#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nnj s LEU 29 N 0.00 3.62 0.62 -5.58 1.43 -1.23 -1.19 118.68 116.35 2nnj s LEU 29 Ca 0.00 2.07 -0.18 0.00 -1.03 0.00 0.00 54.13 54.99 2nnj s LEU 29 Cb 0.00 -4.57 -0.03 0.00 0.03 0.00 0.00 46.19 41.63 2nnj s LEU 29 CO 0.00 -1.32 1.18 -2.65 0.23 0.00 0.00 176.35 173.79 2nnj n PRO 30 N -1.70 1.07 -0.68 1.29 -0.02 -1.26 -4.92 135.00 128.79 2nnj n PRO 30 Ca 0.11 0.42 -0.29 0.00 -2.02 0.00 0.00 63.50 61.72 2nnj n PRO 30 Cb 0.52 -2.40 0.23 0.00 -0.02 0.00 0.00 33.50 31.83 2nnj n PRO 30 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2nnj s PRO 31 N -3.11 -0.50 -0.03 0.52 0.02 -1.26 -3.56 135.00 127.08 2nnj s PRO 31 Ca 0.79 0.85 -0.19 0.00 0.02 0.00 0.00 61.00 62.47 2nnj s PRO 31 Cb -0.40 -1.60 0.06 0.00 0.02 0.00 0.00 34.50 32.59 2nnj s PRO 31 CO 0.43 -3.45 0.87 0.41 -0.33 0.00 0.00 177.00 174.94 2nnj n GLY 32 N 0.39 0.30 3.77 0.52 0.00 -1.26 -1.31 105.19 107.60 2nnj n GLY 32 Ca 0.04 -0.96 -0.39 0.00 0.00 0.00 0.00 46.02 44.71 2nnj n GLY 32 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2nnj s PRO 33 N -2.01 3.90 0.05 1.61 0.02 -1.26 -4.92 135.00 132.40 2nnj s PRO 33 Ca 0.21 2.02 -0.30 0.00 0.02 0.00 0.00 61.00 62.94 2nnj s PRO 33 Cb -0.00 -2.65 -0.08 0.00 0.02 0.00 0.00 34.50 31.78 2nnj s PRO 33 CO -0.01 -0.51 1.77 0.99 -0.33 0.00 0.00 177.00 178.91 2nnj s THR 34 N -1.34 3.03 0.39 0.99 2.01 -1.26 -4.88 115.64 114.57 2nnj s THR 34 Ca 0.59 0.32 -0.18 0.00 0.31 0.00 0.00 61.69 62.73 2nnj s THR 34 Cb -0.35 -3.20 -0.10 0.00 0.01 0.00 0.00 72.50 68.86 2nnj s THR 34 CO 0.44 -0.01 0.86 -2.16 -0.69 0.00 0.00 174.62 173.06 2nnj s PRO 35 N 3.38 4.11 0.27 4.92 0.04 -1.26 -4.83 135.00 141.63 2nnj s PRO 35 Ca 0.79 0.91 -0.19 0.00 0.04 0.00 0.00 61.00 62.55 2nnj s PRO 35 Cb -0.41 -2.29 -0.09 0.00 0.04 0.00 0.00 34.50 31.76 2nnj s PRO 35 CO 0.35 0.04 0.76 -0.51 0.04 0.00 0.00 177.00 177.67 2nnj s LEU 36 N -3.16 4.25 0.18 -3.56 1.43 -0.58 -4.91 118.68 112.33 2nnj s LEU 36 Ca 0.58 1.43 -0.02 0.00 -1.03 0.00 0.00 54.13 55.09 2nnj s LEU 36 Cb -0.10 -3.80 0.37 0.00 0.03 0.00 0.00 46.19 42.69 2nnj s LEU 36 CO 0.16 -0.06 0.98 -2.65 0.23 0.00 0.00 176.35 175.01 2nnj n PRO 37 N 0.35 -0.05 -0.06 1.29 -0.02 -1.26 -1.48 135.00 133.77 2nnj n PRO 37 Ca 0.00 0.97 -0.09 0.00 -2.02 0.00 0.00 63.50 62.36 2nnj n PRO 37 Cb 0.52 -1.48 -0.05 0.00 -0.02 0.00 0.00 33.50 32.47 2nnj n PRO 37 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2nnj n ILE 38 N -4.94 0.64 0.94 4.25 2.08 -1.26 -4.71 119.36 116.36 2nnj n ILE 38 Ca 0.12 -0.22 0.11 0.00 0.56 0.00 0.00 62.75 63.31 2nnj n ILE 38 Cb 0.39 -1.09 0.31 0.00 -0.75 0.00 0.00 39.64 38.50 2nnj n ILE 38 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 2nnj n ILE 39 N -3.01 0.31 -1.31 1.39 -6.64 -1.25 -3.84 119.36 105.02 2nnj n ILE 39 Ca -0.20 -0.47 0.00 0.00 -1.77 0.00 0.00 62.75 60.30 2nnj n ILE 39 Cb 0.70 0.54 0.00 0.00 -1.44 0.00 0.00 39.64 39.43 2nnj n ILE 39 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2nnj n GLY 40 N 1.23 3.30 1.30 3.28 0.00 -0.55 -2.06 105.19 111.70 2nnj n GLY 40 Ca 0.17 -0.17 0.09 0.00 0.00 0.00 0.00 46.02 46.11 2nnj n GLY 40 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2nnj n ASN 41 N 3.41 3.80 -0.34 1.61 4.13 0.44 -1.53 115.26 126.78 2nnj n ASN 41 Ca 0.00 -2.22 0.20 0.00 1.68 0.00 0.00 54.58 54.24 2nnj n ASN 41 Cb 0.00 -0.48 0.42 0.00 -1.54 0.00 0.00 39.78 38.17 2nnj n ASN 41 CO 0.00 0.00 0.00 0.24 0.28 0.00 0.00 177.26 177.78 2nnj h MET 42 N 3.56 0.48 0.00 3.52 2.86 -1.49 0.96 114.93 124.82 2nnj h MET 42 Ca 0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2nnj h MET 42 Cb 1.09 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.64 2nnj h MET 42 CO 0.12 0.32 0.00 1.28 1.06 0.00 0.00 176.91 179.68 2nnj n LEU 43 N -4.93 0.68 0.05 1.22 4.77 -1.26 -2.93 117.00 114.60 2nnj n LEU 43 Ca 0.29 0.60 0.12 0.00 -0.03 0.00 0.00 56.01 56.99 2nnj n LEU 43 Cb 0.83 -0.43 0.13 0.00 -2.33 0.00 0.00 43.42 41.62 2nnj n LEU 43 CO 0.14 -0.32 0.26 0.00 -1.33 0.00 0.00 177.39 176.14 2nnj n GLN 44 N -2.18 0.30 -4.46 3.23 6.02 0.32 -4.91 117.38 115.70 2nnj n GLN 44 Ca 0.04 0.06 -0.32 0.00 -0.01 0.00 0.00 57.00 56.78 2nnj n GLN 44 Cb 0.34 -1.67 -0.10 0.00 1.02 0.00 0.00 30.24 29.83 2nnj n GLN 44 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 2nnj s ILE 45 N -3.18 3.66 -0.42 5.09 -5.25 -1.14 -5.02 121.20 114.95 2nnj s ILE 45 Ca 0.05 -0.76 -0.24 0.00 -0.99 0.00 0.00 60.65 58.71 2nnj s ILE 45 Cb 0.14 -2.59 0.02 0.00 2.95 0.00 0.00 42.46 42.98 2nnj s ILE 45 CO 0.74 0.40 0.82 -0.62 -1.79 0.00 0.00 174.94 174.49 2nnj s ASP 46 N -1.40 6.49 0.33 4.36 3.68 -1.26 -4.91 116.67 123.95 2nnj s ASP 46 Ca 0.17 0.13 0.24 0.00 2.13 0.00 0.00 52.55 55.22 2nnj s ASP 46 Cb -0.11 -2.41 1.18 0.00 -1.45 0.00 0.00 42.92 40.13 2nnj s ASP 46 CO 0.07 -0.88 1.74 -0.37 0.13 0.00 0.00 175.17 175.86 2nnj h VAL 47 N 5.92 0.00 0.00 1.11 -1.51 -1.96 -1.88 116.25 117.93 2nnj h VAL 47 Ca -0.24 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 2nnj h VAL 47 Cb 1.09 0.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.00 2nnj h VAL 47 CO 0.96 0.00 -0.68 0.11 -1.23 0.00 0.00 177.57 176.72 2nnj h LYS 48 N 0.00 0.00 -0.66 5.19 1.57 -1.91 -3.41 116.57 117.35 2nnj h LYS 48 Ca 0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.45 2nnj h LYS 48 Cb 0.17 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 32.26 2nnj h LYS 48 CO 0.00 0.00 -0.69 -3.47 -0.57 0.00 0.00 179.45 174.72 2nnj n ASP 49 N -2.80 -1.80 0.01 0.86 -0.08 -0.84 -3.79 116.55 108.10 2nnj n ASP 49 Ca 0.01 -3.16 0.04 0.00 -1.51 0.00 0.00 54.79 50.16 2nnj n ASP 49 Cb 0.54 1.03 0.42 0.00 2.34 0.00 0.00 41.12 45.45 2nnj n ASP 49 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2nnj h ILE 50 N 2.62 1.11 -0.39 5.18 2.04 -1.59 -2.00 117.51 124.48 2nnj h ILE 50 Ca -0.07 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 2nnj h ILE 50 Cb 0.99 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 2nnj h ILE 50 CO 0.35 0.12 0.09 0.00 0.00 0.00 0.00 178.15 178.71 2nnj h LYS 52 N 0.56 0.93 -0.50 0.00 3.64 -1.74 0.30 116.57 119.76 2nnj h LYS 52 Ca 0.13 -0.24 -0.09 0.00 -1.27 0.00 0.00 60.65 59.18 2nnj h LYS 52 Cb 0.22 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 2nnj h LYS 52 CO -0.00 0.89 -0.04 0.77 -2.27 0.00 0.00 179.45 178.80 2nnj h SER 53 N 0.83 0.90 -0.68 4.20 0.02 -1.18 -1.66 113.55 115.98 2nnj h SER 53 Ca 0.17 -0.32 -0.08 0.00 -0.84 0.00 0.00 61.79 60.72 2nnj h SER 53 Cb 0.40 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 2nnj h SER 53 CO 0.01 1.01 0.13 -0.26 -1.14 0.00 0.00 176.83 176.58 2nnj h PHE 54 N 0.77 1.18 -0.66 3.45 0.04 -0.68 -1.36 116.94 119.68 2nnj h PHE 54 Ca 0.14 -0.15 -0.06 0.00 2.80 0.00 0.00 57.97 60.69 2nnj h PHE 54 Cb 0.57 -0.33 -0.03 0.00 2.20 0.00 0.00 35.95 38.36 2nnj h PHE 54 CO 0.04 0.97 0.16 1.15 -0.60 0.00 0.00 178.31 180.04 2nnj h THR 55 N 1.05 1.25 -0.29 -1.55 2.02 -0.80 -1.09 112.91 113.51 2nnj h THR 55 Ca 0.21 -0.93 -0.10 0.00 0.77 0.00 0.00 66.41 66.36 2nnj h THR 55 Cb 0.42 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2nnj h THR 55 CO 0.01 0.36 -0.23 0.78 0.37 0.00 0.00 175.52 176.80 2nnj h ASN 56 N 1.00 0.55 0.14 4.18 2.35 -0.96 -2.79 115.58 120.04 2nnj h ASN 56 Ca 0.21 -0.19 -0.11 0.00 -0.55 0.00 0.00 56.30 55.67 2nnj h ASN 56 Cb 0.35 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 2nnj h ASN 56 CO 0.00 0.78 -0.38 -0.26 -1.65 0.00 0.00 177.43 175.93 2nnj h PHE 57 N 0.49 0.38 0.00 1.19 0.05 -0.68 -2.74 116.94 115.62 2nnj h PHE 57 Ca 0.07 -0.10 -0.04 0.00 3.82 0.00 0.00 57.97 61.73 2nnj h PHE 57 Cb 0.67 -0.09 -0.01 0.00 2.00 0.00 0.00 35.95 38.53 2nnj h PHE 57 CO 0.02 0.66 -0.17 0.66 -0.18 0.00 0.00 178.31 179.31 2nnj h SER 58 N 0.28 0.00 1.14 2.17 4.64 -0.95 0.96 113.55 121.79 2nnj h SER 58 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2nnj h SER 58 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 2nnj h SER 58 CO 0.06 0.17 0.00 0.11 -0.87 0.00 0.00 176.83 176.30 2nnj h LYS 59 N 0.00 0.00 0.00 4.77 1.57 -1.38 -1.94 116.57 119.59 2nnj h LYS 59 Ca -0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 2nnj h LYS 59 Cb 0.48 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.74 2nnj h LYS 59 CO 0.02 0.00 -2.06 0.28 -0.57 0.00 0.00 179.45 177.12 2nnj n VAL 60 N -2.34 1.05 0.96 0.50 0.31 -0.62 -4.78 118.33 113.41 2nnj n VAL 60 Ca 0.04 -0.32 0.10 0.00 -0.01 0.00 0.00 64.34 64.15 2nnj n VAL 60 Cb 0.34 -1.53 -0.07 0.00 -0.91 0.00 0.00 33.84 31.66 2nnj n VAL 60 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2nnj n TYR 61 N -3.56 0.00 0.00 3.52 4.01 0.23 -5.11 117.16 116.26 2nnj n TYR 61 Ca -0.36 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.38 2nnj n TYR 61 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.83 2nnj n TYR 61 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2nnj n GLY 62 N 1.45 -1.45 0.24 2.72 0.00 -0.73 -4.66 105.19 102.75 2nnj n GLY 62 Ca 0.06 -2.09 0.11 0.00 0.00 0.00 0.00 46.02 44.10 2nnj n GLY 62 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2nnj h PRO 63 N 1.02 0.00 -4.02 1.61 0.11 -1.81 -3.39 132.00 125.52 2nnj h PRO 63 Ca 0.00 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.62 2nnj h PRO 63 Cb 0.00 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 30.74 2nnj h PRO 63 CO 0.00 0.19 -0.79 0.08 -0.21 0.00 0.00 178.00 177.27 2nnj s VAL 64 N -3.89 0.77 0.11 3.15 1.01 -1.26 -0.31 120.40 119.98 2nnj s VAL 64 Ca -0.01 -0.13 -0.09 0.00 0.00 0.00 0.00 61.98 61.75 2nnj s VAL 64 Cb 0.12 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.65 2nnj s VAL 64 CO 0.62 0.32 0.21 0.72 0.00 0.00 0.00 175.10 176.97 2nnj s PHE 65 N 1.81 0.22 -0.11 5.22 -0.12 -0.81 -4.58 117.98 119.61 2nnj s PHE 65 Ca 0.05 -0.63 -0.01 0.00 -0.05 0.00 0.00 56.93 56.29 2nnj s PHE 65 Cb -0.12 -0.06 -0.03 0.00 -0.63 0.00 0.00 43.02 42.17 2nnj s PHE 65 CO -0.07 -0.58 -0.06 0.99 -0.05 0.00 0.00 175.22 175.45 2nnj s THR 66 N -3.89 3.74 0.09 -4.49 2.01 -0.42 0.15 115.64 112.83 2nnj s THR 66 Ca 0.08 -0.44 0.05 0.00 0.31 0.00 0.00 61.69 61.69 2nnj s THR 66 Cb 0.05 -2.58 -0.03 0.00 0.01 0.00 0.00 72.50 69.95 2nnj s THR 66 CO -0.08 0.55 -0.13 0.68 -0.69 0.00 0.00 174.62 174.95 2nnj s VAL 67 N -0.28 1.14 -0.13 3.82 -7.23 -0.41 -3.99 120.40 113.31 2nnj s VAL 67 Ca 0.04 -1.48 0.00 0.00 -1.81 0.00 0.00 61.98 58.73 2nnj s VAL 67 Cb -0.13 -1.25 -0.01 0.00 0.56 0.00 0.00 36.38 35.56 2nnj s VAL 67 CO 0.02 -0.34 -0.15 -0.31 -0.31 0.00 0.00 175.10 174.01 2nnj s TYR 68 N -1.74 2.77 -0.50 2.82 1.51 -1.26 -0.61 117.35 120.35 2nnj s TYR 68 Ca 0.02 -0.81 -0.07 0.00 -1.01 0.00 0.00 57.07 55.21 2nnj s TYR 68 Cb -0.07 -1.84 0.13 0.00 -0.11 0.00 0.00 41.96 40.07 2nnj s TYR 68 CO 0.02 -0.31 0.35 -0.06 -1.11 0.00 0.00 175.55 174.43 2nnj s PHE 69 N 0.49 3.49 0.00 2.71 2.99 -0.39 -0.42 117.98 126.85 2nnj s PHE 69 Ca -0.10 -2.15 0.00 0.00 0.00 0.00 0.00 56.93 54.67 2nnj s PHE 69 Cb -0.16 -3.40 0.00 0.00 0.00 0.00 0.00 43.02 39.46 2nnj s PHE 69 CO 0.05 -0.97 0.00 0.41 -0.00 0.00 0.00 175.22 174.71 2nnj n GLY 70 N 4.56 1.53 0.23 4.36 0.00 -1.11 -2.01 105.19 112.76 2nnj n GLY 70 Ca -0.03 -0.52 0.13 0.00 0.00 0.00 0.00 46.02 45.60 2nnj n GLY 70 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2nnj n MET 71 N 12.78 0.88 -2.93 1.61 2.81 -1.25 -3.18 117.12 127.84 2nnj n MET 71 Ca 0.00 -0.47 -0.42 0.00 -1.81 0.00 0.00 57.70 55.00 2nnj n MET 71 Cb 0.00 -1.49 -0.05 0.00 -0.71 0.00 0.00 33.22 30.97 2nnj n MET 71 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 2nnj s ASN 72 N -2.45 6.66 0.42 7.83 0.01 -0.85 -5.05 114.94 121.51 2nnj s ASN 72 Ca 0.27 0.64 -0.22 0.00 -0.71 0.00 0.00 52.86 52.83 2nnj s ASN 72 Cb 0.20 -2.41 -0.10 0.00 0.41 0.00 0.00 41.25 39.34 2nnj s ASN 72 CO 0.49 -0.65 0.99 -2.16 -1.51 0.00 0.00 177.10 174.27 2nnj s PRO 73 N 3.02 4.17 -0.04 -0.60 0.04 -1.26 -1.26 135.00 139.07 2nnj s PRO 73 Ca 0.33 1.31 -0.02 0.00 0.04 0.00 0.00 61.00 62.66 2nnj s PRO 73 Cb -0.14 -2.35 0.03 0.00 0.04 0.00 0.00 34.50 32.08 2nnj s PRO 73 CO 0.13 -0.10 0.07 0.42 0.04 0.00 0.00 177.00 177.56 2nnj s ILE 74 N -1.91 -0.12 -0.22 0.56 1.01 0.23 -3.80 121.20 116.95 2nnj s ILE 74 Ca 0.60 0.39 -0.14 0.00 0.00 0.00 0.00 60.65 61.50 2nnj s ILE 74 Cb -0.16 -0.15 -0.04 0.00 0.01 0.00 0.00 42.46 42.12 2nnj s ILE 74 CO 0.20 0.16 0.30 0.54 0.00 0.00 0.00 174.94 176.14 2nnj s VAL 75 N 1.99 5.26 -0.15 2.92 0.11 -0.70 -1.29 120.40 128.55 2nnj s VAL 75 Ca 0.02 0.49 -0.07 0.00 -2.93 0.00 0.00 61.98 59.49 2nnj s VAL 75 Cb -0.12 -3.64 -0.04 0.00 -1.53 0.00 0.00 36.38 31.05 2nnj s VAL 75 CO -0.03 0.29 0.10 -0.69 -3.33 0.00 0.00 175.10 171.43 2nnj s VAL 76 N 1.24 5.18 -0.24 2.04 1.01 0.12 -1.71 120.40 128.04 2nnj s VAL 76 Ca 0.14 0.09 -0.03 0.00 0.00 0.00 0.00 61.98 62.19 2nnj s VAL 76 Cb -0.14 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 32.96 2nnj s VAL 76 CO 0.07 0.54 -0.05 -0.36 0.00 0.00 0.00 175.10 175.30 2nnj s PHE 77 N -0.36 3.02 -0.12 5.22 0.08 0.11 -1.92 117.98 124.01 2nnj s PHE 77 Ca 0.10 -1.31 0.01 0.00 0.12 0.00 0.00 56.93 55.86 2nnj s PHE 77 Cb -0.12 -2.09 -0.01 0.00 -0.57 0.00 0.00 43.02 40.24 2nnj s PHE 77 CO 0.01 -0.66 -0.17 -1.58 -0.10 0.00 0.00 175.22 172.72 2nnj s HIS 78 N 1.39 2.72 0.00 0.36 5.65 0.58 -1.09 115.29 124.89 2nnj s HIS 78 Ca 0.02 -0.86 0.00 0.00 0.25 0.00 0.00 55.06 54.47 2nnj s HIS 78 Cb -0.16 -1.81 0.00 0.00 -1.18 0.00 0.00 32.58 29.44 2nnj s HIS 78 CO -0.04 -0.33 0.00 0.41 -0.65 0.00 0.00 174.74 174.13 2nnj n GLY 79 N 3.62 1.91 0.22 1.59 0.00 -1.26 -4.52 105.19 106.74 2nnj n GLY 79 Ca -0.19 -1.70 -0.07 0.00 0.00 0.00 0.00 46.02 44.06 2nnj n GLY 79 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2nnj h TYR 80 N 0.00 -0.41 -0.52 1.61 3.20 -1.93 -0.75 116.97 118.18 2nnj h TYR 80 Ca 0.00 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.97 2nnj h TYR 80 Cb 0.00 0.23 -0.06 0.00 1.54 0.00 0.00 36.73 38.44 2nnj h TYR 80 CO 0.00 -0.24 0.20 0.93 -1.64 0.00 0.00 178.16 177.41 2nnj h GLU 81 N -0.13 0.37 -0.26 1.82 4.39 -1.99 0.16 114.58 118.94 2nnj h GLU 81 Ca 0.15 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.73 2nnj h GLU 81 Cb 0.37 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2nnj h GLU 81 CO -0.37 0.25 -0.24 0.00 -1.16 0.00 0.00 179.01 177.49 2nnj h ALA 82 N 1.34 0.38 -0.45 3.43 0.00 -1.73 -1.88 119.26 120.35 2nnj h ALA 82 Ca 0.25 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2nnj h ALA 82 Cb 0.26 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2nnj h ALA 82 CO -0.24 0.35 0.14 0.28 0.00 0.00 0.00 179.25 179.78 2nnj h VAL 83 N 0.34 1.22 -0.03 0.00 2.07 -0.85 -2.25 116.25 116.75 2nnj h VAL 83 Ca 0.04 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 2nnj h VAL 83 Cb 0.79 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2nnj h VAL 83 CO 0.06 0.27 0.01 0.50 0.02 0.00 0.00 177.57 178.43 2nnj h LYS 84 N 0.59 0.04 -0.74 1.57 3.64 -0.72 -0.76 116.57 120.19 2nnj h LYS 84 Ca 0.14 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.58 2nnj h LYS 84 Cb 0.27 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.04 2nnj h LYS 84 CO -0.00 0.23 0.49 1.49 -2.27 0.00 0.00 179.45 179.38 2nnj h GLU 85 N -0.16 0.74 0.03 1.90 4.81 -1.30 0.47 114.58 121.07 2nnj h GLU 85 Ca 0.01 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2nnj h GLU 85 Cb 0.21 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.42 2nnj h GLU 85 CO -0.00 0.49 -0.01 0.00 -0.73 0.00 0.00 179.01 178.76 2nnj h ALA 86 N 1.60 -0.16 -0.11 2.92 0.00 -1.24 -2.32 119.26 119.95 2nnj h ALA 86 Ca 0.32 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 2nnj h ALA 86 Cb 0.28 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2nnj h ALA 86 CO -0.11 -0.15 -0.06 -0.07 0.00 0.00 0.00 179.25 178.85 2nnj h LEU 87 N -0.19 0.15 0.00 0.00 3.38 -1.18 -3.01 115.31 114.46 2nnj h LEU 87 Ca -0.00 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2nnj h LEU 87 Cb 0.03 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2nnj h LEU 87 CO 0.01 0.24 -1.08 -0.38 0.09 0.00 0.00 178.44 177.32 2nnj n ILE 88 N -4.37 1.36 0.33 1.22 5.41 0.11 -3.71 119.36 119.71 2nnj n ILE 88 Ca -0.01 0.09 0.15 0.00 1.00 0.00 0.00 62.75 63.97 2nnj n ILE 88 Cb 0.20 -2.07 0.63 0.00 -0.71 0.00 0.00 39.64 37.69 2nnj n ILE 88 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2nnj h ASP 89 N -0.74 0.00 -0.22 4.38 3.32 -1.41 -2.63 116.42 119.12 2nnj h ASP 89 Ca -0.13 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.71 2nnj h ASP 89 Cb 0.92 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.13 2nnj h ASP 89 CO -0.08 0.00 -0.94 0.59 -1.72 0.00 0.00 179.24 177.09 2nnj n ASN 90 N -2.60 1.76 -0.30 6.45 3.02 -0.88 -4.96 115.26 117.75 2nnj n ASN 90 Ca 0.01 -2.54 0.14 0.00 -0.03 0.00 0.00 54.58 52.15 2nnj n ASN 90 Cb 0.22 -0.40 0.31 0.00 -0.61 0.00 0.00 39.78 39.30 2nnj n ASN 90 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2nnj h GLY 91 N 1.61 1.45 0.86 7.41 0.00 -1.42 -1.93 103.07 111.06 2nnj h GLY 91 Ca -0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 2nnj h GLY 91 CO 0.19 -0.35 0.02 -2.09 0.00 0.00 0.00 176.54 174.30 2nnj h GLU 92 N 0.26 0.08 -0.30 4.80 4.57 -1.87 -1.81 114.58 120.31 2nnj h GLU 92 Ca 0.57 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.69 2nnj h GLU 92 Cb 1.14 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.70 2nnj h GLU 92 CO -0.62 0.21 0.02 0.93 -1.18 0.00 0.00 179.01 178.37 2nnj h GLU 93 N -0.07 0.45 -0.64 1.92 3.07 -1.80 -2.69 114.58 114.81 2nnj h GLU 93 Ca 0.02 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 2nnj h GLU 93 Cb 0.16 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 2nnj h GLU 93 CO -0.00 0.46 0.00 1.19 -1.40 0.00 0.00 179.01 179.26 2nnj n PHE 94 N -4.32 1.66 1.56 4.33 3.01 -0.77 -1.29 117.46 121.65 2nnj n PHE 94 Ca 0.01 -0.59 0.14 0.00 1.01 0.00 0.00 57.45 58.02 2nnj n PHE 94 Cb 0.21 -0.39 0.58 0.00 -0.01 0.00 0.00 39.48 39.87 2nnj n PHE 94 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2nnj n SER 95 N 0.65 1.27 -4.81 4.37 3.41 -0.70 -4.69 113.62 113.12 2nnj n SER 95 Ca 0.23 -1.41 -0.33 0.00 -0.26 0.00 0.00 58.87 57.10 2nnj n SER 95 Cb 0.99 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.92 2nnj n SER 95 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2nnj s GLY 96 N -2.01 2.29 -0.19 5.00 0.00 -0.91 -4.87 107.32 106.63 2nnj s GLY 96 Ca 0.39 0.43 -0.16 0.00 0.00 0.00 0.00 44.72 45.38 2nnj s GLY 96 CO 0.34 0.74 0.40 -1.60 0.00 0.00 0.00 173.10 172.99 2nnj s ARG 97 N -3.64 4.20 -0.30 2.90 6.06 -1.26 -0.93 118.95 125.98 2nnj s ARG 97 Ca 0.64 0.23 -0.29 0.00 -2.50 0.00 0.00 55.73 53.81 2nnj s ARG 97 Cb -0.14 -3.51 -0.00 0.00 0.06 0.00 0.00 34.95 31.35 2nnj s ARG 97 CO 0.26 0.01 1.40 0.20 -2.50 0.00 0.00 175.30 174.67 2nnj s GLY 98 N 0.94 1.29 0.37 8.12 0.00 -0.18 -4.42 107.32 113.44 2nnj s GLY 98 Ca 0.20 0.15 0.06 0.00 0.00 0.00 0.00 44.72 45.13 2nnj s GLY 98 CO 0.08 2.72 0.52 -1.31 0.00 0.00 0.00 173.10 175.11 2nnj s ASN 99 N 3.35 5.87 0.10 1.64 -0.87 -1.26 -4.74 114.94 119.03 2nnj s ASN 99 Ca 0.61 -0.19 -0.02 0.00 -1.57 0.00 0.00 52.86 51.69 2nnj s ASN 99 Cb -0.18 -1.12 -0.04 0.00 -0.02 0.00 0.00 41.25 39.90 2nnj s ASN 99 CO 0.26 -0.55 0.04 -0.94 -2.57 0.00 0.00 177.10 173.34 2nnj s SER 100 N -4.23 0.35 0.22 -1.22 1.04 -1.26 -5.04 113.70 103.57 2nnj s SER 100 Ca 0.48 -1.08 -0.07 0.00 0.48 0.00 0.00 55.95 55.76 2nnj s SER 100 Cb -0.10 0.27 0.32 0.00 0.10 0.00 0.00 66.02 66.61 2nnj s SER 100 CO 0.32 -0.69 1.79 -0.65 0.98 0.00 0.00 173.24 175.00 2nnj h PRO 101 N 2.95 0.62 -0.69 4.02 0.11 -1.95 -1.81 132.00 135.26 2nnj h PRO 101 Ca -0.34 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.66 2nnj h PRO 101 Cb 1.18 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 2nnj h PRO 101 CO 0.61 0.41 0.15 0.82 -0.21 0.00 0.00 178.00 179.78 2nnj h ILE 102 N 0.64 1.26 -0.25 4.15 2.04 -1.93 -2.09 117.51 121.34 2nnj h ILE 102 Ca 0.34 -0.99 -0.02 0.00 1.00 0.00 0.00 64.86 65.19 2nnj h ILE 102 Cb 0.32 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2nnj h ILE 102 CO -0.24 0.38 0.08 0.28 0.00 0.00 0.00 178.15 178.65 2nnj h SER 103 N 1.06 0.37 0.31 1.72 0.02 -1.83 -1.75 113.55 113.45 2nnj h SER 103 Ca 0.22 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 2nnj h SER 103 Cb 0.39 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 2nnj h SER 103 CO 0.01 0.47 -0.14 1.56 -1.14 0.00 0.00 176.83 177.59 2nnj h GLN 104 N 0.25 0.00 0.10 3.45 1.08 -1.25 -0.92 115.11 117.81 2nnj h GLN 104 Ca 0.08 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 57.02 2nnj h GLN 104 Cb 0.23 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 2nnj h GLN 104 CO -0.00 0.14 -1.23 -0.09 -0.95 0.00 0.00 178.83 176.69 2nnj h ARG 105 N 0.00 0.20 0.09 1.46 2.43 -1.06 -1.13 114.38 116.37 2nnj h ARG 105 Ca -0.00 -0.35 -0.14 0.00 -0.81 0.00 0.00 59.98 58.68 2nnj h ARG 105 Cb 0.33 0.13 0.01 0.00 -0.42 0.00 0.00 29.97 30.02 2nnj h ARG 105 CO 0.02 1.15 -0.64 0.82 -1.51 0.00 0.00 179.97 179.80 2nnj h ILE 106 N 0.06 1.53 0.00 1.20 2.04 -1.05 -3.40 117.51 117.89 2nnj h ILE 106 Ca -0.12 -2.45 -0.29 0.00 1.00 0.00 0.00 64.86 63.00 2nnj h ILE 106 Cb 1.93 3.17 -0.05 0.00 -0.74 0.00 0.00 36.82 41.13 2nnj h ILE 106 CO 0.18 0.66 -1.91 0.35 0.00 0.00 0.00 178.15 177.44 2nnj n THR 107 N -4.27 1.41 -1.23 -0.27 -2.24 -0.37 -4.98 114.28 102.33 2nnj n THR 107 Ca -0.15 -0.79 -0.08 0.00 -2.27 0.00 0.00 64.05 60.76 2nnj n THR 107 Cb 0.72 -0.76 -0.03 0.00 -2.10 0.00 0.00 70.33 68.16 2nnj n THR 107 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2nnj n LYS 108 N -2.89 -0.81 -0.82 -0.78 5.02 -0.43 -2.28 118.16 115.17 2nnj n LYS 108 Ca -0.21 0.71 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 2nnj n LYS 108 Cb 1.04 -4.62 0.00 0.00 -0.02 0.00 0.00 35.03 31.43 2nnj n LYS 108 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2nnj n GLY 109 N -1.49 0.66 3.92 0.72 0.00 -1.26 -5.05 105.19 102.70 2nnj n GLY 109 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 2nnj n GLY 109 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nnj s LEU 110 N 0.00 3.61 0.00 0.99 1.43 -0.97 -4.31 118.68 119.44 2nnj s LEU 110 Ca 0.00 0.74 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 2nnj s LEU 110 Cb 0.00 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.57 2nnj s LEU 110 CO 0.00 -0.64 0.00 0.61 0.23 0.00 0.00 176.35 176.55 2nnj n GLY 111 N -2.23 0.09 0.34 -3.19 0.00 -1.26 -4.52 105.19 94.42 2nnj n GLY 111 Ca 0.01 -1.41 -0.03 0.00 0.00 0.00 0.00 46.02 44.58 2nnj n GLY 111 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2nnj n ILE 112 N 0.00 0.19 -0.02 -0.61 3.06 -1.26 -4.50 119.36 116.21 2nnj n ILE 112 Ca 0.00 -0.06 -0.11 0.00 -2.50 0.00 0.00 62.75 60.08 2nnj n ILE 112 Cb 0.00 -0.96 -0.05 0.00 0.54 0.00 0.00 39.64 39.17 2nnj n ILE 112 CO 0.00 0.00 0.00 0.40 -2.50 0.00 0.00 176.55 174.45 2nnj h ILE 113 N -0.05 1.04 -0.50 9.51 2.04 -1.93 -3.25 117.51 124.37 2nnj h ILE 113 Ca -0.08 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.69 2nnj h ILE 113 Cb 1.10 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 2nnj h ILE 113 CO -0.03 0.04 0.00 -1.20 0.00 0.00 0.00 178.15 176.97 2nnj n SER 114 N -4.98 3.64 -4.94 1.72 7.64 -1.26 -4.93 113.62 110.50 2nnj n SER 114 Ca -0.04 -2.00 -0.24 0.00 1.01 0.00 0.00 58.87 57.60 2nnj n SER 114 Cb 0.03 -0.33 0.01 0.00 -1.01 0.00 0.00 64.21 62.91 2nnj n SER 114 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2nnj s SER 115 N -1.33 6.00 0.34 6.43 1.04 -1.23 -4.72 113.70 120.23 2nnj s SER 115 Ca 0.42 0.45 0.07 0.00 0.48 0.00 0.00 55.95 57.36 2nnj s SER 115 Cb 0.24 -1.77 -0.02 0.00 0.10 0.00 0.00 66.02 64.56 2nnj s SER 115 CO 0.32 -0.60 0.32 0.20 0.98 0.00 0.00 173.24 174.46 2nnj s ASN 116 N -4.16 1.68 0.74 7.02 0.01 -1.26 -4.64 114.94 114.32 2nnj s ASN 116 Ca 0.46 -1.75 0.00 0.00 -0.71 0.00 0.00 52.86 50.86 2nnj s ASN 116 Cb -0.10 0.59 0.00 0.00 0.41 0.00 0.00 41.25 42.15 2nnj s ASN 116 CO 0.39 -1.12 0.00 0.61 -1.51 0.00 0.00 177.10 175.47 2nnj n GLY 117 N -0.64 1.30 0.37 0.66 0.00 -1.26 -2.48 105.19 103.14 2nnj n GLY 117 Ca 0.07 -0.55 0.09 0.00 0.00 0.00 0.00 46.02 45.63 2nnj n GLY 117 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2nnj h LYS 118 N 0.00 0.84 -0.52 1.61 2.10 -1.99 -2.01 116.57 116.59 2nnj h LYS 118 Ca 0.00 -0.05 -0.04 0.00 -2.00 0.00 0.00 60.65 58.56 2nnj h LYS 118 Cb 0.00 -0.19 -0.02 0.00 -0.90 0.00 0.00 32.23 31.12 2nnj h LYS 118 CO 0.00 0.55 0.17 -0.09 -2.00 0.00 0.00 179.45 178.08 2nnj h ARG 119 N 0.86 0.81 0.42 0.07 2.43 -1.97 -2.18 114.38 114.82 2nnj h ARG 119 Ca 0.47 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.45 2nnj h ARG 119 Cb 0.57 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2nnj h ARG 119 CO -0.23 0.74 -0.20 2.35 -1.51 0.00 0.00 179.97 181.12 2nnj h TRP 120 N 0.72 -0.52 -0.70 2.20 7.01 -1.06 -1.95 115.95 121.64 2nnj h TRP 120 Ca 0.17 -0.01 0.12 0.00 2.11 0.00 0.00 58.89 61.28 2nnj h TRP 120 Cb 0.27 0.17 -0.08 0.00 -2.10 0.00 0.00 29.16 27.41 2nnj h TRP 120 CO 0.01 -0.28 0.28 0.87 -2.79 0.00 0.00 178.44 176.53 2nnj h LYS 121 N -0.64 0.44 -0.10 2.65 1.57 -1.34 -0.21 116.57 118.94 2nnj h LYS 121 Ca -0.06 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 2nnj h LYS 121 Cb 0.47 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2nnj h LYS 121 CO 0.09 0.29 -0.18 0.93 -0.57 0.00 0.00 179.45 180.01 2nnj h GLU 122 N 0.45 0.29 -0.73 3.15 5.08 -1.35 -1.81 114.58 119.67 2nnj h GLU 122 Ca 0.37 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.48 2nnj h GLU 122 Cb 0.51 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 2nnj h GLU 122 CO -0.36 0.78 0.20 0.82 -1.00 0.00 0.00 179.01 179.45 2nnj h ILE 123 N -0.15 1.26 -0.21 3.13 1.08 -1.18 -2.13 117.51 119.30 2nnj h ILE 123 Ca 0.00 -0.96 -0.06 0.00 -0.39 0.00 0.00 64.86 63.45 2nnj h ILE 123 Cb 0.77 0.49 -0.01 0.00 -3.07 0.00 0.00 36.82 35.00 2nnj h ILE 123 CO 0.04 0.37 -0.12 -0.09 -0.69 0.00 0.00 178.15 177.67 2nnj h ARG 124 N 1.10 0.46 -0.65 2.37 2.43 -1.09 0.19 114.38 119.18 2nnj h ARG 124 Ca 0.23 -0.21 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 2nnj h ARG 124 Cb 0.35 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 2nnj h ARG 124 CO -0.00 0.75 0.37 -0.09 -1.51 0.00 0.00 179.97 179.48 2nnj h ARG 125 N 0.16 0.67 -0.08 0.20 2.43 -1.25 0.17 114.38 116.68 2nnj h ARG 125 Ca 0.05 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2nnj h ARG 125 Cb 0.62 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2nnj h ARG 125 CO 0.03 0.44 -0.01 0.35 -1.51 0.00 0.00 179.97 179.27 2nnj h PHE 126 N 0.69 0.16 -0.73 2.20 3.04 -1.34 -2.86 116.94 118.10 2nnj h PHE 126 Ca 0.28 -0.03 0.08 0.00 3.98 0.00 0.00 57.97 62.28 2nnj h PHE 126 Cb 0.15 -0.04 -0.07 0.00 2.56 0.00 0.00 35.95 38.56 2nnj h PHE 126 CO -0.08 0.44 0.40 0.77 -2.02 0.00 0.00 178.31 177.82 2nnj h SER 127 N -0.17 0.56 -0.44 0.41 0.02 -0.32 -1.69 113.55 111.90 2nnj h SER 127 Ca 0.02 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 2nnj h SER 127 Cb 0.38 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 2nnj h SER 127 CO 0.01 0.34 0.15 -0.07 -1.14 0.00 0.00 176.83 176.11 2nnj h LEU 128 N 0.69 0.64 -0.65 5.07 3.38 -0.69 -1.76 115.31 121.99 2nnj h LEU 128 Ca 0.34 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.99 2nnj h LEU 128 Cb 0.29 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2nnj h LEU 128 CO -0.23 0.66 -0.30 0.71 0.09 0.00 0.00 178.44 179.38 2nnj h THR 129 N 0.58 1.28 0.00 0.22 1.35 -1.22 -2.92 112.91 112.19 2nnj h THR 129 Ca 0.14 -1.43 0.00 0.00 -0.55 0.00 0.00 66.41 64.57 2nnj h THR 129 Cb 0.25 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 2nnj h THR 129 CO -0.01 0.47 0.00 0.71 -0.25 0.00 0.00 175.52 176.44 2nnj h THR 130 N 0.62 0.00 -0.40 6.82 1.35 -1.26 -3.04 112.91 117.01 2nnj h THR 130 Ca 0.07 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 2nnj h THR 130 Cb 0.82 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 2nnj h THR 130 CO 0.07 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.52 2nnj n LEU 131 N -2.63 2.15 -4.79 3.87 4.77 -0.67 -3.91 117.00 115.79 2nnj n LEU 131 Ca 0.05 -1.07 -0.32 0.00 -0.03 0.00 0.00 56.01 54.63 2nnj n LEU 131 Cb 0.45 -0.26 0.04 0.00 -2.33 0.00 0.00 43.42 41.32 2nnj n LEU 131 CO 0.31 0.53 0.72 -0.13 -1.33 0.00 0.00 177.39 177.50 2nnj s ARG 132 N -1.47 2.88 0.30 3.23 0.52 -1.15 -4.88 118.95 118.39 2nnj s ARG 132 Ca 0.27 1.22 0.05 0.00 -0.52 0.00 0.00 55.73 56.76 2nnj s ARG 132 Cb 0.14 -1.97 0.81 0.00 0.52 0.00 0.00 34.95 34.45 2nnj s ARG 132 CO 0.19 -1.16 1.65 -0.97 0.02 0.00 0.00 175.30 175.03 2nnj h ASN 133 N -0.18 0.15 -0.26 0.23 -1.24 -1.91 -0.03 115.58 112.35 2nnj h ASN 133 Ca -0.46 0.19 -0.18 0.00 0.71 0.00 0.00 56.30 56.57 2nnj h ASN 133 Cb 1.23 0.23 -0.13 0.00 0.73 0.00 0.00 38.32 40.38 2nnj h ASN 133 CO 0.55 -0.14 -0.48 0.49 -1.29 0.00 0.00 177.43 176.55 2nnj n PHE 134 N -5.17 0.92 1.59 0.67 3.72 -1.26 -0.93 117.46 116.99 2nnj n PHE 134 Ca 0.24 -1.73 0.09 0.00 -0.05 0.00 0.00 57.45 56.00 2nnj n PHE 134 Cb 0.76 -0.34 0.41 0.00 -0.94 0.00 0.00 39.48 39.38 2nnj n PHE 134 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nnj n GLY 135 N -1.02 -0.33 2.74 1.37 0.00 -0.03 -4.16 105.19 103.76 2nnj n GLY 135 Ca 0.28 -0.26 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 2nnj n GLY 135 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2nnj n MET 136 N -0.19 1.40 0.00 1.61 -0.00 -1.25 -4.39 117.12 114.29 2nnj n MET 136 Ca 0.14 -3.16 0.00 0.00 -0.00 0.00 0.00 57.70 54.67 2nnj n MET 136 Cb 0.19 -1.23 0.00 0.00 -0.00 0.00 0.00 33.22 32.18 2nnj n MET 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2nnj n GLY 137 N -0.40 -0.57 0.21 3.17 0.00 -1.25 -4.10 105.19 102.25 2nnj n GLY 137 Ca 0.06 -2.19 -0.04 0.00 0.00 0.00 0.00 46.02 43.85 2nnj n GLY 137 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nnj h LYS 138 N 3.37 0.37 -5.71 1.61 1.57 -1.92 -3.42 116.57 112.44 2nnj h LYS 138 Ca 0.00 -0.17 -0.60 0.00 -1.87 0.00 0.00 60.65 58.01 2nnj h LYS 138 Cb 0.00 -0.01 -0.10 0.00 0.08 0.00 0.00 32.23 32.21 2nnj h LYS 138 CO 0.00 0.70 0.38 0.50 -0.57 0.00 0.00 179.45 180.46 2nnj s ARG 139 N -4.24 4.14 0.81 3.15 3.52 -1.26 -5.04 118.95 120.02 2nnj s ARG 139 Ca -0.06 0.79 -0.11 0.00 -0.13 0.00 0.00 55.73 56.23 2nnj s ARG 139 Cb 0.13 -3.66 0.08 0.00 -1.56 0.00 0.00 34.95 29.94 2nnj s ARG 139 CO 0.79 -0.51 1.09 -1.54 -0.81 0.00 0.00 175.30 174.32 2nnj s SER 140 N 1.41 4.30 0.17 -2.12 1.04 -1.26 -4.80 113.70 112.43 2nnj s SER 140 Ca 0.32 1.54 -0.07 0.00 0.48 0.00 0.00 55.95 58.23 2nnj s SER 140 Cb -0.15 -2.27 0.04 0.00 0.10 0.00 0.00 66.02 63.74 2nnj s SER 140 CO 0.08 -2.12 1.49 0.40 0.98 0.00 0.00 173.24 174.06 2nnj h ILE 141 N -1.19 1.29 -0.86 -1.02 2.04 -1.32 -3.07 117.51 113.39 2nnj h ILE 141 Ca -0.46 -1.68 0.11 0.00 1.00 0.00 0.00 64.86 63.82 2nnj h ILE 141 Cb 1.25 1.60 -0.08 0.00 -0.74 0.00 0.00 36.82 38.86 2nnj h ILE 141 CO 0.55 0.54 0.49 -0.08 0.00 0.00 0.00 178.15 179.65 2nnj h GLU 142 N 0.58 0.76 -0.38 2.37 4.81 -1.93 -0.67 114.58 120.12 2nnj h GLU 142 Ca 0.03 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 2nnj h GLU 142 Cb 1.05 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.24 2nnj h GLU 142 CO 0.10 0.50 0.04 0.22 -0.73 0.00 0.00 179.01 179.14 2nnj h ASP 143 N 0.78 0.55 -0.41 1.04 3.58 -1.92 -0.08 116.42 119.95 2nnj h ASP 143 Ca 0.43 -0.10 -0.09 0.00 0.42 0.00 0.00 57.03 57.69 2nnj h ASP 143 Cb 0.46 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 2nnj h ASP 143 CO -0.28 0.59 -0.11 0.03 -2.88 0.00 0.00 179.24 176.59 2nnj h ARG 144 N 0.56 0.80 -0.33 0.28 3.08 -1.14 -1.81 114.38 115.83 2nnj h ARG 144 Ca 0.12 -0.31 -0.12 0.00 0.07 0.00 0.00 59.98 59.75 2nnj h ARG 144 Cb 0.30 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2nnj h ARG 144 CO 0.01 0.93 -0.27 0.28 -1.07 0.00 0.00 179.97 179.85 2nnj h VAL 145 N 0.62 1.28 -0.48 2.04 2.07 -0.80 -2.14 116.25 118.84 2nnj h VAL 145 Ca 0.10 -1.38 -0.09 0.00 0.82 0.00 0.00 66.70 66.16 2nnj h VAL 145 Cb 0.64 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 2nnj h VAL 145 CO 0.04 0.45 -0.04 1.56 0.02 0.00 0.00 177.57 179.60 2nnj h GLN 146 N 0.57 0.88 -0.82 1.57 4.20 -0.93 0.14 115.11 120.72 2nnj h GLN 146 Ca 0.07 -0.30 -0.02 0.00 0.06 0.00 0.00 58.65 58.46 2nnj h GLN 146 Cb 0.76 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.43 2nnj h GLN 146 CO 0.06 0.94 0.42 1.49 -0.67 0.00 0.00 178.83 181.07 2nnj h GLU 147 N 0.73 1.16 -0.48 1.46 4.81 -1.20 -1.89 114.58 119.17 2nnj h GLU 147 Ca 0.13 -0.15 -0.13 0.00 -0.13 0.00 0.00 59.36 59.08 2nnj h GLU 147 Cb 0.57 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 2nnj h GLU 147 CO 0.03 0.87 -0.21 1.49 -0.73 0.00 0.00 179.01 180.46 2nnj h GLU 148 N 1.15 0.98 -0.49 1.92 4.57 -1.04 -1.64 114.58 120.03 2nnj h GLU 148 Ca 0.28 -0.42 0.01 0.00 -1.18 0.00 0.00 59.36 58.05 2nnj h GLU 148 Cb 0.08 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 2nnj h GLU 148 CO -0.04 1.09 0.32 0.00 -1.18 0.00 0.00 179.01 179.20 2nnj h ALA 149 N 0.89 1.66 -0.16 2.92 0.00 -0.38 -0.05 119.26 124.13 2nnj h ALA 149 Ca 0.11 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2nnj h ALA 149 Cb 0.79 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2nnj h ALA 149 CO 0.07 0.32 -0.19 1.25 0.00 0.00 0.00 179.25 180.70 2nnj h HIS 150 N 0.66 0.50 -0.15 0.00 -0.00 -0.93 -2.30 115.15 112.93 2nnj h HIS 150 Ca 0.18 -0.16 -0.05 0.00 -0.00 0.00 0.00 60.37 60.34 2nnj h HIS 150 Cb -0.07 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.22 2nnj h HIS 150 CO -0.00 0.81 -0.15 0.00 -0.00 0.00 0.00 177.93 178.59 2nnj h LEU 152 N 0.22 0.03 -1.92 0.00 5.85 -0.89 -2.09 115.31 116.51 2nnj h LEU 152 Ca 0.04 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 2nnj h LEU 152 Cb 0.40 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 2nnj h LEU 152 CO 0.02 0.33 -0.07 -0.37 -0.34 0.00 0.00 178.44 178.01 2nnj h VAL 153 N -0.26 0.97 -0.08 1.05 -1.51 -1.28 -1.74 116.25 113.39 2nnj h VAL 153 Ca 0.01 -0.25 -0.16 0.00 -1.23 0.00 0.00 66.70 65.06 2nnj h VAL 153 Cb 0.31 1.14 -0.01 0.00 -2.13 0.00 0.00 31.29 30.60 2nnj h VAL 153 CO 0.00 0.07 -0.65 -0.33 -1.23 0.00 0.00 177.57 175.43 2nnj h GLU 154 N 0.00 0.31 -0.31 5.19 4.39 -1.23 -1.97 114.58 120.96 2nnj h GLU 154 Ca -0.00 -0.23 -0.16 0.00 0.34 0.00 0.00 59.36 59.30 2nnj h GLU 154 Cb 0.13 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2nnj h GLU 154 CO 0.01 0.86 -0.46 0.93 -1.16 0.00 0.00 179.01 179.19 2nnj h GLU 155 N 0.22 0.82 -0.11 2.33 4.39 -0.66 -2.99 114.58 118.59 2nnj h GLU 155 Ca -0.01 -0.47 -0.05 0.00 0.34 0.00 0.00 59.36 59.17 2nnj h GLU 155 Cb 1.19 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 2nnj h GLU 155 CO 0.11 1.10 -0.18 -0.07 -1.16 0.00 0.00 179.01 178.80 2nnj h LEU 156 N 0.65 0.17 -1.32 1.33 3.38 -1.24 -1.98 115.31 116.31 2nnj h LEU 156 Ca 0.04 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2nnj h LEU 156 Cb 1.04 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2nnj h LEU 156 CO 0.10 0.37 -0.33 0.03 0.09 0.00 0.00 178.44 178.70 2nnj h ARG 157 N 0.16 0.00 0.00 1.13 3.08 -1.21 -2.42 114.38 115.12 2nnj h ARG 157 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2nnj h ARG 157 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2nnj h ARG 157 CO 0.03 0.33 0.00 1.63 -1.07 0.00 0.00 179.97 180.89 2nnj n LYS 158 N -3.93 0.05 0.02 0.04 5.02 -0.74 -2.10 118.16 116.52 2nnj n LYS 158 Ca -0.02 0.24 0.13 0.00 -2.02 0.00 0.00 58.31 56.64 2nnj n LYS 158 Cb 0.39 -1.59 0.53 0.00 -0.02 0.00 0.00 35.03 34.34 2nnj n LYS 158 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2nnj n THR 159 N -1.69 0.28 -3.42 -0.18 -2.24 -0.91 -4.91 114.28 101.21 2nnj n THR 159 Ca 0.04 0.01 -0.25 0.00 -2.27 0.00 0.00 64.05 61.58 2nnj n THR 159 Cb 0.22 -0.62 0.03 0.00 -2.10 0.00 0.00 70.33 67.86 2nnj n THR 159 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2nnj n LYS 160 N -1.62 -4.96 -1.25 -0.78 5.02 -0.89 -1.86 118.16 111.80 2nnj n LYS 160 Ca 0.06 0.69 -0.09 0.00 -2.02 0.00 0.00 58.31 56.96 2nnj n LYS 160 Cb 0.32 -5.54 -0.04 0.00 -0.02 0.00 0.00 35.03 29.75 2nnj n LYS 160 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2nnj n ALA 161 N -4.00 -0.13 -2.38 7.82 0.00 -1.25 -4.99 120.51 115.58 2nnj n ALA 161 Ca -0.03 0.14 -0.29 0.00 0.00 0.00 0.00 53.44 53.26 2nnj n ALA 161 Cb 0.57 -1.55 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 2nnj n ALA 161 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2nnj s SER 162 N -2.39 6.48 0.29 0.00 1.04 -0.78 -4.56 113.70 113.77 2nnj s SER 162 Ca 0.00 0.88 -0.30 0.00 0.48 0.00 0.00 55.95 57.01 2nnj s SER 162 Cb 0.00 -2.22 -0.12 0.00 0.10 0.00 0.00 66.02 63.78 2nnj s SER 162 CO 0.00 -0.27 1.53 -0.81 0.98 0.00 0.00 173.24 174.67 2nnj n PRO 163 N -1.05 2.51 -3.79 4.02 -0.04 -1.26 -4.63 135.00 130.77 2nnj n PRO 163 Ca -0.00 0.89 -0.10 0.00 -0.04 0.00 0.00 63.50 64.26 2nnj n PRO 163 Cb 0.54 -2.63 -0.06 0.00 -0.04 0.00 0.00 33.50 31.31 2nnj n PRO 163 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2nnj s ASP 165 N -2.86 6.26 0.00 0.00 3.68 -1.26 -1.18 116.67 121.31 2nnj s ASP 165 Ca 0.07 -0.39 0.22 0.00 2.13 0.00 0.00 52.55 54.57 2nnj s ASP 165 Cb 0.03 -2.26 1.24 0.00 -1.45 0.00 0.00 42.92 40.48 2nnj s ASP 165 CO -0.09 -0.61 1.71 -0.81 0.13 0.00 0.00 175.17 175.51 2nnj n PRO 166 N 5.83 0.54 -0.21 4.34 -0.04 -1.26 -4.24 135.00 139.95 2nnj n PRO 166 Ca -0.05 0.04 -0.06 0.00 -0.04 0.00 0.00 63.50 63.38 2nnj n PRO 166 Cb 0.48 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 2nnj n PRO 166 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2nnj h THR 167 N 0.00 0.13 0.11 0.52 2.02 -1.92 -0.43 112.91 113.34 2nnj h THR 167 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2nnj h THR 167 Cb 0.09 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 2nnj h THR 167 CO 0.00 0.00 -0.05 0.15 0.37 0.00 0.00 175.52 175.99 2nnj h PHE 168 N -0.18 -0.14 -0.75 3.16 3.57 -2.00 -2.15 116.94 118.45 2nnj h PHE 168 Ca 0.22 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 2nnj h PHE 168 Cb 0.56 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 2nnj h PHE 168 CO -0.68 0.11 0.40 0.82 -2.23 0.00 0.00 178.31 176.73 2nnj h ILE 169 N -0.38 1.22 0.00 1.41 2.04 -1.79 -1.82 117.51 118.19 2nnj h ILE 169 Ca -0.02 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.29 2nnj h ILE 169 Cb 0.31 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2nnj h ILE 169 CO 0.03 0.25 0.00 -0.07 0.00 0.00 0.00 178.15 178.35 2nnj h LEU 170 N 1.04 0.00 0.00 1.44 4.07 -1.06 -2.99 115.31 117.81 2nnj h LEU 170 Ca 0.26 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 58.06 2nnj h LEU 170 Cb 0.03 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.74 2nnj h LEU 170 CO -0.04 0.00 -1.47 0.61 -1.08 0.00 0.00 178.44 176.45 2nnj n GLY 171 N 0.58 -1.18 0.29 0.83 0.00 -0.74 -4.18 105.19 100.78 2nnj n GLY 171 Ca 0.03 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 2nnj n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nnj h ALA 173 N 1.07 -0.84 -0.32 0.00 0.00 -1.72 -1.28 119.26 116.17 2nnj h ALA 173 Ca 0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2nnj h ALA 173 Cb 0.62 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2nnj h ALA 173 CO 0.04 -0.88 0.17 -1.35 0.00 0.00 0.00 179.25 177.23 2nnj h PRO 174 N -1.01 0.43 -0.42 0.00 0.11 -1.75 -0.47 132.00 128.89 2nnj h PRO 174 Ca -0.09 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.91 2nnj h PRO 174 Cb 0.69 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 2nnj h PRO 174 CO 0.14 0.33 -0.04 0.00 -0.21 0.00 0.00 178.00 178.22 2nnj h ASN 176 N 0.60 0.00 -0.04 0.00 -1.24 -0.49 -1.46 115.58 112.94 2nnj h ASN 176 Ca 0.11 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.12 2nnj h ASN 176 Cb 0.55 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.60 2nnj h ASN 176 CO 0.03 0.39 0.02 0.58 -1.29 0.00 0.00 177.43 177.15 2nnj h VAL 177 N 0.00 1.14 -0.87 2.57 2.07 -0.79 -0.09 116.25 120.29 2nnj h VAL 177 Ca -0.00 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 2nnj h VAL 177 Cb 0.71 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 2nnj h VAL 177 CO 0.05 0.12 0.52 0.40 0.02 0.00 0.00 177.57 178.68 2nnj h ILE 178 N -0.09 1.24 -0.80 4.57 1.08 -1.15 -0.90 117.51 121.45 2nnj h ILE 178 Ca 0.01 -0.53 0.01 0.00 -0.39 0.00 0.00 64.86 63.97 2nnj h ILE 178 Cb 0.17 0.02 -0.04 0.00 -3.07 0.00 0.00 36.82 33.90 2nnj h ILE 178 CO -0.00 0.25 0.53 0.00 -0.69 0.00 0.00 178.15 178.24 2nnj h SER 180 N 1.09 0.00 0.86 0.00 4.64 -0.35 0.20 113.55 119.99 2nnj h SER 180 Ca 0.29 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.39 2nnj h SER 180 Cb -0.12 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 61.93 2nnj h SER 180 CO -0.06 0.02 -1.20 0.58 -0.87 0.00 0.00 176.83 175.30 2nnj h VAL 181 N 0.00 1.38 0.00 0.95 2.07 -0.42 -3.03 116.25 117.20 2nnj h VAL 181 Ca -0.00 -3.11 -0.19 0.00 0.82 0.00 0.00 66.70 64.22 2nnj h VAL 181 Cb 0.78 2.67 -0.04 0.00 -1.52 0.00 0.00 31.29 33.18 2nnj h VAL 181 CO 0.00 0.78 -1.84 1.33 0.02 0.00 0.00 177.57 177.87 2nnj n VAL 182 N -3.24 0.73 -0.13 2.57 0.24 -0.33 -1.42 118.33 116.75 2nnj n VAL 182 Ca -0.05 -0.51 0.05 0.00 -2.04 0.00 0.00 64.34 61.80 2nnj n VAL 182 Cb 0.96 -0.52 0.14 0.00 -1.47 0.00 0.00 33.84 32.96 2nnj n VAL 182 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2nnj n PHE 183 N -2.39 0.43 0.00 6.34 3.72 0.68 -3.49 117.46 122.74 2nnj n PHE 183 Ca -0.18 -0.47 0.00 0.00 -0.05 0.00 0.00 57.45 56.76 2nnj n PHE 183 Cb 0.82 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.34 2nnj n PHE 183 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2nnj n GLN 184 N 0.51 0.00 -4.25 -1.08 0.00 -1.14 -4.87 117.38 106.54 2nnj n GLN 184 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 57.00 56.77 2nnj n GLN 184 Cb 0.41 0.00 -0.09 0.00 0.00 0.00 0.00 30.24 30.57 2nnj n GLN 184 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 2nnj s LYS 185 N 0.00 3.03 0.76 2.61 -2.85 -1.26 -4.69 119.74 117.33 2nnj s LYS 185 Ca 0.00 -0.41 -0.12 0.00 -1.00 0.00 0.00 55.97 54.44 2nnj s LYS 185 Cb 0.00 -2.84 0.04 0.00 -2.06 0.00 0.00 37.83 32.98 2nnj s LYS 185 CO 0.00 0.69 1.10 -0.98 0.10 0.00 0.00 175.35 176.27 2nnj s ARG 186 N -1.14 2.43 0.27 1.78 1.70 -1.26 -4.28 118.95 118.45 2nnj s ARG 186 Ca 0.16 0.51 0.04 0.00 -0.47 0.00 0.00 55.73 55.97 2nnj s ARG 186 Cb -0.12 -1.97 -0.03 0.00 -0.57 0.00 0.00 34.95 32.27 2nnj s ARG 186 CO 0.06 -1.35 0.40 -0.06 -1.08 0.00 0.00 175.30 173.27 2nnj s PHE 187 N -3.29 3.43 0.41 5.89 0.40 -1.26 -5.01 117.98 118.55 2nnj s PHE 187 Ca 0.60 0.03 -0.20 0.00 -0.60 0.00 0.00 56.93 56.76 2nnj s PHE 187 Cb -0.13 -1.67 -0.11 0.00 0.51 0.00 0.00 43.02 41.63 2nnj s PHE 187 CO 0.53 0.34 0.91 0.34 0.70 0.00 0.00 175.22 178.03 2nnj s ASP 188 N -4.01 6.90 0.60 1.36 -1.08 -1.26 -4.94 116.67 114.24 2nnj s ASP 188 Ca 0.36 1.60 0.38 0.00 -0.52 0.00 0.00 52.55 54.37 2nnj s ASP 188 Cb -0.09 -2.50 1.84 0.00 -1.46 0.00 0.00 42.92 40.71 2nnj s ASP 188 CO 0.30 -0.33 2.17 1.88 0.52 0.00 0.00 175.17 179.71 2nnj h TYR 189 N 1.96 0.00 -0.00 -5.34 0.99 -2.00 -2.38 116.97 110.20 2nnj h TYR 189 Ca -0.49 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.24 2nnj h TYR 189 Cb 1.18 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.91 2nnj h TYR 189 CO 0.62 0.02 -0.54 1.63 -0.00 0.00 0.00 178.16 179.89 2nnj n LYS 190 N -3.16 0.15 -1.68 4.88 4.76 -1.26 -4.76 118.16 117.09 2nnj n LYS 190 Ca -0.01 -0.09 -0.45 0.00 -2.87 0.00 0.00 58.31 54.88 2nnj n LYS 190 Cb 0.20 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 31.85 2nnj n LYS 190 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2nnj n ASP 191 N -1.34 3.78 -0.25 4.39 -0.08 -0.90 -4.87 116.55 117.28 2nnj n ASP 191 Ca 0.06 0.96 -0.01 0.00 -1.51 0.00 0.00 54.79 54.29 2nnj n ASP 191 Cb 0.34 -1.46 0.18 0.00 2.34 0.00 0.00 41.12 42.52 2nnj n ASP 191 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 2nnj h GLN 192 N 9.22 1.06 -0.12 -0.67 5.75 -1.90 -1.27 115.11 127.18 2nnj h GLN 192 Ca -0.48 -0.10 -0.04 0.00 -0.15 0.00 0.00 58.65 57.88 2nnj h GLN 192 Cb 1.25 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 29.57 2nnj h GLN 192 CO 0.94 0.76 -0.09 -0.91 -2.65 0.00 0.00 178.83 176.89 2nnj h ASN 193 N 1.08 0.17 -0.04 -0.69 2.35 -1.97 -0.53 115.58 115.95 2nnj h ASN 193 Ca 0.28 -0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 55.88 2nnj h ASN 193 Cb -0.01 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.32 2nnj h ASN 193 CO -0.05 0.28 -0.46 0.15 -1.65 0.00 0.00 177.43 175.70 2nnj h PHE 194 N 0.18 0.54 0.07 1.19 3.57 -1.70 -2.66 116.94 118.14 2nnj h PHE 194 Ca 0.04 -0.27 -0.00 0.00 3.53 0.00 0.00 57.97 61.27 2nnj h PHE 194 Cb 0.27 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 2nnj h PHE 194 CO 0.00 1.05 -0.05 -0.07 -2.23 0.00 0.00 178.31 177.01 2nnj h LEU 195 N -0.12 -0.12 -0.73 0.59 4.07 -0.79 -0.77 115.31 117.43 2nnj h LEU 195 Ca -0.05 0.01 -0.12 0.00 0.08 0.00 0.00 57.88 57.80 2nnj h LEU 195 Cb 1.15 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.91 2nnj h LEU 195 CO 0.09 -0.08 -0.36 0.71 -1.08 0.00 0.00 178.44 177.73 2nnj h THR 196 N -0.12 1.29 -0.82 0.22 1.35 -1.23 -0.25 112.91 113.34 2nnj h THR 196 Ca -0.01 -1.49 -0.04 0.00 -0.55 0.00 0.00 66.41 64.33 2nnj h THR 196 Cb 0.11 1.49 -0.04 0.00 -1.73 0.00 0.00 68.15 67.97 2nnj h THR 196 CO 0.00 0.47 0.36 0.25 -0.25 0.00 0.00 175.52 176.35 2nnj h LEU 197 N 0.47 1.11 -0.30 3.87 7.12 -1.33 -1.46 115.31 124.78 2nnj h LEU 197 Ca 0.05 -0.16 -0.20 0.00 0.13 0.00 0.00 57.88 57.70 2nnj h LEU 197 Cb 0.84 -0.29 0.00 0.00 -0.53 0.00 0.00 40.66 40.69 2nnj h LEU 197 CO 0.07 0.96 -0.74 -0.03 -0.13 0.00 0.00 178.44 178.57 2nnj h MET 198 N 1.18 0.59 -0.41 1.25 4.05 -0.90 -2.98 114.93 117.71 2nnj h MET 198 Ca 0.28 -0.47 -0.09 0.00 -0.28 0.00 0.00 59.70 59.13 2nnj h MET 198 Cb 0.18 0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.06 2nnj h MET 198 CO -0.03 1.10 -0.11 -0.22 0.23 0.00 0.00 176.91 177.88 2nnj h LYS 199 N 0.41 0.74 -0.47 0.39 3.11 -0.74 -1.59 116.57 118.41 2nnj h LYS 199 Ca -0.04 -0.24 -0.06 0.00 -2.81 0.00 0.00 60.65 57.51 2nnj h LYS 199 Cb 1.34 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 32.49 2nnj h LYS 199 CO 0.14 0.82 0.07 0.00 -2.81 0.00 0.00 179.45 177.68 2nnj h ARG 200 N 0.67 0.78 -0.03 1.90 3.08 -1.27 0.77 114.38 120.28 2nnj h ARG 200 Ca 0.12 -0.21 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 2nnj h ARG 200 Cb 0.57 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 2nnj h ARG 200 CO 0.04 0.80 -0.38 0.74 -1.07 0.00 0.00 179.97 180.09 2nnj h PHE 201 N 0.65 0.07 -0.16 3.04 0.05 -1.39 -1.65 116.94 117.56 2nnj h PHE 201 Ca 0.14 -0.02 -0.09 0.00 3.82 0.00 0.00 57.97 61.83 2nnj h PHE 201 Cb 0.39 -0.02 -0.00 0.00 2.00 0.00 0.00 35.95 38.33 2nnj h PHE 201 CO 0.03 0.44 -0.24 -0.97 -0.18 0.00 0.00 178.31 177.39 2nnj h ASN 202 N 0.06 0.49 -0.31 2.17 -0.73 -0.90 -0.73 115.58 115.62 2nnj h ASN 202 Ca 0.00 -0.53 -0.00 0.00 1.87 0.00 0.00 56.30 57.65 2nnj h ASN 202 Cb 0.71 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 39.14 2nnj h ASN 202 CO 0.05 0.92 0.19 -0.33 -0.37 0.00 0.00 177.43 177.90 2nnj h GLU 203 N 0.07 0.42 -0.10 6.67 5.08 -0.64 -1.55 114.58 124.52 2nnj h GLU 203 Ca 0.01 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 2nnj h GLU 203 Cb 0.82 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 2nnj h GLU 203 CO 0.06 0.31 -0.33 -0.91 -1.00 0.00 0.00 179.01 177.13 2nnj h ASN 204 N 0.41 0.20 -0.13 1.42 4.21 -1.32 -2.48 115.58 117.89 2nnj h ASN 204 Ca 0.11 -0.07 -0.02 0.00 1.21 0.00 0.00 56.30 57.53 2nnj h ASN 204 Cb -0.01 -0.05 -0.00 0.00 -1.12 0.00 0.00 38.32 37.13 2nnj h ASN 204 CO -0.02 0.53 -0.02 0.15 -1.29 0.00 0.00 177.43 176.78 2nnj h PHE 205 N 0.17 0.26 -0.78 1.19 3.04 -0.71 -1.72 116.94 118.39 2nnj h PHE 205 Ca 0.02 -0.05 0.02 0.00 3.98 0.00 0.00 57.97 61.94 2nnj h PHE 205 Cb 0.68 -0.07 -0.04 0.00 2.56 0.00 0.00 35.95 39.08 2nnj h PHE 205 CO 0.01 0.50 0.50 0.00 -2.02 0.00 0.00 178.31 177.31 2nnj h ARG 206 N -0.06 0.97 -0.23 1.11 3.08 -1.18 -0.11 114.38 117.97 2nnj h ARG 206 Ca 0.03 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 2nnj h ARG 206 Cb 0.41 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2nnj h ARG 206 CO 0.01 0.64 0.01 0.82 -1.07 0.00 0.00 179.97 180.39 2nnj h ILE 207 N 1.00 1.24 0.00 2.04 2.04 -1.43 -2.92 117.51 119.48 2nnj h ILE 207 Ca 0.30 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.33 2nnj h ILE 207 Cb -0.04 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 2nnj h ILE 207 CO -0.09 0.26 0.00 0.18 0.00 0.00 0.00 178.15 178.50 2nnj n LEU 208 N -4.68 0.00 -0.83 1.44 4.77 -0.65 -2.32 117.00 114.73 2nnj n LEU 208 Ca -0.04 0.49 0.13 0.00 -0.03 0.00 0.00 56.01 56.56 2nnj n LEU 208 Cb 0.22 -0.49 0.24 0.00 -2.33 0.00 0.00 43.42 41.06 2nnj n LEU 208 CO 0.37 -0.19 0.71 -3.20 -1.33 0.00 0.00 177.39 173.75 2nnj n ASN 209 N -1.49 2.57 -4.77 -1.43 5.15 -0.09 -4.91 115.26 110.29 2nnj n ASN 209 Ca 0.05 -1.85 -0.38 0.00 -0.60 0.00 0.00 54.58 51.80 2nnj n ASN 209 Cb 0.21 -0.02 -0.05 0.00 -0.53 0.00 0.00 39.78 39.39 2nnj n ASN 209 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2nnj s SER 210 N -1.95 7.22 0.42 1.20 0.15 -0.98 -4.55 113.70 115.21 2nnj s SER 210 Ca 0.32 2.01 0.29 0.00 0.70 0.00 0.00 55.95 59.26 2nnj s SER 210 Cb 0.20 -2.60 1.46 0.00 -1.71 0.00 0.00 66.02 63.38 2nnj s SER 210 CO 0.31 -0.16 1.87 -0.65 1.20 0.00 0.00 173.24 175.82 2nnj h PRO 211 N 3.31 0.00 0.00 5.44 0.11 -1.88 -2.46 132.00 136.52 2nnj h PRO 211 Ca -0.47 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 2nnj h PRO 211 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2nnj h PRO 211 CO 0.65 0.00 -0.23 -1.49 -0.21 0.00 0.00 178.00 176.72 2nnj h TRP 212 N 0.00 0.00 0.00 0.65 4.06 -1.91 -2.77 115.95 115.98 2nnj h TRP 212 Ca 0.00 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.90 2nnj h TRP 212 Cb 0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.27 2nnj h TRP 212 CO 0.00 0.23 -0.23 -0.84 -3.56 0.00 0.00 178.44 174.04 2nnj h ILE 213 N 0.00 0.54 -0.27 1.49 -0.00 -1.73 -1.01 117.51 116.54 2nnj h ILE 213 Ca -0.00 -1.16 -0.07 0.00 -0.00 0.00 0.00 64.86 63.63 2nnj h ILE 213 Cb 0.52 1.80 -0.01 0.00 -0.00 0.00 0.00 36.82 39.13 2nnj h ILE 213 CO 0.03 0.22 -0.10 1.56 -0.00 0.00 0.00 178.15 179.87 2nnj h GLN 214 N 0.00 0.54 -0.27 0.16 1.08 -1.67 -0.82 115.11 114.13 2nnj h GLN 214 Ca -0.00 -0.22 -0.05 0.00 -1.45 0.00 0.00 58.65 56.92 2nnj h GLN 214 Cb 0.78 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.18 2nnj h GLN 214 CO 0.03 0.77 -0.04 0.28 -0.95 0.00 0.00 178.83 178.92 2nnj h VAL 215 N 0.29 1.27 -0.11 -0.54 2.07 -1.53 -3.03 116.25 114.67 2nnj h VAL 215 Ca 0.06 -1.02 -0.08 0.00 0.82 0.00 0.00 66.70 66.48 2nnj h VAL 215 Cb 0.59 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2nnj h VAL 215 CO 0.03 0.32 -0.29 0.00 0.02 0.00 0.00 177.57 177.66 2nnj h ASN 217 N 0.19 0.01 0.47 0.00 2.35 -1.12 -2.51 115.58 114.97 2nnj h ASN 217 Ca 0.03 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2nnj h ASN 217 Cb 0.61 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.98 2nnj h ASN 217 CO 0.04 0.56 -1.30 0.59 -1.65 0.00 0.00 177.43 175.68 2nnj n ASN 218 N -3.89 0.52 -3.42 5.81 3.02 -1.09 -4.45 115.26 111.76 2nnj n ASN 218 Ca -0.01 -0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.27 2nnj n ASN 218 Cb 0.56 1.04 -0.09 0.00 -0.61 0.00 0.00 39.78 40.68 2nnj n ASN 218 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2nnj n PHE 219 N -2.26 1.40 -0.37 3.10 3.01 0.09 -4.68 117.46 117.75 2nnj n PHE 219 Ca -0.00 -3.83 0.38 0.00 1.01 0.00 0.00 57.45 55.01 2nnj n PHE 219 Cb 0.51 -0.35 0.73 0.00 -0.01 0.00 0.00 39.48 40.36 2nnj n PHE 219 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 2nnj h PRO 220 N 4.60 0.00 -0.31 -1.08 0.11 -1.66 -1.21 132.00 132.45 2nnj h PRO 220 Ca 0.16 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.21 2nnj h PRO 220 Cb 0.80 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.89 2nnj h PRO 220 CO 0.61 0.00 -0.07 -0.07 -0.21 0.00 0.00 178.00 178.26 2nnj h LEU 221 N 0.00 0.48 -1.27 2.35 3.38 -1.95 -2.61 115.31 115.70 2nnj h LEU 221 Ca 0.62 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.48 2nnj h LEU 221 Cb 2.65 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 43.27 2nnj h LEU 221 CO -0.01 0.60 0.00 -0.07 0.09 0.00 0.00 178.44 179.05 2nnj h LEU 222 N 0.48 0.00 -1.69 1.67 4.07 -1.53 -1.93 115.31 116.37 2nnj h LEU 222 Ca 0.10 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.03 2nnj h LEU 222 Cb 0.41 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 2nnj h LEU 222 CO 0.02 0.00 -0.12 0.40 -1.08 0.00 0.00 178.44 177.66 2nnj h ILE 223 N 0.00 1.10 0.00 1.22 2.04 -1.63 -0.74 117.51 119.50 2nnj h ILE 223 Ca 0.00 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.38 2nnj h ILE 223 Cb 0.15 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2nnj h ILE 223 CO 0.00 0.14 0.00 0.44 0.00 0.00 0.00 178.15 178.73 2nnj h ASP 224 N 0.05 0.00 0.36 1.72 3.32 -1.54 -1.73 116.42 118.59 2nnj h ASP 224 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2nnj h ASP 224 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2nnj h ASP 224 CO 0.02 0.00 -0.03 0.00 -1.72 0.00 0.00 179.24 177.51 2nnj n PHE 226 N -1.09 2.69 -0.06 0.00 3.72 -0.65 -4.96 117.46 117.12 2nnj n PHE 226 Ca 0.17 -3.91 -0.07 0.00 -0.05 0.00 0.00 57.45 53.59 2nnj n PHE 226 Cb 0.22 -0.46 -0.02 0.00 -0.94 0.00 0.00 39.48 38.29 2nnj n PHE 226 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2nnj h PRO 227 N 2.98 0.02 -0.41 -1.08 0.11 -1.74 -1.05 132.00 130.83 2nnj h PRO 227 Ca 0.12 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 2nnj h PRO 227 Cb 0.68 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.76 2nnj h PRO 227 CO 0.71 0.01 0.21 0.78 -0.21 0.00 0.00 178.00 179.50 2nnj h GLY 228 N 0.02 0.62 0.89 -0.55 0.00 -1.96 -0.71 103.07 101.39 2nnj h GLY 228 Ca 0.12 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 2nnj h GLY 228 CO -0.24 0.28 0.03 -0.84 0.00 0.00 0.00 176.54 175.78 2nnj h THR 229 N 0.52 1.24 -0.26 4.70 2.02 -1.97 0.30 112.91 119.47 2nnj h THR 229 Ca 0.14 -0.85 0.04 0.00 0.77 0.00 0.00 66.41 66.51 2nnj h THR 229 Cb 0.09 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 2nnj h THR 229 CO -0.02 0.28 0.02 -0.74 0.37 0.00 0.00 175.52 175.43 2nnj h HIS 230 N 0.33 0.03 -0.58 3.16 6.17 -1.08 -1.11 115.15 122.09 2nnj h HIS 230 Ca 0.09 0.02 -0.08 0.00 0.71 0.00 0.00 60.37 61.11 2nnj h HIS 230 Cb 0.38 0.02 -0.02 0.00 2.52 0.00 0.00 27.41 30.31 2nnj h HIS 230 CO 0.03 -0.01 0.04 -0.91 0.71 0.00 0.00 177.93 177.79 2nnj h ASN 231 N 0.11 0.96 -0.03 3.26 2.35 -0.99 -2.13 115.58 119.12 2nnj h ASN 231 Ca 0.12 -0.29 0.02 0.00 -0.55 0.00 0.00 56.30 55.60 2nnj h ASN 231 Cb 0.14 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 2nnj h ASN 231 CO -0.18 1.01 -0.07 0.50 -1.65 0.00 0.00 177.43 177.04 2nnj h LYS 232 N 0.88 -0.10 -0.12 0.81 1.63 -0.55 0.31 116.57 119.43 2nnj h LYS 232 Ca 0.17 0.01 0.03 0.00 -0.85 0.00 0.00 60.65 60.00 2nnj h LYS 232 Cb 0.49 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.12 2nnj h LYS 232 CO 0.02 -0.07 -0.04 0.28 -3.45 0.00 0.00 179.45 176.20 2nnj h VAL 233 N -0.10 0.86 -0.59 2.00 2.07 -1.14 -1.59 116.25 117.76 2nnj h VAL 233 Ca 0.04 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.57 2nnj h VAL 233 Cb 0.15 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 2nnj h VAL 233 CO -0.09 0.00 0.38 0.25 0.02 0.00 0.00 177.57 178.13 2nnj h LEU 234 N -0.01 0.66 -0.06 2.57 6.46 -1.20 -1.86 115.31 121.86 2nnj h LEU 234 Ca 0.06 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.81 2nnj h LEU 234 Cb 0.10 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 39.87 2nnj h LEU 234 CO -0.13 0.47 0.04 0.50 -0.62 0.00 0.00 178.44 178.70 2nnj h LYS 235 N 0.78 0.08 -0.79 1.25 3.64 -0.65 -0.45 116.57 120.42 2nnj h LYS 235 Ca 0.22 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 2nnj h LYS 235 Cb -0.07 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 2nnj h LYS 235 CO -0.06 0.09 0.36 -0.91 -2.27 0.00 0.00 179.45 176.67 2nnj h ASN 236 N 0.05 1.05 -0.36 4.20 2.35 -1.16 -0.65 115.58 121.05 2nnj h ASN 236 Ca 0.02 -0.13 -0.09 0.00 -0.55 0.00 0.00 56.30 55.55 2nnj h ASN 236 Cb 0.03 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 2nnj h ASN 236 CO -0.00 0.90 -0.08 0.58 -1.65 0.00 0.00 177.43 177.18 2nnj h VAL 237 N 1.14 1.25 -0.15 2.81 2.07 -1.11 -0.59 116.25 121.66 2nnj h VAL 237 Ca 0.27 -1.12 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 2nnj h VAL 237 Cb 0.14 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2nnj h VAL 237 CO -0.03 0.39 -0.00 0.00 0.02 0.00 0.00 177.57 177.94 2nnj h ALA 238 N 1.19 0.21 -0.61 1.67 0.00 -0.52 -1.30 119.26 119.90 2nnj h ALA 238 Ca 0.13 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2nnj h ALA 238 Cb 0.55 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2nnj h ALA 238 CO 0.03 -0.09 0.19 -0.07 0.00 0.00 0.00 179.25 179.32 2nnj h LEU 239 N 0.02 0.89 -0.87 0.00 3.38 -1.01 -1.69 115.31 116.03 2nnj h LEU 239 Ca 0.04 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 2nnj h LEU 239 Cb 0.38 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2nnj h LEU 239 CO 0.01 0.87 -0.11 0.74 0.09 0.00 0.00 178.44 180.04 2nnj h THR 240 N 0.88 1.25 -0.18 0.22 2.02 -1.10 -1.91 112.91 114.09 2nnj h THR 240 Ca 0.20 -1.13 -0.01 0.00 0.77 0.00 0.00 66.41 66.24 2nnj h THR 240 Cb 0.29 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 2nnj h THR 240 CO -0.01 0.38 0.07 -0.09 0.37 0.00 0.00 175.52 176.25 2nnj h ARG 241 N 0.66 0.27 -0.03 6.66 2.43 -0.90 -1.57 114.38 121.90 2nnj h ARG 241 Ca 0.11 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 2nnj h ARG 241 Cb 0.56 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 2nnj h ARG 241 CO 0.03 0.33 -0.39 0.66 -1.51 0.00 0.00 179.97 179.10 2nnj h SER 242 N 0.14 0.05 -0.26 -3.80 4.64 -1.21 -1.56 113.55 111.56 2nnj h SER 242 Ca 0.06 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.30 2nnj h SER 242 Cb 0.17 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 2nnj h SER 242 CO -0.01 0.45 -0.05 0.22 -0.87 0.00 0.00 176.83 176.57 2nnj h TYR 243 N 0.05 0.55 -0.43 4.77 3.20 -1.08 -0.50 116.97 123.53 2nnj h TYR 243 Ca 0.00 -0.12 -0.06 0.00 3.14 0.00 0.00 58.73 61.70 2nnj h TYR 243 Cb 0.72 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 2nnj h TYR 243 CO 0.00 0.70 0.03 0.82 -1.64 0.00 0.00 178.16 178.07 2nnj h ILE 244 N 0.24 1.22 -0.10 1.81 2.04 -1.10 -1.70 117.51 119.93 2nnj h ILE 244 Ca 0.07 -0.87 -0.11 0.00 1.00 0.00 0.00 64.86 64.94 2nnj h ILE 244 Cb 0.52 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2nnj h ILE 244 CO 0.02 0.31 -0.44 0.03 0.00 0.00 0.00 178.15 178.07 2nnj h ARG 245 N 0.65 0.22 -0.06 2.37 3.08 -1.04 -0.85 114.38 118.76 2nnj h ARG 245 Ca 0.14 -0.11 -0.17 0.00 0.07 0.00 0.00 59.98 59.91 2nnj h ARG 245 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 2nnj h ARG 245 CO 0.01 0.63 -0.69 0.93 -1.07 0.00 0.00 179.97 179.77 2nnj h GLU 246 N 0.18 0.30 -0.25 0.04 5.08 -0.65 -2.68 114.58 116.60 2nnj h GLU 246 Ca 0.01 -0.24 -0.15 0.00 -1.00 0.00 0.00 59.36 57.98 2nnj h GLU 246 Cb 0.85 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.15 2nnj h GLU 246 CO 0.07 0.88 -0.44 -0.22 -1.00 0.00 0.00 179.01 178.30 2nnj h LYS 247 N 0.21 0.73 -0.23 2.33 1.63 -1.04 -2.99 116.57 117.21 2nnj h LYS 247 Ca -0.02 -0.46 -0.08 0.00 -0.85 0.00 0.00 60.65 59.24 2nnj h LYS 247 Cb 1.25 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.91 2nnj h LYS 247 CO 0.11 1.08 -0.22 -0.24 -3.45 0.00 0.00 179.45 176.73 2nnj h VAL 248 N 0.46 1.25 -0.33 2.00 3.04 -1.16 -2.35 116.25 119.17 2nnj h VAL 248 Ca 0.02 -1.17 -0.06 0.00 -1.01 0.00 0.00 66.70 64.48 2nnj h VAL 248 Cb 1.04 1.32 -0.02 0.00 -2.01 0.00 0.00 31.29 31.62 2nnj h VAL 248 CO 0.10 0.37 -0.05 0.11 -1.01 0.00 0.00 177.57 177.08 2nnj h LYS 249 N 0.38 0.54 -0.57 4.17 1.57 -1.46 -0.65 116.57 120.55 2nnj h LYS 249 Ca 0.06 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 2nnj h LYS 249 Cb 0.60 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 2nnj h LYS 249 CO 0.04 0.61 0.09 0.93 -0.57 0.00 0.00 179.45 180.55 2nnj h GLU 250 N 0.51 0.94 -0.58 3.15 5.08 -1.29 -2.78 114.58 119.61 2nnj h GLU 250 Ca 0.10 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 2nnj h GLU 250 Cb 0.41 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2nnj h GLU 250 CO 0.02 0.90 0.05 0.45 -1.00 0.00 0.00 179.01 179.43 2nnj h HIS 251 N 0.83 1.07 -0.68 4.33 3.86 -0.92 -2.99 115.15 120.65 2nnj h HIS 251 Ca 0.17 -0.17 0.04 0.00 -1.16 0.00 0.00 60.37 59.26 2nnj h HIS 251 Cb 0.41 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 28.56 2nnj h HIS 251 CO 0.03 0.94 0.45 1.96 0.86 0.00 0.00 177.93 182.17 2nnj h GLN 252 N 0.88 0.76 -0.68 2.45 4.20 -0.97 -0.88 115.11 120.88 2nnj h GLN 252 Ca 0.17 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2nnj h GLN 252 Cb 0.48 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2nnj h GLN 252 CO 0.02 0.51 0.00 0.00 -0.67 0.00 0.00 178.83 178.69 2nnj n ALA 253 N -2.45 3.03 -1.93 3.87 0.00 -1.06 -3.91 120.51 118.07 2nnj n ALA 253 Ca 0.09 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.61 2nnj n ALA 253 Cb 0.15 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.56 2nnj n ALA 253 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2nnj n SER 254 N 0.40 0.00 -4.71 0.00 3.41 -0.79 -5.08 113.62 106.85 2nnj n SER 254 Ca 0.14 -1.20 -0.42 0.00 -0.26 0.00 0.00 58.87 57.13 2nnj n SER 254 Cb 0.64 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.52 2nnj n SER 254 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2nnj s LEU 255 N 0.00 4.36 -0.33 1.04 2.96 -0.40 -5.01 118.68 121.30 2nnj s LEU 255 Ca 0.00 2.03 0.02 0.00 -0.22 0.00 0.00 54.13 55.96 2nnj s LEU 255 Cb 0.00 -3.58 0.09 0.00 0.50 0.00 0.00 46.19 43.20 2nnj s LEU 255 CO 0.00 -0.50 0.03 -0.62 -1.32 0.00 0.00 176.35 173.95 2nnj s ASP 256 N 1.12 4.80 0.49 3.68 3.68 -1.26 -4.99 116.67 124.19 2nnj s ASP 256 Ca 0.59 -1.83 0.23 0.00 2.13 0.00 0.00 52.55 53.67 2nnj s ASP 256 Cb -0.30 -1.66 1.29 0.00 -1.45 0.00 0.00 42.92 40.80 2nnj s ASP 256 CO 0.29 -0.35 1.95 1.62 0.13 0.00 0.00 175.17 178.81 2nnj h VAL 257 N 6.58 0.73 0.00 1.11 3.04 -1.98 -0.87 116.25 124.87 2nnj h VAL 257 Ca -0.12 -0.05 -0.06 0.00 -1.01 0.00 0.00 66.70 65.46 2nnj h VAL 257 Cb 1.04 0.57 -0.01 0.00 -2.01 0.00 0.00 31.29 30.87 2nnj h VAL 257 CO 0.54 0.03 -0.37 0.78 -1.01 0.00 0.00 177.57 177.54 2nnj h ASN 258 N 0.15 0.00 -2.81 3.17 2.35 -2.03 -3.39 115.58 113.01 2nnj h ASN 258 Ca 0.32 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.46 2nnj h ASN 258 Cb 1.06 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 39.02 2nnj h ASN 258 CO -0.05 0.30 -0.68 0.59 -1.65 0.00 0.00 177.43 175.93 2nnj n ASN 259 N -3.14 2.19 -4.73 5.81 3.02 -0.33 -5.03 115.26 113.04 2nnj n ASN 259 Ca 0.02 -3.02 -0.42 0.00 -0.03 0.00 0.00 54.58 51.13 2nnj n ASN 259 Cb 0.65 -0.70 -0.03 0.00 -0.61 0.00 0.00 39.78 39.10 2nnj n ASN 259 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 2nnj s PRO 260 N -1.19 4.28 -0.16 3.52 0.02 -1.24 -4.58 135.00 135.65 2nnj s PRO 260 Ca 0.28 2.23 0.06 0.00 0.02 0.00 0.00 61.00 63.60 2nnj s PRO 260 Cb -0.00 -3.16 -0.23 0.00 0.02 0.00 0.00 34.50 31.13 2nnj s PRO 260 CO -0.16 -0.44 0.22 0.54 -0.33 0.00 0.00 177.00 176.82 2nnj n ARG 261 N 3.07 0.68 -0.96 5.54 1.74 -1.26 -3.89 116.66 121.59 2nnj n ARG 261 Ca 0.09 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.35 2nnj n ARG 261 Cb 0.41 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 2nnj n ARG 261 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2nnj n ASP 262 N -3.14 0.00 -0.30 0.55 3.85 -1.26 -4.65 116.55 111.61 2nnj n ASP 262 Ca -0.32 -0.84 -0.03 0.00 -0.71 0.00 0.00 54.79 52.89 2nnj n ASP 262 Cb 1.06 0.00 0.09 0.00 -1.35 0.00 0.00 41.12 40.92 2nnj n ASP 262 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 2nnj h PHE 263 N 0.84 1.01 -0.65 2.11 3.57 -1.40 -2.38 116.94 120.04 2nnj h PHE 263 Ca 0.00 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.45 2nnj h PHE 263 Cb 0.00 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.38 2nnj h PHE 263 CO 0.00 0.60 0.11 0.82 -2.23 0.00 0.00 178.31 177.61 2nnj h ILE 264 N 1.06 1.26 -0.38 1.41 2.04 -1.83 -1.74 117.51 119.33 2nnj h ILE 264 Ca 0.32 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 2nnj h ILE 264 Cb -0.05 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 2nnj h ILE 264 CO -0.09 0.38 0.18 0.44 0.00 0.00 0.00 178.15 179.06 2nnj h ASP 265 N 0.99 0.50 -0.93 1.72 3.32 -1.80 -0.57 116.42 119.66 2nnj h ASP 265 Ca 0.20 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2nnj h ASP 265 Cb 0.43 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.81 2nnj h ASP 265 CO 0.01 0.49 0.59 0.00 -1.72 0.00 0.00 179.24 178.61 2nnj h PHE 267 N 1.28 0.78 -0.31 0.00 3.57 -1.07 -2.04 116.94 119.16 2nnj h PHE 267 Ca 0.34 -0.19 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 2nnj h PHE 267 Cb -0.10 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.44 2nnj h PHE 267 CO -0.00 0.89 0.10 -0.07 -2.23 0.00 0.00 178.31 177.00 2nnj h LEU 268 N 0.45 0.39 -0.26 0.59 3.38 -0.68 -0.51 115.31 118.68 2nnj h LEU 268 Ca 0.07 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 2nnj h LEU 268 Cb 0.68 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2nnj h LEU 268 CO 0.05 0.38 -0.50 0.40 0.09 0.00 0.00 178.44 178.86 2nnj h ILE 269 N 0.44 1.29 -0.28 1.22 2.04 -0.86 -2.91 117.51 118.43 2nnj h ILE 269 Ca 0.11 -1.70 -0.07 0.00 1.00 0.00 0.00 64.86 64.20 2nnj h ILE 269 Cb 0.13 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 2nnj h ILE 269 CO -0.01 0.55 -0.13 0.50 0.00 0.00 0.00 178.15 179.06 2nnj h LYS 270 N 0.57 0.47 -0.27 2.37 1.63 -0.88 -2.60 116.57 117.86 2nnj h LYS 270 Ca 0.01 -0.14 -0.06 0.00 -0.85 0.00 0.00 60.65 59.62 2nnj h LYS 270 Cb 1.11 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.67 2nnj h LYS 270 CO 0.11 0.60 -0.08 0.52 -3.45 0.00 0.00 179.45 177.16 2nnj h MET 271 N 0.44 0.44 -0.35 1.90 2.86 -1.00 -2.72 114.93 116.50 2nnj h MET 271 Ca 0.08 -0.11 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 2nnj h MET 271 Cb 0.49 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 2nnj h MET 271 CO 0.03 0.53 -0.20 1.49 1.06 0.00 0.00 176.91 179.82 2nnj h GLU 272 N 0.42 0.75 0.00 1.72 4.57 -1.28 -2.21 114.58 118.55 2nnj h GLU 272 Ca 0.08 -0.34 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 2nnj h GLU 272 Cb 0.40 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 2nnj h GLU 272 CO 0.02 0.96 0.00 1.96 -1.18 0.00 0.00 179.01 180.77 2nnj h GLN 273 N 0.53 0.00 -0.23 1.92 4.20 -1.32 -2.41 115.11 117.79 2nnj h GLN 273 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2nnj h GLN 273 Cb 0.75 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.53 2nnj h GLN 273 CO 0.06 0.00 0.00 -1.91 -0.67 0.00 0.00 178.83 176.31 2nnj n GLU 274 N -2.38 2.80 -0.18 1.46 4.07 -1.05 -4.74 120.64 120.62 2nnj n GLU 274 Ca 0.01 -2.13 0.15 0.00 -0.06 0.00 0.00 57.16 55.12 2nnj n GLU 274 Cb 0.20 -1.34 0.48 0.00 -0.06 0.00 0.00 31.44 30.71 2nnj n GLU 274 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 2nnj h LYS 275 N 1.41 0.46 -0.07 5.31 3.64 -0.87 -2.68 116.57 123.77 2nnj h LYS 275 Ca 0.00 -0.03 -0.22 0.00 -1.27 0.00 0.00 60.65 59.13 2nnj h LYS 275 Cb 0.85 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.57 2nnj h LYS 275 CO 0.04 0.30 -0.85 -0.44 -2.27 0.00 0.00 179.45 176.23 2nnj h ASP 276 N 0.47 0.73 -3.21 4.20 3.32 -1.85 -3.43 116.42 116.65 2nnj h ASP 276 Ca 0.38 -0.52 -0.56 0.00 0.02 0.00 0.00 57.03 56.35 2nnj h ASP 276 Cb 0.82 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.11 2nnj h ASP 276 CO -0.13 1.31 0.63 0.21 -1.72 0.00 0.00 179.24 179.53 2nnj s ASN 277 N -7.10 7.20 0.05 6.45 2.47 -1.01 -4.93 114.94 118.06 2nnj s ASN 277 Ca -0.08 1.52 0.25 0.00 0.42 0.00 0.00 52.86 54.97 2nnj s ASN 277 Cb 0.09 -2.55 0.51 0.00 -1.45 0.00 0.00 41.25 37.85 2nnj s ASN 277 CO 0.88 -0.51 1.43 1.67 -3.72 0.00 0.00 177.10 176.86 2nnj n GLN 278 N 5.31 0.12 -1.39 0.43 0.00 -1.26 -3.82 117.38 116.78 2nnj n GLN 278 Ca 0.10 0.04 -0.34 0.00 -0.00 0.00 0.00 57.00 56.80 2nnj n GLN 278 Cb 0.48 -1.58 0.08 0.00 0.00 0.00 0.00 30.24 29.22 2nnj n GLN 278 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 2nnj n LYS 279 N -1.76 2.77 -3.46 3.69 4.81 -1.26 -4.97 118.16 117.98 2nnj n LYS 279 Ca 0.05 -3.37 -0.37 0.00 -0.87 0.00 0.00 58.31 53.75 2nnj n LYS 279 Cb 0.38 -2.29 -0.06 0.00 0.02 0.00 0.00 35.03 33.08 2nnj n LYS 279 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2nnj s SER 280 N -1.99 6.59 0.49 3.14 0.15 -1.25 -4.97 113.70 115.87 2nnj s SER 280 Ca 0.64 0.70 0.29 0.00 0.70 0.00 0.00 55.95 58.27 2nnj s SER 280 Cb 0.50 -2.23 1.10 0.00 -1.71 0.00 0.00 66.02 63.68 2nnj s SER 280 CO -0.00 0.12 1.89 -0.33 1.20 0.00 0.00 173.24 176.11 2nnj h GLU 281 N 6.27 0.00 -5.55 5.44 4.39 -1.94 -3.39 114.58 119.80 2nnj h GLU 281 Ca -0.43 0.00 -0.65 0.00 0.34 0.00 0.00 59.36 58.62 2nnj h GLU 281 Cb 1.18 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.69 2nnj h GLU 281 CO 0.72 0.10 1.21 -0.06 -1.16 0.00 0.00 179.01 179.83 2nnj s PHE 282 N -3.63 2.85 0.25 4.33 0.08 -1.26 -4.59 117.98 116.00 2nnj s PHE 282 Ca 0.01 -1.17 0.01 0.00 0.12 0.00 0.00 56.93 55.90 2nnj s PHE 282 Cb 0.09 -4.49 -0.05 0.00 -0.57 0.00 0.00 43.02 38.00 2nnj s PHE 282 CO 0.59 -1.71 0.12 0.54 -0.10 0.00 0.00 175.22 174.66 2nnj s ASN 283 N 4.25 0.90 0.54 1.36 2.20 -1.26 -4.68 114.94 118.25 2nnj s ASN 283 Ca 0.40 -1.41 0.26 0.00 -0.94 0.00 0.00 52.86 51.18 2nnj s ASN 283 Cb -0.02 0.26 1.56 0.00 -2.00 0.00 0.00 41.25 41.05 2nnj s ASN 283 CO -0.09 -0.79 2.15 0.40 -2.94 0.00 0.00 177.10 175.84 2nnj h ILE 284 N 2.44 0.63 -0.09 0.54 2.04 -1.98 -2.39 117.51 118.70 2nnj h ILE 284 Ca -0.37 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.19 2nnj h ILE 284 Cb 1.25 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 38.50 2nnj h ILE 284 CO 0.57 0.07 -0.03 -0.08 0.00 0.00 0.00 178.15 178.67 2nnj h GLU 285 N 0.00 0.17 0.00 2.37 4.57 -1.96 -2.69 114.58 117.05 2nnj h GLU 285 Ca -0.00 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.08 2nnj h GLU 285 Cb 0.17 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.75 2nnj h GLU 285 CO 0.01 0.52 -0.15 -0.91 -1.18 0.00 0.00 179.01 177.30 2nnj h ASN 286 N -0.18 0.00 -0.15 1.04 2.35 -1.76 -2.95 115.58 113.93 2nnj h ASN 286 Ca 0.02 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.70 2nnj h ASN 286 Cb 0.46 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 2nnj h ASN 286 CO 0.01 0.15 -0.16 0.25 -1.65 0.00 0.00 177.43 176.03 2nnj h LEU 287 N 0.00 0.40 -0.42 1.61 5.85 -1.35 -0.91 115.31 120.49 2nnj h LEU 287 Ca -0.00 -0.49 -0.03 0.00 0.84 0.00 0.00 57.88 58.20 2nnj h LEU 287 Cb 0.79 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 2nnj h LEU 287 CO 0.02 0.81 0.16 0.58 -0.34 0.00 0.00 178.44 179.67 2nnj h VAL 288 N 0.01 1.20 -0.58 1.05 2.07 -1.48 -1.83 116.25 116.69 2nnj h VAL 288 Ca 0.02 -0.63 -0.06 0.00 0.82 0.00 0.00 66.70 66.85 2nnj h VAL 288 Cb 0.70 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 2nnj h VAL 288 CO 0.04 0.23 0.13 1.23 0.02 0.00 0.00 177.57 179.22 2nnj h GLY 289 N 0.54 0.97 1.10 2.17 0.00 -1.51 -1.70 103.07 104.64 2nnj h GLY 289 Ca 0.14 -0.58 -0.15 0.00 0.00 0.00 0.00 47.33 46.74 2nnj h GLY 289 CO -0.01 0.54 -0.34 -0.84 0.00 0.00 0.00 176.54 175.89 2nnj h THR 290 N 0.86 1.28 -0.13 4.70 2.02 -0.97 -0.77 112.91 119.90 2nnj h THR 290 Ca 0.19 -1.51 -0.01 0.00 0.77 0.00 0.00 66.41 65.85 2nnj h THR 290 Cb 0.33 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 2nnj h THR 290 CO 0.00 0.50 0.05 0.58 0.37 0.00 0.00 175.52 177.03 2nnj h VAL 291 N 0.73 1.15 -0.74 3.16 2.07 -1.19 -1.53 116.25 119.90 2nnj h VAL 291 Ca 0.07 -0.45 0.04 0.00 0.82 0.00 0.00 66.70 67.18 2nnj h VAL 291 Cb 0.93 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.87 2nnj h VAL 291 CO 0.09 0.14 0.45 0.00 0.02 0.00 0.00 177.57 178.27 2nnj h ALA 292 N 0.89 0.99 -0.78 1.67 0.00 -1.26 -1.86 119.26 118.91 2nnj h ALA 292 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2nnj h ALA 292 Cb 0.17 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2nnj h ALA 292 CO -0.00 0.21 0.50 -0.44 0.00 0.00 0.00 179.25 179.52 2nnj h ASP 293 N 0.86 0.90 -0.62 0.00 3.45 -0.80 0.10 116.42 120.32 2nnj h ASP 293 Ca 0.31 -0.03 -0.08 0.00 0.43 0.00 0.00 57.03 57.66 2nnj h ASP 293 Cb 0.09 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 38.60 2nnj h ASP 293 CO -0.14 0.67 0.07 -0.07 -1.57 0.00 0.00 179.24 178.20 2nnj h LEU 294 N 1.06 1.03 -0.31 1.55 3.38 -0.47 0.99 115.31 122.54 2nnj h LEU 294 Ca 0.28 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2nnj h LEU 294 Cb -0.10 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.37 2nnj h LEU 294 CO -0.06 1.04 0.02 -0.26 0.09 0.00 0.00 178.44 179.27 2nnj h PHE 295 N 0.99 0.57 0.04 1.13 -1.00 -0.95 0.11 116.94 117.82 2nnj h PHE 295 Ca 0.19 -0.09 -0.00 0.00 2.81 0.00 0.00 57.97 60.88 2nnj h PHE 295 Cb 0.47 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 39.88 2nnj h PHE 295 CO 0.03 0.64 -0.02 0.28 -1.61 0.00 0.00 178.31 177.63 2nnj h VAL 296 N 0.33 1.10 0.00 -0.55 2.07 -0.69 -1.61 116.25 116.89 2nnj h VAL 296 Ca 0.09 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 2nnj h VAL 296 Cb 0.40 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2nnj h VAL 296 CO 0.01 0.11 -0.19 0.00 0.02 0.00 0.00 177.57 177.53 2nnj h ALA 297 N 0.71 0.89 0.00 1.67 0.00 -0.85 -3.37 119.26 118.30 2nnj h ALA 297 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2nnj h ALA 297 Cb 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2nnj h ALA 297 CO 0.01 0.23 -0.70 0.41 0.00 0.00 0.00 179.25 179.21 2nnj n GLY 298 N 1.05 -0.34 0.01 0.00 0.00 0.37 -4.50 105.19 101.78 2nnj n GLY 298 Ca 0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 46.02 45.65 2nnj n GLY 298 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2nnj h THR 299 N 0.00 0.00 0.00 2.61 2.02 -1.45 -3.36 112.91 112.73 2nnj h THR 299 Ca 0.00 -0.18 -0.04 0.00 0.77 0.00 0.00 66.41 66.96 2nnj h THR 299 Cb 0.34 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 2nnj h THR 299 CO 0.00 0.00 -0.21 -0.08 0.37 0.00 0.00 175.52 175.60 2nnj h GLU 300 N -0.18 0.00 -0.13 6.66 4.57 -1.77 -1.95 114.58 121.78 2nnj h GLU 300 Ca 0.00 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 2nnj h GLU 300 Cb 0.06 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 2nnj h GLU 300 CO 0.00 0.21 -0.14 1.79 -1.18 0.00 0.00 179.01 179.69 2nnj h THR 301 N 0.00 1.35 -0.34 0.32 1.35 -1.80 -1.94 112.91 111.86 2nnj h THR 301 Ca -0.00 -1.30 -0.10 0.00 -0.55 0.00 0.00 66.41 64.46 2nnj h THR 301 Cb 0.44 1.91 -0.01 0.00 -1.73 0.00 0.00 68.15 68.76 2nnj h THR 301 CO 0.03 0.38 -0.16 0.74 -0.25 0.00 0.00 175.52 176.25 2nnj h THR 302 N -0.06 1.29 -0.55 6.82 2.02 -1.69 -2.44 112.91 118.30 2nnj h THR 302 Ca 0.02 -1.27 0.06 0.00 0.77 0.00 0.00 66.41 65.99 2nnj h THR 302 Cb 0.67 1.40 -0.06 0.00 -1.74 0.00 0.00 68.15 68.42 2nnj h THR 302 CO 0.03 0.41 0.25 -1.28 0.37 0.00 0.00 175.52 175.31 2nnj h SER 303 N 0.48 0.32 -0.58 4.18 0.87 -1.38 0.53 113.55 117.95 2nnj h SER 303 Ca 0.07 0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.62 2nnj h SER 303 Cb 0.70 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 2nnj h SER 303 CO 0.05 0.21 0.12 0.74 -0.53 0.00 0.00 176.83 177.42 2nnj h THR 304 N 0.47 1.25 -0.34 2.23 2.02 -1.28 -1.16 112.91 116.09 2nnj h THR 304 Ca 0.26 -0.93 -0.12 0.00 0.77 0.00 0.00 66.41 66.39 2nnj h THR 304 Cb 0.23 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 2nnj h THR 304 CO -0.22 0.34 -0.27 0.74 0.37 0.00 0.00 175.52 176.49 2nnj h THR 305 N 0.85 1.28 -0.63 3.16 2.02 -0.99 0.39 112.91 118.99 2nnj h THR 305 Ca 0.18 -1.38 -0.03 0.00 0.77 0.00 0.00 66.41 65.95 2nnj h THR 305 Cb 0.38 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 2nnj h THR 305 CO 0.01 0.45 0.29 -0.07 0.37 0.00 0.00 175.52 176.57 2nnj h LEU 306 N 0.61 0.83 -0.24 2.58 3.38 -0.64 0.19 115.31 122.02 2nnj h LEU 306 Ca 0.08 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2nnj h LEU 306 Cb 0.77 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2nnj h LEU 306 CO 0.06 0.74 -0.02 0.03 0.09 0.00 0.00 178.44 179.35 2nnj h ARG 307 N 0.87 0.43 -0.68 1.13 3.08 -0.92 -1.92 114.38 116.36 2nnj h ARG 307 Ca 0.22 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 2nnj h ARG 307 Cb 0.14 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 2nnj h ARG 307 CO -0.03 0.63 0.28 -0.92 -1.07 0.00 0.00 179.97 178.86 2nnj h TYR 308 N 0.20 1.04 -0.04 3.04 -0.00 -0.79 -1.71 116.97 118.70 2nnj h TYR 308 Ca 0.07 -0.08 0.02 0.00 -0.00 0.00 0.00 58.73 58.74 2nnj h TYR 308 Cb 0.44 -0.31 -0.02 0.00 -0.00 0.00 0.00 36.73 36.84 2nnj h TYR 308 CO 0.04 0.81 -0.06 0.78 -0.00 0.00 0.00 178.16 179.73 2nnj h GLY 309 N 0.97 -0.03 1.46 1.82 0.00 -0.47 -0.27 103.07 106.55 2nnj h GLY 309 Ca 0.23 0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.61 2nnj h GLY 309 CO -0.02 -0.07 0.20 1.41 0.00 0.00 0.00 176.54 178.06 2nnj h LEU 310 N -0.09 0.63 -0.36 3.11 3.38 -1.23 0.18 115.31 120.92 2nnj h LEU 310 Ca 0.04 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2nnj h LEU 310 Cb 0.14 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2nnj h LEU 310 CO -0.09 0.56 0.15 0.25 0.09 0.00 0.00 178.44 179.40 2nnj h LEU 311 N 0.69 0.50 -1.07 1.67 5.85 -0.74 0.15 115.31 122.36 2nnj h LEU 311 Ca 0.17 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 2nnj h LEU 311 Cb 0.13 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2nnj h LEU 311 CO -0.02 0.53 -0.44 -0.07 -0.34 0.00 0.00 178.44 178.10 2nnj h LEU 312 N 0.44 0.00 -0.18 2.25 3.38 -0.51 -1.11 115.31 119.59 2nnj h LEU 312 Ca 0.12 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.87 2nnj h LEU 312 Cb 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2nnj h LEU 312 CO -0.01 0.44 -0.95 -0.07 0.09 0.00 0.00 178.44 177.94 2nnj h LEU 313 N 0.00 0.44 -0.26 1.67 3.38 -0.69 -1.43 115.31 118.42 2nnj h LEU 313 Ca -0.00 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 2nnj h LEU 313 Cb 0.83 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2nnj h LEU 313 CO 0.06 1.17 0.07 0.25 0.09 0.00 0.00 178.44 180.08 2nnj h LEU 314 N 0.18 0.39 -1.08 1.67 6.46 -0.40 -3.00 115.31 119.54 2nnj h LEU 314 Ca -0.07 -0.22 -0.06 0.00 -0.12 0.00 0.00 57.88 57.40 2nnj h LEU 314 Cb 1.59 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 41.41 2nnj h LEU 314 CO 0.16 0.51 -0.28 0.50 -0.62 0.00 0.00 178.44 178.71 2nnj h LYS 315 N 0.25 0.00 -3.11 1.25 1.63 -1.21 -3.37 116.57 112.01 2nnj h LYS 315 Ca 0.08 0.00 -0.62 0.00 -0.85 0.00 0.00 60.65 59.26 2nnj h LYS 315 Cb 0.27 0.00 -0.42 0.00 -0.60 0.00 0.00 32.23 31.48 2nnj h LYS 315 CO -0.00 0.28 -0.59 -1.01 -3.45 0.00 0.00 179.45 174.68 2nnj s HIS 316 N -3.67 3.44 0.34 1.91 3.76 -0.54 -4.95 115.29 115.59 2nnj s HIS 316 Ca 0.00 -3.29 0.02 0.00 -0.15 0.00 0.00 55.06 51.64 2nnj s HIS 316 Cb 0.11 -2.67 0.61 0.00 1.11 0.00 0.00 32.58 31.73 2nnj s HIS 316 CO 0.66 -0.58 1.98 -1.35 -0.85 0.00 0.00 174.74 174.60 2nnj h PRO 317 N 5.56 0.88 -0.81 8.40 0.11 -1.73 -2.21 132.00 142.21 2nnj h PRO 317 Ca 0.12 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.14 2nnj h PRO 317 Cb 0.78 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 31.65 2nnj h PRO 317 CO 0.70 0.58 0.36 1.05 -0.21 0.00 0.00 178.00 180.49 2nnj h GLU 318 N 0.91 1.17 -0.21 1.05 9.09 -1.92 -0.85 114.58 123.82 2nnj h GLU 318 Ca 0.28 -0.19 -0.07 0.00 0.05 0.00 0.00 59.36 59.43 2nnj h GLU 318 Cb 0.00 -0.20 -0.00 0.00 -1.65 0.00 0.00 28.75 26.89 2nnj h GLU 318 CO -0.07 0.92 -0.16 0.28 0.05 0.00 0.00 179.01 180.03 2nnj h VAL 319 N 1.16 1.32 -0.89 -1.06 2.07 -1.80 -2.86 116.25 114.18 2nnj h VAL 319 Ca 0.27 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.52 2nnj h VAL 319 Cb 0.15 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 2nnj h VAL 319 CO -0.03 0.39 0.58 0.74 0.02 0.00 0.00 177.57 179.27 2nnj h THR 320 N 0.17 1.23 -0.15 2.57 2.02 -1.17 -2.47 112.91 115.12 2nnj h THR 320 Ca 0.04 -0.45 0.01 0.00 0.77 0.00 0.00 66.41 66.78 2nnj h THR 320 Cb 0.68 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 2nnj h THR 320 CO 0.04 0.23 0.06 0.00 0.37 0.00 0.00 175.52 176.22 2nnj h ALA 321 N 1.32 0.17 -0.50 6.16 0.00 -1.12 -1.09 119.26 124.19 2nnj h ALA 321 Ca 0.32 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 2nnj h ALA 321 Cb -0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2nnj h ALA 321 CO -0.07 -0.38 0.18 0.87 0.00 0.00 0.00 179.25 179.85 2nnj h LYS 322 N 0.14 0.73 -0.08 0.00 1.57 -1.30 -0.94 116.57 116.69 2nnj h LYS 322 Ca 0.06 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2nnj h LYS 322 Cb 0.03 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 2nnj h LYS 322 CO -0.05 0.62 0.01 0.28 -0.57 0.00 0.00 179.45 179.74 2nnj h VAL 323 N 0.72 1.22 0.00 0.50 2.07 -1.09 -0.76 116.25 118.91 2nnj h VAL 323 Ca 0.17 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 2nnj h VAL 323 Cb 0.18 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 2nnj h VAL 323 CO -0.01 0.19 -0.11 1.56 0.02 0.00 0.00 177.57 179.22 2nnj h GLN 324 N -0.12 0.00 -0.07 1.57 4.20 -0.89 0.60 115.11 120.39 2nnj h GLN 324 Ca 0.02 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.58 2nnj h GLN 324 Cb 0.30 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.09 2nnj h GLN 324 CO 0.00 0.11 -0.54 1.49 -0.67 0.00 0.00 178.83 179.22 2nnj h GLU 325 N 0.00 0.49 -0.74 1.46 4.81 -0.93 -1.38 114.58 118.29 2nnj h GLU 325 Ca -0.00 -0.43 -0.06 0.00 -0.13 0.00 0.00 59.36 58.74 2nnj h GLU 325 Cb 0.24 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 2nnj h GLU 325 CO 0.01 1.07 0.24 1.49 -0.73 0.00 0.00 179.01 181.09 2nnj h GLU 326 N 0.06 1.13 -0.40 1.92 4.81 -0.48 -1.64 114.58 119.98 2nnj h GLU 326 Ca -0.05 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 58.93 2nnj h GLU 326 Cb 1.20 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 2nnj h GLU 326 CO 0.11 0.96 0.20 0.82 -0.73 0.00 0.00 179.01 180.37 2nnj h ILE 327 N 1.09 1.17 -0.71 2.32 2.04 -0.85 -1.32 117.51 121.25 2nnj h ILE 327 Ca 0.24 -0.46 0.03 0.00 1.00 0.00 0.00 64.86 65.66 2nnj h ILE 327 Cb 0.29 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 2nnj h ILE 327 CO -0.01 0.18 0.45 -0.78 0.00 0.00 0.00 178.15 177.99 2nnj h ASP 328 N 0.51 0.74 -0.03 1.72 -0.00 -0.85 0.19 116.42 118.69 2nnj h ASP 328 Ca 0.14 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 57.16 2nnj h ASP 328 Cb 0.10 -0.16 -0.00 0.00 -0.00 0.00 0.00 39.33 39.27 2nnj h ASP 328 CO -0.02 0.51 -0.01 -0.74 -0.00 0.00 0.00 179.24 178.98 2nnj h HIS 329 N 0.88 0.08 0.11 0.28 2.76 -1.07 -2.53 115.15 115.64 2nnj h HIS 329 Ca 0.28 -0.02 -0.32 0.00 -2.20 0.00 0.00 60.37 58.12 2nnj h HIS 329 Cb 0.01 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 28.94 2nnj h HIS 329 CO -0.04 0.42 -1.66 0.28 -1.30 0.00 0.00 177.93 175.63 2nnj h VAL 330 N -0.29 0.99 0.00 5.26 2.07 -1.20 -3.42 116.25 119.65 2nnj h VAL 330 Ca 0.01 -2.68 -0.26 0.00 0.82 0.00 0.00 66.70 64.59 2nnj h VAL 330 Cb 0.40 2.66 -0.05 0.00 -1.52 0.00 0.00 31.29 32.78 2nnj h VAL 330 CO 0.00 0.79 -1.99 -0.38 0.02 0.00 0.00 177.57 176.01 2nnj n ILE 331 N -3.41 1.00 -2.31 4.57 5.41 0.55 -5.07 119.36 120.10 2nnj n ILE 331 Ca -0.20 -0.41 0.00 0.00 1.00 0.00 0.00 62.75 63.14 2nnj n ILE 331 Cb 1.05 -1.05 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 2nnj n ILE 331 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2nnj n GLY 332 N 2.59 -1.68 0.00 7.39 0.00 -0.57 -4.38 105.19 108.54 2nnj n GLY 332 Ca -0.30 -1.61 0.02 0.00 0.00 0.00 0.00 46.02 44.14 2nnj n GLY 332 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nnj n ARG 333 N 0.00 5.20 -0.03 1.61 1.74 -1.26 -4.65 116.66 119.27 2nnj n ARG 333 Ca 0.00 -0.02 0.08 0.00 -0.77 0.00 0.00 57.85 57.15 2nnj n ARG 333 Cb 0.00 -0.75 0.08 0.00 -1.02 0.00 0.00 32.46 30.77 2nnj n ARG 333 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2nnj n HIS 334 N -1.10 0.07 -4.58 -1.55 8.25 -1.26 -4.97 115.22 110.08 2nnj n HIS 334 Ca 0.01 -0.05 -0.22 0.00 -0.26 0.00 0.00 57.72 57.20 2nnj n HIS 334 Cb 0.08 -0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.04 2nnj n HIS 334 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2nnj s ARG 335 N -1.30 1.13 0.28 -0.41 3.52 -1.26 -5.13 118.95 115.78 2nnj s ARG 335 Ca 0.20 -0.45 -0.29 0.00 -0.13 0.00 0.00 55.73 55.06 2nnj s ARG 335 Cb 0.14 -1.07 -0.10 0.00 -1.56 0.00 0.00 34.95 32.36 2nnj s ARG 335 CO 0.20 0.24 1.16 -1.12 -0.81 0.00 0.00 175.30 174.97 2nnj s SER 336 N -0.15 7.13 0.87 -2.12 0.01 -1.26 -4.79 113.70 113.39 2nnj s SER 336 Ca 0.02 2.37 -0.11 0.00 1.31 0.00 0.00 55.95 59.54 2nnj s SER 336 Cb -0.07 -2.63 0.12 0.00 0.21 0.00 0.00 66.02 63.65 2nnj s SER 336 CO 0.00 -0.26 1.11 -2.16 0.41 0.00 0.00 173.24 172.34 2nnj s PRO 337 N -1.39 1.40 0.19 12.44 0.04 -1.26 -5.06 135.00 141.36 2nnj s PRO 337 Ca 0.47 1.26 -0.08 0.00 0.04 0.00 0.00 61.00 62.69 2nnj s PRO 337 Cb -0.34 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 2nnj s PRO 337 CO 0.43 -2.27 0.29 0.00 0.04 0.00 0.00 177.00 175.49 2nnj h MET 339 N 2.50 0.00 -0.39 0.00 2.86 -1.97 -2.25 114.93 115.68 2nnj h MET 339 Ca -0.31 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.29 2nnj h MET 339 Cb 1.24 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.88 2nnj h MET 339 CO 0.46 0.08 0.07 0.37 1.06 0.00 0.00 176.91 178.96 2nnj h GLN 340 N 0.00 0.58 0.00 1.72 4.15 -2.02 -2.57 115.11 116.96 2nnj h GLN 340 Ca -0.00 -0.10 -0.02 0.00 0.77 0.00 0.00 58.65 59.30 2nnj h GLN 340 Cb 0.22 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 27.81 2nnj h GLN 340 CO 0.01 0.55 -0.09 -0.44 -1.93 0.00 0.00 178.83 176.93 2nnj h ASP 341 N 0.56 0.00 -0.29 -0.69 3.32 -1.82 -2.94 116.42 114.55 2nnj h ASP 341 Ca 0.13 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.22 2nnj h ASP 341 Cb 0.25 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 2nnj h ASP 341 CO -0.00 0.09 0.20 -0.09 -1.72 0.00 0.00 179.24 177.72 2nnj h ARG 342 N 0.00 0.21 0.00 3.56 2.43 -1.58 -0.44 114.38 118.56 2nnj h ARG 342 Ca -0.00 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 2nnj h ARG 342 Cb 0.17 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2nnj h ARG 342 CO 0.01 0.14 -0.13 1.03 -1.51 0.00 0.00 179.97 179.51 2nnj h SER 343 N 0.21 0.00 -0.43 -3.80 0.87 -1.68 -2.53 113.55 106.19 2nnj h SER 343 Ca 0.13 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2nnj h SER 343 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2nnj h SER 343 CO -0.02 0.13 0.00 1.41 -0.53 0.00 0.00 176.83 177.82 2nnj n HIS 344 N -3.47 0.57 -3.30 2.24 8.25 -0.21 -4.66 115.22 114.64 2nnj n HIS 344 Ca -0.01 -0.39 -0.26 0.00 -0.26 0.00 0.00 57.72 56.80 2nnj n HIS 344 Cb 0.29 -0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.32 2nnj n HIS 344 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2nnj n MET 345 N 1.07 2.25 -0.12 -0.41 2.81 -0.95 -4.94 117.12 116.83 2nnj n MET 345 Ca 0.16 -4.39 0.06 0.00 -1.81 0.00 0.00 57.70 51.72 2nnj n MET 345 Cb 0.51 -2.04 0.38 0.00 -0.71 0.00 0.00 33.22 31.36 2nnj n MET 345 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2nnj h PRO 346 N 3.92 0.66 -0.21 0.03 0.13 -1.83 -1.96 132.00 132.74 2nnj h PRO 346 Ca 0.16 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 65.20 2nnj h PRO 346 Cb 0.69 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 2nnj h PRO 346 CO 0.75 0.44 -0.08 -0.92 -0.23 0.00 0.00 178.00 177.96 2nnj h TYR 347 N 0.68 0.49 -0.65 1.56 3.20 -1.92 -0.75 116.97 119.58 2nnj h TYR 347 Ca 0.25 -0.11 -0.05 0.00 3.14 0.00 0.00 58.73 61.95 2nnj h TYR 347 Cb 0.14 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 2nnj h TYR 347 CO -0.00 0.70 0.18 1.15 -1.64 0.00 0.00 178.16 178.55 2nnj h THR 348 N 0.14 1.24 -0.52 1.81 2.02 -1.88 0.17 112.91 115.89 2nnj h THR 348 Ca 0.05 -0.86 -0.03 0.00 0.77 0.00 0.00 66.41 66.34 2nnj h THR 348 Cb 0.56 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 2nnj h THR 348 CO 0.03 0.33 0.20 -0.78 0.37 0.00 0.00 175.52 175.67 2nnj h ASP 349 N 0.96 0.73 -0.81 4.18 3.58 -1.27 0.46 116.42 124.24 2nnj h ASP 349 Ca 0.21 -0.18 -0.02 0.00 0.42 0.00 0.00 57.03 57.46 2nnj h ASP 349 Cb 0.30 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 41.12 2nnj h ASP 349 CO -0.01 0.71 0.41 0.00 -2.88 0.00 0.00 179.24 177.48 2nnj h ALA 350 N 1.05 1.18 -0.22 -0.78 0.00 -0.56 -1.01 119.26 118.92 2nnj h ALA 350 Ca 0.17 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2nnj h ALA 350 Cb 0.22 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2nnj h ALA 350 CO -0.01 0.63 0.03 0.28 0.00 0.00 0.00 179.25 180.18 2nnj h VAL 351 N 1.16 1.23 -0.69 0.00 2.07 -0.33 0.09 116.25 119.78 2nnj h VAL 351 Ca 0.28 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 2nnj h VAL 351 Cb 0.08 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 2nnj h VAL 351 CO -0.04 0.24 0.33 0.58 0.02 0.00 0.00 177.57 178.70 2nnj h VAL 352 N 0.17 1.23 -0.64 2.57 2.07 -0.71 0.57 116.25 121.50 2nnj h VAL 352 Ca 0.07 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.88 2nnj h VAL 352 Cb 0.33 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2nnj h VAL 352 CO 0.00 0.27 0.19 0.45 0.02 0.00 0.00 177.57 178.51 2nnj h HIS 353 N 0.96 1.04 0.00 1.57 3.86 -1.05 -2.33 115.15 119.20 2nnj h HIS 353 Ca 0.24 -0.11 -0.09 0.00 -1.16 0.00 0.00 60.37 59.25 2nnj h HIS 353 Cb 0.12 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.28 2nnj h HIS 353 CO 0.01 0.85 -0.43 1.49 0.86 0.00 0.00 177.93 180.71 2nnj h GLU 354 N 0.93 0.00 -0.42 2.45 4.57 -0.57 -0.60 114.58 120.93 2nnj h GLU 354 Ca 0.21 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.29 2nnj h GLU 354 Cb 0.30 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 2nnj h GLU 354 CO -0.01 0.43 -0.11 0.82 -1.18 0.00 0.00 179.01 178.96 2nnj h ILE 355 N 0.00 1.27 -0.27 2.32 2.04 -0.50 -1.04 117.51 121.33 2nnj h ILE 355 Ca -0.00 -1.22 -0.17 0.00 1.00 0.00 0.00 64.86 64.46 2nnj h ILE 355 Cb 0.77 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 38.03 2nnj h ILE 355 CO 0.06 0.41 -0.51 1.56 0.00 0.00 0.00 178.15 179.67 2nnj h GLN 356 N 0.65 0.77 -0.20 2.37 4.20 -1.09 -0.49 115.11 121.31 2nnj h GLN 356 Ca 0.11 -0.46 -0.04 0.00 0.06 0.00 0.00 58.65 58.31 2nnj h GLN 356 Cb 0.65 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 2nnj h GLN 356 CO 0.04 1.09 -0.04 -0.09 -0.67 0.00 0.00 178.83 179.16 2nnj h ARG 357 N 0.60 0.38 -0.10 1.46 2.43 -1.07 -2.60 114.38 115.48 2nnj h ARG 357 Ca 0.02 -0.14 -0.04 0.00 -0.81 0.00 0.00 59.98 59.01 2nnj h ARG 357 Cb 1.09 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.61 2nnj h ARG 357 CO 0.11 0.63 -0.09 -0.92 -1.51 0.00 0.00 179.97 178.19 2nnj h TYR 358 N 0.11 0.28 -0.04 2.20 3.20 -1.22 -3.23 116.97 118.26 2nnj h TYR 358 Ca 0.05 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 2nnj h TYR 358 Cb 0.48 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 2nnj h TYR 358 CO 0.05 0.65 -0.04 0.66 -1.64 0.00 0.00 178.16 177.83 2nnj h SER 359 N -0.16 0.05 -6.77 -2.11 4.64 -1.15 -3.47 113.55 104.58 2nnj h SER 359 Ca 0.02 -0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.79 2nnj h SER 359 Cb 0.59 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2nnj h SER 359 CO 0.02 0.10 -1.00 -0.67 -0.87 0.00 0.00 176.83 174.41 2nnj n ASP 360 N -4.46 -4.55 -0.12 4.97 2.03 -0.98 -4.88 116.55 108.57 2nnj n ASP 360 Ca -0.02 -1.17 -0.05 0.00 0.52 0.00 0.00 54.79 54.07 2nnj n ASP 360 Cb 0.14 -1.99 0.01 0.00 -0.72 0.00 0.00 41.12 38.57 2nnj n ASP 360 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2nnj h LEU 361 N -1.98 -0.43 -7.09 -2.67 5.85 -1.86 -3.31 115.31 103.81 2nnj h LEU 361 Ca -0.68 0.13 -0.62 0.00 0.84 0.00 0.00 57.88 57.55 2nnj h LEU 361 Cb 1.39 0.27 -0.42 0.00 0.37 0.00 0.00 40.66 42.27 2nnj h LEU 361 CO 0.48 -0.15 -0.57 -0.69 -0.34 0.00 0.00 178.44 177.16 2nnj s VAL 362 N -6.21 2.90 0.39 1.05 1.01 -1.26 -1.16 120.40 117.12 2nnj s VAL 362 Ca -0.14 -4.26 0.07 0.00 0.00 0.00 0.00 61.98 57.65 2nnj s VAL 362 Cb 0.15 -2.91 0.29 0.00 0.00 0.00 0.00 36.38 33.90 2nnj s VAL 362 CO 0.71 -1.00 2.00 -0.65 0.00 0.00 0.00 175.10 176.16 2nnj h PRO 363 N 5.42 0.63 0.00 2.72 0.11 -1.81 -2.02 132.00 137.06 2nnj h PRO 363 Ca 0.14 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2nnj h PRO 363 Cb 0.76 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.72 2nnj h PRO 363 CO 0.72 0.42 -0.65 0.25 -0.21 0.00 0.00 178.00 178.52 2nnj n THR 364 N -4.47 0.04 -0.98 -1.15 -2.24 -1.26 -1.81 114.28 102.41 2nnj n THR 364 Ca 0.07 -0.05 0.04 0.00 -2.27 0.00 0.00 64.05 61.85 2nnj n THR 364 Cb 0.17 0.34 -0.01 0.00 -2.10 0.00 0.00 70.33 68.73 2nnj n THR 364 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nnj n GLY 365 N 1.47 -2.13 3.78 3.38 0.00 -0.76 -4.02 105.19 106.92 2nnj n GLY 365 Ca 0.05 -1.43 -0.36 0.00 0.00 0.00 0.00 46.02 44.27 2nnj n GLY 365 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nnj s VAL 366 N -1.08 5.34 0.26 1.61 1.01 -1.26 -4.99 120.40 121.29 2nnj s VAL 366 Ca 0.00 0.43 -0.31 0.00 0.00 0.00 0.00 61.98 62.10 2nnj s VAL 366 Cb 0.00 -3.55 -0.13 0.00 0.00 0.00 0.00 36.38 32.70 2nnj s VAL 366 CO 0.00 0.49 1.34 -0.81 0.00 0.00 0.00 175.10 176.12 2nnj n PRO 367 N 2.89 1.94 -3.40 2.72 -0.04 -1.26 -4.84 135.00 133.01 2nnj n PRO 367 Ca -0.15 0.69 -0.21 0.00 -0.04 0.00 0.00 63.50 63.78 2nnj n PRO 367 Cb 0.53 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 2nnj n PRO 367 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2nnj n HIS 368 N 1.47 -0.81 -3.65 0.54 8.25 -0.14 -1.01 115.22 119.86 2nnj n HIS 368 Ca 0.10 -1.92 -0.09 0.00 -0.26 0.00 0.00 57.72 55.55 2nnj n HIS 368 Cb 0.32 -0.37 -0.08 0.00 1.12 0.00 0.00 29.99 30.97 2nnj n HIS 368 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2nnj s ALA 369 N -2.65 -1.65 0.29 -1.41 0.00 -0.11 -0.48 121.76 115.75 2nnj s ALA 369 Ca 0.27 2.12 -0.29 0.00 0.00 0.00 0.00 51.96 54.05 2nnj s ALA 369 Cb -0.02 -1.25 -0.10 0.00 0.00 0.00 0.00 23.12 21.75 2nnj s ALA 369 CO 0.17 -0.34 1.26 0.14 0.00 0.00 0.00 175.76 176.99 2nnj s VAL 370 N 1.33 2.99 -0.27 0.00 -7.23 -1.00 -2.15 120.40 114.08 2nnj s VAL 370 Ca -0.08 0.95 0.28 0.00 -1.81 0.00 0.00 61.98 61.32 2nnj s VAL 370 Cb -0.06 -3.60 0.35 0.00 0.56 0.00 0.00 36.38 33.62 2nnj s VAL 370 CO -0.14 0.21 1.79 0.71 -0.31 0.00 0.00 175.10 177.35 2nnj h THR 371 N 3.21 0.00 -3.14 5.32 1.35 -1.47 -0.23 112.91 117.94 2nnj h THR 371 Ca -0.47 -0.67 -0.05 0.00 -0.55 0.00 0.00 66.41 64.67 2nnj h THR 371 Cb 1.22 1.64 -0.01 0.00 -1.73 0.00 0.00 68.15 69.27 2nnj h THR 371 CO 0.69 0.00 0.21 0.28 -0.25 0.00 0.00 175.52 176.45 2nnj s THR 372 N -3.39 0.00 -0.04 6.82 -1.32 -1.26 -4.75 115.64 111.70 2nnj s THR 372 Ca 0.05 -1.08 -0.30 0.00 -1.21 0.00 0.00 61.69 59.16 2nnj s THR 372 Cb 0.08 -2.81 -0.07 0.00 -1.51 0.00 0.00 72.50 68.19 2nnj s THR 372 CO 0.58 0.00 1.93 -1.81 -2.21 0.00 0.00 174.62 173.11 2nnj s ASP 373 N -3.08 6.31 -0.08 8.08 1.11 -1.26 -3.76 116.67 123.98 2nnj s ASP 373 Ca 0.17 2.39 0.03 0.00 0.18 0.00 0.00 52.55 55.32 2nnj s ASP 373 Cb -0.05 -2.53 -0.02 0.00 1.07 0.00 0.00 42.92 41.40 2nnj s ASP 373 CO 0.12 -1.20 -0.17 -0.89 1.18 0.00 0.00 175.17 174.21 2nnj s THR 374 N 5.10 2.75 -0.24 -1.27 2.01 0.16 -4.93 115.64 119.22 2nnj s THR 374 Ca 0.87 -0.80 -0.15 0.00 0.31 0.00 0.00 61.69 61.91 2nnj s THR 374 Cb -0.38 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.00 2nnj s THR 374 CO 0.38 0.56 0.39 -0.75 -0.69 0.00 0.00 174.62 174.50 2nnj s LYS 375 N -0.13 4.09 -0.22 4.92 2.47 -1.26 -0.14 119.74 129.47 2nnj s LYS 375 Ca -0.02 0.12 -0.00 0.00 -1.56 0.00 0.00 55.97 54.51 2nnj s LYS 375 Cb -0.14 -3.60 0.06 0.00 -1.46 0.00 0.00 37.83 32.69 2nnj s LYS 375 CO 0.04 -0.18 -0.04 0.12 0.16 0.00 0.00 175.35 175.45 2nnj s PHE 376 N 1.75 2.04 0.00 4.03 5.36 -0.39 -4.99 117.98 125.78 2nnj s PHE 376 Ca 0.17 -1.50 0.00 0.00 -0.96 0.00 0.00 56.93 54.64 2nnj s PHE 376 Cb -0.15 -1.44 0.00 0.00 -0.34 0.00 0.00 43.02 41.09 2nnj s PHE 376 CO 0.09 -0.72 0.00 0.54 -1.46 0.00 0.00 175.22 173.66 2nnj n ARG 377 N 4.77 0.00 -0.89 10.12 1.74 -1.26 -0.71 116.66 130.43 2nnj n ARG 377 Ca -0.11 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 56.98 2nnj n ARG 377 Cb 0.45 0.00 0.34 0.00 -1.02 0.00 0.00 32.46 32.23 2nnj n ARG 377 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2nnj n ASN 378 N 6.45 5.15 -4.52 0.55 0.23 -1.26 -4.95 115.26 116.90 2nnj n ASN 378 Ca 0.00 -2.98 -0.25 0.00 -0.53 0.00 0.00 54.58 50.83 2nnj n ASN 378 Cb 0.00 -0.70 -0.10 0.00 -2.08 0.00 0.00 39.78 36.90 2nnj n ASN 378 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 2nnj s TYR 379 N -2.72 2.38 -0.10 -2.53 1.51 0.11 -5.03 117.35 110.97 2nnj s TYR 379 Ca 0.51 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 56.20 2nnj s TYR 379 Cb 0.40 -1.18 0.02 0.00 -0.11 0.00 0.00 41.96 41.09 2nnj s TYR 379 CO 0.14 0.65 -0.13 -1.17 -1.11 0.00 0.00 175.55 173.93 2nnj s LEU 380 N -3.57 1.59 -0.28 -1.29 2.96 -0.33 -1.27 118.68 116.49 2nnj s LEU 380 Ca 0.31 -0.36 -0.03 0.00 -0.22 0.00 0.00 54.13 53.83 2nnj s LEU 380 Cb -0.02 -0.96 0.03 0.00 0.50 0.00 0.00 46.19 45.74 2nnj s LEU 380 CO 0.16 -0.01 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.54 2nnj s ILE 381 N 1.05 3.11 0.68 6.68 1.01 0.81 -3.55 121.20 130.99 2nnj s ILE 381 Ca -0.06 -1.13 -0.16 0.00 0.00 0.00 0.00 60.65 59.29 2nnj s ILE 381 Cb -0.15 -2.68 0.01 0.00 0.01 0.00 0.00 42.46 39.65 2nnj s ILE 381 CO -0.02 0.04 1.20 -2.16 0.00 0.00 0.00 174.94 174.01 2nnj s PRO 382 N 1.32 2.47 0.20 2.79 0.04 -1.26 -0.67 135.00 139.89 2nnj s PRO 382 Ca -0.02 1.77 -0.32 0.00 0.04 0.00 0.00 61.00 62.47 2nnj s PRO 382 Cb -0.18 -1.87 -0.15 0.00 0.04 0.00 0.00 34.50 32.34 2nnj s PRO 382 CO -0.02 -1.58 1.30 1.17 0.04 0.00 0.00 177.00 177.91 2nnj n LYS 383 N -2.31 1.61 -0.32 4.56 4.81 -1.25 -2.36 118.16 122.90 2nnj n LYS 383 Ca 0.13 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 2nnj n LYS 383 Cb 0.50 -2.16 0.00 0.00 0.02 0.00 0.00 35.03 33.39 2nnj n LYS 383 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2nnj n GLY 384 N 2.15 1.55 3.77 3.14 0.00 -0.10 -4.96 105.19 110.74 2nnj n GLY 384 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2nnj n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nnj s THR 385 N -3.03 2.53 0.15 2.61 2.01 -0.99 -4.74 115.64 114.19 2nnj s THR 385 Ca 0.00 0.52 -0.30 0.00 0.31 0.00 0.00 61.69 62.22 2nnj s THR 385 Cb 0.00 -3.33 -0.07 0.00 0.01 0.00 0.00 72.50 69.11 2nnj s THR 385 CO 0.00 0.12 1.15 -0.89 -0.69 0.00 0.00 174.62 174.31 2nnj s THR 386 N -0.91 3.81 -0.06 -0.82 2.01 -1.25 -2.36 115.64 116.06 2nnj s THR 386 Ca 0.52 1.48 0.02 0.00 0.31 0.00 0.00 61.69 64.02 2nnj s THR 386 Cb -0.42 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 2nnj s THR 386 CO 0.54 0.22 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.94 2nnj s ILE 387 N 0.11 3.33 -0.25 1.82 -1.09 0.37 -1.72 121.20 123.77 2nnj s ILE 387 Ca 0.53 -0.62 -0.01 0.00 -2.23 0.00 0.00 60.65 58.31 2nnj s ILE 387 Cb -0.30 -2.33 0.08 0.00 -1.58 0.00 0.00 42.46 38.32 2nnj s ILE 387 CO 0.34 0.59 0.04 -0.32 -1.23 0.00 0.00 174.94 174.36 2nnj s MET 388 N -0.73 0.92 -0.42 2.79 1.75 -0.69 -0.97 119.30 121.95 2nnj s MET 388 Ca 0.11 -0.83 -0.17 0.00 -1.25 0.00 0.00 55.69 53.56 2nnj s MET 388 Cb -0.11 -2.21 0.02 0.00 2.84 0.00 0.00 34.83 35.37 2nnj s MET 388 CO 0.01 -0.76 0.40 0.00 -0.65 0.00 0.00 175.02 174.01 2nnj s ALA 389 N 1.64 3.44 -0.89 4.11 0.00 -1.26 -0.71 121.76 128.09 2nnj s ALA 389 Ca 0.02 -1.58 -0.25 0.00 0.00 0.00 0.00 51.96 50.15 2nnj s ALA 389 Cb -0.18 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 2nnj s ALA 389 CO -0.14 -1.55 1.88 -0.51 0.00 0.00 0.00 175.76 175.44 2nnj s LEU 390 N 1.99 3.21 0.34 0.00 1.43 -0.25 -4.14 118.68 121.27 2nnj s LEU 390 Ca 0.10 -0.69 0.04 0.00 -1.03 0.00 0.00 54.13 52.55 2nnj s LEU 390 Cb -0.18 -2.56 0.66 0.00 0.03 0.00 0.00 46.19 44.15 2nnj s LEU 390 CO 0.12 -2.58 1.94 -0.07 0.23 0.00 0.00 176.35 175.99 2nnj h LEU 391 N 17.19 0.76 -1.86 1.79 3.38 -1.71 -1.77 115.31 133.08 2nnj h LEU 391 Ca 0.08 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2nnj h LEU 391 Cb 1.02 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 2nnj h LEU 391 CO 1.23 0.48 0.01 0.00 0.09 0.00 0.00 178.44 180.25 2nnj h THR 392 N 0.86 1.04 0.00 0.22 1.03 -1.60 -1.11 112.91 113.35 2nnj h THR 392 Ca 0.35 -0.16 0.00 0.00 -0.01 0.00 0.00 66.41 66.59 2nnj h THR 392 Cb 0.25 0.99 0.00 0.00 -1.07 0.00 0.00 68.15 68.32 2nnj h THR 392 CO -0.12 0.05 0.00 0.77 -0.01 0.00 0.00 175.52 176.21 2nnj h SER 393 N 0.09 0.00 0.03 0.00 4.64 -1.58 -1.76 113.55 114.97 2nnj h SER 393 Ca 0.02 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.07 2nnj h SER 393 Cb 0.06 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.12 2nnj h SER 393 CO 0.00 0.00 -1.47 0.52 -0.87 0.00 0.00 176.83 175.01 2nnj n VAL 394 N -2.93 1.59 0.28 0.95 0.31 -0.63 -3.43 118.33 114.48 2nnj n VAL 394 Ca 0.02 -0.18 0.16 0.00 -0.01 0.00 0.00 64.34 64.32 2nnj n VAL 394 Cb 0.36 -1.97 0.91 0.00 -0.91 0.00 0.00 33.84 32.24 2nnj n VAL 394 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2nnj h LEU 395 N -0.75 0.00 -3.21 7.52 4.07 -1.20 -2.37 115.31 119.37 2nnj h LEU 395 Ca -0.38 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.57 2nnj h LEU 395 Cb 1.49 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.22 2nnj h LEU 395 CO -0.15 0.00 -0.01 1.41 -1.08 0.00 0.00 178.44 178.61 2nnj n HIS 396 N -3.79 0.75 -1.68 1.13 8.25 -0.67 -4.89 115.22 114.32 2nnj n HIS 396 Ca -0.02 -0.96 -0.47 0.00 -0.26 0.00 0.00 57.72 56.01 2nnj n HIS 396 Cb 0.13 -0.29 -0.04 0.00 1.12 0.00 0.00 29.99 30.90 2nnj n HIS 396 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2nnj n ASP 397 N -0.76 3.65 0.00 0.41 2.03 -0.89 -4.78 116.55 116.20 2nnj n ASP 397 Ca 0.21 0.96 0.09 0.00 0.52 0.00 0.00 54.79 56.56 2nnj n ASP 397 Cb 0.85 -1.42 0.41 0.00 -0.72 0.00 0.00 41.12 40.25 2nnj n ASP 397 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2nnj n ASP 398 N 6.79 0.00 -0.10 1.67 5.75 -1.26 -1.78 116.55 127.62 2nnj n ASP 398 Ca 0.22 0.23 -0.23 0.00 -0.01 0.00 0.00 54.79 55.01 2nnj n ASP 398 Cb 0.33 -0.38 -0.12 0.00 -1.03 0.00 0.00 41.12 39.92 2nnj n ASP 398 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2nnj n LYS 399 N -1.38 0.64 0.14 0.11 5.02 -1.26 -3.58 118.16 117.86 2nnj n LYS 399 Ca 0.07 0.25 -0.00 0.00 -2.02 0.00 0.00 58.31 56.61 2nnj n LYS 399 Cb 0.17 -1.57 0.25 0.00 -0.02 0.00 0.00 35.03 33.85 2nnj n LYS 399 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2nnj h GLU 400 N -0.39 0.06 -2.71 1.97 4.57 -1.95 -3.36 114.58 112.76 2nnj h GLU 400 Ca -0.56 -0.03 -0.60 0.00 -1.18 0.00 0.00 59.36 56.99 2nnj h GLU 400 Cb 1.77 0.00 -0.39 0.00 -0.16 0.00 0.00 28.75 29.97 2nnj h GLU 400 CO -0.17 0.53 -0.81 -0.06 -1.18 0.00 0.00 179.01 177.32 2nnj s PHE 401 N -3.94 1.77 0.28 0.92 0.40 -0.73 -5.06 117.98 111.61 2nnj s PHE 401 Ca -0.03 -2.45 -0.29 0.00 -0.60 0.00 0.00 56.93 53.56 2nnj s PHE 401 Cb 0.13 -1.54 -0.13 0.00 0.51 0.00 0.00 43.02 42.00 2nnj s PHE 401 CO 0.75 -0.76 1.27 -2.30 0.70 0.00 0.00 175.22 174.88 2nnj n PRO 402 N 3.04 1.88 -3.26 0.24 -0.02 -1.24 -2.24 135.00 133.40 2nnj n PRO 402 Ca 0.19 0.66 -0.13 0.00 -2.02 0.00 0.00 63.50 62.21 2nnj n PRO 402 Cb 0.40 -2.22 0.04 0.00 -0.02 0.00 0.00 33.50 31.70 2nnj n PRO 402 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2nnj n ASN 403 N 1.42 -6.80 0.12 2.55 3.02 -1.26 -4.90 115.26 109.42 2nnj n ASN 403 Ca 0.09 -0.56 0.11 0.00 -0.03 0.00 0.00 54.58 54.19 2nnj n ASN 403 Cb 0.33 -4.92 0.48 0.00 -0.61 0.00 0.00 39.78 35.07 2nnj n ASN 403 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2nnj n PRO 404 N -2.88 0.16 -0.19 3.52 -0.04 -0.95 -2.62 135.00 132.01 2nnj n PRO 404 Ca -0.06 0.46 0.10 0.00 -0.04 0.00 0.00 63.50 63.96 2nnj n PRO 404 Cb 0.58 -1.85 0.27 0.00 -0.04 0.00 0.00 33.50 32.46 2nnj n PRO 404 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2nnj n ASN 405 N -2.16 2.51 -4.56 3.54 3.02 -1.26 -4.83 115.26 111.52 2nnj n ASN 405 Ca 0.01 -1.91 -0.34 0.00 -0.03 0.00 0.00 54.58 52.31 2nnj n ASN 405 Cb 0.17 -0.24 -0.11 0.00 -0.61 0.00 0.00 39.78 38.99 2nnj n ASN 405 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2nnj s ILE 406 N -1.51 3.97 -0.31 2.41 1.01 -1.08 -5.07 121.20 120.61 2nnj s ILE 406 Ca 0.34 -0.35 -0.29 0.00 0.00 0.00 0.00 60.65 60.35 2nnj s ILE 406 Cb 0.18 -2.70 0.02 0.00 0.01 0.00 0.00 42.46 39.97 2nnj s ILE 406 CO 0.26 0.54 1.08 0.12 0.00 0.00 0.00 174.94 176.94 2nnj s PHE 407 N -0.19 3.14 -0.26 3.97 5.36 -1.26 -4.99 117.98 123.76 2nnj s PHE 407 Ca 0.04 1.20 -0.02 0.00 -0.96 0.00 0.00 56.93 57.19 2nnj s PHE 407 Cb -0.13 -3.68 0.14 0.00 -0.34 0.00 0.00 43.02 39.02 2nnj s PHE 407 CO 0.02 -0.79 0.40 0.34 -1.46 0.00 0.00 175.22 173.73 2nnj s ASP 408 N 1.67 0.14 0.65 6.13 3.68 -1.26 -5.02 116.67 122.66 2nnj s ASP 408 Ca 0.46 0.17 0.32 0.00 2.13 0.00 0.00 52.55 55.62 2nnj s ASP 408 Cb -0.13 1.20 1.72 0.00 -1.45 0.00 0.00 42.92 44.27 2nnj s ASP 408 CO 0.15 -0.31 2.00 -0.65 0.13 0.00 0.00 175.17 176.49 2nnj h PRO 409 N 8.16 0.00 0.00 4.34 0.11 -1.94 -1.20 132.00 141.48 2nnj h PRO 409 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 2nnj h PRO 409 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2nnj h PRO 409 CO 0.27 0.00 0.01 0.78 -0.21 0.00 0.00 178.00 178.85 2nnj h GLY 410 N 0.00 0.00 2.00 -0.55 0.00 -1.91 -1.59 103.07 101.02 2nnj h GLY 410 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2nnj h GLY 410 CO -0.00 0.00 0.00 0.45 0.00 0.00 0.00 176.54 176.99 2nnj h HIS 411 N 0.00 0.00 -0.20 5.60 3.86 -1.59 -2.51 115.15 120.30 2nnj h HIS 411 Ca 0.00 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.03 2nnj h HIS 411 Cb 0.03 0.00 -0.22 0.00 1.06 0.00 0.00 27.41 28.28 2nnj h HIS 411 CO 0.00 0.00 -0.75 1.19 0.86 0.00 0.00 177.93 179.23 2nnj n PHE 412 N -2.69 0.70 -3.96 2.45 3.72 -0.60 -4.97 117.46 112.11 2nnj n PHE 412 Ca -0.01 -1.49 -0.14 0.00 -0.05 0.00 0.00 57.45 55.76 2nnj n PHE 412 Cb 0.12 -0.24 -0.14 0.00 -0.94 0.00 0.00 39.48 38.28 2nnj n PHE 412 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2nnj s LEU 413 N -2.64 1.92 0.00 4.37 1.02 -0.95 -1.57 118.68 120.84 2nnj s LEU 413 Ca 0.39 -0.03 -0.00 0.00 0.02 0.00 0.00 54.13 54.51 2nnj s LEU 413 Cb 0.38 -0.09 0.12 0.00 0.02 0.00 0.00 46.19 46.61 2nnj s LEU 413 CO -0.07 0.01 0.83 -0.90 0.02 0.00 0.00 176.35 176.24 2nnj n ASP 414 N 3.14 1.11 0.22 2.29 3.85 0.64 -4.77 116.55 123.02 2nnj n ASP 414 Ca -0.14 -1.94 0.18 0.00 -0.71 0.00 0.00 54.79 52.19 2nnj n ASP 414 Cb 0.59 -0.54 0.84 0.00 -1.35 0.00 0.00 41.12 40.66 2nnj n ASP 414 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.20 176.30 2nnj h LYS 415 N 0.00 0.00 -0.56 0.11 6.56 -1.98 -1.10 116.57 119.60 2nnj h LYS 415 Ca -0.27 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.32 2nnj h LYS 415 Cb 1.01 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.67 2nnj h LYS 415 CO 0.29 0.00 0.00 0.09 -2.06 0.00 0.00 179.45 177.77 2nnj n ASN 416 N -3.52 3.80 -0.01 0.86 3.02 -1.26 -4.95 115.26 113.19 2nnj n ASN 416 Ca 0.02 -2.16 -0.00 0.00 -0.03 0.00 0.00 54.58 52.41 2nnj n ASN 416 Cb 0.38 -0.43 -0.00 0.00 -0.61 0.00 0.00 39.78 39.12 2nnj n ASN 416 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2nnj n GLY 417 N 1.04 0.47 3.88 7.41 0.00 -0.42 -5.04 105.19 112.54 2nnj n GLY 417 Ca 0.20 -0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 2nnj n GLY 417 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2nnj s ASN 418 N -2.33 6.57 0.14 1.61 0.01 -1.26 -4.60 114.94 115.09 2nnj s ASN 418 Ca 0.00 0.86 -0.31 0.00 -0.71 0.00 0.00 52.86 52.69 2nnj s ASN 418 Cb 0.00 -2.20 -0.10 0.00 0.41 0.00 0.00 41.25 39.36 2nnj s ASN 418 CO 0.00 -0.11 1.65 0.12 -1.51 0.00 0.00 177.10 177.24 2nnj s PHE 419 N -1.90 2.76 -0.27 2.20 2.19 -1.26 -0.26 117.98 121.43 2nnj s PHE 419 Ca 0.46 0.42 -0.03 0.00 0.33 0.00 0.00 56.93 58.11 2nnj s PHE 419 Cb -0.11 -4.00 0.02 0.00 -1.31 0.00 0.00 43.02 37.62 2nnj s PHE 419 CO 0.24 -3.85 -0.00 0.21 1.83 0.00 0.00 175.22 173.65 2nnj s LYS 420 N 1.74 2.85 0.53 10.12 2.20 -0.61 -4.79 119.74 131.78 2nnj s LYS 420 Ca 0.73 -0.99 -0.18 0.00 -0.36 0.00 0.00 55.97 55.17 2nnj s LYS 420 Cb -0.44 -3.16 -0.06 0.00 -1.51 0.00 0.00 37.83 32.66 2nnj s LYS 420 CO 0.32 -0.46 1.04 0.21 -0.36 0.00 0.00 175.35 176.11 2nnj s LYS 421 N 1.37 3.62 -0.03 4.03 2.20 -1.26 -4.45 119.74 125.22 2nnj s LYS 421 Ca 0.00 1.25 0.02 0.00 -0.36 0.00 0.00 55.97 56.89 2nnj s LYS 421 Cb -0.17 -2.07 0.00 0.00 -1.51 0.00 0.00 37.83 34.08 2nnj s LYS 421 CO -0.01 -0.57 -0.09 0.45 -0.36 0.00 0.00 175.35 174.76 2nnj s SER 422 N -2.42 1.29 0.54 1.43 0.15 -1.26 -5.00 113.70 108.43 2nnj s SER 422 Ca 0.65 -0.20 0.34 0.00 0.70 0.00 0.00 55.95 57.43 2nnj s SER 422 Cb -0.15 -0.39 1.39 0.00 -1.71 0.00 0.00 66.02 65.16 2nnj s SER 422 CO 0.28 0.06 1.98 0.44 1.20 0.00 0.00 173.24 177.20 2nnj h ASP 423 N 6.48 0.00 -0.12 5.45 3.45 -2.02 -2.72 116.42 126.93 2nnj h ASP 423 Ca -0.33 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.13 2nnj h ASP 423 Cb 1.17 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.94 2nnj h ASP 423 CO 0.48 0.00 0.00 -1.22 -1.57 0.00 0.00 179.24 176.93 2nnj n TYR 424 N -3.04 0.16 -2.78 4.55 4.02 -1.26 -4.66 117.16 114.15 2nnj n TYR 424 Ca 0.01 -0.08 -0.43 0.00 -0.01 0.00 0.00 57.90 57.39 2nnj n TYR 424 Cb 0.29 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.59 2nnj n TYR 424 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 2nnj s PHE 425 N -1.84 2.89 -0.29 -0.72 5.36 -1.03 -4.02 117.98 118.33 2nnj s PHE 425 Ca 0.29 -1.19 0.08 0.00 -0.96 0.00 0.00 56.93 55.15 2nnj s PHE 425 Cb 0.15 -4.45 0.46 0.00 -0.34 0.00 0.00 43.02 38.84 2nnj s PHE 425 CO 0.23 -1.67 1.19 -1.33 -1.46 0.00 0.00 175.22 172.18 2nnj n MET 426 N 7.48 3.55 0.25 10.12 2.81 -1.26 -4.81 117.12 135.25 2nnj n MET 426 Ca 0.28 -4.15 0.17 0.00 -1.81 0.00 0.00 57.70 52.19 2nnj n MET 426 Cb 0.50 -2.26 0.75 0.00 -0.71 0.00 0.00 33.22 31.50 2nnj n MET 426 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2nnj h PRO 427 N 2.20 0.00 -0.56 0.03 0.13 -1.90 -1.51 132.00 130.39 2nnj h PRO 427 Ca 0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.48 2nnj h PRO 427 Cb 1.52 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.65 2nnj h PRO 427 CO 0.74 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.70 2nnj n PHE 428 N -2.84 0.73 -4.18 1.56 3.72 -1.26 -4.79 117.46 110.40 2nnj n PHE 428 Ca 0.00 -0.39 0.00 0.00 -0.05 0.00 0.00 57.45 57.01 2nnj n PHE 428 Cb 0.22 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 2nnj n PHE 428 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2nnj n SER 429 N 1.49 -0.81 -3.78 4.37 2.88 -0.57 -1.40 113.62 115.80 2nnj n SER 429 Ca 0.21 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.66 2nnj n SER 429 Cb 0.60 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.02 2nnj n SER 429 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2nnj s ALA 430 N -1.18 -0.43 0.00 -1.46 0.00 -1.26 -4.78 121.76 112.65 2nnj s ALA 430 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.17 2nnj s ALA 430 Cb 0.00 0.99 0.00 0.00 0.00 0.00 0.00 23.12 24.11 2nnj s ALA 430 CO 0.00 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.26 2nnj n GLY 431 N -0.43 -1.48 0.10 0.00 0.00 -1.26 -4.02 105.19 98.10 2nnj n GLY 431 Ca -0.03 -1.53 0.11 0.00 0.00 0.00 0.00 46.02 44.58 2nnj n GLY 431 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2nnj n LYS 432 N 0.00 0.16 -0.24 1.61 5.02 -1.26 -3.10 118.16 120.35 2nnj n LYS 432 Ca 0.00 0.36 0.07 0.00 -2.02 0.00 0.00 58.31 56.72 2nnj n LYS 432 Cb 0.00 -1.79 0.17 0.00 -0.02 0.00 0.00 35.03 33.39 2nnj n LYS 432 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2nnj n ARG 433 N -2.09 2.65 -1.53 1.97 0.63 -1.26 -5.05 116.66 111.98 2nnj n ARG 433 Ca 0.03 -2.37 -0.39 0.00 -0.92 0.00 0.00 57.85 54.20 2nnj n ARG 433 Cb 0.24 -1.49 0.03 0.00 0.45 0.00 0.00 32.46 31.69 2nnj n ARG 433 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 2nnj n ILE 434 N -0.35 2.62 -1.08 5.15 3.06 -1.18 -4.72 119.36 122.86 2nnj n ILE 434 Ca 0.14 -0.50 -0.42 0.00 -2.50 0.00 0.00 62.75 59.47 2nnj n ILE 434 Cb 0.62 -0.88 -0.06 0.00 0.54 0.00 0.00 39.64 39.86 2nnj n ILE 434 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2nnj n ALA 436 N 2.13 2.17 -2.12 0.00 0.00 -1.26 -3.14 120.51 118.29 2nnj n ALA 436 Ca 0.18 -0.11 0.03 0.00 0.00 0.00 0.00 53.44 53.54 2nnj n ALA 436 Cb -0.01 -1.37 0.10 0.00 0.00 0.00 0.00 19.45 18.17 2nnj n ALA 436 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nnj n GLY 437 N 0.64 3.03 0.28 0.00 0.00 -1.26 -4.81 105.19 103.06 2nnj n GLY 437 Ca 0.11 -1.14 -0.03 0.00 0.00 0.00 0.00 46.02 44.96 2nnj n GLY 437 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2nnj h GLU 438 N 1.14 0.87 -0.39 1.61 4.81 -1.92 -0.45 114.58 120.26 2nnj h GLU 438 Ca -0.10 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 2nnj h GLU 438 Cb 1.47 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.64 2nnj h GLU 438 CO 0.09 0.58 0.17 0.78 -0.73 0.00 0.00 179.01 179.90 2nnj h GLY 439 N 0.90 0.61 1.06 1.92 0.00 -1.89 -1.12 103.07 104.55 2nnj h GLY 439 Ca 0.29 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 47.24 2nnj h GLY 439 CO -0.11 0.30 0.21 -2.00 0.00 0.00 0.00 176.54 174.95 2nnj h LEU 440 N 0.48 1.08 0.13 3.11 5.85 -1.83 -1.72 115.31 122.41 2nnj h LEU 440 Ca 0.13 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 2nnj h LEU 440 Cb 0.16 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.91 2nnj h LEU 440 CO -0.01 1.02 -0.06 0.00 -0.34 0.00 0.00 178.44 179.04 2nnj h ALA 441 N 1.11 -0.17 -0.02 1.25 0.00 -0.80 0.60 119.26 121.23 2nnj h ALA 441 Ca 0.23 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2nnj h ALA 441 Cb 0.33 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2nnj h ALA 441 CO -0.00 -0.56 -0.11 0.00 0.00 0.00 0.00 179.25 178.57 2nnj h ARG 442 N -0.24 0.03 -0.10 0.00 3.08 -1.16 -1.26 114.38 114.73 2nnj h ARG 442 Ca -0.02 -0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 2nnj h ARG 442 Cb 0.19 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2nnj h ARG 442 CO 0.03 0.15 -0.35 1.98 -1.07 0.00 0.00 179.97 180.71 2nnj h MET 443 N 0.03 0.42 -0.76 0.04 4.05 -0.93 -1.97 114.93 115.81 2nnj h MET 443 Ca 0.01 -0.31 -0.05 0.00 -0.28 0.00 0.00 59.70 59.07 2nnj h MET 443 Cb 0.22 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.05 2nnj h MET 443 CO 0.02 0.94 0.28 0.93 0.23 0.00 0.00 176.91 179.30 2nnj h GLU 444 N -0.02 1.15 -0.02 0.39 5.08 -0.50 -0.91 114.58 119.76 2nnj h GLU 444 Ca -0.01 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2nnj h GLU 444 Cb 0.97 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 2nnj h GLU 444 CO 0.07 0.95 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.96 2nnj h LEU 445 N 1.12 0.03 0.03 1.33 3.38 -1.24 0.13 115.31 120.08 2nnj h LEU 445 Ca 0.25 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2nnj h LEU 445 Cb 0.24 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2nnj h LEU 445 CO -0.02 0.38 -0.01 0.15 0.09 0.00 0.00 178.44 179.03 2nnj h PHE 446 N -0.31 -0.03 -0.30 1.13 3.04 -1.26 -1.90 116.94 117.30 2nnj h PHE 446 Ca 0.00 -0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.86 2nnj h PHE 446 Cb 0.37 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.88 2nnj h PHE 446 CO 0.05 0.03 -0.17 -0.07 -2.02 0.00 0.00 178.31 176.12 2nnj h LEU 447 N -0.08 0.67 -0.48 0.59 3.38 -1.21 -1.64 115.31 116.53 2nnj h LEU 447 Ca -0.00 -0.42 -0.08 0.00 0.09 0.00 0.00 57.88 57.46 2nnj h LEU 447 Cb 0.07 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2nnj h LEU 447 CO 0.01 0.95 -0.03 -0.26 0.09 0.00 0.00 178.44 179.20 2nnj h PHE 448 N 0.40 0.95 -0.39 1.13 0.04 -0.98 -1.51 116.94 116.58 2nnj h PHE 448 Ca 0.06 -0.17 -0.15 0.00 2.80 0.00 0.00 57.97 60.51 2nnj h PHE 448 Cb 0.71 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 2nnj h PHE 448 CO 0.06 0.91 -0.35 -0.07 -0.60 0.00 0.00 178.31 178.27 2nnj h LEU 449 N 0.72 0.97 -0.34 1.54 3.38 -1.38 -1.74 115.31 118.47 2nnj h LEU 449 Ca 0.13 -0.46 -0.18 0.00 0.09 0.00 0.00 57.88 57.47 2nnj h LEU 449 Cb 0.55 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2nnj h LEU 449 CO 0.03 1.23 -0.49 0.71 0.09 0.00 0.00 178.44 180.01 2nnj h THR 450 N 0.73 1.27 -0.32 0.22 1.35 -1.29 -1.65 112.91 113.21 2nnj h THR 450 Ca 0.07 -1.66 -0.12 0.00 -0.55 0.00 0.00 66.41 64.14 2nnj h THR 450 Cb 0.94 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 68.87 2nnj h THR 450 CO 0.09 0.55 -0.29 0.74 -0.25 0.00 0.00 175.52 176.35 2nnj h THR 451 N 0.71 1.28 0.09 6.82 2.02 -1.29 -0.87 112.91 121.66 2nnj h THR 451 Ca 0.03 -1.41 -0.00 0.00 0.77 0.00 0.00 66.41 65.80 2nnj h THR 451 Cb 1.09 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 2nnj h THR 451 CO 0.11 0.46 -0.04 0.40 0.37 0.00 0.00 175.52 176.82 2nnj h ILE 452 N 0.58 1.10 0.00 3.11 2.04 -1.27 -3.06 117.51 120.01 2nnj h ILE 452 Ca 0.07 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.21 2nnj h ILE 452 Cb 0.79 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 2nnj h ILE 452 CO 0.07 0.18 0.00 -0.07 0.00 0.00 0.00 178.15 178.32 2nnj h LEU 453 N -0.45 0.00 -0.11 1.44 3.38 -1.21 0.11 115.31 118.47 2nnj h LEU 453 Ca -0.01 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.75 2nnj h LEU 453 Cb 0.38 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2nnj h LEU 453 CO 0.02 0.00 -0.96 -0.61 0.09 0.00 0.00 178.44 176.98 2nnj h GLN 454 N 0.00 0.04 0.00 1.13 4.15 -1.10 -3.35 115.11 115.98 2nnj h GLN 454 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 2nnj h GLN 454 Cb 0.32 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.02 2nnj h GLN 454 CO 0.00 0.96 -1.08 0.09 -1.93 0.00 0.00 178.83 176.88 2nnj n ASN 455 N -3.45 0.97 -4.03 -0.69 3.02 -0.76 -4.85 115.26 105.48 2nnj n ASN 455 Ca -0.01 -0.55 -0.08 0.00 -0.03 0.00 0.00 54.58 53.91 2nnj n ASN 455 Cb 0.89 1.26 -0.10 0.00 -0.61 0.00 0.00 39.78 41.22 2nnj n ASN 455 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2nnj s PHE 456 N -2.67 0.40 0.21 3.10 0.08 0.30 -1.77 117.98 117.64 2nnj s PHE 456 Ca 0.02 -0.85 0.08 0.00 0.12 0.00 0.00 56.93 56.30 2nnj s PHE 456 Cb 0.11 -0.30 -0.04 0.00 -0.57 0.00 0.00 43.02 42.22 2nnj s PHE 456 CO 0.63 -0.34 0.02 -0.80 -0.10 0.00 0.00 175.22 174.63 2nnj s ASN 457 N -2.47 4.76 -0.24 1.36 0.01 0.05 -4.42 114.94 113.99 2nnj s ASN 457 Ca -0.00 -0.46 -0.06 0.00 -0.71 0.00 0.00 52.86 51.63 2nnj s ASN 457 Cb 0.02 -0.99 -0.01 0.00 0.41 0.00 0.00 41.25 40.68 2nnj s ASN 457 CO -0.07 0.05 0.02 -0.76 -1.51 0.00 0.00 177.10 174.83 2nnj s LEU 458 N -3.25 3.27 -0.09 0.60 1.43 -1.26 -1.89 118.68 117.49 2nnj s LEU 458 Ca 0.29 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 53.06 2nnj s LEU 458 Cb -0.08 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 2nnj s LEU 458 CO 0.19 -0.05 -0.14 -0.75 0.23 0.00 0.00 176.35 175.84 2nnj s LYS 459 N 1.54 2.93 0.21 1.70 2.20 -0.42 -4.93 119.74 122.97 2nnj s LYS 459 Ca 0.06 -0.69 -0.09 0.00 -0.36 0.00 0.00 55.97 54.88 2nnj s LYS 459 Cb -0.15 -2.50 -0.07 0.00 -1.51 0.00 0.00 37.83 33.60 2nnj s LYS 459 CO 0.01 0.43 0.53 0.45 -0.36 0.00 0.00 175.35 176.41 2nnj s SER 460 N -0.22 6.63 -0.05 1.43 0.15 -1.26 -0.63 113.70 119.74 2nnj s SER 460 Ca 0.01 0.90 -0.20 0.00 0.70 0.00 0.00 55.95 57.36 2nnj s SER 460 Cb -0.13 -2.22 -0.14 0.00 -1.71 0.00 0.00 66.02 61.82 2nnj s SER 460 CO 0.03 -0.05 0.80 0.58 1.20 0.00 0.00 173.24 175.80 2nnj h VAL 461 N 2.08 0.74 -3.12 4.45 2.07 -1.96 -3.47 116.25 117.04 2nnj h VAL 461 Ca -0.47 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 65.95 2nnj h VAL 461 Cb 1.17 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 2nnj h VAL 461 CO 0.69 0.20 0.00 -0.67 0.02 0.00 0.00 177.57 177.81 2nnj n ASP 462 N -4.93 0.00 -4.77 0.57 -0.08 -1.26 -5.07 116.55 101.01 2nnj n ASP 462 Ca -0.07 -0.70 -0.38 0.00 -1.51 0.00 0.00 54.79 52.13 2nnj n ASP 462 Cb 0.25 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.68 2nnj n ASP 462 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2nnj s ASP 463 N -1.00 6.86 0.54 1.67 -1.08 -1.26 -4.94 116.67 117.46 2nnj s ASP 463 Ca 0.00 2.19 0.30 0.00 -0.52 0.00 0.00 52.55 54.52 2nnj s ASP 463 Cb 0.00 -2.61 1.57 0.00 -1.46 0.00 0.00 42.92 40.42 2nnj s ASP 463 CO 0.00 -0.43 2.11 -0.07 0.52 0.00 0.00 175.17 177.30 2nnj h LEU 464 N 2.95 0.00 -1.35 -1.34 3.38 -1.97 -2.69 115.31 114.29 2nnj h LEU 464 Ca -0.48 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.42 2nnj h LEU 464 Cb 1.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 2nnj h LEU 464 CO 0.64 0.09 -0.33 0.50 0.09 0.00 0.00 178.44 179.43 2nnj h LYS 465 N 0.00 0.00 0.00 1.13 1.63 -1.97 -2.67 116.57 114.69 2nnj h LYS 465 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2nnj h LYS 465 Cb 0.29 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 2nnj h LYS 465 CO 0.01 0.33 0.00 0.09 -3.45 0.00 0.00 179.45 176.43 2nnj n ASN 466 N -4.13 0.58 -4.60 4.20 4.13 -1.02 -4.77 115.26 109.65 2nnj n ASN 466 Ca -0.02 0.56 -0.43 0.00 1.68 0.00 0.00 54.58 56.37 2nnj n ASN 466 Cb 0.37 -0.72 -0.02 0.00 -1.54 0.00 0.00 39.78 37.87 2nnj n ASN 466 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2nnj s LEU 467 N -4.11 3.63 -0.03 3.41 2.96 -1.01 -5.02 118.68 118.51 2nnj s LEU 467 Ca 0.11 0.57 -0.13 0.00 -0.22 0.00 0.00 54.13 54.47 2nnj s LEU 467 Cb 0.14 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.23 2nnj s LEU 467 CO 0.56 -1.29 0.33 0.21 -1.32 0.00 0.00 176.35 174.85 2nnj s ASN 468 N 2.78 6.69 0.00 3.68 3.84 -1.26 -5.00 114.94 125.67 2nnj s ASN 468 Ca 0.51 0.83 0.08 0.00 0.21 0.00 0.00 52.86 54.49 2nnj s ASN 468 Cb -0.09 -2.20 0.04 0.00 -0.55 0.00 0.00 41.25 38.45 2nnj s ASN 468 CO 0.31 0.35 0.68 0.35 -2.79 0.00 0.00 177.10 176.00 2nnj n THR 469 N 1.86 0.00 -2.05 -5.21 -2.24 -1.26 -4.72 114.28 100.66 2nnj n THR 469 Ca -0.16 -0.47 -0.41 0.00 -2.27 0.00 0.00 64.05 60.75 2nnj n THR 469 Cb 0.53 1.14 -0.02 0.00 -2.10 0.00 0.00 70.33 69.88 2nnj n THR 469 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2nnj s THR 470 N -0.90 2.65 0.19 4.28 2.01 -1.26 -4.77 115.64 117.83 2nnj s THR 470 Ca 0.09 0.60 -0.33 0.00 0.31 0.00 0.00 61.69 62.36 2nnj s THR 470 Cb 0.07 -3.38 -0.13 0.00 0.01 0.00 0.00 72.50 69.07 2nnj s THR 470 CO 0.15 0.12 1.67 0.00 -0.69 0.00 0.00 174.62 175.87 2nnj n ALA 471 N 1.43 2.23 0.12 7.40 0.00 -1.26 -4.31 120.51 126.11 2nnj n ALA 471 Ca 0.03 0.42 -0.24 0.00 0.00 0.00 0.00 53.44 53.65 2nnj n ALA 471 Cb 0.41 -2.46 -0.16 0.00 0.00 0.00 0.00 19.45 17.25 2nnj n ALA 471 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2nnj h VAL 472 N 3.75 1.17 -4.14 0.00 -1.51 -1.73 -3.47 116.25 110.33 2nnj h VAL 472 Ca -0.44 -2.62 -0.61 0.00 -1.23 0.00 0.00 66.70 61.80 2nnj h VAL 472 Cb 1.22 2.96 -0.25 0.00 -2.13 0.00 0.00 31.29 33.09 2nnj h VAL 472 CO 0.93 0.82 -0.85 -0.89 -1.23 0.00 0.00 177.57 176.35 2nnj s THR 473 N -2.58 1.82 -0.42 7.19 2.01 -1.25 -5.03 115.64 117.39 2nnj s THR 473 Ca -0.12 -1.34 0.04 0.00 0.31 0.00 0.00 61.69 60.58 2nnj s THR 473 Cb 0.04 -1.59 0.18 0.00 0.01 0.00 0.00 72.50 71.13 2nnj s THR 473 CO 0.91 0.19 0.38 0.29 -0.69 0.00 0.00 174.62 175.69 2nnj n LYS 474 N 1.63 0.23 -3.43 4.92 5.02 -1.25 -2.35 118.16 122.94 2nnj n LYS 474 Ca -0.18 -3.08 -0.27 0.00 -2.02 0.00 0.00 58.31 52.77 2nnj n LYS 474 Cb 0.53 -1.63 -0.10 0.00 -0.02 0.00 0.00 35.03 33.81 2nnj n LYS 474 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2nnj n GLY 475 N 2.78 2.50 1.88 0.72 0.00 -1.26 -4.01 105.19 107.80 2nnj n GLY 475 Ca 0.29 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.78 2nnj n GLY 475 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2nnj n ILE 476 N 2.50 0.00 -3.76 -0.61 5.41 -1.26 -4.53 119.36 117.11 2nnj n ILE 476 Ca 0.28 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.79 2nnj n ILE 476 Cb 0.47 0.00 -0.17 0.00 -0.71 0.00 0.00 39.64 39.23 2nnj n ILE 476 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2nnj s VAL 477 N -0.26 0.41 0.21 1.39 1.01 -1.26 -4.52 120.40 117.38 2nnj s VAL 477 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 2nnj s VAL 477 Cb 0.00 -0.65 -0.08 0.00 0.00 0.00 0.00 36.38 35.64 2nnj s VAL 477 CO 0.00 0.15 1.18 -0.44 0.00 0.00 0.00 175.10 176.00 2nnj s SER 478 N 1.95 7.11 0.03 3.32 0.01 -0.31 -4.58 113.70 121.22 2nnj s SER 478 Ca 0.04 2.25 0.08 0.00 1.31 0.00 0.00 55.95 59.63 2nnj s SER 478 Cb -0.13 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.46 2nnj s SER 478 CO -0.06 -0.34 -0.24 -0.76 0.41 0.00 0.00 173.24 172.26 2nnj s LEU 479 N -0.50 2.29 0.73 2.44 1.43 -0.99 -4.78 118.68 119.30 2nnj s LEU 479 Ca 0.51 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 52.99 2nnj s LEU 479 Cb -0.33 -1.37 0.03 0.00 0.03 0.00 0.00 46.19 44.55 2nnj s LEU 479 CO 0.38 0.27 1.08 -2.16 0.23 0.00 0.00 176.35 176.15 2nnj s PRO 480 N -1.17 2.64 0.80 1.29 0.04 -1.26 -2.24 135.00 135.10 2nnj s PRO 480 Ca 0.12 0.77 -0.10 0.00 0.04 0.00 0.00 61.00 61.83 2nnj s PRO 480 Cb -0.10 -1.97 0.07 0.00 0.04 0.00 0.00 34.50 32.54 2nnj s PRO 480 CO 0.02 -1.26 1.10 -1.25 0.04 0.00 0.00 177.00 175.66 2nnj s PRO 481 N -5.13 2.05 0.39 0.56 0.04 -1.26 -4.69 135.00 126.95 2nnj s PRO 481 Ca 0.59 1.24 -0.26 0.00 0.04 0.00 0.00 61.00 62.61 2nnj s PRO 481 Cb -0.14 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.45 2nnj s PRO 481 CO 0.54 -1.81 1.21 0.45 0.04 0.00 0.00 177.00 177.43 2nnj s SER 482 N -3.26 6.55 0.16 6.66 0.15 -1.26 -5.03 113.70 117.66 2nnj s SER 482 Ca 0.62 2.44 -0.20 0.00 0.70 0.00 0.00 55.95 59.52 2nnj s SER 482 Cb -0.18 -2.62 0.05 0.00 -1.71 0.00 0.00 66.02 61.55 2nnj s SER 482 CO 0.56 -0.67 0.52 -0.72 1.20 0.00 0.00 173.24 174.14 2nnj s TYR 483 N -1.33 -0.33 0.17 3.44 -0.85 -1.26 -5.06 117.35 112.12 2nnj s TYR 483 Ca 0.55 0.05 0.09 0.00 -0.52 0.00 0.00 57.07 57.24 2nnj s TYR 483 Cb -0.33 0.43 -0.04 0.00 0.38 0.00 0.00 41.96 42.40 2nnj s TYR 483 CO 0.42 -0.83 -0.10 -0.65 -1.52 0.00 0.00 175.55 172.88 2nnj s GLN 484 N -3.80 2.06 0.02 -3.49 -0.21 -1.26 -4.46 119.66 108.51 2nnj s GLN 484 Ca 0.04 -1.23 -0.17 0.00 0.02 0.00 0.00 55.36 54.02 2nnj s GLN 484 Cb -0.00 -2.18 0.03 0.00 1.00 0.00 0.00 33.01 31.86 2nnj s GLN 484 CO -0.10 0.45 0.37 -1.50 -2.12 0.00 0.00 175.29 172.39 2nnj s ILE 485 N -1.61 0.06 -0.16 1.08 2.07 -0.33 -4.58 121.20 117.73 2nnj s ILE 485 Ca 0.24 -0.49 -0.01 0.00 -1.41 0.00 0.00 60.65 58.98 2nnj s ILE 485 Cb -0.09 -0.84 -0.01 0.00 0.13 0.00 0.00 42.46 41.65 2nnj s ILE 485 CO 0.15 -0.27 -0.12 0.00 -1.91 0.00 0.00 174.94 172.79 2nnj s PHE 487 N 0.86 3.07 -0.40 0.00 0.40 -1.26 -1.30 117.98 119.35 2nnj s PHE 487 Ca -0.04 -1.07 -0.18 0.00 -0.60 0.00 0.00 56.93 55.04 2nnj s PHE 487 Cb -0.15 -3.97 0.01 0.00 0.51 0.00 0.00 43.02 39.43 2nnj s PHE 487 CO -0.00 -1.23 0.52 0.42 0.70 0.00 0.00 175.22 175.63 2nnj s ILE 488 N 2.38 4.99 0.16 0.64 1.01 -0.79 -3.79 121.20 125.80 2nnj s ILE 488 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 60.65 60.41 2nnj s ILE 488 Cb -0.25 -4.06 -0.14 0.00 0.01 0.00 0.00 42.46 38.02 2nnj s ILE 488 CO 0.05 -0.41 1.52 -0.81 0.00 0.00 0.00 174.94 175.29 2nnj n PRO 489 N 5.84 2.00 0.00 2.79 -0.04 -1.26 -0.77 135.00 143.56 2nnj n PRO 489 Ca -0.05 0.72 0.05 0.00 -0.04 0.00 0.00 63.50 64.18 2nnj n PRO 489 Cb 0.48 -2.45 0.27 0.00 -0.04 0.00 0.00 33.50 31.76 2nnj n PRO 489 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79