#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fjm s VAL 22 N 0.00 5.19 -0.26 2.53 1.01 0.03 -5.01 120.40 123.90 3fjm s VAL 22 Ca 0.00 0.13 -0.07 0.00 0.00 0.00 0.00 61.98 62.03 3fjm s VAL 22 Cb 0.00 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 3fjm s VAL 22 CO 0.00 -0.01 0.08 0.20 0.00 0.00 0.00 175.10 175.37 3fjm s ASN 23 N 1.72 5.15 -0.07 3.32 0.01 -1.26 -0.71 114.94 123.10 3fjm s ASN 23 Ca 0.11 -0.29 -0.03 0.00 -0.71 0.00 0.00 52.86 51.94 3fjm s ASN 23 Cb -0.16 -1.92 -0.04 0.00 0.41 0.00 0.00 41.25 39.54 3fjm s ASN 23 CO 0.11 -0.07 0.08 -0.76 -1.51 0.00 0.00 177.10 174.95 3fjm s LEU 24 N 1.60 3.96 0.02 0.60 1.02 0.11 -0.79 118.68 125.21 3fjm s LEU 24 Ca 0.06 0.26 0.05 0.00 0.02 0.00 0.00 54.13 54.51 3fjm s LEU 24 Cb -0.15 -2.07 -0.02 0.00 0.02 0.00 0.00 46.19 43.97 3fjm s LEU 24 CO 0.04 0.35 -0.14 -0.31 0.02 0.00 0.00 176.35 176.31 3fjm s TYR 25 N -1.04 1.23 -0.22 0.29 2.02 -0.24 -0.57 117.35 118.81 3fjm s TYR 25 Ca 0.17 -0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.57 3fjm s TYR 25 Cb -0.12 -0.75 0.00 0.00 -0.40 0.00 0.00 41.96 40.69 3fjm s TYR 25 CO 0.07 0.02 0.00 0.41 -1.57 0.00 0.00 175.55 174.48 3fjm n GLY 26 N 2.21 -1.17 3.86 0.71 0.00 -0.87 -1.03 105.19 108.89 3fjm n GLY 26 Ca -0.17 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.55 3fjm n GLY 26 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3fjm s PRO 27 N -1.82 2.74 0.47 1.61 0.04 -1.26 -2.30 135.00 134.49 3fjm s PRO 27 Ca 0.00 0.58 -0.24 0.00 0.04 0.00 0.00 61.00 61.38 3fjm s PRO 27 Cb 0.00 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.47 3fjm s PRO 27 CO 0.00 -1.14 1.29 0.20 0.04 0.00 0.00 177.00 177.39 3fjm s GLY 28 N -4.17 2.87 0.00 0.56 0.00 -1.26 -4.30 107.32 101.02 3fjm s GLY 28 Ca 0.58 1.19 0.00 0.00 0.00 0.00 0.00 44.72 46.50 3fjm s GLY 28 CO 0.53 1.72 0.00 0.61 0.00 0.00 0.00 173.10 175.96 3fjm n GLY 29 N 0.61 1.96 0.07 0.20 0.00 -1.26 -4.82 105.19 101.96 3fjm n GLY 29 Ca 0.07 -0.52 0.08 0.00 0.00 0.00 0.00 46.02 45.65 3fjm n GLY 29 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fjm n PRO 30 N 0.00 0.09 0.15 1.61 -0.02 -1.26 -3.36 135.00 132.21 3fjm n PRO 30 Ca 0.00 0.41 0.04 0.00 -2.02 0.00 0.00 63.50 61.93 3fjm n PRO 30 Cb 0.00 -1.70 0.45 0.00 -0.02 0.00 0.00 33.50 32.23 3fjm n PRO 30 CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 3fjm h HIS 31 N 0.00 0.19 -0.26 6.00 2.07 -1.88 -1.80 115.15 119.47 3fjm h HIS 31 Ca 0.00 -0.01 -0.05 0.00 -2.85 0.00 0.00 60.37 57.46 3fjm h HIS 31 Cb 0.21 -0.06 -0.01 0.00 2.57 0.00 0.00 27.41 30.12 3fjm h HIS 31 CO 0.00 0.27 -0.02 1.79 -3.07 0.00 0.00 177.93 176.90 3fjm h THR 32 N 0.19 1.27 -0.32 6.12 1.35 -1.95 0.14 112.91 119.70 3fjm h THR 32 Ca 0.04 -0.98 -0.02 0.00 -0.55 0.00 0.00 66.41 64.90 3fjm h THR 32 Cb 0.25 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 3fjm h THR 32 CO 0.01 0.31 0.12 0.00 -0.25 0.00 0.00 175.52 175.71 3fjm h ALA 33 N 0.80 0.42 -0.62 6.62 0.00 -1.74 -2.85 119.26 121.88 3fjm h ALA 33 Ca 0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3fjm h ALA 33 Cb 0.46 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3fjm h ALA 33 CO 0.02 0.03 0.30 -0.07 0.00 0.00 0.00 179.25 179.52 3fjm h LEU 34 N 0.37 0.79 -0.59 0.00 3.38 -1.14 -0.60 115.31 117.52 3fjm h LEU 34 Ca 0.11 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3fjm h LEU 34 Cb 0.20 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3fjm h LEU 34 CO -0.01 0.67 0.01 0.11 0.09 0.00 0.00 178.44 179.31 3fjm h LYS 35 N 0.88 1.03 -0.42 1.13 1.57 -0.65 0.26 116.57 120.38 3fjm h LYS 35 Ca 0.22 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 3fjm h LYS 35 Cb 0.09 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3fjm h LYS 35 CO -0.03 1.02 0.18 -0.44 -0.57 0.00 0.00 179.45 179.61 3fjm h ASP 36 N 0.93 0.57 -0.30 0.86 3.32 -1.21 -1.31 116.42 119.29 3fjm h ASP 36 Ca 0.17 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 3fjm h ASP 36 Cb 0.54 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 3fjm h ASP 36 CO 0.03 0.57 0.12 0.40 -1.72 0.00 0.00 179.24 178.63 3fjm h ILE 37 N 0.54 1.18 -0.83 0.35 2.04 -0.88 -2.06 117.51 117.86 3fjm h ILE 37 Ca 0.14 -0.55 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 3fjm h ILE 37 Cb 0.16 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 3fjm h ILE 37 CO -0.01 0.19 0.40 0.00 0.00 0.00 0.00 178.15 178.72 3fjm h ALA 38 N 0.96 1.14 -0.08 1.87 0.00 -0.38 0.10 119.26 122.87 3fjm h ALA 38 Ca 0.10 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3fjm h ALA 38 Cb 0.19 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3fjm h ALA 38 CO -0.01 0.65 0.03 -0.97 0.00 0.00 0.00 179.25 178.96 3fjm h ASN 39 N 1.18 0.11 -0.66 0.00 -1.24 -1.09 0.09 115.58 113.97 3fjm h ASN 39 Ca 0.28 -0.16 0.00 0.00 0.71 0.00 0.00 56.30 57.14 3fjm h ASN 39 Cb 0.12 -0.03 -0.03 0.00 0.73 0.00 0.00 38.32 39.11 3fjm h ASN 39 CO -0.04 0.24 0.43 0.50 -1.29 0.00 0.00 177.43 177.27 3fjm h LYS 40 N -0.02 0.88 -0.31 6.67 3.64 -1.03 -0.93 116.57 125.47 3fjm h LYS 40 Ca 0.03 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3fjm h LYS 40 Cb 0.16 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 3fjm h LYS 40 CO -0.00 0.60 0.15 -0.92 -2.27 0.00 0.00 179.45 177.00 3fjm h TYR 41 N 0.90 0.45 -0.80 1.91 3.20 -0.60 -2.02 116.97 120.01 3fjm h TYR 41 Ca 0.24 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.06 3fjm h TYR 41 Cb -0.08 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.01 3fjm h TYR 41 CO -0.02 0.40 0.41 0.77 -1.64 0.00 0.00 178.16 178.09 3fjm h SER 42 N 0.37 1.03 -0.51 -2.11 0.02 -0.72 0.28 113.55 111.90 3fjm h SER 42 Ca 0.11 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 3fjm h SER 42 Cb 0.12 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 3fjm h SER 42 CO -0.01 0.85 0.27 -0.33 -1.14 0.00 0.00 176.83 176.47 3fjm h GLU 43 N 1.13 0.75 0.12 3.45 4.39 -0.91 0.05 114.58 123.57 3fjm h GLU 43 Ca 0.28 -0.09 -0.18 0.00 0.34 0.00 0.00 59.36 59.71 3fjm h GLU 43 Cb 0.07 -0.15 0.02 0.00 -0.10 0.00 0.00 28.75 28.59 3fjm h GLU 43 CO -0.04 0.58 -0.83 -0.22 -1.16 0.00 0.00 179.01 177.34 3fjm h LYS 44 N 0.76 0.26 0.00 2.33 3.11 -0.73 -3.40 116.57 118.90 3fjm h LYS 44 Ca 0.19 -0.45 -0.17 0.00 -2.81 0.00 0.00 60.65 57.42 3fjm h LYS 44 Cb 0.06 0.17 -0.03 0.00 -1.00 0.00 0.00 32.23 31.43 3fjm h LYS 44 CO -0.03 1.21 -2.14 0.25 -2.81 0.00 0.00 179.45 175.93 3fjm n THR 45 N -4.15 0.62 -0.68 1.00 -2.24 0.03 -4.98 114.28 103.88 3fjm n THR 45 Ca -0.15 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 3fjm n THR 45 Cb 0.80 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 3fjm n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fjm n GLY 46 N 1.53 0.83 3.70 3.38 0.00 0.00 -5.03 105.19 109.59 3fjm n GLY 46 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 3fjm n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fjm s VAL 47 N -3.28 4.96 -0.17 1.61 1.01 -1.26 -5.02 120.40 118.26 3fjm s VAL 47 Ca 0.00 1.58 -0.29 0.00 0.00 0.00 0.00 61.98 63.27 3fjm s VAL 47 Cb 0.00 -4.11 -0.00 0.00 0.00 0.00 0.00 36.38 32.27 3fjm s VAL 47 CO 0.00 0.15 1.04 -0.75 0.00 0.00 0.00 175.10 175.54 3fjm s LYS 48 N 1.35 4.33 -0.18 2.72 2.20 -1.26 -4.06 119.74 124.84 3fjm s LYS 48 Ca 0.39 1.39 0.01 0.00 -0.36 0.00 0.00 55.97 57.40 3fjm s LYS 48 Cb -0.18 -3.60 0.03 0.00 -1.51 0.00 0.00 37.83 32.57 3fjm s LYS 48 CO 0.17 -0.49 -0.16 0.08 -0.36 0.00 0.00 175.35 174.59 3fjm s VAL 49 N 2.66 1.88 -0.20 4.02 1.01 -1.26 -0.79 120.40 127.72 3fjm s VAL 49 Ca 0.46 -0.95 -0.08 0.00 0.00 0.00 0.00 61.98 61.41 3fjm s VAL 49 Cb -0.17 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 3fjm s VAL 49 CO 0.12 0.39 0.08 0.20 0.00 0.00 0.00 175.10 175.90 3fjm s ASN 50 N 1.34 5.70 -0.45 3.32 0.01 0.11 -4.83 114.94 120.13 3fjm s ASN 50 Ca 0.02 0.07 -0.10 0.00 -0.71 0.00 0.00 52.86 52.14 3fjm s ASN 50 Cb -0.14 -1.99 0.10 0.00 0.41 0.00 0.00 41.25 39.62 3fjm s ASN 50 CO -0.11 0.13 0.32 -0.69 -1.51 0.00 0.00 177.10 175.25 3fjm s VAL 51 N 0.62 4.37 -0.09 1.60 1.01 -1.26 -0.71 120.40 125.93 3fjm s VAL 51 Ca 0.04 -1.53 -0.14 0.00 0.00 0.00 0.00 61.98 60.36 3fjm s VAL 51 Cb -0.13 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 3fjm s VAL 51 CO 0.01 -0.64 0.34 0.20 0.00 0.00 0.00 175.10 175.01 3fjm s ASN 52 N 2.47 6.60 0.14 3.32 0.01 0.27 -5.00 114.94 122.74 3fjm s ASN 52 Ca 0.04 0.71 -0.11 0.00 -0.71 0.00 0.00 52.86 52.79 3fjm s ASN 52 Cb -0.25 -2.20 0.00 0.00 0.41 0.00 0.00 41.25 39.21 3fjm s ASN 52 CO 0.01 0.22 0.31 0.72 -1.51 0.00 0.00 177.10 176.85 3fjm s PHE 53 N -0.30 0.17 -3.07 2.20 -0.71 -1.26 -2.05 117.98 112.96 3fjm s PHE 53 Ca 0.20 -0.54 0.00 0.00 -1.04 0.00 0.00 56.93 55.55 3fjm s PHE 53 Cb -0.14 0.05 0.00 0.00 -1.21 0.00 0.00 43.02 41.72 3fjm s PHE 53 CO 0.08 -0.70 0.00 0.41 -1.34 0.00 0.00 175.22 173.67 3fjm n GLY 54 N -0.19 0.78 3.65 1.99 0.00 -0.97 -4.88 105.19 105.57 3fjm n GLY 54 Ca -0.11 -2.07 -0.45 0.00 0.00 0.00 0.00 46.02 43.38 3fjm n GLY 54 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fjm n PRO 55 N -0.49 1.85 -0.35 1.61 -0.02 -1.26 -4.16 135.00 132.18 3fjm n PRO 55 Ca 0.00 0.66 0.13 0.00 -2.02 0.00 0.00 63.50 62.27 3fjm n PRO 55 Cb 0.00 -2.26 0.32 0.00 -0.02 0.00 0.00 33.50 31.54 3fjm n PRO 55 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3fjm h GLN 56 N 3.74 0.71 0.00 -0.52 4.15 -1.91 -0.85 115.11 120.42 3fjm h GLN 56 Ca -0.44 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 58.93 3fjm h GLN 56 Cb 1.29 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 28.82 3fjm h GLN 56 CO 0.72 0.47 -0.01 0.00 -1.93 0.00 0.00 178.83 178.08 3fjm h ALA 57 N 1.65 1.51 0.00 3.38 0.00 -2.00 -0.02 119.26 123.78 3fjm h ALA 57 Ca 0.58 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.45 3fjm h ALA 57 Cb 0.91 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3fjm h ALA 57 CO -0.39 0.01 -0.14 1.79 0.00 0.00 0.00 179.25 180.51 3fjm h THR 58 N 0.00 0.28 0.00 0.00 1.35 -1.50 -3.35 112.91 109.69 3fjm h THR 58 Ca -0.00 -1.16 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 3fjm h THR 58 Cb 0.02 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 3fjm h THR 58 CO 0.00 0.14 0.00 -2.67 -0.25 0.00 0.00 175.52 172.74 3fjm n TRP 59 N -3.18 0.00 0.01 4.73 4.27 -0.85 -4.88 117.44 117.55 3fjm n TRP 59 Ca 0.02 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.53 3fjm n TRP 59 Cb 0.50 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.42 3fjm n TRP 59 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 3fjm h PHE 60 N 0.00 -0.49 -0.53 -2.67 3.57 -1.16 0.80 116.94 116.46 3fjm h PHE 60 Ca 0.00 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 3fjm h PHE 60 Cb 0.18 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 3fjm h PHE 60 CO 0.00 -0.27 0.08 0.93 -2.23 0.00 0.00 178.31 176.83 3fjm h GLU 61 N -0.25 0.83 -0.33 1.11 4.39 -1.86 -1.86 114.58 116.61 3fjm h GLU 61 Ca 0.09 -0.19 -0.08 0.00 0.34 0.00 0.00 59.36 59.52 3fjm h GLU 61 Cb 0.38 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 3fjm h GLU 61 CO -0.25 0.78 -0.11 0.87 -1.16 0.00 0.00 179.01 179.14 3fjm h LYS 62 N 0.79 0.66 -0.08 2.33 6.56 -1.82 -3.09 116.57 121.92 3fjm h LYS 62 Ca 0.17 -0.27 -0.02 0.00 -1.06 0.00 0.00 60.65 59.46 3fjm h LYS 62 Cb 0.36 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.98 3fjm h LYS 62 CO 0.01 0.85 -0.05 0.00 -2.06 0.00 0.00 179.45 178.19 3fjm h ALA 63 N 0.79 1.76 -0.06 3.86 0.00 -0.45 -0.78 119.26 124.37 3fjm h ALA 63 Ca 0.08 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3fjm h ALA 63 Cb 0.63 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3fjm h ALA 63 CO 0.04 0.19 0.09 0.87 0.00 0.00 0.00 179.25 180.43 3fjm h LYS 64 N 0.12 0.00 0.12 0.00 1.57 -1.26 -1.06 116.57 116.06 3fjm h LYS 64 Ca 0.03 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.45 3fjm h LYS 64 Cb 0.18 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3fjm h LYS 64 CO 0.01 0.00 -1.97 1.63 -0.57 0.00 0.00 179.45 178.55 3fjm n LYS 65 N -3.65 0.75 -0.03 3.15 5.02 -0.31 -4.77 118.16 118.31 3fjm n LYS 65 Ca -0.01 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 3fjm n LYS 65 Cb 0.18 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 3fjm n LYS 65 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3fjm n ASP 66 N -3.53 0.04 -4.68 4.39 5.68 -1.11 -5.07 116.55 112.27 3fjm n ASP 66 Ca -0.32 -1.08 -0.42 0.00 -0.50 0.00 0.00 54.79 52.47 3fjm n ASP 66 Cb 1.03 -0.01 -0.03 0.00 -1.14 0.00 0.00 41.12 40.97 3fjm n ASP 66 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3fjm s ALA 67 N -0.02 3.66 -0.16 2.12 0.00 -0.42 -4.52 121.76 122.41 3fjm s ALA 67 Ca 0.00 1.20 0.07 0.00 0.00 0.00 0.00 51.96 53.23 3fjm s ALA 67 Cb 0.00 -3.75 -0.23 0.00 0.00 0.00 0.00 23.12 19.15 3fjm s ALA 67 CO 0.00 -1.29 0.18 -0.25 0.00 0.00 0.00 175.76 174.40 3fjm n ASP 68 N 6.40 1.20 -3.80 0.00 8.00 0.03 -4.75 116.55 123.63 3fjm n ASP 68 Ca 0.17 0.10 -0.13 0.00 0.71 0.00 0.00 54.79 55.64 3fjm n ASP 68 Cb 0.41 -0.03 -0.14 0.00 -0.02 0.00 0.00 41.12 41.34 3fjm n ASP 68 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3fjm s ILE 69 N -2.54 -0.03 -0.20 0.53 1.01 -0.90 -1.27 121.20 117.81 3fjm s ILE 69 Ca -0.18 0.10 -0.07 0.00 0.00 0.00 0.00 60.65 60.49 3fjm s ILE 69 Cb 0.07 -0.15 -0.04 0.00 0.01 0.00 0.00 42.46 42.36 3fjm s ILE 69 CO 0.75 0.04 0.05 -0.76 0.00 0.00 0.00 174.94 175.02 3fjm s LEU 70 N 0.58 3.63 0.17 2.97 1.43 -0.54 -1.08 118.68 125.83 3fjm s LEU 70 Ca -0.04 -0.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.09 3fjm s LEU 70 Cb -0.06 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 3fjm s LEU 70 CO -0.02 0.12 0.08 0.72 0.23 0.00 0.00 176.35 177.48 3fjm s PHE 71 N 0.69 3.03 0.13 0.29 -0.71 -0.20 -1.05 117.98 120.16 3fjm s PHE 71 Ca 0.02 -0.06 0.04 0.00 -1.04 0.00 0.00 56.93 55.90 3fjm s PHE 71 Cb -0.13 -1.46 -0.04 0.00 -1.21 0.00 0.00 43.02 40.17 3fjm s PHE 71 CO 0.02 0.52 -0.10 0.20 -1.34 0.00 0.00 175.22 174.51 3fjm s GLY 72 N -3.02 1.00 0.00 1.99 0.00 -0.14 -4.17 107.32 102.99 3fjm s GLY 72 Ca 0.30 -1.40 0.13 0.00 0.00 0.00 0.00 44.72 43.75 3fjm s GLY 72 CO 0.21 -1.49 0.92 0.00 0.00 0.00 0.00 173.10 172.75 3fjm n ALA 73 N 0.05 2.50 -3.79 3.20 0.00 -1.26 -2.63 120.51 118.59 3fjm n ALA 73 Ca -0.12 -0.60 -0.04 0.00 0.00 0.00 0.00 53.44 52.68 3fjm n ALA 73 Cb 0.60 -0.45 -0.01 0.00 0.00 0.00 0.00 19.45 19.58 3fjm n ALA 73 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3fjm s SER 74 N -1.14 -0.15 -0.09 0.00 1.04 -1.00 -4.39 113.70 107.96 3fjm s SER 74 Ca 0.15 -0.50 -0.27 0.00 0.48 0.00 0.00 55.95 55.82 3fjm s SER 74 Cb 0.11 0.54 -0.25 0.00 0.10 0.00 0.00 66.02 66.52 3fjm s SER 74 CO 0.17 -1.00 0.93 -0.78 0.98 0.00 0.00 173.24 173.54 3fjm h ASP 75 N 2.00 0.10 -0.98 7.02 1.82 -1.95 -2.53 116.42 121.90 3fjm h ASP 75 Ca -0.24 -0.85 0.03 0.00 -0.39 0.00 0.00 57.03 55.58 3fjm h ASP 75 Cb 1.23 -0.03 -0.06 0.00 0.68 0.00 0.00 39.33 41.16 3fjm h ASP 75 CO 0.27 0.94 0.64 0.06 -1.61 0.00 0.00 179.24 179.54 3fjm h GLN 76 N -0.73 1.21 -0.18 0.28 -0.00 -1.97 0.11 115.11 113.83 3fjm h GLN 76 Ca -0.02 -0.07 -0.19 0.00 -0.00 0.00 0.00 58.65 58.36 3fjm h GLN 76 Cb 0.96 -0.27 0.00 0.00 -0.00 0.00 0.00 27.48 28.17 3fjm h GLN 76 CO 0.02 0.80 -0.67 0.66 -0.00 0.00 0.00 178.83 179.65 3fjm h SER 77 N 1.24 0.80 -0.56 0.06 4.64 -1.82 -2.24 113.55 115.67 3fjm h SER 77 Ca 0.39 -0.48 -0.06 0.00 -0.47 0.00 0.00 61.79 61.16 3fjm h SER 77 Cb -0.01 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.83 3fjm h SER 77 CO -0.12 1.25 0.11 0.00 -0.87 0.00 0.00 176.83 177.20 3fjm h ALA 78 N 0.75 0.74 -0.70 5.18 0.00 -0.97 -0.42 119.26 123.85 3fjm h ALA 78 Ca -0.02 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.66 3fjm h ALA 78 Cb 1.26 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3fjm h ALA 78 CO 0.13 0.48 0.46 1.25 0.00 0.00 0.00 179.25 181.57 3fjm h LEU 79 N 0.82 0.80 0.19 0.00 5.85 -0.77 -0.56 115.31 121.64 3fjm h LEU 79 Ca 0.17 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3fjm h LEU 79 Cb 0.39 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3fjm h LEU 79 CO 0.01 0.58 -0.09 0.00 -0.34 0.00 0.00 178.44 178.59 3fjm h ALA 80 N 1.25 -0.26 -0.28 1.25 0.00 -1.07 -1.91 119.26 118.26 3fjm h ALA 80 Ca 0.26 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3fjm h ALA 80 Cb -0.11 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3fjm h ALA 80 CO -0.06 -0.60 0.11 0.82 0.00 0.00 0.00 179.25 179.53 3fjm h ILE 81 N -0.36 1.18 -0.47 0.00 2.04 -0.92 -2.63 117.51 116.35 3fjm h ILE 81 Ca -0.03 -0.55 -0.03 0.00 1.00 0.00 0.00 64.86 65.26 3fjm h ILE 81 Cb 0.28 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 3fjm h ILE 81 CO 0.04 0.19 0.19 0.00 0.00 0.00 0.00 178.15 178.57 3fjm h ALA 82 N 0.95 1.44 -0.10 1.87 0.00 -1.13 -1.81 119.26 120.47 3fjm h ALA 82 Ca 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3fjm h ALA 82 Cb 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3fjm h ALA 82 CO -0.01 0.43 -0.05 0.77 0.00 0.00 0.00 179.25 180.39 3fjm h SER 83 N 0.67 0.14 0.54 0.00 0.02 -0.99 -2.33 113.55 111.59 3fjm h SER 83 Ca 0.16 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3fjm h SER 83 Cb 0.14 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3fjm h SER 83 CO -0.02 0.21 0.00 0.44 -1.14 0.00 0.00 176.83 176.33 3fjm h ASP 84 N 0.15 0.00 -0.15 3.07 3.32 -0.99 -2.74 116.42 119.07 3fjm h ASP 84 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3fjm h ASP 84 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3fjm h ASP 84 CO 0.01 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.02 3fjm n PHE 85 N -2.72 0.18 -1.71 4.55 3.72 -0.88 -5.03 117.46 115.57 3fjm n PHE 85 Ca -0.00 -0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 3fjm n PHE 85 Cb 0.19 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 3fjm n PHE 85 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fjm n GLY 86 N 1.23 2.59 0.03 1.37 0.00 -1.04 -2.55 105.19 106.82 3fjm n GLY 86 Ca 0.17 -0.22 0.06 0.00 0.00 0.00 0.00 46.02 46.04 3fjm n GLY 86 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3fjm n LYS 87 N 14.00 0.04 0.17 1.61 -0.00 -1.26 -2.40 118.16 130.31 3fjm n LYS 87 Ca 0.00 0.35 0.04 0.00 -0.00 0.00 0.00 58.31 58.70 3fjm n LYS 87 Cb 0.00 -1.58 0.44 0.00 -0.00 0.00 0.00 35.03 33.90 3fjm n LYS 87 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 3fjm h ASP 88 N 0.00 0.12 -4.24 -5.58 3.32 -1.89 -3.43 116.42 104.72 3fjm h ASP 88 Ca 0.00 -0.02 -0.44 0.00 0.02 0.00 0.00 57.03 56.58 3fjm h ASP 88 Cb 0.20 -0.03 -0.27 0.00 0.22 0.00 0.00 39.33 39.45 3fjm h ASP 88 CO 0.00 0.28 -0.80 -0.36 -1.72 0.00 0.00 179.24 176.65 3fjm s PHE 89 N -4.70 1.14 -0.48 4.55 0.08 -1.01 -1.75 117.98 115.82 3fjm s PHE 89 Ca -0.05 -0.28 -0.13 0.00 0.12 0.00 0.00 56.93 56.59 3fjm s PHE 89 Cb 0.16 -0.71 0.10 0.00 -0.57 0.00 0.00 43.02 41.99 3fjm s PHE 89 CO 0.72 0.00 0.39 1.21 -0.10 0.00 0.00 175.22 177.44 3fjm s ASN 90 N -0.69 5.99 0.65 1.36 3.04 -1.26 -4.75 114.94 119.28 3fjm s ASN 90 Ca 0.03 -1.57 0.36 0.00 0.04 0.00 0.00 52.86 51.72 3fjm s ASN 90 Cb -0.06 -2.12 1.96 0.00 -1.54 0.00 0.00 41.25 39.48 3fjm s ASN 90 CO 0.00 -0.69 2.10 -0.37 -3.04 0.00 0.00 177.10 175.11 3fjm h VAL 91 N 5.91 0.00 0.00 -5.21 -1.51 -1.92 0.92 116.25 114.45 3fjm h VAL 91 Ca -0.27 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 3fjm h VAL 91 Cb 1.10 0.80 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 3fjm h VAL 91 CO 0.89 0.00 0.00 -1.54 -1.23 0.00 0.00 177.57 175.69 3fjm n SER 92 N -2.94 0.36 -1.74 4.19 3.41 -1.26 -2.77 113.62 112.88 3fjm n SER 92 Ca -0.02 0.61 0.08 0.00 -0.26 0.00 0.00 58.87 59.28 3fjm n SER 92 Cb 0.24 -0.68 0.38 0.00 -0.26 0.00 0.00 64.21 63.89 3fjm n SER 92 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3fjm n LYS 93 N -1.93 4.34 -2.09 4.33 5.02 0.32 -4.95 118.16 123.20 3fjm n LYS 93 Ca 0.01 -3.04 -0.42 0.00 -2.02 0.00 0.00 58.31 52.84 3fjm n LYS 93 Cb 0.14 -2.09 -0.03 0.00 -0.02 0.00 0.00 35.03 33.03 3fjm n LYS 93 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3fjm s ILE 94 N -2.35 3.02 -0.35 -0.18 1.01 -1.11 -4.63 121.20 116.60 3fjm s ILE 94 Ca 0.53 0.76 0.00 0.00 0.00 0.00 0.00 60.65 61.94 3fjm s ILE 94 Cb 0.38 -3.48 0.09 0.00 0.01 0.00 0.00 42.46 39.45 3fjm s ILE 94 CO 0.20 0.07 0.08 -0.54 0.00 0.00 0.00 174.94 174.75 3fjm s LYS 95 N 0.77 1.97 0.16 2.79 -0.14 -0.02 -4.96 119.74 120.30 3fjm s LYS 95 Ca 0.64 -1.66 -0.30 0.00 -1.36 0.00 0.00 55.97 53.29 3fjm s LYS 95 Cb -0.39 -3.30 -0.08 0.00 -1.68 0.00 0.00 37.83 32.37 3fjm s LYS 95 CO 0.33 -0.87 1.31 -2.14 -0.76 0.00 0.00 175.35 173.22 3fjm s PRO 96 N 1.09 4.38 0.00 -1.68 0.02 -1.26 -1.98 135.00 135.57 3fjm s PRO 96 Ca 0.04 2.01 0.00 0.00 0.02 0.00 0.00 61.00 63.07 3fjm s PRO 96 Cb -0.21 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.08 3fjm s PRO 96 CO -0.05 -0.29 0.00 1.28 -0.33 0.00 0.00 177.00 177.61 3fjm n LEU 97 N 3.15 1.17 -4.10 -5.54 4.77 -0.14 -4.98 117.00 111.33 3fjm n LEU 97 Ca 0.08 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.96 3fjm n LEU 97 Cb 0.43 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.43 3fjm n LEU 97 CO 0.58 0.20 -0.19 -0.31 -1.33 0.00 0.00 177.39 176.33 3fjm s TYR 98 N -1.77 0.76 0.12 -1.77 2.02 -1.21 -4.86 117.35 110.66 3fjm s TYR 98 Ca 0.00 -1.11 -0.00 0.00 -0.37 0.00 0.00 57.07 55.59 3fjm s TYR 98 Cb 0.00 -0.35 -0.04 0.00 -0.40 0.00 0.00 41.96 41.17 3fjm s TYR 98 CO 0.00 -0.62 0.02 -0.59 -1.57 0.00 0.00 175.55 172.79 3fjm s PHE 99 N -4.05 0.89 0.12 2.71 -0.71 -0.74 -0.31 117.98 115.89 3fjm s PHE 99 Ca 0.25 -1.13 -0.12 0.00 -1.04 0.00 0.00 56.93 54.89 3fjm s PHE 99 Cb 0.06 -0.52 0.01 0.00 -1.21 0.00 0.00 43.02 41.36 3fjm s PHE 99 CO 0.03 -0.39 0.29 -0.98 -1.34 0.00 0.00 175.22 172.84 3fjm s ARG 100 N -3.98 0.98 0.29 1.99 3.03 -0.56 -0.05 118.95 120.66 3fjm s ARG 100 Ca 0.20 -0.89 -0.15 0.00 2.03 0.00 0.00 55.73 56.92 3fjm s ARG 100 Cb 0.07 0.40 -0.09 0.00 -1.03 0.00 0.00 34.95 34.30 3fjm s ARG 100 CO -0.00 -0.35 0.71 -1.83 -1.13 0.00 0.00 175.30 172.69 3fjm s GLU 101 N -3.85 4.02 0.59 3.89 1.03 -1.26 -2.17 118.70 120.94 3fjm s GLU 101 Ca 0.06 0.65 -0.17 0.00 0.03 0.00 0.00 54.97 55.54 3fjm s GLU 101 Cb 0.03 -2.54 -0.03 0.00 -0.80 0.00 0.00 34.13 30.79 3fjm s GLU 101 CO -0.10 0.22 1.10 0.00 -1.33 0.00 0.00 175.26 175.16 3fjm s ALA 102 N -1.88 2.62 0.19 -0.84 0.00 -0.77 -1.90 121.76 119.19 3fjm s ALA 102 Ca 0.51 0.62 -0.00 0.00 0.00 0.00 0.00 51.96 53.09 3fjm s ALA 102 Cb -0.11 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 3fjm s ALA 102 CO 0.18 -0.95 0.09 0.96 0.00 0.00 0.00 175.76 176.05 3fjm s ILE 103 N -2.13 0.21 -0.25 0.00 -4.36 0.52 -4.49 121.20 110.71 3fjm s ILE 103 Ca 0.68 -1.98 -0.09 0.00 -0.26 0.00 0.00 60.65 59.00 3fjm s ILE 103 Cb -0.21 -2.38 -0.04 0.00 1.25 0.00 0.00 42.46 41.08 3fjm s ILE 103 CO 0.34 -0.16 0.13 -0.63 0.24 0.00 0.00 174.94 174.86 3fjm s ILE 104 N -4.00 5.02 -0.27 8.37 1.01 -0.68 -1.56 121.20 129.10 3fjm s ILE 104 Ca 0.34 0.06 -0.11 0.00 0.00 0.00 0.00 60.65 60.94 3fjm s ILE 104 Cb 0.07 -3.35 -0.05 0.00 0.01 0.00 0.00 42.46 39.15 3fjm s ILE 104 CO 0.09 0.33 0.21 -0.22 0.00 0.00 0.00 174.94 175.35 3fjm s LEU 105 N 1.30 4.05 0.32 2.97 2.96 -0.09 -0.19 118.68 130.01 3fjm s LEU 105 Ca 0.06 0.07 0.08 0.00 -0.22 0.00 0.00 54.13 54.12 3fjm s LEU 105 Cb -0.14 -2.16 -0.03 0.00 0.50 0.00 0.00 46.19 44.36 3fjm s LEU 105 CO 0.06 -0.03 0.24 0.42 -1.32 0.00 0.00 176.35 175.71 3fjm s THR 106 N 1.58 3.57 0.59 3.68 -4.23 -0.18 -0.96 115.64 119.69 3fjm s THR 106 Ca 0.08 -1.46 -0.20 0.00 -1.18 0.00 0.00 61.69 58.93 3fjm s THR 106 Cb -0.15 -3.16 -0.03 0.00 1.34 0.00 0.00 72.50 70.49 3fjm s THR 106 CO 0.09 -0.21 1.34 0.00 -0.54 0.00 0.00 174.62 175.30 3fjm n GLN 107 N -1.28 1.45 -1.63 3.99 1.13 -1.22 -0.35 117.38 119.46 3fjm n GLN 107 Ca -0.03 0.55 -0.52 0.00 -1.94 0.00 0.00 57.00 55.05 3fjm n GLN 107 Cb 0.60 -2.57 -0.06 0.00 0.11 0.00 0.00 30.24 28.32 3fjm n GLN 107 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 3fjm n LYS 108 N -1.42 1.30 0.00 -1.09 3.00 -1.26 -0.42 118.16 118.27 3fjm n LYS 108 Ca 0.13 0.47 0.00 0.00 -0.00 0.00 0.00 58.31 58.91 3fjm n LYS 108 Cb 0.46 -2.15 0.00 0.00 0.00 0.00 0.00 35.03 33.35 3fjm n LYS 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3fjm n GLY 109 N 3.06 1.38 3.65 3.14 0.00 -1.26 -4.59 105.19 110.56 3fjm n GLY 109 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 3fjm n GLY 109 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3fjm n ASN 110 N 0.00 -5.48 0.25 1.61 5.15 0.44 -4.85 115.26 112.37 3fjm n ASN 110 Ca 0.00 -0.95 0.08 0.00 -0.60 0.00 0.00 54.58 53.11 3fjm n ASN 110 Cb 0.00 -3.37 0.64 0.00 -0.53 0.00 0.00 39.78 36.52 3fjm n ASN 110 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3fjm h PRO 111 N -1.61 0.00 -0.20 1.20 0.13 -1.81 -1.13 132.00 128.58 3fjm h PRO 111 Ca -0.62 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 3fjm h PRO 111 Cb 1.34 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 3fjm h PRO 111 CO 0.46 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.51 3fjm n LEU 112 N -4.53 1.80 -3.77 1.56 4.77 -1.26 -4.94 117.00 110.63 3fjm n LEU 112 Ca -0.03 -0.77 -0.24 0.00 -0.03 0.00 0.00 56.01 54.94 3fjm n LEU 112 Cb 0.11 -0.13 0.03 0.00 -2.33 0.00 0.00 43.42 41.10 3fjm n LEU 112 CO 0.34 0.39 -0.00 0.29 -1.33 0.00 0.00 177.39 177.08 3fjm n LYS 113 N 0.42 -5.22 -2.14 3.23 4.76 -0.43 -4.90 118.16 113.88 3fjm n LYS 113 Ca 0.16 0.62 -0.42 0.00 -2.87 0.00 0.00 58.31 55.80 3fjm n LYS 113 Cb 0.34 -5.30 -0.03 0.00 -1.84 0.00 0.00 35.03 28.20 3fjm n LYS 113 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3fjm s ILE 114 N -3.54 3.15 -0.90 -0.18 1.01 -1.26 -4.92 121.20 114.56 3fjm s ILE 114 Ca 0.23 0.86 0.10 0.00 0.00 0.00 0.00 60.65 61.84 3fjm s ILE 114 Cb -0.11 -3.55 -0.00 0.00 0.01 0.00 0.00 42.46 38.80 3fjm s ILE 114 CO 0.82 0.08 0.62 0.29 0.00 0.00 0.00 174.94 176.75 3fjm n LYS 115 N 3.55 2.07 -2.65 2.79 4.76 -1.26 -4.98 118.16 122.44 3fjm n LYS 115 Ca 0.10 -0.60 0.00 0.00 -2.87 0.00 0.00 58.31 54.94 3fjm n LYS 115 Cb 0.42 -1.07 0.00 0.00 -1.84 0.00 0.00 35.03 32.53 3fjm n LYS 115 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3fjm n GLY 116 N 0.87 -0.53 0.22 0.72 0.00 -1.26 -4.86 105.19 100.34 3fjm n GLY 116 Ca 0.04 -1.45 -0.14 0.00 0.00 0.00 0.00 46.02 44.47 3fjm n GLY 116 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3fjm h LEU 117 N 0.00 0.81 -0.92 0.99 3.38 -1.97 -1.65 115.31 115.95 3fjm h LEU 117 Ca 0.00 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.41 3fjm h LEU 117 Cb 0.00 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3fjm h LEU 117 CO 0.00 1.18 0.33 0.11 0.09 0.00 0.00 178.44 180.15 3fjm h LYS 118 N 0.47 1.11 -0.77 1.13 1.57 -1.99 -1.25 116.57 116.84 3fjm h LYS 118 Ca 0.02 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 3fjm h LYS 118 Cb 1.01 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 33.10 3fjm h LYS 118 CO 0.10 0.88 0.39 0.22 -0.57 0.00 0.00 179.45 180.47 3fjm h ASP 119 N 1.10 0.99 -0.86 0.86 3.58 -1.87 -1.65 116.42 118.56 3fjm h ASP 119 Ca 0.26 -0.12 0.02 0.00 0.42 0.00 0.00 57.03 57.61 3fjm h ASP 119 Cb 0.16 -0.25 -0.05 0.00 1.72 0.00 0.00 39.33 40.91 3fjm h ASP 119 CO -0.03 0.83 0.57 -0.07 -2.88 0.00 0.00 179.24 177.66 3fjm h LEU 120 N 1.08 0.96 -1.04 2.28 3.38 -0.62 -1.39 115.31 119.95 3fjm h LEU 120 Ca 0.27 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.16 3fjm h LEU 120 Cb 0.09 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3fjm h LEU 120 CO -0.04 0.68 0.02 0.00 0.09 0.00 0.00 178.44 179.20 3fjm h ALA 121 N 1.33 1.21 0.00 1.53 0.00 -0.64 -3.15 119.26 119.55 3fjm h ALA 121 Ca 0.33 -0.23 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 3fjm h ALA 121 Cb -0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3fjm h ALA 121 CO -0.09 0.52 -1.05 -0.91 0.00 0.00 0.00 179.25 177.73 3fjm h ASN 122 N 0.67 0.00 -2.82 0.00 2.35 -0.85 -3.39 115.58 111.54 3fjm h ASN 122 Ca 0.14 -0.00 -0.45 0.00 -0.55 0.00 0.00 56.30 55.44 3fjm h ASN 122 Cb 0.38 -0.00 0.05 0.00 0.05 0.00 0.00 38.32 38.79 3fjm h ASN 122 CO 0.01 1.00 -0.01 -0.54 -1.65 0.00 0.00 177.43 176.25 3fjm s LYS 123 N -2.70 2.71 -0.59 0.81 1.02 -0.57 -5.04 119.74 115.37 3fjm s LYS 123 Ca 0.01 -0.56 -0.18 0.00 0.02 0.00 0.00 55.97 55.25 3fjm s LYS 123 Cb 0.10 -2.46 0.11 0.00 -0.52 0.00 0.00 37.83 35.06 3fjm s LYS 123 CO 0.82 -0.62 0.68 0.15 -0.92 0.00 0.00 175.35 175.45 3fjm s LYS 124 N -4.77 3.05 0.04 1.68 1.02 -1.26 -4.93 119.74 114.58 3fjm s LYS 124 Ca 0.54 -1.42 -0.04 0.00 0.02 0.00 0.00 55.97 55.08 3fjm s LYS 124 Cb -0.10 -4.29 -0.02 0.00 -0.52 0.00 0.00 37.83 32.90 3fjm s LYS 124 CO 0.39 -1.51 0.05 0.14 -0.92 0.00 0.00 175.35 173.51 3fjm s VAL 125 N 2.45 0.15 -0.30 3.17 -7.23 -1.26 -5.13 120.40 112.24 3fjm s VAL 125 Ca 0.10 -1.22 -0.13 0.00 -1.81 0.00 0.00 61.98 58.92 3fjm s VAL 125 Cb -0.25 -0.95 -0.03 0.00 0.56 0.00 0.00 36.38 35.71 3fjm s VAL 125 CO 0.05 -0.67 0.29 -0.13 -0.31 0.00 0.00 175.10 174.33 3fjm s ARG 126 N -2.76 3.82 -0.08 4.82 0.52 -1.26 -4.62 118.95 119.38 3fjm s ARG 126 Ca -0.04 -0.28 0.00 0.00 -0.52 0.00 0.00 55.73 54.89 3fjm s ARG 126 Cb -0.00 -3.71 -0.03 0.00 0.52 0.00 0.00 34.95 31.73 3fjm s ARG 126 CO -0.05 -0.32 -0.08 0.42 0.02 0.00 0.00 175.30 175.28 3fjm s ILE 127 N 1.90 3.59 -0.07 1.52 1.01 0.40 -0.19 121.20 129.36 3fjm s ILE 127 Ca 0.10 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.27 3fjm s ILE 127 Cb -0.16 -2.48 -0.02 0.00 0.01 0.00 0.00 42.46 39.81 3fjm s ILE 127 CO 0.11 0.58 -0.15 0.54 0.00 0.00 0.00 174.94 176.02 3fjm s VAL 128 N -0.54 2.99 0.00 2.92 0.11 0.23 -0.92 120.40 125.19 3fjm s VAL 128 Ca 0.08 -0.73 0.00 0.00 -2.93 0.00 0.00 61.98 58.40 3fjm s VAL 128 Cb -0.12 -2.18 -0.00 0.00 -1.53 0.00 0.00 36.38 32.54 3fjm s VAL 128 CO 0.02 0.57 -0.01 0.68 -3.33 0.00 0.00 175.10 173.04 3fjm s VAL 129 N -0.44 0.03 -0.14 2.04 -7.23 -0.91 -1.89 120.40 111.85 3fjm s VAL 129 Ca 0.05 -0.16 -0.25 0.00 -1.81 0.00 0.00 61.98 59.81 3fjm s VAL 129 Cb -0.12 -0.06 -0.02 0.00 0.56 0.00 0.00 36.38 36.74 3fjm s VAL 129 CO 0.02 -0.08 0.82 -2.84 -0.31 0.00 0.00 175.10 172.71 3fjm s PRO 130 N -0.25 4.33 -0.03 4.82 0.02 -1.26 -1.18 135.00 141.45 3fjm s PRO 130 Ca -0.03 1.02 0.01 0.00 0.02 0.00 0.00 61.00 62.02 3fjm s PRO 130 Cb -0.02 -3.55 0.02 0.00 0.02 0.00 0.00 34.50 30.97 3fjm s PRO 130 CO -0.00 -0.25 -0.02 -1.21 -0.33 0.00 0.00 177.00 175.18 3fjm s GLU 131 N 1.88 0.45 0.36 5.54 0.41 0.27 -3.36 118.70 124.26 3fjm s GLU 131 Ca 0.39 -0.01 0.14 0.00 -0.41 0.00 0.00 54.97 55.07 3fjm s GLU 131 Cb -0.17 -0.55 0.68 0.00 -1.78 0.00 0.00 34.13 32.32 3fjm s GLU 131 CO 0.14 -0.08 1.78 0.78 -0.49 0.00 0.00 175.26 177.40 3fjm h GLY 132 N 7.01 0.00 -2.61 -1.39 0.00 -1.80 -3.37 103.07 100.90 3fjm h GLY 132 Ca -0.39 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.61 3fjm h GLY 132 CO 0.48 0.00 -0.38 0.00 0.00 0.00 0.00 176.54 176.65 3fjm n ALA 133 N -2.43 -0.53 -0.93 3.60 0.00 -1.26 -1.55 120.51 117.40 3fjm n ALA 133 Ca -0.02 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3fjm n ALA 133 Cb 0.45 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.14 3fjm n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fjm n GLY 134 N -0.68 0.58 0.00 0.00 0.00 -1.26 -4.76 105.19 99.07 3fjm n GLY 134 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3fjm n GLY 134 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fjm n LYS 135 N -1.99 0.63 -4.12 1.61 4.76 -0.71 -5.04 118.16 113.30 3fjm n LYS 135 Ca 0.00 -0.18 -0.15 0.00 -2.87 0.00 0.00 58.31 55.12 3fjm n LYS 135 Cb 0.06 -0.60 -0.13 0.00 -1.84 0.00 0.00 35.03 32.51 3fjm n LYS 135 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3fjm s SER 136 N -0.14 0.75 -0.49 4.39 0.15 -0.60 -5.12 113.70 112.64 3fjm s SER 136 Ca 0.00 -0.31 -0.13 0.00 0.70 0.00 0.00 55.95 56.21 3fjm s SER 136 Cb 0.00 -0.02 0.11 0.00 -1.71 0.00 0.00 66.02 64.40 3fjm s SER 136 CO 0.00 -0.06 0.40 0.20 1.20 0.00 0.00 173.24 174.98 3fjm s ASN 137 N -0.82 5.96 0.04 5.45 0.01 -1.26 -4.23 114.94 120.08 3fjm s ASN 137 Ca -0.04 -1.72 0.04 0.00 -0.71 0.00 0.00 52.86 50.43 3fjm s ASN 137 Cb -0.06 -2.11 -0.02 0.00 0.41 0.00 0.00 41.25 39.47 3fjm s ASN 137 CO 0.00 -0.73 -0.12 0.28 -1.51 0.00 0.00 177.10 175.02 3fjm s THR 138 N 1.51 0.91 -0.35 1.60 -1.32 -1.26 -4.91 115.64 111.82 3fjm s THR 138 Ca 0.04 -0.99 0.22 0.00 -1.21 0.00 0.00 61.69 59.75 3fjm s THR 138 Cb -0.27 -0.86 0.22 0.00 -1.51 0.00 0.00 72.50 70.08 3fjm s THR 138 CO 0.02 -0.11 1.66 -1.54 -2.21 0.00 0.00 174.62 172.44 3fjm n SER 139 N 1.80 0.59 0.21 8.08 3.41 -1.26 -2.89 113.62 123.55 3fjm n SER 139 Ca -0.19 0.71 0.10 0.00 -0.26 0.00 0.00 58.87 59.24 3fjm n SER 139 Cb 0.55 -0.81 0.14 0.00 -0.26 0.00 0.00 64.21 63.83 3fjm n SER 139 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3fjm h GLY 140 N 0.98 0.00 -5.80 5.00 0.00 -1.94 -3.46 103.07 97.85 3fjm h GLY 140 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 3fjm h GLY 140 CO 0.00 0.00 1.18 2.41 0.00 0.00 0.00 176.54 180.13 3fjm n THR 141 N -3.12 0.60 -0.07 4.70 -1.04 -1.14 -1.38 114.28 112.83 3fjm n THR 141 Ca 0.04 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 3fjm n THR 141 Cb 0.57 -2.03 0.00 0.00 -1.82 0.00 0.00 70.33 67.05 3fjm n THR 141 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3fjm n GLY 142 N 4.65 1.23 0.17 3.41 0.00 -1.26 -4.96 105.19 108.43 3fjm n GLY 142 Ca 0.23 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.13 3fjm n GLY 142 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3fjm h VAL 143 N 0.00 0.77 -0.90 1.61 2.07 -1.55 -2.56 116.25 115.69 3fjm h VAL 143 Ca 0.00 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 3fjm h VAL 143 Cb 0.00 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 3fjm h VAL 143 CO 0.00 0.15 0.53 4.11 0.02 0.00 0.00 177.57 182.38 3fjm h TRP 144 N -0.76 1.19 -0.10 1.57 5.08 -1.93 -2.03 115.95 118.97 3fjm h TRP 144 Ca -0.03 -0.01 -0.15 0.00 1.08 0.00 0.00 58.89 59.78 3fjm h TRP 144 Cb 0.50 -0.39 -0.01 0.00 -3.00 0.00 0.00 29.16 26.26 3fjm h TRP 144 CO 0.04 0.80 -0.58 1.05 -1.28 0.00 0.00 178.44 178.48 3fjm h GLU 145 N 1.24 0.32 -0.07 0.12 4.11 -1.95 -1.60 114.58 116.75 3fjm h GLU 145 Ca 0.32 -0.21 -0.10 0.00 0.07 0.00 0.00 59.36 59.44 3fjm h GLU 145 Cb -0.03 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3fjm h GLU 145 CO -0.06 0.80 -0.42 -0.44 0.07 0.00 0.00 179.01 178.97 3fjm h ASP 146 N 0.24 0.16 0.05 3.06 3.32 -1.00 0.28 116.42 122.52 3fjm h ASP 146 Ca -0.00 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 3fjm h ASP 146 Cb 1.08 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.59 3fjm h ASP 146 CO 0.09 0.56 -0.02 0.24 -1.72 0.00 0.00 179.24 178.39 3fjm h MET 147 N 0.13 -0.06 0.00 3.56 2.86 -1.18 -3.31 114.93 116.93 3fjm h MET 147 Ca 0.01 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 3fjm h MET 147 Cb 0.80 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 3fjm h MET 147 CO 0.06 0.34 -0.22 0.97 1.06 0.00 0.00 176.91 179.12 3fjm h ILE 148 N -0.99 0.77 0.00 -1.22 6.09 -1.36 -2.26 117.51 118.54 3fjm h ILE 148 Ca -0.01 -0.91 -0.02 0.00 -1.37 0.00 0.00 64.86 62.55 3fjm h ILE 148 Cb 0.43 1.56 -0.00 0.00 0.47 0.00 0.00 36.82 39.27 3fjm h ILE 148 CO 0.01 0.22 -0.09 1.23 -3.07 0.00 0.00 178.15 176.45 3fjm h GLY 149 N 1.25 0.00 1.31 8.18 0.00 -1.06 -2.17 103.07 110.58 3fjm h GLY 149 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3fjm h GLY 149 CO 0.03 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.11 3fjm n ARG 150 N -3.64 0.51 0.13 4.80 1.74 -0.85 -1.25 116.66 118.11 3fjm n ARG 150 Ca -0.02 0.04 0.13 0.00 -0.77 0.00 0.00 57.85 57.23 3fjm n ARG 150 Cb 0.21 -1.50 0.42 0.00 -1.02 0.00 0.00 32.46 30.57 3fjm n ARG 150 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 3fjm h THR 151 N 0.00 0.00 -6.34 0.55 1.35 -1.56 -3.48 112.91 103.44 3fjm h THR 151 Ca 0.00 -0.47 -0.48 0.00 -0.55 0.00 0.00 66.41 64.91 3fjm h THR 151 Cb 0.12 1.39 -0.05 0.00 -1.73 0.00 0.00 68.15 67.88 3fjm h THR 151 CO 0.00 0.00 -0.78 0.00 -0.25 0.00 0.00 175.52 174.49 3fjm n GLN 152 N -2.39 -5.13 -3.58 4.72 6.02 -0.38 -4.96 117.38 111.69 3fjm n GLN 152 Ca 0.04 0.57 -0.21 0.00 -0.01 0.00 0.00 57.00 57.39 3fjm n GLN 152 Cb 0.38 -5.38 -0.15 0.00 1.02 0.00 0.00 30.24 26.11 3fjm n GLN 152 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3fjm s ASP 153 N -3.46 1.64 0.38 1.08 2.15 -1.26 -5.03 116.67 112.17 3fjm s ASP 153 Ca 0.58 -0.27 0.08 0.00 0.43 0.00 0.00 52.55 53.36 3fjm s ASP 153 Cb -0.29 0.09 0.77 0.00 -0.30 0.00 0.00 42.92 43.19 3fjm s ASP 153 CO 0.84 -0.32 1.94 -0.29 -0.17 0.00 0.00 175.17 177.17 3fjm h ILE 154 N 6.37 1.16 -0.59 4.11 6.09 -1.97 -1.55 117.51 131.13 3fjm h ILE 154 Ca -0.15 -0.64 -0.10 0.00 -1.37 0.00 0.00 64.86 62.60 3fjm h ILE 154 Cb 1.14 1.00 -0.02 0.00 0.47 0.00 0.00 36.82 39.41 3fjm h ILE 154 CO 0.26 0.21 -0.02 0.11 -3.07 0.00 0.00 178.15 175.64 3fjm h LYS 155 N 0.35 1.05 -0.43 2.19 1.57 -1.98 0.11 116.57 119.42 3fjm h LYS 155 Ca 0.08 -0.34 -0.03 0.00 -1.87 0.00 0.00 60.65 58.49 3fjm h LYS 155 Cb 0.27 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3fjm h LYS 155 CO 0.01 1.04 0.16 1.15 -0.57 0.00 0.00 179.45 181.23 3fjm h THR 156 N 0.94 1.21 -0.30 -0.16 2.02 -1.80 0.50 112.91 115.32 3fjm h THR 156 Ca 0.16 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.67 3fjm h THR 156 Cb 0.58 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 3fjm h THR 156 CO 0.03 0.24 0.20 0.40 0.37 0.00 0.00 175.52 176.77 3fjm h ILE 157 N 0.56 1.08 -0.25 3.11 2.04 -1.08 -0.57 117.51 122.40 3fjm h ILE 157 Ca 0.14 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.88 3fjm h ILE 157 Cb 0.23 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 3fjm h ILE 157 CO -0.01 0.07 0.11 1.56 0.00 0.00 0.00 178.15 179.89 3fjm h GLN 158 N 0.41 0.24 -0.44 2.37 4.20 -0.60 -1.28 115.11 120.01 3fjm h GLN 158 Ca 0.11 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 3fjm h GLN 158 Cb -0.04 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 3fjm h GLN 158 CO -0.03 0.16 0.27 -0.91 -0.67 0.00 0.00 178.83 177.65 3fjm h ASN 159 N 0.25 0.52 -0.14 1.46 2.35 -0.67 -0.41 115.58 118.94 3fjm h ASN 159 Ca 0.10 -0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.82 3fjm h ASN 159 Cb 0.04 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3fjm h ASN 159 CO -0.08 0.42 0.05 0.15 -1.65 0.00 0.00 177.43 176.32 3fjm h PHE 160 N 0.58 0.08 -0.58 1.19 3.57 -0.92 -2.69 116.94 118.19 3fjm h PHE 160 Ca 0.16 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 3fjm h PHE 160 Cb -0.01 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 3fjm h PHE 160 CO -0.03 0.04 0.25 -0.09 -2.23 0.00 0.00 178.31 176.25 3fjm h ARG 161 N 0.12 0.82 0.00 1.11 2.43 -0.90 -1.22 114.38 116.74 3fjm h ARG 161 Ca 0.06 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3fjm h ARG 161 Cb 0.04 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.43 3fjm h ARG 161 CO -0.06 0.66 -0.01 -0.91 -1.51 0.00 0.00 179.97 178.13 3fjm h ASN 162 N 0.82 0.00 0.39 -3.80 -0.26 -0.75 -1.57 115.58 110.41 3fjm h ASN 162 Ca 0.20 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.94 3fjm h ASN 162 Cb 0.13 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.39 3fjm h ASN 162 CO -0.02 0.01 -0.34 0.59 -1.06 0.00 0.00 177.43 176.61 3fjm n ASN 163 N -3.33 0.72 -4.61 5.81 3.02 -0.46 -4.82 115.26 111.59 3fjm n ASN 163 Ca -0.03 -0.54 -0.43 0.00 -0.03 0.00 0.00 54.58 53.56 3fjm n ASN 163 Cb 0.12 0.15 -0.02 0.00 -0.61 0.00 0.00 39.78 39.41 3fjm n ASN 163 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3fjm s ILE 164 N -2.73 4.12 -0.41 2.41 1.01 -0.59 -0.45 121.20 124.55 3fjm s ILE 164 Ca 0.19 1.19 0.23 0.00 0.00 0.00 0.00 60.65 62.25 3fjm s ILE 164 Cb 0.19 -4.34 -0.06 0.00 0.01 0.00 0.00 42.46 38.25 3fjm s ILE 164 CO 0.60 -0.74 1.03 1.33 0.00 0.00 0.00 174.94 177.15 3fjm n VAL 165 N 6.67 0.36 -3.66 2.92 0.24 -0.10 -4.88 118.33 119.89 3fjm n VAL 165 Ca 0.14 -0.39 -0.07 0.00 -2.04 0.00 0.00 64.34 61.98 3fjm n VAL 165 Cb 0.48 -0.09 -0.08 0.00 -1.47 0.00 0.00 33.84 32.68 3fjm n VAL 165 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fjm s ALA 166 N -3.29 -1.46 -0.36 2.33 0.00 -1.20 -5.05 121.76 112.72 3fjm s ALA 166 Ca 0.01 1.87 -0.13 0.00 0.00 0.00 0.00 51.96 53.72 3fjm s ALA 166 Cb 0.12 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.91 3fjm s ALA 166 CO 0.79 -0.58 0.24 -0.06 0.00 0.00 0.00 175.76 176.15 3fjm s PHE 167 N 2.15 3.23 0.18 0.00 0.08 -1.26 -2.14 117.98 120.22 3fjm s PHE 167 Ca -0.06 -0.49 0.06 0.00 0.12 0.00 0.00 56.93 56.55 3fjm s PHE 167 Cb -0.10 -2.48 -0.04 0.00 -0.57 0.00 0.00 43.02 39.83 3fjm s PHE 167 CO -0.16 -0.48 0.11 0.14 -0.10 0.00 0.00 175.22 174.73 3fjm s VAL 168 N 1.67 4.27 -0.05 -0.44 -7.23 -0.32 -4.80 120.40 113.49 3fjm s VAL 168 Ca 0.05 -1.23 0.31 0.00 -1.81 0.00 0.00 61.98 59.30 3fjm s VAL 168 Cb -0.18 -3.19 0.37 0.00 0.56 0.00 0.00 36.38 33.94 3fjm s VAL 168 CO 0.09 -0.15 1.90 1.55 -0.31 0.00 0.00 175.10 178.18 3fjm h PRO 169 N 2.34 0.00 -3.01 4.82 0.13 -1.89 0.80 132.00 135.19 3fjm h PRO 169 Ca -0.47 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.69 3fjm h PRO 169 Cb 1.21 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.26 3fjm h PRO 169 CO 0.62 0.00 0.22 0.54 -0.23 0.00 0.00 178.00 179.14 3fjm s ASN 170 N -5.64 -0.37 0.35 1.44 2.20 -1.26 -4.48 114.94 107.18 3fjm s ASN 170 Ca 0.03 -0.40 0.05 0.00 -0.94 0.00 0.00 52.86 51.60 3fjm s ASN 170 Cb 0.08 0.68 0.66 0.00 -2.00 0.00 0.00 41.25 40.67 3fjm s ASN 170 CO 0.55 -1.21 1.91 0.28 -2.94 0.00 0.00 177.10 175.69 3fjm h SER 171 N 2.01 0.47 -0.86 3.54 0.02 -1.91 -1.97 113.55 114.85 3fjm h SER 171 Ca -0.24 -0.08 0.02 0.00 -0.84 0.00 0.00 61.79 60.65 3fjm h SER 171 Cb 1.27 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.65 3fjm h SER 171 CO 0.29 0.51 0.57 1.23 -1.14 0.00 0.00 176.83 178.29 3fjm h GLY 172 N 0.78 1.21 1.11 -3.77 0.00 -1.97 0.87 103.07 101.30 3fjm h GLY 172 Ca 0.11 -0.44 -0.12 0.00 0.00 0.00 0.00 47.33 46.88 3fjm h GLY 172 CO 0.00 0.42 -0.16 1.76 0.00 0.00 0.00 176.54 178.57 3fjm h SER 173 N 1.13 1.04 -0.58 0.19 0.02 -1.79 -2.20 113.55 111.37 3fjm h SER 173 Ca 0.32 -0.37 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 3fjm h SER 173 Cb -0.09 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.14 3fjm h SER 173 CO -0.08 1.17 0.28 0.00 -1.14 0.00 0.00 176.83 177.07 3fjm h ALA 174 N 0.91 0.75 -0.61 3.77 0.00 -0.87 -1.87 119.26 121.33 3fjm h ALA 174 Ca 0.13 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3fjm h ALA 174 Cb 0.73 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3fjm h ALA 174 CO 0.06 0.31 0.40 -0.09 0.00 0.00 0.00 179.25 179.93 3fjm h ARG 175 N 0.79 0.78 -0.31 0.00 2.43 -0.67 0.11 114.38 117.50 3fjm h ARG 175 Ca 0.20 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 3fjm h ARG 175 Cb 0.12 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 3fjm h ARG 175 CO -0.03 0.51 0.11 -0.22 -1.51 0.00 0.00 179.97 178.84 3fjm h LYS 176 N 0.80 0.47 -0.41 0.20 3.64 -1.22 0.14 116.57 120.18 3fjm h LYS 176 Ca 0.23 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3fjm h LYS 176 Cb -0.06 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 3fjm h LYS 176 CO -0.06 0.49 0.24 1.25 -2.27 0.00 0.00 179.45 179.10 3fjm h LEU 177 N 0.35 0.51 -0.59 5.20 7.12 -1.08 -2.23 115.31 124.59 3fjm h LEU 177 Ca 0.10 -0.08 -0.02 0.00 0.13 0.00 0.00 57.88 58.01 3fjm h LEU 177 Cb 0.21 -0.13 -0.03 0.00 -0.53 0.00 0.00 40.66 40.18 3fjm h LEU 177 CO -0.01 0.44 0.27 0.15 -0.13 0.00 0.00 178.44 179.17 3fjm h PHE 178 N 0.54 0.86 0.00 1.25 3.04 -0.55 -2.49 116.94 119.59 3fjm h PHE 178 Ca 0.15 -0.05 -0.03 0.00 3.98 0.00 0.00 57.97 62.02 3fjm h PHE 178 Cb 0.03 -0.26 -0.00 0.00 2.56 0.00 0.00 35.95 38.27 3fjm h PHE 178 CO -0.03 0.66 -0.15 0.00 -2.02 0.00 0.00 178.31 176.77 3fjm h ALA 179 N 1.11 1.65 -0.06 2.41 0.00 -0.51 -1.24 119.26 122.62 3fjm h ALA 179 Ca 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3fjm h ALA 179 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3fjm h ALA 179 CO -0.02 0.19 0.00 1.04 0.00 0.00 0.00 179.25 180.46 3fjm n GLN 180 N -4.21 1.16 -2.98 0.00 6.02 -0.86 -4.88 117.38 111.62 3fjm n GLN 180 Ca -0.02 -0.24 -0.22 0.00 -0.01 0.00 0.00 57.00 56.50 3fjm n GLN 180 Cb 0.23 -1.14 0.03 0.00 1.02 0.00 0.00 30.24 30.38 3fjm n GLN 180 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3fjm n ASP 181 N -0.39 -6.15 -0.81 1.08 2.03 -0.47 -4.88 116.55 106.96 3fjm n ASP 181 Ca 0.06 -0.27 0.12 0.00 0.52 0.00 0.00 54.79 55.23 3fjm n ASP 181 Cb 0.08 -4.98 0.19 0.00 -0.72 0.00 0.00 41.12 35.69 3fjm n ASP 181 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3fjm n GLN 182 N -3.99 2.07 -3.84 -0.67 6.02 -1.06 -4.90 117.38 111.01 3fjm n GLN 182 Ca -0.12 -1.62 -0.12 0.00 -0.01 0.00 0.00 57.00 55.13 3fjm n GLN 182 Cb 0.63 -1.47 -0.10 0.00 1.02 0.00 0.00 30.24 30.32 3fjm n GLN 182 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3fjm s ALA 183 N -2.05 -0.40 -0.04 -1.58 0.00 -1.26 -4.95 121.76 111.48 3fjm s ALA 183 Ca 0.29 0.09 0.13 0.00 0.00 0.00 0.00 51.96 52.47 3fjm s ALA 183 Cb 0.20 -0.02 -0.15 0.00 0.00 0.00 0.00 23.12 23.16 3fjm s ALA 183 CO 0.33 -0.18 1.01 -0.44 0.00 0.00 0.00 175.76 176.49 3fjm h ASP 184 N 4.72 0.00 -3.74 0.00 3.32 -0.93 -3.46 116.42 116.33 3fjm h ASP 184 Ca -0.29 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.55 3fjm h ASP 184 Cb 1.19 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.47 3fjm h ASP 184 CO 0.40 0.79 -0.60 0.00 -1.72 0.00 0.00 179.24 178.12 3fjm s ALA 185 N -2.78 -0.26 -0.16 3.45 0.00 -0.56 -3.46 121.76 117.98 3fjm s ALA 185 Ca -0.01 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.28 3fjm s ALA 185 Cb 0.09 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.04 3fjm s ALA 185 CO 0.81 -0.06 -0.14 -0.46 0.00 0.00 0.00 175.76 175.90 3fjm s TRP 186 N 0.15 2.33 -0.41 0.00 -0.00 -0.13 -0.60 118.94 120.27 3fjm s TRP 186 Ca -0.01 -1.37 -0.29 0.00 -0.00 0.00 0.00 56.10 54.43 3fjm s TRP 186 Cb -0.02 -1.66 0.02 0.00 -0.00 0.00 0.00 33.47 31.81 3fjm s TRP 186 CO -0.00 -0.71 1.19 0.42 -0.00 0.00 0.00 176.95 177.84 3fjm s ILE 187 N 1.43 4.22 0.00 5.86 -1.09 -0.79 -0.91 121.20 129.92 3fjm s ILE 187 Ca 0.04 1.31 0.00 0.00 -2.23 0.00 0.00 60.65 59.76 3fjm s ILE 187 Cb -0.13 -4.45 0.00 0.00 -1.58 0.00 0.00 42.46 36.30 3fjm s ILE 187 CO -0.11 -0.78 0.00 1.07 -1.23 0.00 0.00 174.94 173.89 3fjm n THR 188 N 6.57 0.00 -4.28 2.92 5.66 -0.60 -4.57 114.28 119.99 3fjm n THR 188 Ca 0.13 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.84 3fjm n THR 188 Cb 0.48 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.16 3fjm n THR 188 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 3fjm s TRP 189 N -1.28 2.62 0.39 1.09 0.52 -1.26 -0.35 118.94 120.66 3fjm s TRP 189 Ca 0.00 -0.22 0.14 0.00 0.02 0.00 0.00 56.10 56.04 3fjm s TRP 189 Cb 0.00 -1.36 0.98 0.00 -1.15 0.00 0.00 33.47 31.94 3fjm s TRP 189 CO 0.00 0.42 1.84 0.97 0.02 0.00 0.00 176.95 180.20 3fjm h ILE 190 N 3.31 0.70 0.00 2.03 6.09 -1.68 -1.21 117.51 126.75 3fjm h ILE 190 Ca -0.49 -0.18 -0.03 0.00 -1.37 0.00 0.00 64.86 62.79 3fjm h ILE 190 Cb 1.17 0.14 -0.00 0.00 0.47 0.00 0.00 36.82 38.60 3fjm h ILE 190 CO 0.49 0.09 -0.15 -2.24 -3.07 0.00 0.00 178.15 173.28 3fjm h ASP 191 N 0.51 0.00 -0.08 2.19 2.03 -1.86 -0.69 116.42 118.52 3fjm h ASP 191 Ca 0.50 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.71 3fjm h ASP 191 Cb 1.08 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.57 3fjm h ASP 191 CO -0.23 0.15 -0.19 -0.50 -1.03 0.00 0.00 179.24 177.44 3fjm h TRP 192 N 0.00 0.52 -0.09 4.15 4.06 -1.53 0.92 115.95 123.98 3fjm h TRP 192 Ca -0.00 -0.10 -0.16 0.00 2.06 0.00 0.00 58.89 60.70 3fjm h TRP 192 Cb 0.28 -0.13 0.01 0.00 -1.00 0.00 0.00 29.16 28.31 3fjm h TRP 192 CO 0.00 0.64 -0.56 1.03 -3.56 0.00 0.00 178.44 176.00 3fjm h SER 193 N 0.43 0.65 -0.43 -3.49 0.87 -1.32 -2.26 113.55 108.01 3fjm h SER 193 Ca 0.07 -0.66 -0.02 0.00 -1.23 0.00 0.00 61.79 59.96 3fjm h SER 193 Cb 0.58 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 3fjm h SER 193 CO 0.04 1.20 0.22 0.11 -0.53 0.00 0.00 176.83 177.87 3fjm h LYS 194 N 0.14 0.64 0.00 2.24 1.79 -0.95 -1.62 116.57 118.81 3fjm h LYS 194 Ca -0.04 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.34 3fjm h LYS 194 Cb 1.21 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 31.73 3fjm h LYS 194 CO 0.11 0.51 -0.06 0.77 -1.08 0.00 0.00 179.45 179.70 3fjm h SER 195 N 0.65 0.00 -2.01 0.86 0.02 -0.84 -3.37 113.55 108.86 3fjm h SER 195 Ca 0.16 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.58 3fjm h SER 195 Cb 0.08 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 62.22 3fjm h SER 195 CO -0.02 0.06 -1.12 0.59 -1.14 0.00 0.00 176.83 175.21 3fjm n ASN 196 N -3.12 0.55 0.19 3.07 3.02 -0.80 -4.98 115.26 113.20 3fjm n ASN 196 Ca 0.04 -2.83 0.13 0.00 -0.03 0.00 0.00 54.58 51.89 3fjm n ASN 196 Cb 0.55 -0.63 0.71 0.00 -0.61 0.00 0.00 39.78 39.80 3fjm n ASN 196 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3fjm h PRO 197 N 3.67 0.00 0.00 3.52 0.13 -1.50 -2.92 132.00 134.89 3fjm h PRO 197 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3fjm h PRO 197 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3fjm h PRO 197 CO 0.49 0.00 -0.90 -0.25 -0.23 0.00 0.00 178.00 177.11 3fjm n ASP 198 N -4.31 0.69 0.00 1.44 8.00 -1.26 -4.18 116.55 116.93 3fjm n ASP 198 Ca 0.01 0.08 0.14 0.00 0.71 0.00 0.00 54.79 55.73 3fjm n ASP 198 Cb 0.26 0.49 0.65 0.00 -0.02 0.00 0.00 41.12 42.50 3fjm n ASP 198 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3fjm n ILE 199 N -2.23 0.06 0.00 0.53 -6.64 -1.10 -4.87 119.36 105.11 3fjm n ILE 199 Ca 0.02 0.02 0.00 0.00 -1.77 0.00 0.00 62.75 61.01 3fjm n ILE 199 Cb 0.47 -0.54 0.00 0.00 -1.44 0.00 0.00 39.64 38.14 3fjm n ILE 199 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3fjm n GLY 200 N 1.30 -1.06 3.31 3.28 0.00 -1.26 -4.36 105.19 106.40 3fjm n GLY 200 Ca 0.10 -1.03 -0.34 0.00 0.00 0.00 0.00 46.02 44.75 3fjm n GLY 200 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fjm s THR 201 N -2.00 3.07 0.10 2.61 2.01 0.53 -4.72 115.64 117.24 3fjm s THR 201 Ca 0.00 -0.62 -0.30 0.00 0.31 0.00 0.00 61.69 61.08 3fjm s THR 201 Cb 0.00 -2.35 -0.06 0.00 0.01 0.00 0.00 72.50 70.11 3fjm s THR 201 CO 0.00 0.48 1.01 0.00 -0.69 0.00 0.00 174.62 175.42 3fjm s ALA 202 N 1.02 3.27 -0.14 7.40 0.00 -1.26 -1.01 121.76 131.03 3fjm s ALA 202 Ca -0.01 0.64 0.02 0.00 0.00 0.00 0.00 51.96 52.62 3fjm s ALA 202 Cb -0.15 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.67 3fjm s ALA 202 CO -0.01 -0.13 -0.22 0.08 0.00 0.00 0.00 175.76 175.48 3fjm s VAL 203 N 0.20 2.07 0.47 0.00 1.01 0.74 -4.97 120.40 119.92 3fjm s VAL 203 Ca 0.49 -0.97 -0.23 0.00 0.00 0.00 0.00 61.98 61.27 3fjm s VAL 203 Cb -0.25 -1.83 -0.07 0.00 0.00 0.00 0.00 36.38 34.23 3fjm s VAL 203 CO 0.31 0.55 1.22 0.00 0.00 0.00 0.00 175.10 177.18 3fjm s ALA 204 N 0.86 2.98 0.14 5.51 0.00 -1.26 -1.69 121.76 128.31 3fjm s ALA 204 Ca -0.06 1.06 -0.12 0.00 0.00 0.00 0.00 51.96 52.84 3fjm s ALA 204 Cb -0.15 -3.44 -0.07 0.00 0.00 0.00 0.00 23.12 19.47 3fjm s ALA 204 CO -0.03 -0.83 0.50 0.42 0.00 0.00 0.00 175.76 175.83 3fjm s ILE 205 N -1.45 4.94 -0.09 0.00 1.01 -1.26 -4.59 121.20 119.76 3fjm s ILE 205 Ca 0.64 0.67 -0.40 0.00 0.00 0.00 0.00 60.65 61.56 3fjm s ILE 205 Cb -0.32 -3.69 -0.18 0.00 0.01 0.00 0.00 42.46 38.27 3fjm s ILE 205 CO 0.39 0.22 1.35 -0.62 0.00 0.00 0.00 174.94 176.28 3fjm n GLU 206 N 0.71 0.57 0.22 2.79 4.71 -1.26 -4.71 120.64 123.67 3fjm n GLU 206 Ca -0.05 0.21 0.15 0.00 -0.01 0.00 0.00 57.16 57.45 3fjm n GLU 206 Cb 0.52 -1.78 0.79 0.00 -1.01 0.00 0.00 31.44 29.96 3fjm n GLU 206 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 3fjm h LYS 207 N 4.50 0.00 -0.01 3.49 1.79 -1.95 0.35 116.57 124.74 3fjm h LYS 207 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 3fjm h LYS 207 Cb 1.37 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.02 3fjm h LYS 207 CO 0.79 0.00 -0.08 -0.40 -1.08 0.00 0.00 179.45 178.68 3fjm n ASP 208 N -4.06 0.64 -0.01 0.86 5.75 -1.26 -4.01 116.55 114.45 3fjm n ASP 208 Ca 0.00 -0.84 -0.01 0.00 -0.01 0.00 0.00 54.79 53.93 3fjm n ASP 208 Cb 0.23 -0.03 -0.03 0.00 -1.03 0.00 0.00 41.12 40.26 3fjm n ASP 208 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3fjm n LEU 209 N -0.72 0.00 -4.75 -2.12 4.77 -0.03 -4.95 117.00 109.19 3fjm n LEU 209 Ca 0.17 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.78 3fjm n LEU 209 Cb 0.27 0.06 0.04 0.00 -2.33 0.00 0.00 43.42 41.46 3fjm n LEU 209 CO 0.22 0.06 0.88 0.54 -1.33 0.00 0.00 177.39 177.76 3fjm s VAL 210 N -2.12 2.47 0.21 4.08 0.11 -0.37 -4.28 120.40 120.50 3fjm s VAL 210 Ca -0.02 0.31 0.09 0.00 -2.93 0.00 0.00 61.98 59.44 3fjm s VAL 210 Cb 0.01 -3.14 -0.04 0.00 -1.53 0.00 0.00 36.38 31.68 3fjm s VAL 210 CO 0.14 -0.04 -0.09 0.68 -3.33 0.00 0.00 175.10 172.45 3fjm s VAL 211 N -1.49 3.15 -0.11 2.04 -7.23 -1.26 -5.00 120.40 110.49 3fjm s VAL 211 Ca 0.76 -1.78 0.03 0.00 -1.81 0.00 0.00 61.98 59.17 3fjm s VAL 211 Cb -0.33 -2.59 0.01 0.00 0.56 0.00 0.00 36.38 34.02 3fjm s VAL 211 CO 0.37 -0.18 -0.21 -0.31 -0.31 0.00 0.00 175.10 174.46 3fjm s TYR 212 N -1.88 2.41 0.32 2.82 1.51 -1.26 -1.85 117.35 119.42 3fjm s TYR 212 Ca 0.26 -1.09 0.10 0.00 -1.01 0.00 0.00 57.07 55.33 3fjm s TYR 212 Cb -0.08 -1.65 -0.06 0.00 -0.11 0.00 0.00 41.96 40.06 3fjm s TYR 212 CO 0.16 -0.49 -0.12 1.03 -1.11 0.00 0.00 175.55 175.02 3fjm s ARG 213 N 0.64 1.77 0.19 -0.62 0.52 -0.92 -4.89 118.95 115.65 3fjm s ARG 213 Ca -0.12 -1.89 0.05 0.00 -0.52 0.00 0.00 55.73 53.25 3fjm s ARG 213 Cb -0.16 -1.71 -0.04 0.00 0.52 0.00 0.00 34.95 33.57 3fjm s ARG 213 CO 0.03 0.19 0.22 0.95 0.02 0.00 0.00 175.30 176.71 3fjm s THR 214 N -2.59 4.82 -0.02 0.02 -4.23 -1.26 -1.49 115.64 110.87 3fjm s THR 214 Ca 0.32 -1.04 -0.11 0.00 -1.18 0.00 0.00 61.69 59.68 3fjm s THR 214 Cb 0.00 -3.52 -0.05 0.00 1.34 0.00 0.00 72.50 70.27 3fjm s THR 214 CO 0.16 -0.19 0.31 0.12 -0.54 0.00 0.00 174.62 174.48 3fjm s PHE 215 N -1.87 3.66 0.17 3.99 5.36 0.58 -2.38 117.98 127.48 3fjm s PHE 215 Ca 0.33 0.79 -0.07 0.00 -0.96 0.00 0.00 56.93 57.01 3fjm s PHE 215 Cb -0.10 -2.14 -0.02 0.00 -0.34 0.00 0.00 43.02 40.43 3fjm s PHE 215 CO 0.26 0.65 0.24 0.54 -1.46 0.00 0.00 175.22 175.45 3fjm s ASN 216 N -1.22 0.09 0.03 6.13 2.20 -1.08 -0.97 114.94 120.13 3fjm s ASN 216 Ca 0.23 -0.98 -0.00 0.00 -0.94 0.00 0.00 52.86 51.17 3fjm s ASN 216 Cb -0.15 0.41 -0.03 0.00 -2.00 0.00 0.00 41.25 39.49 3fjm s ASN 216 CO 0.12 -0.87 -0.03 0.68 -2.94 0.00 0.00 177.10 174.05 3fjm s VAL 217 N -4.00 0.17 -0.03 3.54 -7.23 -0.84 -0.96 120.40 111.05 3fjm s VAL 217 Ca 0.20 -1.21 -0.01 0.00 -1.81 0.00 0.00 61.98 59.16 3fjm s VAL 217 Cb 0.04 -0.68 0.03 0.00 0.56 0.00 0.00 36.38 36.33 3fjm s VAL 217 CO 0.02 -0.66 0.05 -0.51 -0.31 0.00 0.00 175.10 173.69 3fjm s ILE 218 N -2.25 -0.06 0.12 -0.62 2.07 -0.22 -0.84 121.20 119.40 3fjm s ILE 218 Ca -0.08 0.21 -0.16 0.00 -1.41 0.00 0.00 60.65 59.21 3fjm s ILE 218 Cb -0.04 -0.11 -0.07 0.00 0.13 0.00 0.00 42.46 42.37 3fjm s ILE 218 CO -0.04 0.08 0.55 0.00 -1.91 0.00 0.00 174.94 173.63 3fjm s ALA 219 N 1.07 3.59 0.78 1.50 0.00 -1.26 -1.47 121.76 125.97 3fjm s ALA 219 Ca -0.09 -0.09 -0.13 0.00 0.00 0.00 0.00 51.96 51.65 3fjm s ALA 219 Cb -0.12 -2.55 0.07 0.00 0.00 0.00 0.00 23.12 20.51 3fjm s ALA 219 CO -0.03 0.44 1.18 -1.59 0.00 0.00 0.00 175.76 175.76 3fjm s LYS 220 N -1.68 1.86 0.23 0.00 -2.85 -0.39 -4.75 119.74 112.15 3fjm s LYS 220 Ca 0.35 1.66 -0.31 0.00 -1.00 0.00 0.00 55.97 56.66 3fjm s LYS 220 Cb -0.16 -1.81 -0.12 0.00 -2.06 0.00 0.00 37.83 33.68 3fjm s LYS 220 CO 0.19 -2.03 1.69 0.39 0.10 0.00 0.00 175.35 175.69 3fjm n GLU 221 N -3.18 2.77 -1.34 1.78 -0.58 -0.72 -1.78 120.64 117.60 3fjm n GLU 221 Ca 0.13 0.99 -0.03 0.00 -0.42 0.00 0.00 57.16 57.83 3fjm n GLU 221 Cb 0.51 -2.83 -0.01 0.00 -0.57 0.00 0.00 31.44 28.54 3fjm n GLU 221 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3fjm n GLY 222 N 3.48 0.52 3.64 0.62 0.00 -1.26 -4.99 105.19 107.20 3fjm n GLY 222 Ca 0.14 -0.89 -0.44 0.00 0.00 0.00 0.00 46.02 44.83 3fjm n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fjm n ALA 223 N 0.49 0.42 -1.11 4.61 0.00 -0.73 -4.95 120.51 119.23 3fjm n ALA 223 Ca -0.03 0.38 -0.30 0.00 0.00 0.00 0.00 53.44 53.49 3fjm n ALA 223 Cb 0.21 -2.12 0.14 0.00 0.00 0.00 0.00 19.45 17.68 3fjm n ALA 223 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3fjm s SER 224 N -0.45 3.49 0.25 0.00 1.04 -1.26 -4.81 113.70 111.95 3fjm s SER 224 Ca 0.57 1.66 -0.06 0.00 0.48 0.00 0.00 55.95 58.60 3fjm s SER 224 Cb -0.64 -2.31 0.26 0.00 0.10 0.00 0.00 66.02 63.42 3fjm s SER 224 CO 0.61 -2.65 1.90 0.50 0.98 0.00 0.00 173.24 174.57 3fjm h LYS 225 N -1.56 1.27 -0.47 4.02 3.11 -1.99 -0.89 116.57 120.06 3fjm h LYS 225 Ca -0.48 -0.11 -0.09 0.00 -2.81 0.00 0.00 60.65 57.16 3fjm h LYS 225 Cb 1.27 -0.27 -0.02 0.00 -1.00 0.00 0.00 32.23 32.22 3fjm h LYS 225 CO 0.52 0.88 -0.06 0.93 -2.81 0.00 0.00 179.45 178.91 3fjm h GLU 226 N 1.29 0.82 -0.13 1.90 5.08 -1.99 0.20 114.58 121.75 3fjm h GLU 226 Ca 0.34 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3fjm h GLU 226 Cb -0.06 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3fjm h GLU 226 CO -0.06 0.87 0.07 1.15 -1.00 0.00 0.00 179.01 180.03 3fjm h THR 227 N 0.75 1.12 -0.86 1.13 2.02 -1.80 -2.10 112.91 113.17 3fjm h THR 227 Ca 0.13 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.98 3fjm h THR 227 Cb 0.54 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 68.00 3fjm h THR 227 CO 0.03 0.11 0.54 1.56 0.37 0.00 0.00 175.52 178.13 3fjm h GLN 228 N 0.10 1.15 -0.71 6.66 4.20 -0.75 -1.94 115.11 123.82 3fjm h GLN 228 Ca 0.05 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 3fjm h GLN 228 Cb 0.11 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 3fjm h GLN 228 CO -0.01 0.79 0.28 -0.44 -0.67 0.00 0.00 178.83 178.78 3fjm h ASP 229 N 1.18 0.96 -0.34 1.46 3.32 -0.42 -1.51 116.42 121.07 3fjm h ASP 229 Ca 0.31 -0.14 -0.14 0.00 0.02 0.00 0.00 57.03 57.08 3fjm h ASP 229 Cb -0.09 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.20 3fjm h ASP 229 CO -0.06 0.85 -0.32 0.15 -1.72 0.00 0.00 179.24 178.13 3fjm h PHE 230 N 1.02 1.02 -0.66 4.55 3.57 -0.85 -1.83 116.94 123.76 3fjm h PHE 230 Ca 0.24 -0.28 0.04 0.00 3.53 0.00 0.00 57.97 61.50 3fjm h PHE 230 Cb 0.19 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.66 3fjm h PHE 230 CO 0.02 1.07 0.40 0.82 -2.23 0.00 0.00 178.31 178.38 3fjm h ILE 231 N 0.73 1.05 -0.95 1.41 2.04 -0.98 -1.33 117.51 119.47 3fjm h ILE 231 Ca 0.08 -0.26 0.03 0.00 1.00 0.00 0.00 64.86 65.70 3fjm h ILE 231 Cb 0.89 0.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 3fjm h ILE 231 CO 0.08 0.14 0.62 0.00 0.00 0.00 0.00 178.15 178.99 3fjm h ALA 232 N 1.30 1.25 0.00 1.87 0.00 -1.07 -2.17 119.26 120.43 3fjm h ALA 232 Ca 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3fjm h ALA 232 Cb 0.07 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3fjm h ALA 232 CO -0.13 0.53 -0.05 -0.92 0.00 0.00 0.00 179.25 178.68 3fjm h TYR 233 N 1.23 0.00 0.00 0.00 3.20 -0.39 -1.15 116.97 119.85 3fjm h TYR 233 Ca 0.37 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.24 3fjm h TYR 233 Cb -0.04 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.23 3fjm h TYR 233 CO -0.01 0.05 0.00 1.28 -1.64 0.00 0.00 178.16 177.84 3fjm n LEU 234 N -4.16 0.54 -0.77 2.82 4.77 -0.82 -0.92 117.00 118.48 3fjm n LEU 234 Ca -0.03 0.68 0.07 0.00 -0.03 0.00 0.00 56.01 56.71 3fjm n LEU 234 Cb 0.13 -0.67 0.16 0.00 -2.33 0.00 0.00 43.42 40.71 3fjm n LEU 234 CO 0.32 -0.70 0.62 -1.20 -1.33 0.00 0.00 177.39 175.10 3fjm n SER 235 N -2.16 2.93 -4.81 -1.43 7.64 -0.44 -4.49 113.62 110.86 3fjm n SER 235 Ca 0.01 -1.89 -0.31 0.00 1.01 0.00 0.00 58.87 57.69 3fjm n SER 235 Cb 0.13 -0.22 0.06 0.00 -1.01 0.00 0.00 64.21 63.18 3fjm n SER 235 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3fjm s SER 236 N -1.06 5.11 0.30 6.43 1.04 -0.09 -4.83 113.70 120.59 3fjm s SER 236 Ca 0.27 1.58 -0.01 0.00 0.48 0.00 0.00 55.95 58.27 3fjm s SER 236 Cb 0.15 -2.41 0.48 0.00 0.10 0.00 0.00 66.02 64.34 3fjm s SER 236 CO 0.20 -1.61 1.94 0.50 0.98 0.00 0.00 173.24 175.24 3fjm h LYS 237 N -0.84 1.05 -0.39 4.02 1.63 -1.95 -0.37 116.57 119.72 3fjm h LYS 237 Ca -0.44 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.29 3fjm h LYS 237 Cb 1.22 -0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 32.60 3fjm h LYS 237 CO 0.57 0.69 0.23 1.05 -3.45 0.00 0.00 179.45 178.54 3fjm h GLU 238 N 1.08 0.54 -0.36 1.90 9.09 -1.92 -2.33 114.58 122.58 3fjm h GLU 238 Ca 0.35 -0.05 -0.10 0.00 0.05 0.00 0.00 59.36 59.61 3fjm h GLU 238 Cb 0.05 -0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 27.03 3fjm h GLU 238 CO -0.11 0.41 -0.18 0.00 0.05 0.00 0.00 179.01 179.18 3fjm h ALA 239 N 1.10 0.50 -0.83 1.06 0.00 -1.61 -2.85 119.26 116.64 3fjm h ALA 239 Ca 0.14 -0.35 0.13 0.00 0.00 0.00 0.00 54.91 54.82 3fjm h ALA 239 Cb 0.01 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.59 3fjm h ALA 239 CO -0.03 0.44 0.43 0.87 0.00 0.00 0.00 179.25 180.97 3fjm h LYS 240 N 0.54 0.64 -0.42 0.00 1.57 -0.96 0.67 116.57 118.62 3fjm h LYS 240 Ca 0.08 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 3fjm h LYS 240 Cb 0.72 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 3fjm h LYS 240 CO 0.05 0.43 -0.21 1.49 -0.57 0.00 0.00 179.45 180.64 3fjm h GLU 241 N 0.66 0.83 -0.19 3.15 4.57 -1.28 -0.36 114.58 121.97 3fjm h GLU 241 Ca 0.43 -0.33 -0.05 0.00 -1.18 0.00 0.00 59.36 58.23 3fjm h GLU 241 Cb 0.54 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 3fjm h GLU 241 CO -0.32 0.96 -0.07 0.82 -1.18 0.00 0.00 179.01 179.22 3fjm h ILE 242 N 0.72 1.30 -0.71 2.32 2.04 -1.12 -2.38 117.51 119.68 3fjm h ILE 242 Ca 0.10 -1.09 0.09 0.00 1.00 0.00 0.00 64.86 64.95 3fjm h ILE 242 Cb 0.74 1.63 -0.07 0.00 -0.74 0.00 0.00 36.82 38.38 3fjm h ILE 242 CO 0.06 0.33 0.37 -0.26 0.00 0.00 0.00 178.15 178.65 3fjm h PHE 243 N 0.08 0.66 -0.83 1.37 0.04 -0.76 -2.16 116.94 115.34 3fjm h PHE 243 Ca 0.04 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.84 3fjm h PHE 243 Cb 0.54 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.46 3fjm h PHE 243 CO 0.06 0.26 0.53 -0.22 -0.60 0.00 0.00 178.31 178.33 3fjm h LYS 244 N 0.64 1.10 -0.24 1.51 3.64 -0.89 -1.33 116.57 121.00 3fjm h LYS 244 Ca 0.35 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.66 3fjm h LYS 244 Cb 0.33 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3fjm h LYS 244 CO -0.25 0.75 0.16 0.87 -2.27 0.00 0.00 179.45 178.71 3fjm h LYS 245 N 1.13 0.25 -0.15 1.90 1.57 -0.86 -1.00 116.57 119.40 3fjm h LYS 245 Ca 0.30 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3fjm h LYS 245 Cb -0.09 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.16 3fjm h LYS 245 CO -0.06 0.16 0.00 0.66 -0.57 0.00 0.00 179.45 179.64 3fjm n TYR 246 N -4.50 0.18 0.00 -1.35 4.01 -0.66 -4.93 117.16 109.91 3fjm n TYR 246 Ca 0.01 -0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 3fjm n TYR 246 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 3fjm n TYR 246 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fjm n GLY 247 N 1.24 0.67 3.72 2.72 0.00 -0.38 -3.55 105.19 109.62 3fjm n GLY 247 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3fjm n GLY 247 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3fjm s TRP 248 N -2.00 3.69 0.40 1.61 0.52 -0.59 -4.61 118.94 117.95 3fjm s TRP 248 Ca 0.00 1.63 0.07 0.00 0.02 0.00 0.00 56.10 57.82 3fjm s TRP 248 Cb 0.00 -3.03 -0.08 0.00 -1.15 0.00 0.00 33.47 29.21 3fjm s TRP 248 CO 0.00 0.08 0.02 1.03 0.02 0.00 0.00 176.95 178.09 3fjm s ARG 249 N 0.67 1.91 -0.07 4.98 0.52 0.93 -3.57 118.95 124.31 3fjm s ARG 249 Ca 0.48 -2.08 -0.01 0.00 -0.52 0.00 0.00 55.73 53.60 3fjm s ARG 249 Cb -0.21 -1.52 -0.04 0.00 0.52 0.00 0.00 34.95 33.70 3fjm s ARG 249 CO 0.26 -0.07 -0.08 0.39 0.02 0.00 0.00 175.30 175.83 3fjm n GLU 250 N -0.92 0.17 -0.82 3.54 1.02 -1.26 -1.80 120.64 120.57 3fjm n GLU 250 Ca -0.05 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3fjm n GLU 250 Cb 0.67 -0.99 0.00 0.00 -0.02 0.00 0.00 31.44 31.09 3fjm n GLU 250 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03