00 0.00 46.19 45.45 2j44 s LEU 207 CO -0.02 -0.13 0.40 -1.59 0.23 0.00 0.00 176.35 175.24 2j44 s LYS 208 N -3.09 0.65 3.36 1.70 -2.85 -1.26 -1.04 119.74 117.22 2j44 s LYS 208 Ca 0.16 0.14 0.00 0.00 -1.00 0.00 0.00 55.97 55.27 2j44 s LYS 208 Cb -0.03 0.30 0.00 0.00 -2.06 0.00 0.00 37.83 36.04 2j44 s LYS 208 CO 0.05 -0.16 0.00 -0.25 0.10 0.00 0.00 175.35 175.09 2j44 n ASP 209 N 1.80 0.00 -0.36 0.03 8.00 -0.07 -1.39 116.55 124.56 2j44 n ASP 209 Ca -0.18 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.40 2j44 n ASP 209 Cb 0.56 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.84 2j44 n ASP 209 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2j44 n ASP 210 N 4.10 2.27 -4.69 -2.24 5.75 -1.26 -4.99 116.55 115.49 2j44 n ASP 210 Ca 0.00 -3.38 -0.42 0.00 -0.01 0.00 0.00 54.79 50.98 2j44 n ASP 210 Cb 0.00 -0.48 -0.03 0.00 -1.03 0.00 0.00 41.12 39.58 2j44 n ASP 210 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2j44 s ASP 211 N -2.90 6.41 0.54 -1.12 -1.08 -0.49 -4.89 116.67 113.14 2j44 s ASP 211 Ca 0.35 2.77 0.26 0.00 -0.52 0.00 0.00 52.55 55.41 2j44 s ASP 211 Cb 0.32 -2.57 1.52 0.00 -1.46 0.00 0.00 42.92 40.73 2j44 s ASP 211 CO 0.00 -1.01 2.13 1.05 0.52 0.00 0.00 175.17 177.86 2j44 h GLU 212 N 8.66 0.00 -6.65 4.34 9.09 -1.96 -3.44 114.58 124.62 2j44 h GLU 212 Ca -0.46 0.00 -0.51 0.00 0.05 0.00 0.00 59.36 58.44 2j44 h GLU 212 Cb 1.22 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.29 2j44 h GLU 212 CO 0.95 0.08 0.21 -1.12 0.05 0.00 0.00 179.01 179.18 2j44 s SER 213 N -6.32 7.27 -0.43 3.06 0.01 -1.26 -5.03 113.70 111.00 2j44 s SER 213 Ca -0.04 1.63 -0.15 0.00 1.31 0.00 0.00 55.95 58.71 2j44 s SER 213 Cb 0.14 -2.50 0.04 0.00 0.21 0.00 0.00 66.02 63.92 2j44 s SER 213 CO 0.59 0.06 0.33 -0.63 0.41 0.00 0.00 173.24 174.01 2j44 s ILE 214 N -1.42 5.18 0.28 1.44 1.01 -1.26 -4.74 121.20 121.69 2j44 s ILE 214 Ca 0.43 -0.85 -0.10 0.00 0.00 0.00 0.00 60.65 60.12 2j44 s ILE 214 Cb -0.20 -3.98 -0.07 0.00 0.01 0.00 0.00 42.46 38.22 2j44 s ILE 214 CO 0.24 -0.42 0.62 -0.31 0.00 0.00 0.00 174.94 175.07 2j44 s TYR 215 N 1.65 3.42 -1.35 3.97 2.02 -0.23 -4.92 117.35 121.91 2j44 s TYR 215 Ca 0.04 0.95 0.11 0.00 -0.37 0.00 0.00 57.07 57.81 2j44 s TYR 215 Cb -0.21 -2.33 0.07 0.00 -0.40 0.00 0.00 41.96 39.09 2j44 s TYR 215 CO 0.08 0.17 0.83 2.41 -1.57 0.00 0.00 175.55 177.47 2j44 n THR 216 N -0.42 0.00 -4.16 -0.71 -1.04 -1.26 -0.33 114.28 106.36 2j44 n THR 216 Ca 0.01 -0.48 -0.14 0.00 -2.04 0.00 0.00 64.05 61.40 2j44 n THR 216 Cb 0.53 1.22 -0.11 0.00 -1.82 0.00 0.00 70.33 70.15 2j44 n THR 216 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2j44 s ASN 217 N -1.05 1.36 0.00 8.00 4.22 -1.26 -4.93 114.94 121.27 2j44 s ASN 217 Ca 0.13 -0.78 0.15 0.00 -2.14 0.00 0.00 52.86 50.21 2j44 s ASN 217 Cb 0.09 0.02 0.87 0.00 1.28 0.00 0.00 41.25 43.51 2j44 s ASN 217 CO 0.17 -0.26 1.29 -0.81 -2.04 0.00 0.00 177.10 175.45 2j44 n PRO 218 N 0.68 0.53 -0.21 3.55 -0.04 -1.26 -3.00 135.00 135.24 2j44 n PRO 218 Ca -0.17 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.41 2j44 n PRO 218 Cb 0.57 -1.43 0.25 0.00 -0.04 0.00 0.00 33.50 32.85 2j44 n PRO 218 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2j44 n TYR 219 N -0.93 0.56 -3.82 0.54 4.02 -1.26 -4.98 117.16 111.30 2j44 n TYR 219 Ca 0.11 -0.28 -0.25 0.00 -0.01 0.00 0.00 57.90 57.47 2j44 n TYR 219 Cb 0.05 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.39 2j44 n TYR 219 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2j44 n TYR 220 N 1.43 -2.01 -4.78 -0.72 4.01 -1.16 -4.99 117.16 108.94 2j44 n TYR 220 Ca 0.20 0.85 -0.30 0.00 -0.16 0.00 0.00 57.90 58.49 2j44 n TYR 220 Cb 0.59 -4.14 -0.14 0.00 -0.31 0.00 0.00 39.34 35.34 2j44 n TYR 220 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 2j44 s VAL 221 N -3.57 2.45 0.33 -0.72 -7.23 -1.26 -5.09 120.40 105.30 2j44 s VAL 221 Ca 0.24 -1.30 -0.27 0.00 -1.81 0.00 0.00 61.98 58.84 2j44 s VAL 221 Cb -0.12 -1.99 -0.09 0.00 0.56 0.00 0.00 36.38 34.73 2j44 s VAL 221 CO 0.83 0.35 1.10 -1.00 -0.31 0.00 0.00 175.10 176.07 2j44 s HIS 222 N -0.87 3.41 0.00 2.82 3.76 -1.26 -4.69 115.29 118.46 2j44 s HIS 222 Ca 0.13 1.66 0.00 0.00 -0.15 0.00 0.00 55.06 56.70 2j44 s HIS 222 Cb -0.10 -3.27 0.00 0.00 1.11 0.00 0.00 32.58 30.32 2j44 s HIS 222 CO 0.04 -0.72 0.00 -0.25 -0.85 0.00 0.00 174.74 172.96