#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mjg n ASP 3 N 0.00 0.16 0.28 3.42 2.03 -1.26 -3.94 116.55 117.24 1mjg n ASP 3 Ca 0.00 0.07 0.14 0.00 0.52 0.00 0.00 54.79 55.53 1mjg n ASP 3 Cb 0.00 1.14 0.82 0.00 -0.72 0.00 0.00 41.12 42.37 1mjg n ASP 3 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1mjg h PHE 4 N 0.00 0.00 0.00 -0.67 3.57 -2.04 -1.31 116.94 116.49 1mjg h PHE 4 Ca -0.31 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.19 1mjg h PHE 4 Cb 1.75 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.49 1mjg h PHE 4 CO 0.00 0.07 0.00 -0.25 -2.23 0.00 0.00 178.31 175.90 1mjg n ASP 5 N -3.63 0.00 -0.01 0.41 10.43 -1.25 -3.27 116.55 119.22 1mjg n ASP 5 Ca -0.02 0.49 0.07 0.00 2.57 0.00 0.00 54.79 57.90 1mjg n ASP 5 Cb 0.18 -0.49 0.47 0.00 1.84 0.00 0.00 41.12 43.12 1mjg n ASP 5 CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 1mjg h LYS 6 N 0.00 0.44 0.00 -1.24 1.79 -1.46 -1.27 116.57 114.83 1mjg h LYS 6 Ca 0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1mjg h LYS 6 Cb 0.28 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1mjg h LYS 6 CO 0.00 0.29 0.00 -0.84 -1.08 0.00 0.00 179.45 177.82 1mjg h ILE 7 N 0.45 0.00 -0.49 1.86 3.07 -1.78 -0.60 117.51 120.03 1mjg h ILE 7 Ca 0.18 -0.05 0.00 0.00 1.55 0.00 0.00 64.86 66.55 1mjg h ILE 7 Cb 0.16 0.74 0.00 0.00 -0.27 0.00 0.00 36.82 37.44 1mjg h ILE 7 CO -0.04 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.55 1mjg n PHE 8 N -2.56 0.64 -2.86 0.16 3.01 -0.48 -4.88 117.46 110.49 1mjg n PHE 8 Ca -0.02 -0.32 -0.40 0.00 1.01 0.00 0.00 57.45 57.73 1mjg n PHE 8 Cb 0.08 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.49 1mjg n PHE 8 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1mjg s GLU 9 N -1.36 4.68 0.00 -1.08 2.02 -0.23 -3.69 118.70 119.03 1mjg s GLU 9 Ca 0.42 1.31 0.00 0.00 0.02 0.00 0.00 54.97 56.71 1mjg s GLU 9 Cb 0.24 -3.30 0.00 0.00 0.10 0.00 0.00 34.13 31.17 1mjg s GLU 9 CO 0.32 0.47 0.00 0.41 0.02 0.00 0.00 175.26 176.48 1mjg n GLY 10 N 1.75 2.91 0.16 -1.39 0.00 -1.26 -4.88 105.19 102.49 1mjg n GLY 10 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 1mjg n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mjg h ALA 11 N 0.00 -0.33 -1.98 4.61 0.00 -1.89 -3.40 119.26 116.27 1mjg h ALA 11 Ca 0.00 -0.08 -0.58 0.00 0.00 0.00 0.00 54.91 54.24 1mjg h ALA 11 Cb 0.00 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.84 1mjg h ALA 11 CO 0.00 -0.68 0.69 0.42 0.00 0.00 0.00 179.25 179.69 1mjg s ILE 12 N -6.06 4.52 -0.34 0.00 1.01 -1.26 -4.25 121.20 114.83 1mjg s ILE 12 Ca -0.15 1.31 -0.30 0.00 0.00 0.00 0.00 60.65 61.52 1mjg s ILE 12 Cb 0.05 -4.38 -0.08 0.00 0.01 0.00 0.00 42.46 38.06 1mjg s ILE 12 CO 0.64 -0.58 2.27 -2.65 0.00 0.00 0.00 174.94 174.62 1mjg n PRO 13 N 6.92 1.46 -1.61 2.79 -0.02 -1.26 -4.82 135.00 138.46 1mjg n PRO 13 Ca 0.09 0.34 -0.54 0.00 -2.02 0.00 0.00 63.50 61.37 1mjg n PRO 13 Cb 0.48 -3.00 -0.07 0.00 -0.02 0.00 0.00 33.50 30.89 1mjg n PRO 13 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1mjg n GLU 14 N 8.65 1.32 0.00 -0.52 0.00 -1.26 -0.87 120.64 127.96 1mjg n GLU 14 Ca 0.36 0.45 0.00 0.00 0.00 0.00 0.00 57.16 57.97 1mjg n GLU 14 Cb 0.39 -2.32 0.00 0.00 0.00 0.00 0.00 31.44 29.51 1mjg n GLU 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1mjg n GLY 15 N 5.08 0.90 2.62 8.31 0.00 -1.26 -4.99 105.19 115.85 1mjg n GLY 15 Ca 0.31 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.24 1mjg n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mjg n LYS 16 N -0.49 1.13 -2.17 1.61 5.02 -0.05 -5.11 118.16 118.10 1mjg n LYS 16 Ca 0.00 -2.92 -0.42 0.00 -2.02 0.00 0.00 58.31 52.94 1mjg n LYS 16 Cb 0.00 -1.04 -0.03 0.00 -0.02 0.00 0.00 35.03 33.94 1mjg n LYS 16 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1mjg s GLU 17 N -2.25 4.31 -1.19 1.97 2.02 -1.26 -4.72 118.70 117.59 1mjg s GLU 17 Ca 0.27 2.07 -0.15 0.00 0.02 0.00 0.00 54.97 57.18 1mjg s GLU 17 Cb 0.43 -3.30 -0.06 0.00 0.10 0.00 0.00 34.13 31.30 1mjg s GLU 17 CO -0.00 -0.46 2.22 -0.35 0.02 0.00 0.00 175.26 176.69 1mjg n PRO 18 N 4.18 2.43 -0.23 0.39 -0.04 -1.26 -4.74 135.00 135.73 1mjg n PRO 18 Ca 0.12 -2.14 0.02 0.00 -0.04 0.00 0.00 63.50 61.46 1mjg n PRO 18 Cb 0.42 -2.98 0.14 0.00 -0.04 0.00 0.00 33.50 31.05 1mjg n PRO 18 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1mjg h VAL 19 N 3.93 0.71 -0.87 0.52 -1.51 -1.91 -1.04 116.25 116.07 1mjg h VAL 19 Ca 0.56 -0.14 0.08 0.00 -1.23 0.00 0.00 66.70 65.96 1mjg h VAL 19 Cb 0.53 0.25 -0.06 0.00 -2.13 0.00 0.00 31.29 29.89 1mjg h VAL 19 CO 1.84 0.08 0.57 0.00 -1.23 0.00 0.00 177.57 178.82 1mjg h ALA 20 N 1.48 1.58 -0.33 5.19 0.00 -1.85 0.22 119.26 125.55 1mjg h ALA 20 Ca 0.36 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.18 1mjg h ALA 20 Cb 0.50 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1mjg h ALA 20 CO -0.36 0.27 -0.06 1.25 0.00 0.00 0.00 179.25 180.35 1mjg h LEU 21 N 0.94 0.62 -0.96 0.00 6.46 -1.13 -1.75 115.31 119.49 1mjg h LEU 21 Ca 0.39 -0.35 -0.03 0.00 -0.12 0.00 0.00 57.88 57.77 1mjg h LEU 21 Cb 0.28 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.01 1mjg h LEU 21 CO -0.15 0.82 0.37 -0.26 -0.62 0.00 0.00 178.44 178.60 1mjg h PHE 22 N 0.40 1.11 -0.48 1.25 0.04 -0.58 -1.69 116.94 116.99 1mjg h PHE 22 Ca 0.09 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.79 1mjg h PHE 22 Cb 0.54 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 1mjg h PHE 22 CO 0.05 0.81 0.23 -0.09 -0.60 0.00 0.00 178.31 178.70 1mjg h ARG 23 N 1.10 0.70 -0.61 1.51 2.43 -0.38 -0.44 114.38 118.69 1mjg h ARG 23 Ca 0.27 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1mjg h ARG 23 Cb 0.12 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 1mjg h ARG 23 CO -0.03 0.60 0.38 1.49 -1.51 0.00 0.00 179.97 180.90 1mjg h GLU 24 N 0.64 0.82 -0.44 0.20 4.81 -0.91 0.53 114.58 120.24 1mjg h GLU 24 Ca 0.17 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1mjg h GLU 24 Cb 0.13 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1mjg h GLU 24 CO -0.02 0.58 0.27 0.28 -0.73 0.00 0.00 179.01 179.38 1mjg h VAL 25 N 0.83 1.14 -0.36 0.32 2.07 -1.01 0.67 116.25 119.91 1mjg h VAL 25 Ca 0.22 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.47 1mjg h VAL 25 Cb -0.05 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 1mjg h VAL 25 CO -0.04 0.14 0.16 0.22 0.02 0.00 0.00 177.57 178.06 1mjg h TYR 26 N 0.58 0.29 -0.63 1.57 -0.00 -0.54 0.21 116.97 118.45 1mjg h TYR 26 Ca 0.16 0.02 -0.05 0.00 -0.00 0.00 0.00 58.73 58.86 1mjg h TYR 26 Cb -0.01 -0.08 -0.03 0.00 -0.00 0.00 0.00 36.73 36.61 1mjg h TYR 26 CO -0.03 0.14 0.21 0.45 -0.00 0.00 0.00 178.16 178.93 1mjg h HIS 27 N 0.33 0.99 -0.08 -3.82 3.86 -0.54 -1.57 115.15 114.32 1mjg h HIS 27 Ca 0.15 -0.09 -0.11 0.00 -1.16 0.00 0.00 60.37 59.16 1mjg h HIS 27 Cb 0.09 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.26 1mjg h HIS 27 CO -0.11 0.80 -0.44 0.78 0.86 0.00 0.00 177.93 179.82 1mjg h GLY 28 N 0.89 0.21 1.23 2.45 0.00 -0.39 -1.75 103.07 105.71 1mjg h GLY 28 Ca 0.20 -0.20 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 1mjg h GLY 28 CO -0.01 0.19 -0.58 0.00 0.00 0.00 0.00 176.54 176.13 1mjg h ALA 29 N 1.39 0.49 -0.04 3.60 0.00 -0.32 -0.80 119.26 123.59 1mjg h ALA 29 Ca 0.01 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1mjg h ALA 29 Cb 0.84 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1mjg h ALA 29 CO 0.07 0.69 0.01 0.82 0.00 0.00 0.00 179.25 180.83 1mjg h ILE 30 N 0.61 1.16 -0.22 0.00 2.04 -1.18 -0.62 117.51 119.29 1mjg h ILE 30 Ca 0.00 -0.47 0.04 0.00 1.00 0.00 0.00 64.86 65.43 1mjg h ILE 30 Cb 1.18 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 38.62 1mjg h ILE 30 CO 0.12 0.13 -0.04 0.74 0.00 0.00 0.00 178.15 179.10 1mjg h THR 31 N -0.12 0.79 -0.16 -0.27 2.02 -1.26 0.39 112.91 114.29 1mjg h THR 31 Ca 0.01 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 1mjg h THR 31 Cb 0.20 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1mjg h THR 31 CO -0.00 0.00 0.06 0.00 0.37 0.00 0.00 175.52 175.95 1mjg h ALA 32 N 1.22 0.21 -0.49 6.16 0.00 -1.06 -0.67 119.26 124.63 1mjg h ALA 32 Ca 0.11 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1mjg h ALA 32 Cb 0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1mjg h ALA 32 CO -0.22 -0.18 -0.09 1.79 0.00 0.00 0.00 179.25 180.55 1mjg h THR 33 N 0.09 1.27 -0.57 0.00 1.35 -0.97 -0.94 112.91 113.15 1mjg h THR 33 Ca 0.05 -1.22 -0.10 0.00 -0.55 0.00 0.00 66.41 64.59 1mjg h THR 33 Cb 0.20 1.05 -0.02 0.00 -1.73 0.00 0.00 68.15 67.65 1mjg h THR 33 CO -0.00 0.42 -0.05 0.28 -0.25 0.00 0.00 175.52 175.92 1mjg h SER 34 N 0.78 1.01 -0.37 5.36 0.02 -0.91 -1.08 113.55 118.37 1mjg h SER 34 Ca 0.13 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1mjg h SER 34 Cb 0.64 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1mjg h SER 34 CO 0.04 1.09 0.19 0.22 -1.14 0.00 0.00 176.83 177.23 1mjg h TYR 35 N 0.93 0.53 -0.86 3.45 3.20 -0.99 -1.55 116.97 121.68 1mjg h TYR 35 Ca 0.16 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 1mjg h TYR 35 Cb 0.61 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.67 1mjg h TYR 35 CO 0.04 0.44 0.53 0.00 -1.64 0.00 0.00 178.16 177.53 1mjg h ALA 36 N 1.04 1.32 -0.46 1.82 0.00 -0.95 -2.14 119.26 119.90 1mjg h ALA 36 Ca 0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1mjg h ALA 36 Cb 0.10 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1mjg h ALA 36 CO -0.02 0.59 0.19 1.49 0.00 0.00 0.00 179.25 181.51 1mjg h GLU 37 N 1.18 0.68 -0.36 0.00 4.22 -0.63 0.11 114.58 119.77 1mjg h GLU 37 Ca 0.31 -0.12 -0.00 0.00 0.08 0.00 0.00 59.36 59.63 1mjg h GLU 37 Cb -0.08 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1mjg h GLU 37 CO -0.06 0.61 0.21 0.82 -2.18 0.00 0.00 179.01 178.41 1mjg h ILE 38 N 0.60 1.13 -0.47 2.32 2.04 -0.95 -1.40 117.51 120.78 1mjg h ILE 38 Ca 0.16 -0.31 -0.13 0.00 1.00 0.00 0.00 64.86 65.57 1mjg h ILE 38 Cb 0.18 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1mjg h ILE 38 CO -0.01 0.13 -0.23 -0.07 0.00 0.00 0.00 178.15 177.96 1mjg h LEU 39 N 0.46 1.02 0.34 1.44 3.38 -1.24 -2.34 115.31 118.37 1mjg h LEU 39 Ca 0.13 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1mjg h LEU 39 Cb 0.02 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1mjg h LEU 39 CO -0.02 1.20 -0.16 0.25 0.09 0.00 0.00 178.44 179.79 1mjg h LEU 40 N 0.84 -0.39 -1.46 1.67 5.85 -0.61 -0.92 115.31 120.29 1mjg h LEU 40 Ca 0.10 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1mjg h LEU 40 Cb 0.82 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1mjg h LEU 40 CO 0.07 -0.18 -0.22 0.78 -0.34 0.00 0.00 178.44 178.55 1mjg h ASN 41 N -0.57 0.00 -0.18 1.25 2.35 -1.32 -0.81 115.58 116.31 1mjg h ASN 41 Ca -0.05 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.58 1mjg h ASN 41 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1mjg h ASN 41 CO 0.08 0.22 -0.36 -0.61 -1.65 0.00 0.00 177.43 175.10 1mjg h GLN 42 N 0.00 0.56 -0.92 0.81 5.75 -1.27 -1.41 115.11 118.63 1mjg h GLN 42 Ca -0.00 -0.36 0.01 0.00 -0.15 0.00 0.00 58.65 58.14 1mjg h GLN 42 Cb 0.58 0.05 -0.05 0.00 1.07 0.00 0.00 27.48 29.13 1mjg h GLN 42 CO 0.03 0.97 0.60 0.00 -2.65 0.00 0.00 178.83 177.78 1mjg h ALA 43 N 0.58 1.17 -0.67 3.38 0.00 -0.67 -0.78 119.26 122.27 1mjg h ALA 43 Ca 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1mjg h ALA 43 Cb 0.96 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1mjg h ALA 43 CO 0.08 0.58 0.13 0.82 0.00 0.00 0.00 179.25 180.86 1mjg h ILE 44 N 1.25 1.26 -0.04 0.00 2.04 -1.06 0.20 117.51 121.16 1mjg h ILE 44 Ca 0.34 -0.99 -0.08 0.00 1.00 0.00 0.00 64.86 65.13 1mjg h ILE 44 Cb -0.13 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1mjg h ILE 44 CO -0.07 0.38 -0.33 0.03 0.00 0.00 0.00 178.15 178.16 1mjg h ARG 45 N 1.02 0.07 0.16 2.37 3.08 -0.59 0.37 114.38 120.87 1mjg h ARG 45 Ca 0.21 -0.02 -0.26 0.00 0.07 0.00 0.00 59.98 59.97 1mjg h ARG 45 Cb 0.40 -0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.46 1mjg h ARG 45 CO 0.01 0.39 -1.20 1.15 -1.07 0.00 0.00 179.97 179.25 1mjg h THR 46 N 0.06 1.29 0.00 2.04 2.02 -0.60 -3.40 112.91 114.32 1mjg h THR 46 Ca 0.01 -2.54 0.00 0.00 0.77 0.00 0.00 66.41 64.65 1mjg h THR 46 Cb 0.62 3.00 0.00 0.00 -1.74 0.00 0.00 68.15 70.03 1mjg h THR 46 CO 0.05 0.75 -0.64 -1.22 0.37 0.00 0.00 175.52 174.82 1mjg n TYR 47 N -3.94 0.00 0.00 3.16 4.01 0.65 -5.10 117.16 115.95 1mjg n TYR 47 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 1mjg n TYR 47 Cb 0.93 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.92 1mjg n TYR 47 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1mjg n GLY 48 N 1.34 -0.61 0.25 2.72 0.00 0.13 -4.27 105.19 104.75 1mjg n GLY 48 Ca 0.01 -1.52 0.17 0.00 0.00 0.00 0.00 46.02 44.69 1mjg n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mjg h PRO 49 N 0.00 0.00 -0.02 1.61 0.13 -1.93 -2.78 132.00 129.01 1mjg h PRO 49 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1mjg h PRO 49 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1mjg h PRO 49 CO 0.00 0.00 -0.09 -0.25 -0.23 0.00 0.00 178.00 177.43 1mjg n ASP 50 N -2.78 1.64 -4.73 1.44 8.00 -1.26 0.10 116.55 118.95 1mjg n ASP 50 Ca -0.01 -1.43 -0.42 0.00 0.71 0.00 0.00 54.79 53.65 1mjg n ASP 50 Cb 0.16 0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.30 1mjg n ASP 50 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1mjg s HIS 51 N -2.15 3.14 0.75 1.24 2.46 -1.05 -4.79 115.29 114.89 1mjg s HIS 51 Ca 0.32 1.00 -0.14 0.00 0.47 0.00 0.00 55.06 56.71 1mjg s HIS 51 Cb 0.20 -3.75 0.05 0.00 -0.13 0.00 0.00 32.58 28.96 1mjg s HIS 51 CO 0.39 -2.50 1.21 -2.14 -2.47 0.00 0.00 174.74 169.23 1mjg s PRO 52 N 0.25 2.00 -0.15 2.88 0.02 -1.26 -1.03 135.00 137.71 1mjg s PRO 52 Ca 0.61 1.76 -0.13 0.00 0.02 0.00 0.00 61.00 63.26 1mjg s PRO 52 Cb -0.40 -1.82 0.04 0.00 0.02 0.00 0.00 34.50 32.35 1mjg s PRO 52 CO 0.37 -1.94 0.39 0.54 -0.33 0.00 0.00 177.00 176.03 1mjg s VAL 53 N -2.03 -0.00 -4.11 3.83 0.11 -0.42 -4.63 120.40 113.15 1mjg s VAL 53 Ca 0.74 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.80 1mjg s VAL 53 Cb -0.29 -0.55 0.00 0.00 -1.53 0.00 0.00 36.38 34.01 1mjg s VAL 53 CO 0.47 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.85 1mjg n GLY 54 N 3.02 -2.10 3.66 6.54 0.00 -1.26 -4.39 105.19 110.65 1mjg n GLY 54 Ca -0.14 -1.22 -0.24 0.00 0.00 0.00 0.00 46.02 44.41 1mjg n GLY 54 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mjg s TYR 55 N -2.41 2.76 0.51 1.61 4.12 -1.26 -4.83 117.35 117.86 1mjg s TYR 55 Ca 0.00 -0.19 -0.11 0.00 0.02 0.00 0.00 57.07 56.79 1mjg s TYR 55 Cb 0.00 -1.26 -0.05 0.00 -1.52 0.00 0.00 41.96 39.12 1mjg s TYR 55 CO 0.00 0.58 0.90 -1.25 0.02 0.00 0.00 175.55 175.80 1mjg s PRO 56 N -3.45 3.71 -1.27 -1.71 0.04 -1.26 -4.41 135.00 126.64 1mjg s PRO 56 Ca 0.30 0.60 -0.08 0.00 0.04 0.00 0.00 61.00 61.87 1mjg s PRO 56 Cb -0.07 -2.23 -0.01 0.00 0.04 0.00 0.00 34.50 32.23 1mjg s PRO 56 CO 0.20 -0.30 0.64 -0.25 0.04 0.00 0.00 177.00 177.33 1mjg n ASP 57 N -2.04 -2.49 -3.70 6.66 8.00 -1.26 -4.68 116.55 117.04 1mjg n ASP 57 Ca 0.04 -0.95 -0.15 0.00 0.71 0.00 0.00 54.79 54.44 1mjg n ASP 57 Cb 0.54 -3.49 -0.08 0.00 -0.02 0.00 0.00 41.12 38.07 1mjg n ASP 57 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1mjg s THR 58 N -3.69 0.04 -1.34 -3.53 -1.32 -1.26 -0.44 115.64 104.10 1mjg s THR 58 Ca 0.18 -0.34 0.13 0.00 -1.21 0.00 0.00 61.69 60.46 1mjg s THR 58 Cb -0.06 -0.72 0.27 0.00 -1.51 0.00 0.00 72.50 70.48 1mjg s THR 58 CO 0.85 -0.18 1.16 0.00 -2.21 0.00 0.00 174.62 174.24 1mjg n ALA 59 N 1.22 2.32 -1.56 11.08 0.00 -1.26 -4.58 120.51 127.72 1mjg n ALA 59 Ca -0.21 -0.95 -0.13 0.00 0.00 0.00 0.00 53.44 52.15 1mjg n ALA 59 Cb 0.56 -0.50 0.15 0.00 0.00 0.00 0.00 19.45 19.66 1mjg n ALA 59 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1mjg n TYR 60 N 0.74 1.73 0.00 0.00 4.02 -1.26 -5.02 117.16 117.37 1mjg n TYR 60 Ca 0.12 -1.92 0.00 0.00 -0.01 0.00 0.00 57.90 56.08 1mjg n TYR 60 Cb 0.41 -0.59 0.00 0.00 -0.02 0.00 0.00 39.34 39.14 1mjg n TYR 60 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1mjg n TYR 61 N -1.02 0.00 -3.38 -0.72 4.02 -1.26 -1.27 117.16 113.53 1mjg n TYR 61 Ca 0.40 0.00 -0.45 0.00 -0.01 0.00 0.00 57.90 57.84 1mjg n TYR 61 Cb 0.99 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 40.27 1mjg n TYR 61 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1mjg s LEU 62 N 0.00 6.36 0.26 7.72 1.43 -1.26 -4.49 118.68 128.71 1mjg s LEU 62 Ca 0.00 -2.37 -0.08 0.00 -1.03 0.00 0.00 54.13 50.64 1mjg s LEU 62 Cb 0.00 -2.16 0.42 0.00 0.03 0.00 0.00 46.19 44.48 1mjg s LEU 62 CO 0.00 -0.65 1.49 -2.65 0.23 0.00 0.00 176.35 174.78 1mjg n PRO 63 N 4.39 -0.10 -0.16 1.29 -0.02 -0.40 -0.91 135.00 139.09 1mjg n PRO 63 Ca 0.03 1.49 -0.04 0.00 -2.02 0.00 0.00 63.50 62.97 1mjg n PRO 63 Cb 0.44 -2.23 0.05 0.00 -0.02 0.00 0.00 33.50 31.74 1mjg n PRO 63 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1mjg h VAL 64 N 0.00 0.89 -0.11 -1.45 2.07 -1.87 0.18 116.25 115.96 1mjg h VAL 64 Ca 0.45 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.80 1mjg h VAL 64 Cb 0.69 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1mjg h VAL 64 CO -0.98 0.07 -0.06 0.40 0.02 0.00 0.00 177.57 177.02 1mjg h ILE 65 N 0.41 1.33 -0.88 4.57 2.04 -1.61 -1.91 117.51 121.46 1mjg h ILE 65 Ca 0.23 -1.13 0.03 0.00 1.00 0.00 0.00 64.86 64.99 1mjg h ILE 65 Cb 0.20 1.85 -0.05 0.00 -0.74 0.00 0.00 36.82 38.08 1mjg h ILE 65 CO -0.20 0.32 0.58 -0.09 0.00 0.00 0.00 178.15 178.76 1mjg h ARG 66 N -0.14 1.07 0.49 2.37 9.65 -0.83 -1.27 114.38 125.73 1mjg h ARG 66 Ca 0.02 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 58.81 1mjg h ARG 66 Cb 0.54 -0.24 0.00 0.00 -1.39 0.00 0.00 29.97 28.88 1mjg h ARG 66 CO 0.02 0.71 -0.24 0.00 2.80 0.00 0.00 179.97 183.26 1mjg h PHE 68 N -1.12 0.01 0.00 0.00 0.04 -1.36 0.21 116.94 114.72 1mjg h PHE 68 Ca -0.07 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.70 1mjg h PHE 68 Cb 0.56 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.71 1mjg h PHE 68 CO 0.01 0.87 0.00 -1.13 -0.60 0.00 0.00 178.31 177.46 1mjg n SER 69 N -3.51 0.41 0.00 2.17 3.41 -0.59 -4.02 113.62 111.49 1mjg n SER 69 Ca -0.00 -0.72 0.00 0.00 -0.26 0.00 0.00 58.87 57.89 1mjg n SER 69 Cb 0.83 0.35 0.00 0.00 -0.26 0.00 0.00 64.21 65.12 1mjg n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mjg n GLY 70 N 0.35 1.69 3.78 5.00 0.00 -0.58 -4.59 105.19 110.84 1mjg n GLY 70 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1mjg n GLY 70 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1mjg s GLU 71 N -0.09 3.88 -1.11 1.61 1.03 -1.26 -4.77 118.70 117.99 1mjg s GLU 71 Ca 0.00 1.56 -0.12 0.00 0.03 0.00 0.00 54.97 56.43 1mjg s GLU 71 Cb 0.00 -2.33 0.21 0.00 -0.80 0.00 0.00 34.13 31.21 1mjg s GLU 71 CO 0.00 -0.40 1.22 -1.21 -1.33 0.00 0.00 175.26 173.54 1mjg s GLU 72 N -2.82 4.06 -0.01 -4.83 2.02 -1.26 -3.98 118.70 111.87 1mjg s GLU 72 Ca 0.63 -2.76 -0.30 0.00 0.02 0.00 0.00 54.97 52.56 1mjg s GLU 72 Cb -0.23 -4.79 -0.06 0.00 0.10 0.00 0.00 34.13 29.15 1mjg s GLU 72 CO 0.27 -1.52 1.54 0.08 0.02 0.00 0.00 175.26 175.66 1mjg s VAL 73 N 0.41 3.53 0.00 2.63 1.01 -1.26 -4.83 120.40 121.89 1mjg s VAL 73 Ca 0.35 0.83 0.00 0.00 0.00 0.00 0.00 61.98 63.16 1mjg s VAL 73 Cb -0.06 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1mjg s VAL 73 CO -0.05 -0.03 0.00 0.29 0.00 0.00 0.00 175.10 175.31 1mjg n LYS 74 N 6.11 2.49 -4.17 2.72 5.02 -1.26 -4.50 118.16 124.56 1mjg n LYS 74 Ca 0.15 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.32 1mjg n LYS 74 Cb 0.43 -0.82 -0.10 0.00 -0.02 0.00 0.00 35.03 34.51 1mjg n LYS 74 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1mjg s LYS 75 N -1.57 0.84 0.30 1.97 -2.85 -1.26 -1.30 119.74 115.87 1mjg s LYS 75 Ca 0.00 -1.26 0.06 0.00 -1.00 0.00 0.00 55.97 53.77 1mjg s LYS 75 Cb 0.00 -0.34 0.78 0.00 -2.06 0.00 0.00 37.83 36.21 1mjg s LYS 75 CO 0.00 0.02 1.74 -0.07 0.10 0.00 0.00 175.35 177.14 1mjg h LEU 76 N 3.20 0.65 -0.85 2.77 3.38 -1.09 -1.01 115.31 122.36 1mjg h LEU 76 Ca -0.36 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1mjg h LEU 76 Cb 1.18 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1mjg h LEU 76 CO 0.60 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.90 1mjg n GLY 77 N -1.32 -0.83 0.17 0.83 0.00 0.11 -1.93 105.19 102.23 1mjg n GLY 77 Ca 0.24 0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.50 1mjg n GLY 77 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1mjg h ASP 78 N 0.00 0.00 0.21 1.61 3.45 -1.43 -3.39 116.42 116.87 1mjg h ASP 78 Ca 0.00 -0.01 -0.28 0.00 0.43 0.00 0.00 57.03 57.17 1mjg h ASP 78 Cb 0.07 0.00 0.03 0.00 -0.56 0.00 0.00 39.33 38.87 1mjg h ASP 78 CO 0.00 0.01 -1.22 -0.07 -1.57 0.00 0.00 179.24 176.38 1mjg h LEU 79 N 0.00 0.70 -0.85 1.55 3.38 -1.54 -3.38 115.31 115.16 1mjg h LEU 79 Ca 0.00 -0.93 0.15 0.00 0.09 0.00 0.00 57.88 57.19 1mjg h LEU 79 Cb 0.94 -0.23 -0.15 0.00 0.09 0.00 0.00 40.66 41.31 1mjg h LEU 79 CO 0.00 1.59 -0.31 -0.65 0.09 0.00 0.00 178.44 179.16 1mjg h PRO 80 N -0.06 -0.04 -0.14 1.13 0.11 -1.76 -0.29 132.00 130.95 1mjg h PRO 80 Ca -0.21 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.83 1mjg h PRO 80 Cb 1.96 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 33.07 1mjg h PRO 80 CO 0.23 -0.03 -0.22 -1.00 -0.21 0.00 0.00 178.00 176.77 1mjg h PRO 81 N -0.04 0.24 -0.13 1.05 0.13 -1.87 -1.27 132.00 130.11 1mjg h PRO 81 Ca 0.35 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 65.38 1mjg h PRO 81 Cb 0.60 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.71 1mjg h PRO 81 CO -0.88 0.46 -0.04 0.82 -0.23 0.00 0.00 178.00 178.13 1mjg h ILE 82 N 0.22 1.30 -0.73 -3.56 2.04 -1.31 -2.69 117.51 112.78 1mjg h ILE 82 Ca 0.04 -1.00 -0.04 0.00 1.00 0.00 0.00 64.86 64.86 1mjg h ILE 82 Cb 0.52 1.70 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 1mjg h ILE 82 CO 0.04 0.29 0.31 0.25 0.00 0.00 0.00 178.15 179.04 1mjg h LEU 83 N -0.06 0.99 -0.95 1.44 5.85 -0.99 -2.82 115.31 118.77 1mjg h LEU 83 Ca 0.03 -0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.65 1mjg h LEU 83 Cb 0.47 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 1mjg h LEU 83 CO 0.01 0.88 0.61 0.78 -0.34 0.00 0.00 178.44 180.38 1mjg h ASN 84 N 1.04 0.98 -0.85 1.25 2.35 -1.18 0.29 115.58 119.46 1mjg h ASN 84 Ca 0.25 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.00 1mjg h ASN 84 Cb 0.18 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.31 1mjg h ASN 84 CO -0.02 0.63 0.50 0.03 -1.65 0.00 0.00 177.43 176.92 1mjg h ARG 85 N 1.12 1.18 -0.08 0.81 3.08 -1.22 -0.01 114.38 119.25 1mjg h ARG 85 Ca 0.40 -0.12 -0.20 0.00 0.07 0.00 0.00 59.98 60.14 1mjg h ARG 85 Cb 0.14 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 1mjg h ARG 85 CO -0.16 0.84 -0.78 0.87 -1.07 0.00 0.00 179.97 179.67 1mjg h LYS 86 N 1.19 0.49 -0.96 0.04 1.79 -1.19 -2.30 116.57 115.62 1mjg h LYS 86 Ca 0.31 -0.42 0.03 0.00 -2.18 0.00 0.00 60.65 58.39 1mjg h LYS 86 Cb -0.02 0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 30.67 1mjg h LYS 86 CO -0.05 1.05 0.64 -0.09 -1.08 0.00 0.00 179.45 179.91 1mjg h ARG 87 N 0.32 1.22 0.00 3.15 2.43 0.12 -1.99 114.38 119.63 1mjg h ARG 87 Ca -0.04 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.01 1mjg h ARG 87 Cb 1.37 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 1mjg h ARG 87 CO 0.14 0.81 -0.21 0.00 -1.51 0.00 0.00 179.97 179.20 1mjg h ALA 88 N 1.42 0.93 -0.03 2.80 0.00 -0.84 -3.14 119.26 120.40 1mjg h ALA 88 Ca 0.37 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1mjg h ALA 88 Cb -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1mjg h ALA 88 CO -0.10 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.41 1mjg n GLN 89 N -3.25 1.46 -2.74 0.00 10.64 -0.75 -4.65 117.38 118.08 1mjg n GLN 89 Ca 0.01 -0.67 -0.42 0.00 -1.83 0.00 0.00 57.00 54.09 1mjg n GLN 89 Cb 0.50 -1.46 -0.04 0.00 -0.86 0.00 0.00 30.24 28.38 1mjg n GLN 89 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1mjg s VAL 90 N -1.97 4.19 -0.04 -0.39 1.01 -1.17 -4.60 120.40 117.43 1mjg s VAL 90 Ca 0.39 0.32 -0.02 0.00 0.00 0.00 0.00 61.98 62.67 1mjg s VAL 90 Cb 0.20 -4.67 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 1mjg s VAL 90 CO 0.33 -1.35 0.11 -0.55 0.00 0.00 0.00 175.10 173.64 1mjg s SER 91 N 3.16 5.95 0.07 3.32 0.15 -1.26 -4.99 113.70 120.10 1mjg s SER 91 Ca 0.32 0.26 0.26 0.00 0.70 0.00 0.00 55.95 57.50 1mjg s SER 91 Cb -0.11 -1.80 1.03 0.00 -1.71 0.00 0.00 66.02 63.43 1mjg s SER 91 CO 0.18 0.31 1.82 -0.81 1.20 0.00 0.00 173.24 175.94 1mjg n PRO 92 N 1.36 0.09 -2.50 5.44 -0.04 -1.26 -4.59 135.00 133.50 1mjg n PRO 92 Ca -0.14 0.11 -0.42 0.00 -0.04 0.00 0.00 63.50 63.01 1mjg n PRO 92 Cb 0.53 -1.61 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 1mjg n PRO 92 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1mjg s VAL 93 N -3.05 3.99 -0.23 0.52 1.01 -1.26 -4.97 120.40 116.40 1mjg s VAL 93 Ca 0.12 0.93 -0.24 0.00 0.00 0.00 0.00 61.98 62.78 1mjg s VAL 93 Cb 0.15 -4.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 1mjg s VAL 93 CO 0.51 -1.11 0.82 -0.76 0.00 0.00 0.00 175.10 174.56 1mjg s LEU 94 N 5.19 4.09 0.13 3.92 1.43 -1.26 -4.81 118.68 127.37 1mjg s LEU 94 Ca 0.50 1.04 -0.25 0.00 -1.03 0.00 0.00 54.13 54.39 1mjg s LEU 94 Cb -0.09 -3.18 0.07 0.00 0.03 0.00 0.00 46.19 43.01 1mjg s LEU 94 CO 0.28 -0.50 0.86 0.54 0.23 0.00 0.00 176.35 177.76 1mjg s ASN 95 N 1.32 -0.29 0.16 2.29 2.20 -1.26 -5.04 114.94 114.32 1mjg s ASN 95 Ca 0.35 -0.27 -0.15 0.00 -0.94 0.00 0.00 52.86 51.84 1mjg s ASN 95 Cb -0.15 0.51 0.10 0.00 -2.00 0.00 0.00 41.25 39.71 1mjg s ASN 95 CO 0.08 -0.90 1.73 0.15 -2.94 0.00 0.00 177.10 175.21 1mjg h PHE 96 N 2.00 0.15 -0.24 1.54 -0.00 -1.98 -0.88 116.94 117.54 1mjg h PHE 96 Ca -0.24 0.02 0.02 0.00 -0.00 0.00 0.00 57.97 57.78 1mjg h PHE 96 Cb 1.25 -0.01 -0.02 0.00 -0.00 0.00 0.00 35.95 37.16 1mjg h PHE 96 CO 0.34 0.03 0.08 1.49 -0.00 0.00 0.00 178.31 180.25 1mjg h GLU 97 N 0.22 0.19 -0.11 1.11 4.81 -1.98 -1.55 114.58 117.28 1mjg h GLU 97 Ca 0.19 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 1mjg h GLU 97 Cb 0.22 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1mjg h GLU 97 CO -0.24 0.13 -0.17 -0.91 -0.73 0.00 0.00 179.01 177.09 1mjg h ASN 98 N 0.20 0.17 -0.56 1.04 2.35 -1.80 -1.32 115.58 115.66 1mjg h ASN 98 Ca 0.10 -0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.73 1mjg h ASN 98 Cb 0.07 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 1mjg h ASN 98 CO -0.10 0.36 0.01 0.00 -1.65 0.00 0.00 177.43 176.05 1mjg h ALA 99 N 1.66 0.75 -0.59 -0.83 0.00 -0.57 0.53 119.26 120.21 1mjg h ALA 99 Ca 0.03 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 1mjg h ALA 99 Cb 0.41 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1mjg h ALA 99 CO 0.03 0.58 -0.00 0.00 0.00 0.00 0.00 179.25 179.85 1mjg h ARG 100 N 0.87 1.04 -0.41 0.00 3.08 -0.78 -0.81 114.38 117.37 1mjg h ARG 100 Ca 0.16 -0.33 -0.06 0.00 0.07 0.00 0.00 59.98 59.82 1mjg h ARG 100 Cb 0.53 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 1mjg h ARG 100 CO 0.03 1.02 0.01 -0.07 -1.07 0.00 0.00 179.97 179.89 1mjg h LEU 101 N 0.95 0.62 -1.01 3.04 3.38 -0.90 -0.90 115.31 120.49 1mjg h LEU 101 Ca 0.17 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1mjg h LEU 101 Cb 0.55 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1mjg h LEU 101 CO 0.03 0.68 -0.19 0.00 0.09 0.00 0.00 178.44 179.05 1mjg h ALA 102 N 1.40 1.17 -0.54 1.53 0.00 -0.35 -1.65 119.26 120.82 1mjg h ALA 102 Ca 0.13 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1mjg h ALA 102 Cb 0.37 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1mjg h ALA 102 CO 0.01 0.53 0.14 0.78 0.00 0.00 0.00 179.25 180.71 1mjg h GLY 103 N 0.97 0.93 0.99 0.00 0.00 0.12 -0.21 103.07 105.87 1mjg h GLY 103 Ca 0.07 -0.57 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 1mjg h GLY 103 CO 0.04 0.53 0.22 -2.09 0.00 0.00 0.00 176.54 175.24 1mjg h GLU 104 N 0.76 0.89 -0.82 4.80 4.81 -0.85 -1.33 114.58 122.84 1mjg h GLU 104 Ca 0.17 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1mjg h GLU 104 Cb 0.32 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 1mjg h GLU 104 CO -0.00 0.77 0.48 0.00 -0.73 0.00 0.00 179.01 179.53 1mjg h ALA 105 N 1.07 1.30 -0.54 2.92 0.00 -1.02 -1.31 119.26 121.68 1mjg h ALA 105 Ca 0.19 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1mjg h ALA 105 Cb 0.22 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1mjg h ALA 105 CO -0.01 0.59 0.04 1.15 0.00 0.00 0.00 179.25 181.01 1mjg h THR 106 N 1.13 1.25 -0.58 0.00 2.02 -0.44 0.47 112.91 116.76 1mjg h THR 106 Ca 0.29 -1.01 -0.10 0.00 0.77 0.00 0.00 66.41 66.36 1mjg h THR 106 Cb -0.02 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1mjg h THR 106 CO -0.05 0.36 -0.02 -0.50 0.37 0.00 0.00 175.52 175.68 1mjg h TRP 107 N 0.84 1.13 -0.41 3.16 4.06 -0.53 0.05 115.95 124.25 1mjg h TRP 107 Ca 0.16 -0.20 -0.04 0.00 2.06 0.00 0.00 58.89 60.88 1mjg h TRP 107 Cb 0.44 -0.29 -0.02 0.00 -1.00 0.00 0.00 29.16 28.29 1mjg h TRP 107 CO 0.03 1.00 0.11 1.88 -3.56 0.00 0.00 178.44 177.90 1mjg h TYR 108 N 0.94 0.67 -0.20 0.49 0.99 -0.82 -0.20 116.97 118.85 1mjg h TYR 108 Ca 0.17 -0.08 -0.00 0.00 2.00 0.00 0.00 58.73 60.82 1mjg h TYR 108 Cb 0.57 -0.19 -0.01 0.00 1.00 0.00 0.00 36.73 38.10 1mjg h TYR 108 CO 0.04 0.64 0.12 0.00 -0.00 0.00 0.00 178.16 178.96 1mjg h ALA 109 N 0.96 0.25 -0.60 3.88 0.00 -0.67 -1.55 119.26 121.53 1mjg h ALA 109 Ca 0.13 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1mjg h ALA 109 Cb 0.30 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1mjg h ALA 109 CO -0.00 -0.24 0.15 0.00 0.00 0.00 0.00 179.25 179.16 1mjg h ALA 110 N 1.03 1.14 -0.75 0.00 0.00 -0.85 -0.18 119.26 119.65 1mjg h ALA 110 Ca 0.07 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1mjg h ALA 110 Cb 0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1mjg h ALA 110 CO -0.01 0.58 0.25 1.49 0.00 0.00 0.00 179.25 181.56 1mjg h GLU 111 N 0.89 1.15 -0.36 0.00 4.57 -0.80 -1.04 114.58 118.99 1mjg h GLU 111 Ca 0.19 -0.24 -0.08 0.00 -1.18 0.00 0.00 59.36 58.06 1mjg h GLU 111 Cb 0.31 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 1mjg h GLU 111 CO -0.00 0.97 -0.08 0.82 -1.18 0.00 0.00 179.01 179.54 1mjg h ILE 112 N 1.10 1.28 -0.69 2.32 2.04 -0.76 -0.41 117.51 122.38 1mjg h ILE 112 Ca 0.24 -1.14 0.02 0.00 1.00 0.00 0.00 64.86 64.98 1mjg h ILE 112 Cb 0.29 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 1mjg h ILE 112 CO -0.01 0.38 0.44 0.40 0.00 0.00 0.00 178.15 179.36 1mjg h ILE 113 N 0.48 1.13 -0.43 -0.67 2.04 -0.77 -0.77 117.51 118.53 1mjg h ILE 113 Ca 0.09 -0.30 -0.08 0.00 1.00 0.00 0.00 64.86 65.56 1mjg h ILE 113 Cb 0.58 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1mjg h ILE 113 CO 0.03 0.16 -0.06 -0.33 0.00 0.00 0.00 178.15 177.96 1mjg h GLU 114 N 0.89 0.79 -0.86 2.37 4.39 -1.05 -1.07 114.58 120.04 1mjg h GLU 114 Ca 0.27 -0.28 0.03 0.00 0.34 0.00 0.00 59.36 59.72 1mjg h GLU 114 Cb -0.03 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.52 1mjg h GLU 114 CO -0.09 0.90 0.57 0.00 -1.16 0.00 0.00 179.01 179.22 1mjg h ALA 115 N 0.87 1.45 -0.40 3.43 0.00 -0.63 -0.24 119.26 123.74 1mjg h ALA 115 Ca 0.11 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1mjg h ALA 115 Cb 0.58 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1mjg h ALA 115 CO 0.03 0.47 -0.28 -0.07 0.00 0.00 0.00 179.25 179.40 1mjg h LEU 116 N 1.09 0.89 -1.01 0.00 3.38 -0.86 -2.66 115.31 116.14 1mjg h LEU 116 Ca 0.34 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1mjg h LEU 116 Cb -0.01 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 1mjg h LEU 116 CO -0.10 1.11 0.66 0.03 0.09 0.00 0.00 178.44 180.24 1mjg h ARG 117 N 0.73 1.32 0.00 1.13 3.08 -0.02 -1.20 114.38 119.42 1mjg h ARG 117 Ca 0.08 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1mjg h ARG 117 Cb 0.84 -0.30 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1mjg h ARG 117 CO 0.07 0.88 0.00 0.66 -1.07 0.00 0.00 179.97 180.51 1mjg n TYR 118 N -4.38 0.00 0.27 3.04 4.01 -0.22 -2.01 117.16 117.87 1mjg n TYR 118 Ca 0.12 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 58.00 1mjg n TYR 118 Cb 0.01 -0.14 0.72 0.00 -0.31 0.00 0.00 39.34 39.62 1mjg n TYR 118 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1mjg h LEU 119 N 0.00 0.00 -2.01 7.72 3.38 -1.16 -1.47 115.31 121.76 1mjg h LEU 119 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mjg h LEU 119 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1mjg h LEU 119 CO 0.00 0.10 0.00 0.29 0.09 0.00 0.00 178.44 178.92 1mjg n LYS 120 N -3.41 2.32 -2.81 1.13 4.76 -0.85 -4.96 118.16 114.34 1mjg n LYS 120 Ca -0.01 -1.99 -0.38 0.00 -2.87 0.00 0.00 58.31 53.06 1mjg n LYS 120 Cb 0.27 -1.48 -0.06 0.00 -1.84 0.00 0.00 35.03 31.91 1mjg n LYS 120 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1mjg s TYR 121 N -1.60 3.83 0.02 2.13 5.04 -0.56 -4.93 117.35 121.29 1mjg s TYR 121 Ca 0.37 1.80 0.01 0.00 -2.44 0.00 0.00 57.07 56.81 1mjg s TYR 121 Cb 0.21 -2.91 -0.01 0.00 0.35 0.00 0.00 41.96 39.60 1mjg s TYR 121 CO 0.30 0.35 -0.05 0.15 -1.34 0.00 0.00 175.55 174.97 1mjg s LYS 122 N -1.60 0.36 0.46 4.97 1.02 -1.09 -5.00 119.74 118.85 1mjg s LYS 122 Ca 0.45 -0.43 0.21 0.00 0.02 0.00 0.00 55.97 56.22 1mjg s LYS 122 Cb -0.22 -0.19 1.21 0.00 -0.52 0.00 0.00 37.83 38.11 1mjg s LYS 122 CO 0.27 0.04 1.90 -1.00 -0.92 0.00 0.00 175.35 175.64 1mjg h PRO 123 N 5.26 0.25 0.00 -1.68 0.13 -2.01 0.15 132.00 134.10 1mjg h PRO 123 Ca -0.31 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1mjg h PRO 123 Cb 1.20 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1mjg h PRO 123 CO 0.45 0.17 -0.67 0.38 -0.23 0.00 0.00 178.00 178.10 1mjg h ASP 124 N 0.26 0.00 -3.03 1.44 3.04 -2.02 -3.41 116.42 112.70 1mjg h ASP 124 Ca 0.41 -0.03 -0.61 0.00 -3.24 0.00 0.00 57.03 53.56 1mjg h ASP 124 Cb 1.20 0.00 -0.40 0.00 -1.04 0.00 0.00 39.33 39.09 1mjg h ASP 124 CO -0.10 0.01 -0.75 -1.61 -2.04 0.00 0.00 179.24 174.75 1mjg s GLU 125 N -3.29 1.57 0.74 4.15 2.02 0.51 -5.12 118.70 119.28 1mjg s GLU 125 Ca 0.03 -2.49 -0.12 0.00 0.02 0.00 0.00 54.97 52.41 1mjg s GLU 125 Cb 0.09 -2.42 0.04 0.00 0.10 0.00 0.00 34.13 31.94 1mjg s GLU 125 CO 0.75 -1.27 1.11 -1.25 0.02 0.00 0.00 175.26 174.61 1mjg s PRO 126 N -0.34 2.32 0.24 0.39 0.04 -1.22 -2.68 135.00 133.75 1mjg s PRO 126 Ca 0.25 1.31 -0.03 0.00 0.04 0.00 0.00 61.00 62.56 1mjg s PRO 126 Cb -0.09 -1.90 0.26 0.00 0.04 0.00 0.00 34.50 32.82 1mjg s PRO 126 CO -0.11 -1.61 1.71 -0.07 0.04 0.00 0.00 177.00 176.96 1mjg h LEU 127 N -0.76 0.80 -8.52 -3.56 3.38 -1.91 -3.43 115.31 101.30 1mjg h LEU 127 Ca -0.45 -0.22 -0.51 0.00 0.09 0.00 0.00 57.88 56.79 1mjg h LEU 127 Cb 1.24 -0.21 -0.23 0.00 0.09 0.00 0.00 40.66 41.55 1mjg h LEU 127 CO 0.51 0.90 -0.81 -0.76 0.09 0.00 0.00 178.44 178.37 1mjg s LEU 128 N -9.11 2.23 0.64 1.67 1.43 -1.26 -5.16 118.68 109.13 1mjg s LEU 128 Ca -0.10 -0.58 -0.05 0.00 -1.03 0.00 0.00 54.13 52.37 1mjg s LEU 128 Cb 0.14 -0.78 0.04 0.00 0.03 0.00 0.00 46.19 45.62 1mjg s LEU 128 CO 0.82 0.05 0.93 -2.16 0.23 0.00 0.00 176.35 176.23 1mjg s PRO 129 N -1.52 2.52 0.62 1.29 0.04 -1.26 -4.86 135.00 131.84 1mjg s PRO 129 Ca 0.04 -0.24 -0.19 0.00 0.04 0.00 0.00 61.00 60.66 1mjg s PRO 129 Cb -0.09 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 32.17 1mjg s PRO 129 CO 0.03 -0.95 1.27 -2.14 0.04 0.00 0.00 177.00 175.24 1mjg s PRO 130 N -5.07 2.73 0.00 0.56 0.02 -1.26 -1.11 135.00 130.86 1mjg s PRO 130 Ca 0.57 2.00 0.32 0.00 0.02 0.00 0.00 61.00 63.91 1mjg s PRO 130 Cb -0.11 -1.90 1.81 0.00 0.02 0.00 0.00 34.50 34.32 1mjg s PRO 130 CO 0.44 -1.45 2.17 -0.35 -0.33 0.00 0.00 177.00 177.49 1mjg n PRO 131 N -1.74 1.05 -1.70 5.54 -0.04 -1.26 -5.10 135.00 131.74 1mjg n PRO 131 Ca 0.15 -0.10 -0.38 0.00 -0.04 0.00 0.00 63.50 63.13 1mjg n PRO 131 Cb 0.48 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.49 1mjg n PRO 131 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1mjg n TRP 132 N -0.89 1.85 -0.07 0.54 8.01 -0.27 -4.36 117.44 122.24 1mjg n TRP 132 Ca 0.23 0.44 -0.10 0.00 -1.31 0.00 0.00 57.50 56.76 1mjg n TRP 132 Cb 0.14 -2.29 -0.07 0.00 -2.01 0.00 0.00 31.31 27.08 1mjg n TRP 132 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 1mjg n THR 133 N -1.30 0.86 -4.67 -0.99 -2.24 0.66 -4.76 114.28 101.85 1mjg n THR 133 Ca 0.12 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1mjg n THR 133 Cb 0.45 -1.01 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 1mjg n THR 133 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mjg n GLY 134 N 2.74 1.70 3.74 3.38 0.00 -1.14 -4.53 105.19 111.08 1mjg n GLY 134 Ca -0.26 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 1mjg n GLY 134 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1mjg s PHE 135 N 0.00 2.91 -0.29 1.61 5.36 -1.26 -4.87 117.98 121.45 1mjg s PHE 135 Ca 0.00 0.87 -0.12 0.00 -0.96 0.00 0.00 56.93 56.72 1mjg s PHE 135 Cb 0.00 -3.94 -0.04 0.00 -0.34 0.00 0.00 43.02 38.70 1mjg s PHE 135 CO 0.00 -3.16 0.24 0.42 -1.46 0.00 0.00 175.22 171.26 1mjg s ILE 136 N 0.15 5.28 0.80 3.12 1.01 -1.26 -5.03 121.20 125.26 1mjg s ILE 136 Ca 0.62 0.19 -0.14 0.00 0.00 0.00 0.00 60.65 61.33 1mjg s ILE 136 Cb -0.45 -3.60 0.07 0.00 0.01 0.00 0.00 42.46 38.49 1mjg s ILE 136 CO 0.44 0.18 1.12 0.61 0.00 0.00 0.00 174.94 177.29 1mjg n GLY 137 N 4.99 -0.19 0.32 6.18 0.00 -1.26 -4.87 105.19 110.37 1mjg n GLY 137 Ca -0.13 -0.48 0.05 0.00 0.00 0.00 0.00 46.02 45.47 1mjg n GLY 137 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1mjg h ASP 138 N -0.84 0.72 -0.82 1.61 3.45 -1.05 -1.97 116.42 117.52 1mjg h ASP 138 Ca -0.46 0.06 0.19 0.00 0.43 0.00 0.00 57.03 57.24 1mjg h ASP 138 Cb 1.30 -0.08 -0.05 0.00 -0.56 0.00 0.00 39.33 39.94 1mjg h ASP 138 CO 0.45 0.38 0.55 -0.65 -1.57 0.00 0.00 179.24 178.40 1mjg h PRO 139 N 0.81 0.32 -0.07 3.56 0.11 -1.88 -0.83 132.00 134.01 1mjg h PRO 139 Ca 0.45 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.45 1mjg h PRO 139 Cb 0.48 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.52 1mjg h PRO 139 CO -0.28 0.21 -0.28 0.28 -0.21 0.00 0.00 178.00 177.72 1mjg h VAL 140 N 0.33 1.42 -0.56 3.15 2.07 -1.71 -0.32 116.25 120.62 1mjg h VAL 140 Ca 0.41 -1.67 0.06 0.00 0.82 0.00 0.00 66.70 66.33 1mjg h VAL 140 Cb 1.10 2.29 -0.05 0.00 -1.52 0.00 0.00 31.29 33.11 1mjg h VAL 140 CO -0.12 0.48 0.27 0.58 0.02 0.00 0.00 177.57 178.79 1mjg h VAL 141 N -0.17 0.90 -0.30 2.57 2.07 -1.21 -2.16 116.25 117.96 1mjg h VAL 141 Ca -0.01 -0.17 -0.14 0.00 0.82 0.00 0.00 66.70 67.19 1mjg h VAL 141 Cb 0.92 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1mjg h VAL 141 CO 0.06 0.09 -0.39 0.03 0.02 0.00 0.00 177.57 177.38 1mjg h ARG 142 N 0.50 0.70 -0.87 1.57 3.08 -1.21 -2.80 114.38 115.36 1mjg h ARG 142 Ca 0.26 -0.36 0.13 0.00 0.07 0.00 0.00 59.98 60.09 1mjg h ARG 142 Cb 0.21 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.18 1mjg h ARG 142 CO -0.21 0.97 0.48 -0.09 -1.07 0.00 0.00 179.97 180.05 1mjg h ARG 143 N 0.58 0.69 -0.48 0.04 2.43 -0.39 -1.83 114.38 115.42 1mjg h ARG 143 Ca 0.05 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1mjg h ARG 143 Cb 0.92 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 1mjg h ARG 143 CO 0.08 0.46 0.00 1.19 -1.51 0.00 0.00 179.97 180.19 1mjg n PHE 144 N -4.80 0.63 -0.23 2.20 3.72 -1.06 -4.38 117.46 113.53 1mjg n PHE 144 Ca 0.17 -0.31 -0.07 0.00 -0.05 0.00 0.00 57.45 57.18 1mjg n PHE 144 Cb 0.39 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.97 1mjg n PHE 144 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1mjg h GLY 145 N 4.59 1.01 1.82 1.37 0.00 -1.05 -2.52 103.07 108.28 1mjg h GLY 145 Ca 0.00 -0.53 0.02 0.00 0.00 0.00 0.00 47.33 46.82 1mjg h GLY 145 CO 0.00 0.50 0.07 1.19 0.00 0.00 0.00 176.54 178.30 1mjg h ILE 146 N 0.89 0.54 0.00 2.60 6.09 -1.76 0.59 117.51 126.45 1mjg h ILE 146 Ca 0.22 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.71 1mjg h ILE 146 Cb 0.17 0.94 0.00 0.00 0.47 0.00 0.00 36.82 38.40 1mjg h ILE 146 CO -0.02 0.00 -0.48 0.11 -3.07 0.00 0.00 178.15 174.69 1mjg h LYS 147 N 0.00 0.00 0.21 2.19 1.57 -1.75 -3.34 116.57 115.44 1mjg h LYS 147 Ca 0.03 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.48 1mjg h LYS 147 Cb 0.18 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.51 1mjg h LYS 147 CO -0.00 0.00 -1.59 0.52 -0.57 0.00 0.00 179.45 177.81 1mjg h MET 148 N 0.00 0.44 -0.57 3.15 2.86 -0.72 -0.09 114.93 120.00 1mjg h MET 148 Ca 0.00 -0.76 0.12 0.00 -2.06 0.00 0.00 59.70 57.01 1mjg h MET 148 Cb 0.77 0.28 -0.03 0.00 0.06 0.00 0.00 31.60 32.68 1mjg h MET 148 CO 0.00 1.36 0.39 -0.39 1.06 0.00 0.00 176.91 179.34 1mjg h VAL 149 N 0.08 0.82 -0.38 -2.22 -1.51 -1.57 -0.94 116.25 110.53 1mjg h VAL 149 Ca -0.30 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.08 1mjg h VAL 149 Cb 2.09 0.56 0.00 0.00 -2.13 0.00 0.00 31.29 31.81 1mjg h VAL 149 CO 0.21 0.04 0.00 -0.90 -1.23 0.00 0.00 177.57 175.69 1mjg n ASP 150 N -4.44 3.02 -1.57 4.19 3.85 -1.26 -4.82 116.55 115.51 1mjg n ASP 150 Ca 0.10 -1.96 -0.15 0.00 -0.71 0.00 0.00 54.79 52.07 1mjg n ASP 150 Cb 0.47 -0.25 -0.03 0.00 -1.35 0.00 0.00 41.12 39.96 1mjg n ASP 150 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 1mjg n TRP 151 N 0.72 -0.49 0.28 2.11 7.02 -0.36 -4.84 117.44 121.87 1mjg n TRP 151 Ca 0.13 0.00 0.15 0.00 -1.02 0.00 0.00 57.50 56.76 1mjg n TRP 151 Cb 0.45 -3.03 0.82 0.00 -2.42 0.00 0.00 31.31 27.12 1mjg n TRP 151 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 1mjg h THR 152 N 0.00 0.39 -3.44 -0.99 1.35 -1.30 -2.89 112.91 106.04 1mjg h THR 152 Ca -0.35 -0.41 -0.71 0.00 -0.55 0.00 0.00 66.41 64.40 1mjg h THR 152 Cb 1.18 1.29 -0.33 0.00 -1.73 0.00 0.00 68.15 68.57 1mjg h THR 152 CO 0.44 0.07 -0.43 -0.63 -0.25 0.00 0.00 175.52 174.72 1mjg s ILE 153 N -4.15 3.78 0.31 6.82 1.01 -0.73 -4.50 121.20 123.75 1mjg s ILE 153 Ca -0.03 -2.14 0.27 0.00 0.00 0.00 0.00 60.65 58.75 1mjg s ILE 153 Cb 0.13 -3.52 0.28 0.00 0.01 0.00 0.00 42.46 39.35 1mjg s ILE 153 CO 0.55 -0.77 1.99 1.55 0.00 0.00 0.00 174.94 178.26 1mjg h PRO 154 N 8.00 0.00 0.00 2.79 0.13 -1.66 -3.43 132.00 137.83 1mjg h PRO 154 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1mjg h PRO 154 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1mjg h PRO 154 CO 0.76 0.15 0.00 0.41 -0.23 0.00 0.00 178.00 179.10 1mjg n GLY 155 N -0.38 -1.18 3.15 1.56 0.00 -1.26 -4.73 105.19 102.36 1mjg n GLY 155 Ca -0.01 -0.78 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 1mjg n GLY 155 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mjg s GLU 156 N -0.01 1.28 -0.21 1.61 8.01 -0.05 -1.71 118.70 127.62 1mjg s GLU 156 Ca 0.00 -0.61 -0.00 0.00 0.01 0.00 0.00 54.97 54.37 1mjg s GLU 156 Cb 0.00 -1.25 0.02 0.00 -4.31 0.00 0.00 34.13 28.59 1mjg s GLU 156 CO 0.00 0.34 -0.13 0.00 0.01 0.00 0.00 175.26 175.48 1mjg s ALA 157 N -0.44 2.52 -0.47 5.21 0.00 0.10 -1.65 121.76 127.03 1mjg s ALA 157 Ca 0.06 -1.31 -0.13 0.00 0.00 0.00 0.00 51.96 50.58 1mjg s ALA 157 Cb -0.06 -1.42 0.09 0.00 0.00 0.00 0.00 23.12 21.73 1mjg s ALA 157 CO -0.00 -0.54 0.37 0.42 0.00 0.00 0.00 175.76 176.01 1mjg s ILE 158 N 1.31 4.80 -0.32 0.00 1.01 -0.42 -1.52 121.20 126.07 1mjg s ILE 158 Ca 0.03 -1.36 -0.17 0.00 0.00 0.00 0.00 60.65 59.15 1mjg s ILE 158 Cb -0.15 -3.97 -0.01 0.00 0.01 0.00 0.00 42.46 38.34 1mjg s ILE 158 CO -0.09 -0.65 0.46 -0.63 0.00 0.00 0.00 174.94 174.04 1mjg s ILE 159 N 1.53 5.08 -0.10 2.92 1.01 0.10 -0.38 121.20 131.35 1mjg s ILE 159 Ca 0.04 0.42 0.02 0.00 0.00 0.00 0.00 60.65 61.13 1mjg s ILE 159 Cb -0.25 -3.87 0.01 0.00 0.01 0.00 0.00 42.46 38.36 1mjg s ILE 159 CO 0.04 -0.08 -0.16 -0.22 0.00 0.00 0.00 174.94 174.51 1mjg s LEU 160 N 2.26 1.78 0.00 2.97 2.96 -0.30 -0.68 118.68 127.68 1mjg s LEU 160 Ca 0.17 -0.43 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 1mjg s LEU 160 Cb -0.16 -1.11 0.00 0.00 0.50 0.00 0.00 46.19 45.42 1mjg s LEU 160 CO 0.12 0.04 0.00 0.61 -1.32 0.00 0.00 176.35 175.80 1mjg n GLY 161 N 4.04 0.49 2.83 7.98 0.00 -0.81 -0.55 105.19 119.17 1mjg n GLY 161 Ca -0.20 -1.78 -0.17 0.00 0.00 0.00 0.00 46.02 43.87 1mjg n GLY 161 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1mjg s ARG 162 N 0.00 0.38 0.66 1.61 3.52 -0.13 -1.00 118.95 124.00 1mjg s ARG 162 Ca 0.00 0.04 -0.12 0.00 -0.13 0.00 0.00 55.73 55.52 1mjg s ARG 162 Cb 0.00 -0.53 -0.01 0.00 -1.56 0.00 0.00 34.95 32.85 1mjg s ARG 162 CO 0.00 -0.12 1.05 0.00 -0.81 0.00 0.00 175.30 175.42 1mjg s ALA 163 N 0.97 2.76 0.54 6.12 0.00 -1.26 -2.17 121.76 128.73 1mjg s ALA 163 Ca -0.10 0.10 0.31 0.00 0.00 0.00 0.00 51.96 52.27 1mjg s ALA 163 Cb -0.14 -3.17 1.48 0.00 0.00 0.00 0.00 23.12 21.30 1mjg s ALA 163 CO -0.01 -1.05 1.89 1.57 0.00 0.00 0.00 175.76 178.16 1mjg h LYS 164 N -0.45 0.00 -1.56 0.00 2.10 -1.99 -3.43 116.57 111.24 1mjg h LYS 164 Ca -0.44 0.00 0.10 0.00 -2.00 0.00 0.00 60.65 58.31 1mjg h LYS 164 Cb 1.21 0.00 -0.23 0.00 -0.90 0.00 0.00 32.23 32.31 1mjg h LYS 164 CO 0.58 0.00 0.58 0.16 -2.00 0.00 0.00 179.45 178.77 1mjg s ASP 165 N -5.63 -0.34 0.20 7.07 1.47 -1.26 -5.07 116.67 113.12 1mjg s ASP 165 Ca -0.05 0.34 -0.11 0.00 1.18 0.00 0.00 52.55 53.91 1mjg s ASP 165 Cb 0.21 0.28 0.26 0.00 -0.34 0.00 0.00 42.92 43.33 1mjg s ASP 165 CO 0.76 -0.33 1.70 0.28 0.68 0.00 0.00 175.17 178.26 1mjg h SER 166 N 2.47 -0.08 -0.13 2.11 0.02 -1.90 -2.46 113.55 113.58 1mjg h SER 166 Ca -0.17 0.12 0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1mjg h SER 166 Cb 1.17 0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.86 1mjg h SER 166 CO 0.30 -0.02 -0.04 0.11 -1.14 0.00 0.00 176.83 176.03 1mjg h LYS 167 N 0.20 -0.01 -0.57 3.45 1.79 -1.97 0.21 116.57 119.66 1mjg h LYS 167 Ca 0.30 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.84 1mjg h LYS 167 Cb 0.44 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.04 1mjg h LYS 167 CO -0.42 -0.01 0.25 0.00 -1.08 0.00 0.00 179.45 178.19 1mjg h ALA 168 N 1.12 0.74 -0.37 3.86 0.00 -1.91 -0.87 119.26 121.83 1mjg h ALA 168 Ca 0.07 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1mjg h ALA 168 Cb 0.12 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1mjg h ALA 168 CO -0.15 -0.14 0.12 1.25 0.00 0.00 0.00 179.25 180.34 1mjg h LEU 169 N 0.46 0.53 -1.32 0.00 5.85 -0.98 -2.52 115.31 117.32 1mjg h LEU 169 Ca 0.28 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.83 1mjg h LEU 169 Cb 0.28 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1mjg h LEU 169 CO -0.24 0.58 0.48 0.00 -0.34 0.00 0.00 178.44 178.91 1mjg h ALA 170 N 0.97 1.57 -0.20 1.25 0.00 -0.38 -0.46 119.26 122.01 1mjg h ALA 170 Ca 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1mjg h ALA 170 Cb 0.23 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1mjg h ALA 170 CO -0.01 0.36 0.08 -0.22 0.00 0.00 0.00 179.25 179.47 1mjg h LYS 171 N 0.89 0.30 -0.58 0.00 3.64 -0.89 0.04 116.57 119.98 1mjg h LYS 171 Ca 0.28 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 1mjg h LYS 171 Cb 0.04 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1mjg h LYS 171 CO -0.08 0.36 0.20 0.82 -2.27 0.00 0.00 179.45 178.48 1mjg h ILE 172 N 0.18 1.23 -0.37 2.00 2.04 -0.98 -2.22 117.51 119.40 1mjg h ILE 172 Ca 0.07 -0.77 -0.09 0.00 1.00 0.00 0.00 64.86 65.07 1mjg h ILE 172 Cb 0.17 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1mjg h ILE 172 CO -0.01 0.29 -0.14 0.58 0.00 0.00 0.00 178.15 178.88 1mjg h VAL 173 N 0.80 1.25 -0.47 1.67 2.07 -0.97 -0.66 116.25 119.94 1mjg h VAL 173 Ca 0.19 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.57 1mjg h VAL 173 Cb 0.25 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1mjg h VAL 173 CO -0.01 0.38 0.31 0.50 0.02 0.00 0.00 177.57 178.77 1mjg h LYS 174 N 0.59 0.63 -0.10 1.57 3.64 -0.71 0.25 116.57 122.45 1mjg h LYS 174 Ca 0.10 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1mjg h LYS 174 Cb 0.57 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1mjg h LYS 174 CO 0.04 0.42 0.04 1.49 -2.27 0.00 0.00 179.45 179.17 1mjg h GLU 175 N 0.64 0.15 -0.73 1.90 4.81 -1.05 -1.47 114.58 118.83 1mjg h GLU 175 Ca 0.17 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1mjg h GLU 175 Cb -0.07 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 1mjg h GLU 175 CO -0.04 0.25 0.48 -0.07 -0.73 0.00 0.00 179.01 178.91 1mjg h LEU 176 N 0.01 0.82 -1.26 1.64 3.38 -0.85 -1.39 115.31 117.67 1mjg h LEU 176 Ca 0.03 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1mjg h LEU 176 Cb 0.16 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1mjg h LEU 176 CO -0.00 0.58 -0.31 0.24 0.09 0.00 0.00 178.44 179.04 1mjg h MET 177 N 0.97 0.00 0.00 1.13 2.86 -0.86 -1.66 114.93 117.36 1mjg h MET 177 Ca 0.28 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.86 1mjg h MET 177 Cb -0.07 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 1mjg h MET 177 CO -0.07 0.31 -0.27 0.78 1.06 0.00 0.00 176.91 178.71 1mjg h GLY 178 N 1.54 0.00 -1.48 8.32 0.00 -0.17 -2.42 103.07 108.86 1mjg h GLY 178 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1mjg h GLY 178 CO 0.04 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.61 1mjg n MET 179 N -3.59 2.11 -0.88 4.80 2.81 -0.81 -4.70 117.12 116.86 1mjg n MET 179 Ca -0.01 -1.64 0.00 0.00 -1.81 0.00 0.00 57.70 54.24 1mjg n MET 179 Cb 0.41 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.45 1mjg n MET 179 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1mjg n GLY 180 N 1.31 0.50 3.77 3.03 0.00 -0.91 -4.44 105.19 108.44 1mjg n GLY 180 Ca 0.17 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 1mjg n GLY 180 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mjg s PHE 181 N -2.00 2.78 -0.04 1.61 0.40 -0.69 -4.13 117.98 115.91 1mjg s PHE 181 Ca 0.00 1.45 -0.22 0.00 -0.60 0.00 0.00 56.93 57.57 1mjg s PHE 181 Cb 0.00 -3.59 -0.05 0.00 0.51 0.00 0.00 43.02 39.90 1mjg s PHE 181 CO 0.00 -1.97 0.63 1.41 0.70 0.00 0.00 175.22 175.99 1mjg s MET 182 N -2.45 4.38 0.04 0.44 -2.45 -0.70 -4.69 119.30 113.87 1mjg s MET 182 Ca 0.61 0.77 0.07 0.00 -1.25 0.00 0.00 55.69 55.89 1mjg s MET 182 Cb -0.35 -3.40 -0.03 0.00 1.25 0.00 0.00 34.83 32.30 1mjg s MET 182 CO 0.44 0.22 -0.20 -0.51 1.05 0.00 0.00 175.02 176.03 1mjg s LEU 183 N 0.30 2.53 -0.11 4.11 1.43 -0.38 -0.72 118.68 125.84 1mjg s LEU 183 Ca 0.33 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.97 1mjg s LEU 183 Cb -0.18 -1.48 0.03 0.00 0.03 0.00 0.00 46.19 44.59 1mjg s LEU 183 CO 0.17 0.25 -0.07 -0.36 0.23 0.00 0.00 176.35 176.58 1mjg s PHE 184 N -0.91 1.44 -0.05 0.29 0.40 -0.58 -0.28 117.98 118.30 1mjg s PHE 184 Ca 0.14 -0.73 0.06 0.00 -0.60 0.00 0.00 56.93 55.80 1mjg s PHE 184 Cb -0.10 -1.21 -0.02 0.00 0.51 0.00 0.00 43.02 42.20 1mjg s PHE 184 CO 0.05 -0.51 -0.22 0.42 0.70 0.00 0.00 175.22 175.66 1mjg s ILE 185 N 1.72 2.40 -0.01 0.64 1.09 -0.00 0.01 121.20 127.05 1mjg s ILE 185 Ca 0.05 -0.96 0.00 0.00 -1.10 0.00 0.00 60.65 58.64 1mjg s ILE 185 Cb -0.13 -1.89 0.01 0.00 -1.06 0.00 0.00 42.46 39.39 1mjg s ILE 185 CO -0.08 0.58 -0.01 0.00 -0.10 0.00 0.00 174.94 175.33 1mjg n ASP 187 N 3.28 0.00 -0.09 0.00 8.00 0.14 -1.92 116.55 125.96 1mjg n ASP 187 Ca -0.15 0.00 0.26 0.00 0.71 0.00 0.00 54.79 55.61 1mjg n ASP 187 Cb 0.58 0.00 0.65 0.00 -0.02 0.00 0.00 41.12 42.33 1mjg n ASP 187 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1mjg h GLU 188 N 0.00 0.00 -0.68 -1.24 3.07 -1.86 0.17 114.58 114.03 1mjg h GLU 188 Ca 0.00 0.00 0.16 0.00 -0.50 0.00 0.00 59.36 59.02 1mjg h GLU 188 Cb 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.87 1mjg h GLU 188 CO 0.00 0.00 0.47 0.00 -1.40 0.00 0.00 179.01 178.08 1mjg h ALA 189 N 1.17 2.35 0.38 3.43 0.00 -1.25 -0.50 119.26 124.84 1mjg h ALA 189 Ca 0.36 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1mjg h ALA 189 Cb 1.91 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1mjg h ALA 189 CO -0.00 -0.55 -0.18 0.28 0.00 0.00 0.00 179.25 178.80 1mjg h VAL 190 N 0.20 0.63 -0.27 0.00 2.07 -0.92 -2.07 116.25 115.89 1mjg h VAL 190 Ca 0.33 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.61 1mjg h VAL 190 Cb 1.02 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1mjg h VAL 190 CO -0.06 0.04 -0.07 -0.33 0.02 0.00 0.00 177.57 177.17 1mjg h GLU 191 N -0.62 0.44 -0.41 1.57 3.07 -1.44 -1.57 114.58 115.62 1mjg h GLU 191 Ca -0.05 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.36 58.70 1mjg h GLU 191 Cb 0.45 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.28 1mjg h GLU 191 CO 0.09 0.52 0.23 1.96 -1.40 0.00 0.00 179.01 180.40 1mjg h GLN 192 N 0.41 0.57 -0.48 2.33 4.20 -1.00 -0.14 115.11 121.00 1mjg h GLN 192 Ca 0.09 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.66 1mjg h GLN 192 Cb 0.38 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1mjg h GLN 192 CO 0.02 0.45 0.00 -0.07 -0.67 0.00 0.00 178.83 178.56 1mjg h LEU 193 N 0.53 0.82 -1.10 1.46 3.38 -1.03 -2.57 115.31 116.80 1mjg h LEU 193 Ca 0.14 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 1mjg h LEU 193 Cb 0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1mjg h LEU 193 CO -0.02 0.93 -0.01 -0.07 0.09 0.00 0.00 178.44 179.36 1mjg h LEU 194 N 0.69 0.59 -1.24 1.67 3.38 -1.11 -1.58 115.31 117.72 1mjg h LEU 194 Ca 0.13 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1mjg h LEU 194 Cb 0.50 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1mjg h LEU 194 CO 0.02 0.67 -0.10 -0.08 0.09 0.00 0.00 178.44 179.05 1mjg h GLU 195 N 0.59 0.40 -0.36 1.13 4.81 -0.83 -1.66 114.58 118.66 1mjg h GLU 195 Ca 0.12 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1mjg h GLU 195 Cb 0.39 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1mjg h GLU 195 CO 0.01 0.51 0.00 0.39 -0.73 0.00 0.00 179.01 179.19 1mjg n GLU 196 N -4.25 1.71 -2.88 1.92 -0.58 -0.82 -4.90 120.64 110.84 1mjg n GLU 196 Ca 0.00 -0.92 -0.21 0.00 -0.42 0.00 0.00 57.16 55.61 1mjg n GLU 196 Cb 0.28 -1.29 0.02 0.00 -0.57 0.00 0.00 31.44 29.87 1mjg n GLU 196 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1mjg n ASN 197 N 0.22 -5.54 -4.73 1.62 4.13 -0.63 -4.96 115.26 105.38 1mjg n ASN 197 Ca 0.08 -0.20 -0.41 0.00 1.68 0.00 0.00 54.58 55.74 1mjg n ASN 197 Cb 0.27 -4.53 -0.04 0.00 -1.54 0.00 0.00 39.78 33.94 1mjg n ASN 197 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1mjg s VAL 198 N -3.06 4.58 -0.10 2.41 1.01 -0.66 -4.99 120.40 119.59 1mjg s VAL 198 Ca 0.22 1.98 -0.30 0.00 0.00 0.00 0.00 61.98 63.89 1mjg s VAL 198 Cb -0.10 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 1mjg s VAL 198 CO 0.28 0.31 1.31 -0.54 0.00 0.00 0.00 175.10 176.46 1mjg s LYS 199 N 0.07 4.26 0.21 2.72 3.01 -1.26 -4.59 119.74 124.16 1mjg s LYS 199 Ca 0.46 1.77 0.06 0.00 -1.01 0.00 0.00 55.97 57.25 1mjg s LYS 199 Cb -0.23 -3.71 -0.05 0.00 -1.01 0.00 0.00 37.83 32.83 1mjg s LYS 199 CO 0.28 -0.64 -0.11 -0.51 0.51 0.00 0.00 175.35 174.89 1mjg s LEU 200 N 3.09 2.50 0.00 3.17 1.43 -1.26 -4.92 118.68 122.68 1mjg s LEU 200 Ca 0.58 -1.07 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 1mjg s LEU 200 Cb -0.25 -0.55 0.00 0.00 0.03 0.00 0.00 46.19 45.42 1mjg s LEU 200 CO 0.20 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 177.12 1mjg n GLY 201 N -0.38 2.46 0.27 -3.19 0.00 0.16 -4.81 105.19 99.69 1mjg n GLY 201 Ca -0.08 -1.91 -0.00 0.00 0.00 0.00 0.00 46.02 44.03 1mjg n GLY 201 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1mjg h ILE 202 N 1.49 0.94 0.00 -0.61 2.04 -1.82 -1.46 117.51 118.09 1mjg h ILE 202 Ca 0.00 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1mjg h ILE 202 Cb 0.00 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.26 1mjg h ILE 202 CO 0.00 0.13 0.00 0.47 0.00 0.00 0.00 178.15 178.75 1mjg n ASP 203 N -4.79 0.22 -0.72 1.72 8.00 -1.26 -2.25 116.55 117.48 1mjg n ASP 203 Ca 0.10 0.56 0.07 0.00 0.71 0.00 0.00 54.79 56.23 1mjg n ASP 203 Cb 0.21 -0.61 0.15 0.00 -0.02 0.00 0.00 41.12 40.85 1mjg n ASP 203 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1mjg n TYR 204 N -1.75 0.38 -2.42 1.24 4.01 -0.57 -4.30 117.16 113.75 1mjg n TYR 204 Ca 0.03 -0.33 -0.15 0.00 -0.16 0.00 0.00 57.90 57.28 1mjg n TYR 204 Cb 0.17 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.17 1mjg n TYR 204 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1mjg n ILE 205 N 0.77 -0.69 -3.70 -0.72 5.41 -0.95 -4.53 119.36 114.95 1mjg n ILE 205 Ca 0.12 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.58 1mjg n ILE 205 Cb 0.43 -2.09 -0.14 0.00 -0.71 0.00 0.00 39.64 37.12 1mjg n ILE 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1mjg s ALA 206 N -2.73 1.58 -0.42 -1.39 0.00 -1.07 -1.25 121.76 116.49 1mjg s ALA 206 Ca 0.00 -1.87 -0.21 0.00 0.00 0.00 0.00 51.96 49.88 1mjg s ALA 206 Cb 0.00 -1.67 0.02 0.00 0.00 0.00 0.00 23.12 21.47 1mjg s ALA 206 CO 0.00 -1.79 0.67 0.71 0.00 0.00 0.00 175.76 175.35 1mjg s TYR 207 N 1.31 3.07 -0.69 0.00 2.02 0.62 0.36 117.35 124.04 1mjg s TYR 207 Ca 0.12 0.11 -0.26 0.00 -0.37 0.00 0.00 57.07 56.66 1mjg s TYR 207 Cb -0.19 -3.36 0.04 0.00 -0.40 0.00 0.00 41.96 38.04 1mjg s TYR 207 CO -0.18 -0.83 1.20 -2.14 -1.57 0.00 0.00 175.55 172.04 1mjg s PRO 208 N 2.89 3.24 0.07 -1.71 0.02 -1.26 -0.82 135.00 137.43 1mjg s PRO 208 Ca 0.25 -0.25 -0.19 0.00 0.02 0.00 0.00 61.00 60.83 1mjg s PRO 208 Cb -0.14 -4.15 -0.10 0.00 0.02 0.00 0.00 34.50 30.13 1mjg s PRO 208 CO 0.19 -1.99 1.47 -0.07 -0.33 0.00 0.00 177.00 176.26 1mjg h LEU 209 N 12.51 0.42 0.00 -5.54 4.07 -1.15 0.19 115.31 125.81 1mjg h LEU 209 Ca -0.28 -0.36 0.00 0.00 0.08 0.00 0.00 57.88 57.33 1mjg h LEU 209 Cb 1.06 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.68 1mjg h LEU 209 CO 1.24 0.67 0.00 0.61 -1.08 0.00 0.00 178.44 179.89 1mjg n GLY 210 N -0.18 0.55 3.33 0.83 0.00 -1.25 -2.88 105.19 105.60 1mjg n GLY 210 Ca -0.04 -1.06 -0.18 0.00 0.00 0.00 0.00 46.02 44.74 1mjg n GLY 210 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mjg s ASN 211 N -4.00 1.43 0.57 1.61 0.02 -1.26 0.27 114.94 113.58 1mjg s ASN 211 Ca 0.00 -1.52 0.00 0.00 -1.02 0.00 0.00 52.86 50.32 1mjg s ASN 211 Cb 0.00 0.34 0.00 0.00 0.02 0.00 0.00 41.25 41.61 1mjg s ASN 211 CO 0.00 -0.85 0.00 0.33 0.02 0.00 0.00 177.10 176.60 1mjg n PHE 212 N -0.55 0.00 0.18 2.20 7.35 -1.26 -0.88 117.46 124.49 1mjg n PHE 212 Ca 0.01 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.82 1mjg n PHE 212 Cb 0.65 0.00 0.64 0.00 0.35 0.00 0.00 39.48 41.12 1mjg n PHE 212 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 1mjg h THR 213 N 0.00 0.00 0.00 -2.13 1.35 -1.98 -2.32 112.91 107.83 1mjg h THR 213 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1mjg h THR 213 Cb 0.00 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 66.94 1mjg h THR 213 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1mjg n GLN 214 N -2.32 0.08 0.20 4.72 3.00 -0.06 -1.80 117.38 121.19 1mjg n GLN 214 Ca -0.02 0.52 0.15 0.00 -0.01 0.00 0.00 57.00 57.65 1mjg n GLN 214 Cb 0.04 -1.73 0.78 0.00 0.00 0.00 0.00 30.24 29.34 1mjg n GLN 214 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.06 178.03 1mjg h ILE 215 N 0.00 0.64 0.00 5.09 6.09 -1.60 -1.34 117.51 126.39 1mjg h ILE 215 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1mjg h ILE 215 Cb 0.07 0.89 0.00 0.00 0.47 0.00 0.00 36.82 38.25 1mjg h ILE 215 CO 0.00 0.00 0.00 0.58 -3.07 0.00 0.00 178.15 175.66 1mjg h VAL 216 N 0.00 0.00 0.00 2.19 2.07 -1.63 -2.29 116.25 116.59 1mjg h VAL 216 Ca 0.08 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1mjg h VAL 216 Cb 0.37 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1mjg h VAL 216 CO -0.00 0.00 0.00 1.41 0.02 0.00 0.00 177.57 179.00 1mjg n HIS 217 N -2.52 0.00 -0.02 1.57 8.25 -0.50 -0.63 115.22 121.38 1mjg n HIS 217 Ca -0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 1mjg n HIS 217 Cb 0.16 -0.17 -0.14 0.00 1.12 0.00 0.00 29.99 30.96 1mjg n HIS 217 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1mjg n ALA 218 N -1.17 0.97 0.17 -1.41 0.00 -0.86 -3.61 120.51 114.59 1mjg n ALA 218 Ca 0.12 -0.67 -0.14 0.00 0.00 0.00 0.00 53.44 52.75 1mjg n ALA 218 Cb 0.12 -0.59 -0.08 0.00 0.00 0.00 0.00 19.45 18.90 1mjg n ALA 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mjg h ALA 219 N 0.07 -0.41 0.00 0.00 0.00 -1.26 -1.47 119.26 116.18 1mjg h ALA 219 Ca -0.45 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1mjg h ALA 219 Cb 2.02 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.96 1mjg h ALA 219 CO 0.06 -0.62 0.00 -2.95 0.00 0.00 0.00 179.25 175.75 1mjg h ASN 220 N -0.64 0.00 0.04 0.00 7.08 -1.07 -1.12 115.58 119.87 1mjg h ASN 220 Ca -0.04 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.18 1mjg h ASN 220 Cb 0.45 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.69 1mjg h ASN 220 CO 0.07 0.00 -0.02 0.22 -2.08 0.00 0.00 177.43 175.62 1mjg h TYR 221 N 0.00 -0.05 0.01 4.14 5.03 -1.57 -3.11 116.97 121.42 1mjg h TYR 221 Ca 0.00 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.32 1mjg h TYR 221 Cb 0.27 0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.55 1mjg h TYR 221 CO 0.00 0.57 -0.09 0.00 -1.32 0.00 0.00 178.16 177.32 1mjg h ALA 222 N -0.23 -0.11 0.00 1.82 0.00 -0.89 -2.64 119.26 117.21 1mjg h ALA 222 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1mjg h ALA 222 Cb 0.65 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1mjg h ALA 222 CO 0.01 -0.59 -0.00 -0.07 0.00 0.00 0.00 179.25 178.60 1mjg h LEU 223 N -0.16 0.00 -1.06 0.00 3.38 -1.36 -1.49 115.31 114.62 1mjg h LEU 223 Ca 0.03 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1mjg h LEU 223 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1mjg h LEU 223 CO -0.08 0.00 -0.46 0.03 0.09 0.00 0.00 178.44 178.02 1mjg h ARG 224 N 0.00 0.00 -0.68 1.13 3.08 -1.39 -3.09 114.38 113.43 1mjg h ARG 224 Ca -0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.13 1mjg h ARG 224 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 29.98 1mjg h ARG 224 CO 0.00 0.46 0.34 0.00 -1.07 0.00 0.00 179.97 179.70 1mjg h ALA 225 N 1.54 0.92 -0.33 0.04 0.00 -1.29 0.24 119.26 120.38 1mjg h ALA 225 Ca -0.00 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1mjg h ALA 225 Cb 0.84 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1mjg h ALA 225 CO 0.06 -0.05 -0.18 0.78 0.00 0.00 0.00 179.25 179.86 1mjg h GLY 226 N 0.59 0.66 2.00 0.00 0.00 -1.66 -1.87 103.07 102.78 1mjg h GLY 226 Ca 0.33 -0.51 -0.20 0.00 0.00 0.00 0.00 47.33 46.95 1mjg h GLY 226 CO -0.25 0.47 -0.94 -0.33 0.00 0.00 0.00 176.54 175.48 1mjg h MET 227 N 0.55 0.00 0.00 4.80 2.07 -1.41 -0.69 114.93 120.24 1mjg h MET 227 Ca 0.09 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.72 1mjg h MET 227 Cb 0.61 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.34 1mjg h MET 227 CO 0.04 0.94 0.00 -1.33 1.07 0.00 0.00 176.91 177.63 1mjg n MET 228 N -3.38 0.00 -0.06 1.72 2.81 0.80 -3.65 117.12 115.35 1mjg n MET 228 Ca 0.00 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.80 1mjg n MET 228 Cb 0.90 -0.18 -0.02 0.00 -0.71 0.00 0.00 33.22 33.21 1mjg n MET 228 CO 0.00 0.00 0.00 0.74 1.51 0.00 0.00 175.97 178.22 1mjg h PHE 229 N 0.00 0.24 0.00 2.03 0.04 -1.53 -2.81 116.94 114.91 1mjg h PHE 229 Ca 0.00 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1mjg h PHE 229 Cb 0.00 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.08 1mjg h PHE 229 CO 0.00 0.14 0.00 0.78 -0.60 0.00 0.00 178.31 178.63 1mjg h GLY 230 N 0.27 0.00 -1.05 -1.45 0.00 -1.10 -3.34 103.07 96.39 1mjg h GLY 230 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 47.02 1mjg h GLY 230 CO -0.06 0.00 -0.38 0.61 0.00 0.00 0.00 176.54 176.71 1mjg n GLY 231 N -0.05 1.82 3.72 4.60 0.00 -0.72 -4.81 105.19 109.74 1mjg n GLY 231 Ca 0.00 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1mjg n GLY 231 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mjg s VAL 232 N -2.76 3.40 0.17 1.61 1.01 -0.35 -4.94 120.40 118.54 1mjg s VAL 232 Ca 0.00 1.04 -0.32 0.00 0.00 0.00 0.00 61.98 62.70 1mjg s VAL 232 Cb 0.00 -3.67 -0.12 0.00 0.00 0.00 0.00 36.38 32.59 1mjg s VAL 232 CO 0.00 0.10 1.74 0.41 0.00 0.00 0.00 175.10 177.35 1mjg n THR 233 N 3.59 0.12 -1.72 3.92 -1.04 -1.26 -4.42 114.28 113.47 1mjg n THR 233 Ca 0.10 -0.02 -0.42 0.00 -2.04 0.00 0.00 64.05 61.66 1mjg n THR 233 Cb 0.43 -1.96 -0.03 0.00 -1.82 0.00 0.00 70.33 66.95 1mjg n THR 233 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1mjg n PRO 234 N 4.45 2.79 0.00 -2.82 -0.02 -1.26 -1.72 135.00 136.41 1mjg n PRO 234 Ca 0.17 1.01 0.00 0.00 -2.02 0.00 0.00 63.50 62.66 1mjg n PRO 234 Cb 0.35 -2.86 0.00 0.00 -0.02 0.00 0.00 33.50 30.97 1mjg n PRO 234 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mjg n GLY 235 N 3.99 3.01 2.92 -1.23 0.00 0.06 -4.43 105.19 109.51 1mjg n GLY 235 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1mjg n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mjg n ALA 236 N -1.99 5.10 -0.33 4.61 0.00 -0.70 -4.55 120.51 122.65 1mjg n ALA 236 Ca 0.00 -3.88 -0.00 0.00 0.00 0.00 0.00 53.44 49.56 1mjg n ALA 236 Cb 0.00 -3.55 0.06 0.00 0.00 0.00 0.00 19.45 15.96 1mjg n ALA 236 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1mjg h ARG 237 N 6.35 -0.03 -0.01 0.00 2.43 -1.79 -1.34 114.38 119.99 1mjg h ARG 237 Ca 0.54 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.73 1mjg h ARG 237 Cb 0.69 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 1mjg h ARG 237 CO 1.79 -0.02 -0.10 0.93 -1.51 0.00 0.00 179.97 181.06 1mjg h GLU 238 N -0.04 -0.17 -0.78 0.20 4.39 -1.92 -1.76 114.58 114.51 1mjg h GLU 238 Ca 0.35 0.01 0.01 0.00 0.34 0.00 0.00 59.36 60.07 1mjg h GLU 238 Cb 0.61 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.26 1mjg h GLU 238 CO -0.91 -0.11 0.51 0.93 -1.16 0.00 0.00 179.01 178.27 1mjg h GLU 239 N -0.17 1.03 -0.13 2.33 5.08 -1.77 -1.09 114.58 119.86 1mjg h GLU 239 Ca 0.04 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1mjg h GLU 239 Cb 0.23 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1mjg h GLU 239 CO -0.11 0.68 0.06 1.96 -1.00 0.00 0.00 179.01 180.61 1mjg h GLN 240 N 1.05 0.18 -0.68 2.33 1.08 -1.07 -0.36 115.11 117.64 1mjg h GLN 240 Ca 0.28 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.45 1mjg h GLN 240 Cb -0.11 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.25 1mjg h GLN 240 CO -0.06 0.22 0.38 0.00 -0.95 0.00 0.00 178.83 178.42 1mjg h ARG 241 N 0.09 0.95 -0.75 1.46 3.08 -1.13 -0.77 114.38 117.30 1mjg h ARG 241 Ca 0.04 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1mjg h ARG 241 Cb 0.10 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 1mjg h ARG 241 CO -0.01 0.71 0.42 0.22 -1.07 0.00 0.00 179.97 180.24 1mjg h ASP 242 N 0.94 0.93 -0.75 7.04 3.58 -1.01 -0.49 116.42 126.66 1mjg h ASP 242 Ca 0.24 -0.09 -0.05 0.00 0.42 0.00 0.00 57.03 57.55 1mjg h ASP 242 Cb 0.03 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 40.81 1mjg h ASP 242 CO -0.04 0.76 0.28 0.22 -2.88 0.00 0.00 179.24 177.58 1mjg h TYR 243 N 1.04 1.16 0.17 0.28 5.03 -0.49 -2.01 116.97 122.15 1mjg h TYR 243 Ca 0.27 -0.10 -0.01 0.00 2.58 0.00 0.00 58.73 61.47 1mjg h TYR 243 Cb 0.02 -0.34 0.00 0.00 1.55 0.00 0.00 36.73 37.96 1mjg h TYR 243 CO -0.00 0.89 -0.08 1.96 -1.32 0.00 0.00 178.16 179.61 1mjg h GLN 244 N 1.09 -0.22 -0.80 1.82 1.08 -0.61 0.05 115.11 117.53 1mjg h GLN 244 Ca 0.25 0.01 0.10 0.00 -1.45 0.00 0.00 58.65 57.56 1mjg h GLN 244 Cb 0.24 0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.66 1mjg h GLN 244 CO -0.02 -0.05 0.52 -0.09 -0.95 0.00 0.00 178.83 178.24 1mjg h ARG 245 N -0.34 0.72 0.09 1.46 9.65 -0.96 -0.59 114.38 124.40 1mjg h ARG 245 Ca -0.02 -0.04 -0.31 0.00 -1.10 0.00 0.00 59.98 58.50 1mjg h ARG 245 Cb 0.26 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.66 1mjg h ARG 245 CO 0.04 0.47 -1.65 0.00 2.80 0.00 0.00 179.97 181.64 1mjg h ARG 246 N 0.74 0.18 0.00 0.20 3.08 -1.21 -3.43 114.38 113.95 1mjg h ARG 246 Ca 0.37 -0.31 -0.20 0.00 0.07 0.00 0.00 59.98 59.90 1mjg h ARG 246 Cb 0.44 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.57 1mjg h ARG 246 CO -0.14 0.98 -1.78 0.54 -1.07 0.00 0.00 179.97 178.50 1mjg n ARG 247 N -3.36 2.06 -3.20 0.04 3.00 -0.01 -4.82 116.66 110.38 1mjg n ARG 247 Ca -0.19 -0.01 -0.45 0.00 -0.01 0.00 0.00 57.85 57.19 1mjg n ARG 247 Cb 1.04 -1.30 -0.01 0.00 0.00 0.00 0.00 32.46 32.19 1mjg n ARG 247 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1mjg s ILE 248 N -2.30 5.45 -1.27 0.55 -1.09 -0.24 -4.94 121.20 117.37 1mjg s ILE 248 Ca -0.06 -2.53 -0.16 0.00 -2.23 0.00 0.00 60.65 55.67 1mjg s ILE 248 Cb 0.04 -4.62 -0.01 0.00 -1.58 0.00 0.00 42.46 36.28 1mjg s ILE 248 CO 0.47 -1.24 2.13 0.54 -1.23 0.00 0.00 174.94 175.62 1mjg n ARG 249 N 4.43 2.48 -4.13 2.79 1.74 -1.26 -4.68 116.66 118.03 1mjg n ARG 249 Ca 0.21 -2.41 -0.26 0.00 -0.77 0.00 0.00 57.85 54.62 1mjg n ARG 249 Cb 0.45 -3.20 -0.06 0.00 -1.02 0.00 0.00 32.46 28.63 1mjg n ARG 249 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mjg s ALA 250 N 3.78 3.45 0.07 7.54 0.00 -1.26 -0.88 121.76 134.46 1mjg s ALA 250 Ca 0.50 -1.30 -0.08 0.00 0.00 0.00 0.00 51.96 51.09 1mjg s ALA 250 Cb 0.14 -1.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.03 1mjg s ALA 250 CO -0.03 0.46 0.16 -0.59 0.00 0.00 0.00 175.76 175.76 1mjg s PHE 251 N -1.80 0.19 -0.16 0.00 -0.12 -0.66 -4.25 117.98 111.18 1mjg s PHE 251 Ca 0.30 -0.59 -0.02 0.00 -0.05 0.00 0.00 56.93 56.56 1mjg s PHE 251 Cb -0.09 -0.10 -0.02 0.00 -0.63 0.00 0.00 43.02 42.18 1mjg s PHE 251 CO 0.22 -0.50 -0.07 0.08 -0.05 0.00 0.00 175.22 174.90 1mjg s VAL 252 N -3.61 3.48 -0.53 -2.49 1.01 -0.26 -1.30 120.40 116.70 1mjg s VAL 252 Ca 0.03 -0.50 -0.14 0.00 0.00 0.00 0.00 61.98 61.38 1mjg s VAL 252 Cb 0.04 -2.52 0.13 0.00 0.00 0.00 0.00 36.38 34.04 1mjg s VAL 252 CO -0.10 0.49 0.46 -0.76 0.00 0.00 0.00 175.10 175.20 1mjg s LEU 253 N 0.58 6.05 -0.65 3.92 1.43 0.48 -0.34 118.68 130.17 1mjg s LEU 253 Ca -0.05 -1.89 -0.22 0.00 -1.03 0.00 0.00 54.13 50.95 1mjg s LEU 253 Cb -0.15 -2.14 0.08 0.00 0.03 0.00 0.00 46.19 44.01 1mjg s LEU 253 CO 0.03 -0.79 0.90 -0.47 0.23 0.00 0.00 176.35 176.25 1mjg s TYR 254 N 1.44 2.77 -0.10 0.29 6.14 0.08 -1.15 117.35 126.81 1mjg s TYR 254 Ca 0.05 -0.68 -0.03 0.00 0.64 0.00 0.00 57.07 57.05 1mjg s TYR 254 Cb -0.28 -4.22 -0.03 0.00 0.42 0.00 0.00 41.96 37.84 1mjg s TYR 254 CO 0.01 -1.56 0.01 -0.51 0.64 0.00 0.00 175.55 174.15 1mjg s LEU 255 N 3.68 3.64 0.00 6.97 1.43 0.29 -2.49 118.68 132.19 1mjg s LEU 255 Ca 0.20 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 1mjg s LEU 255 Cb -0.18 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.19 1mjg s LEU 255 CO 0.09 0.36 0.00 0.61 0.23 0.00 0.00 176.35 177.63 1mjg n GLY 256 N 2.29 -0.74 3.59 -3.19 0.00 -0.92 -0.95 105.19 105.27 1mjg n GLY 256 Ca -0.19 -1.72 -0.46 0.00 0.00 0.00 0.00 46.02 43.65 1mjg n GLY 256 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1mjg n GLU 257 N -0.71 1.30 -2.74 1.61 2.13 -1.26 -4.81 120.64 116.17 1mjg n GLU 257 Ca 0.00 0.46 -0.28 0.00 0.66 0.00 0.00 57.16 58.01 1mjg n GLU 257 Cb 0.00 -1.90 -0.01 0.00 0.27 0.00 0.00 31.44 29.81 1mjg n GLU 257 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1mjg s HIS 258 N -0.64 3.54 -0.02 4.31 3.76 -1.26 -4.96 115.29 120.02 1mjg s HIS 258 Ca 0.65 0.81 -0.06 0.00 -0.15 0.00 0.00 55.06 56.30 1mjg s HIS 258 Cb -0.76 -2.28 0.01 0.00 1.11 0.00 0.00 32.58 30.65 1mjg s HIS 258 CO 0.56 -0.21 0.14 0.16 -0.85 0.00 0.00 174.74 174.54 1mjg s ASP 259 N -3.94 -0.04 0.38 1.40 -4.77 -1.26 -5.06 116.67 103.37 1mjg s ASP 259 Ca 0.47 -0.00 0.17 0.00 -3.30 0.00 0.00 52.55 49.89 1mjg s ASP 259 Cb -0.10 0.25 1.09 0.00 -1.09 0.00 0.00 42.92 43.07 1mjg s ASP 259 CO 0.42 -0.24 1.72 0.00 0.70 0.00 0.00 175.17 177.77 1mjg h MET 260 N 4.96 0.37 -0.21 2.11 -0.00 -1.98 -1.26 114.93 118.93 1mjg h MET 260 Ca -0.28 -0.02 -0.12 0.00 -0.00 0.00 0.00 59.70 59.28 1mjg h MET 260 Cb 1.20 -0.08 -0.00 0.00 -0.00 0.00 0.00 31.60 32.71 1mjg h MET 260 CO 0.41 0.25 -0.32 0.28 -0.00 0.00 0.00 176.91 177.52 1mjg h VAL 261 N 0.38 1.33 -0.58 -0.10 2.07 -1.88 -0.94 116.25 116.53 1mjg h VAL 261 Ca 0.66 -1.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.62 1mjg h VAL 261 Cb 1.62 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 33.17 1mjg h VAL 261 CO -0.41 0.47 0.26 0.11 0.02 0.00 0.00 177.57 178.03 1mjg h LYS 262 N 0.27 0.84 -0.50 1.57 1.57 -1.75 0.22 116.57 118.80 1mjg h LYS 262 Ca 0.02 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1mjg h LYS 262 Cb 0.91 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 1mjg h LYS 262 CO 0.07 0.70 0.29 1.15 -0.57 0.00 0.00 179.45 181.09 1mjg h THR 263 N 0.79 1.16 -0.87 -0.16 2.02 -1.21 0.25 112.91 114.89 1mjg h THR 263 Ca 0.20 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 1mjg h THR 263 Cb 0.15 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 1mjg h THR 263 CO -0.02 0.17 0.46 0.00 0.37 0.00 0.00 175.52 176.50 1mjg h ALA 264 N 1.13 1.17 -0.68 6.16 0.00 -0.83 -0.96 119.26 125.25 1mjg h ALA 264 Ca 0.18 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1mjg h ALA 264 Cb 0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1mjg h ALA 264 CO -0.03 0.66 0.22 0.00 0.00 0.00 0.00 179.25 180.09 1mjg h ALA 265 N 1.28 0.89 -0.79 0.00 0.00 -0.17 -2.19 119.26 118.28 1mjg h ALA 265 Ca 0.30 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1mjg h ALA 265 Cb 0.05 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1mjg h ALA 265 CO -0.05 0.56 0.52 0.00 0.00 0.00 0.00 179.25 180.28 1mjg h ALA 266 N 1.09 1.44 0.00 0.00 0.00 0.31 0.20 119.26 122.31 1mjg h ALA 266 Ca 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1mjg h ALA 266 Cb 0.29 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1mjg h ALA 266 CO -0.01 0.52 0.00 1.19 0.00 0.00 0.00 179.25 180.95 1mjg n PHE 267 N -4.42 0.59 0.05 0.00 3.72 -0.45 -1.12 117.46 115.84 1mjg n PHE 267 Ca 0.09 0.23 -0.11 0.00 -0.05 0.00 0.00 57.45 57.61 1mjg n PHE 267 Cb 0.03 -0.87 0.01 0.00 -0.94 0.00 0.00 39.48 37.71 1mjg n PHE 267 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1mjg h GLY 268 N 2.33 0.45 0.80 1.37 0.00 -0.68 -0.53 103.07 106.82 1mjg h GLY 268 Ca 0.00 -0.67 -0.05 0.00 0.00 0.00 0.00 47.33 46.61 1mjg h GLY 268 CO 0.00 0.60 -0.06 0.00 0.00 0.00 0.00 176.54 177.08 1mjg h ALA 269 N 0.89 0.28 -0.44 3.60 0.00 -0.99 -2.74 119.26 119.85 1mjg h ALA 269 Ca -0.04 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.65 1mjg h ALA 269 Cb 1.37 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 1mjg h ALA 269 CO 0.13 0.06 0.22 0.82 0.00 0.00 0.00 179.25 180.49 1mjg h ILE 270 N 0.11 0.97 -0.95 0.00 2.04 -1.21 -0.01 117.51 118.45 1mjg h ILE 270 Ca 0.05 -0.15 0.23 0.00 1.00 0.00 0.00 64.86 65.98 1mjg h ILE 270 Cb 0.51 0.49 -0.07 0.00 -0.74 0.00 0.00 36.82 37.00 1mjg h ILE 270 CO 0.02 0.08 0.63 0.15 0.00 0.00 0.00 178.15 179.03 1mjg h PHE 271 N 0.44 0.56 -0.14 1.37 3.57 -0.94 0.20 116.94 122.00 1mjg h PHE 271 Ca 0.19 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1mjg h PHE 271 Cb 0.09 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.67 1mjg h PHE 271 CO -0.10 0.12 0.00 -2.37 -2.23 0.00 0.00 178.31 173.73 1mjg n THR 272 N -4.53 0.17 0.00 4.41 5.66 -0.61 -4.94 114.28 114.44 1mjg n THR 272 Ca 0.21 -0.44 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 1mjg n THR 272 Cb 0.77 0.77 0.00 0.00 -1.55 0.00 0.00 70.33 70.32 1mjg n THR 272 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1mjg n GLY 273 N 1.27 1.07 3.54 1.09 0.00 0.71 -3.96 105.19 108.92 1mjg n GLY 273 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1mjg n GLY 273 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mjg s PHE 274 N -2.00 3.13 0.53 1.61 0.08 -0.12 -4.82 117.98 116.39 1mjg s PHE 274 Ca 0.00 -0.17 -0.18 0.00 0.12 0.00 0.00 56.93 56.70 1mjg s PHE 274 Cb 0.00 -2.06 -0.07 0.00 -0.57 0.00 0.00 43.02 40.33 1mjg s PHE 274 CO 0.00 -0.02 1.02 -1.25 -0.10 0.00 0.00 175.22 174.88 1mjg s PRO 275 N 0.59 3.70 -0.19 0.24 0.04 -1.26 -2.83 135.00 135.29 1mjg s PRO 275 Ca 0.01 1.18 -0.00 0.00 0.04 0.00 0.00 61.00 62.23 1mjg s PRO 275 Cb -0.14 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.32 1mjg s PRO 275 CO 0.02 -0.49 -0.15 0.08 0.04 0.00 0.00 177.00 176.49 1mjg s VAL 276 N -2.33 2.46 -0.19 -0.36 1.01 0.20 -1.10 120.40 120.09 1mjg s VAL 276 Ca 0.63 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.78 1mjg s VAL 276 Cb -0.14 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 1mjg s VAL 276 CO 0.28 0.51 -0.07 -0.63 0.00 0.00 0.00 175.10 175.19 1mjg s ILE 277 N 1.30 3.35 0.08 2.22 1.09 0.54 -2.14 121.20 127.64 1mjg s ILE 277 Ca 0.04 -0.52 0.06 0.00 -1.10 0.00 0.00 60.65 59.14 1mjg s ILE 277 Cb -0.14 -2.49 -0.04 0.00 -1.06 0.00 0.00 42.46 38.74 1mjg s ILE 277 CO -0.09 0.46 -0.11 0.28 -0.10 0.00 0.00 174.94 175.38 1mjg s THR 278 N 1.05 3.33 -2.22 2.92 -1.32 -0.17 -0.74 115.64 118.49 1mjg s THR 278 Ca 0.00 -1.18 0.23 0.00 -1.21 0.00 0.00 61.69 59.53 1mjg s THR 278 Cb -0.15 -2.52 0.54 0.00 -1.51 0.00 0.00 72.50 68.87 1mjg s THR 278 CO -0.01 0.19 1.71 -0.90 -2.21 0.00 0.00 174.62 173.40 1mjg n ASP 279 N 0.95 1.03 -4.86 8.08 5.75 -1.04 -1.23 116.55 125.23 1mjg n ASP 279 Ca -0.14 -1.51 -0.34 0.00 -0.01 0.00 0.00 54.79 52.78 1mjg n ASP 279 Cb 0.52 -0.05 -0.06 0.00 -1.03 0.00 0.00 41.12 40.51 1mjg n ASP 279 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1mjg s GLN 280 N -1.91 3.90 0.15 0.11 -1.52 -1.26 -4.40 119.66 114.72 1mjg s GLN 280 Ca 0.34 0.38 -0.30 0.00 -1.95 0.00 0.00 55.36 53.83 1mjg s GLN 280 Cb 0.17 -2.87 -0.08 0.00 -0.22 0.00 0.00 33.01 30.02 1mjg s GLN 280 CO 0.28 0.45 1.27 -2.14 -0.25 0.00 0.00 175.29 174.90 1mjg s PRO 281 N -2.18 4.41 -0.09 2.91 0.02 -1.26 -4.60 135.00 134.22 1mjg s PRO 281 Ca 0.40 1.95 0.04 0.00 0.02 0.00 0.00 61.00 63.41 1mjg s PRO 281 Cb -0.14 -3.25 -0.00 0.00 0.02 0.00 0.00 34.50 31.13 1mjg s PRO 281 CO 0.20 -0.25 -0.24 -0.51 -0.33 0.00 0.00 177.00 175.87 1mjg s LEU 282 N 0.34 2.07 1.25 -5.54 1.43 -1.26 -5.09 118.68 111.88 1mjg s LEU 282 Ca 0.58 -0.54 -0.17 0.00 -1.03 0.00 0.00 54.13 52.97 1mjg s LEU 282 Cb -0.34 -1.38 0.31 0.00 0.03 0.00 0.00 46.19 44.81 1mjg s LEU 282 CO 0.34 0.17 1.00 -2.84 0.23 0.00 0.00 176.35 175.26 1mjg s PRO 283 N 0.26 -1.58 0.13 1.29 0.02 -1.26 -4.88 135.00 128.98 1mjg s PRO 283 Ca -0.16 0.47 -0.18 0.00 0.02 0.00 0.00 61.00 61.16 1mjg s PRO 283 Cb -0.17 -1.51 -0.03 0.00 0.02 0.00 0.00 34.50 32.82 1mjg s PRO 283 CO 0.08 -4.07 1.73 0.93 -0.33 0.00 0.00 177.00 175.34 1mjg h GLU 284 N -2.85 0.45 -0.93 5.54 5.08 -2.00 -2.79 114.58 117.08 1mjg h GLU 284 Ca -0.54 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 57.73 1mjg h GLU 284 Cb 1.34 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 1mjg h GLU 284 CO 0.43 0.38 0.04 -0.40 -1.00 0.00 0.00 179.01 178.46 1mjg n ASP 285 N -4.80 2.43 -0.23 1.42 3.85 -1.26 -3.53 116.55 114.44 1mjg n ASP 285 Ca -0.01 -2.27 0.04 0.00 -0.71 0.00 0.00 54.79 51.84 1mjg n ASP 285 Cb 0.07 -0.56 0.06 0.00 -1.35 0.00 0.00 41.12 39.35 1mjg n ASP 285 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1mjg n LYS 286 N 0.14 0.80 -4.01 0.11 4.76 -1.05 -3.06 118.16 115.85 1mjg n LYS 286 Ca 0.09 -1.65 -0.08 0.00 -2.87 0.00 0.00 58.31 53.79 1mjg n LYS 286 Cb 0.56 -0.96 -0.10 0.00 -1.84 0.00 0.00 35.03 32.70 1mjg n LYS 286 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 1mjg s GLN 287 N -1.28 0.61 -0.13 1.97 1.03 -1.23 -4.80 119.66 115.82 1mjg s GLN 287 Ca 0.13 -1.01 -0.03 0.00 0.04 0.00 0.00 55.36 54.50 1mjg s GLN 287 Cb 0.12 0.22 0.05 0.00 0.03 0.00 0.00 33.01 33.43 1mjg s GLN 287 CO 0.01 -0.14 0.03 0.42 -2.54 0.00 0.00 175.29 173.08 1mjg s ILE 288 N -3.35 0.32 0.15 3.63 1.01 0.68 -4.68 121.20 118.97 1mjg s ILE 288 Ca 0.02 -0.17 -0.34 0.00 0.00 0.00 0.00 60.65 60.15 1mjg s ILE 288 Cb 0.04 -0.71 -0.15 0.00 0.01 0.00 0.00 42.46 41.64 1mjg s ILE 288 CO -0.08 -0.02 1.38 -2.65 0.00 0.00 0.00 174.94 173.57 1mjg n PRO 289 N 5.14 1.57 -0.03 2.79 -0.02 -1.26 -0.87 135.00 142.32 1mjg n PRO 289 Ca -0.07 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1mjg n PRO 289 Cb 0.49 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1mjg n PRO 289 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1mjg n ASP 290 N 2.58 0.00 0.00 2.55 8.00 -1.26 -4.70 116.55 123.72 1mjg n ASP 290 Ca 0.16 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.66 1mjg n ASP 290 Cb 0.25 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 1mjg n ASP 290 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1mjg n TRP 291 N -2.00 0.00 -3.32 1.24 7.02 -0.63 -4.66 117.44 115.09 1mjg n TRP 291 Ca 0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.32 1mjg n TRP 291 Cb 0.00 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 28.82 1mjg n TRP 291 CO 0.00 0.00 0.00 0.12 -2.02 0.00 0.00 177.69 175.79 1mjg s PHE 292 N -1.87 -0.31 0.22 -5.99 2.19 -0.05 0.62 117.98 112.79 1mjg s PHE 292 Ca 0.00 -0.92 -0.00 0.00 0.33 0.00 0.00 56.93 56.34 1mjg s PHE 292 Cb 0.00 -0.38 -0.04 0.00 -1.31 0.00 0.00 43.02 41.29 1mjg s PHE 292 CO 0.00 -0.99 0.14 -0.59 1.83 0.00 0.00 175.22 175.61 1mjg s PHE 293 N 1.26 1.26 0.07 10.12 -0.12 -0.91 -0.23 117.98 129.43 1mjg s PHE 293 Ca 0.19 -1.37 -0.06 0.00 -0.05 0.00 0.00 56.93 55.64 1mjg s PHE 293 Cb -0.12 -0.62 -0.05 0.00 -0.63 0.00 0.00 43.02 41.60 1mjg s PHE 293 CO -0.04 -0.61 0.32 0.45 -0.05 0.00 0.00 175.22 175.28 1mjg s SER 294 N -3.20 6.50 -0.38 1.98 0.15 -1.26 -1.00 113.70 116.50 1mjg s SER 294 Ca 0.39 0.58 0.05 0.00 0.70 0.00 0.00 55.95 57.67 1mjg s SER 294 Cb 0.07 -2.09 0.17 0.00 -1.71 0.00 0.00 66.02 62.45 1mjg s SER 294 CO 0.13 0.17 0.47 -0.69 1.20 0.00 0.00 173.24 174.53 1mjg s VAL 295 N -1.45 -0.59 -0.06 4.45 1.01 -0.37 -4.92 120.40 118.47 1mjg s VAL 295 Ca 0.33 -0.59 0.19 0.00 0.00 0.00 0.00 61.98 61.91 1mjg s VAL 295 Cb -0.13 -0.45 0.16 0.00 0.00 0.00 0.00 36.38 35.96 1mjg s VAL 295 CO 0.20 -0.35 1.62 -0.33 0.00 0.00 0.00 175.10 176.24 1mjg h GLU 296 N 7.10 0.00 -6.48 2.72 5.08 -1.78 -3.38 114.58 117.84 1mjg h GLU 296 Ca 0.04 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.85 1mjg h GLU 296 Cb 1.11 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.29 1mjg h GLU 296 CO 0.17 0.34 1.07 0.34 -1.00 0.00 0.00 179.01 179.92 1mjg s ASP 297 N -6.33 6.25 0.59 1.42 -1.08 -1.26 -4.87 116.67 111.38 1mjg s ASP 297 Ca 0.03 0.42 0.39 0.00 -0.52 0.00 0.00 52.55 52.87 1mjg s ASP 297 Cb 0.08 -2.55 2.09 0.00 -1.46 0.00 0.00 42.92 41.09 1mjg s ASP 297 CO 0.69 -1.59 2.20 1.88 0.52 0.00 0.00 175.17 178.88 1mjg h TYR 298 N 10.70 0.00 0.00 -5.34 -1.99 -1.99 -1.19 116.97 117.15 1mjg h TYR 298 Ca -0.26 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.47 1mjg h TYR 298 Cb 1.09 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.82 1mjg h TYR 298 CO 1.01 0.00 -0.08 -0.25 -0.00 0.00 0.00 178.16 178.84 1mjg n ASP 299 N -2.92 0.37 -0.00 3.88 10.43 -1.26 -3.75 116.55 123.29 1mjg n ASP 299 Ca -0.02 0.44 0.05 0.00 2.57 0.00 0.00 54.79 57.82 1mjg n ASP 299 Cb 0.09 -0.49 -0.07 0.00 1.84 0.00 0.00 41.12 42.49 1mjg n ASP 299 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1mjg n LYS 300 N -1.80 1.28 -0.17 -1.24 5.02 -0.49 -4.77 118.16 115.99 1mjg n LYS 300 Ca 0.06 -0.06 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 1mjg n LYS 300 Cb 0.38 -1.14 -0.10 0.00 -0.02 0.00 0.00 35.03 34.15 1mjg n LYS 300 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1mjg h ILE 301 N 0.00 0.01 -0.19 -0.18 2.04 -1.54 -0.02 117.51 117.62 1mjg h ILE 301 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 1mjg h ILE 301 Cb 0.37 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.42 1mjg h ILE 301 CO 0.00 0.00 -0.06 0.58 0.00 0.00 0.00 178.15 178.67 1mjg h VAL 302 N -0.36 0.78 -0.17 1.67 2.07 -1.86 -0.35 116.25 118.04 1mjg h VAL 302 Ca 0.09 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.62 1mjg h VAL 302 Cb 0.58 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1mjg h VAL 302 CO -0.63 0.00 0.06 -0.61 0.02 0.00 0.00 177.57 176.41 1mjg h GLN 303 N -0.02 0.13 -0.41 1.57 4.15 -1.76 -1.21 115.11 117.57 1mjg h GLN 303 Ca 0.10 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.44 1mjg h GLN 303 Cb 0.16 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 1mjg h GLN 303 CO -0.21 0.09 -0.01 0.82 -1.93 0.00 0.00 178.83 177.59 1mjg h ILE 304 N 0.14 1.23 -0.35 2.39 2.04 -0.79 -0.85 117.51 121.31 1mjg h ILE 304 Ca 0.07 -0.92 -0.05 0.00 1.00 0.00 0.00 64.86 64.97 1mjg h ILE 304 Cb 0.05 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1mjg h ILE 304 CO -0.08 0.32 0.04 0.00 0.00 0.00 0.00 178.15 178.44 1mjg h ALA 305 N 1.37 0.47 -0.48 1.87 0.00 -0.74 0.02 119.26 121.76 1mjg h ALA 305 Ca 0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1mjg h ALA 305 Cb 0.41 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1mjg h ALA 305 CO 0.02 0.19 0.18 0.52 0.00 0.00 0.00 179.25 180.15 1mjg h MET 306 N 0.42 0.73 -0.47 0.00 2.86 -0.94 -0.05 114.93 117.49 1mjg h MET 306 Ca 0.11 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1mjg h MET 306 Cb 0.38 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 1mjg h MET 306 CO 0.01 0.67 0.19 0.93 1.06 0.00 0.00 176.91 179.77 1mjg h GLU 307 N 0.64 0.70 -0.49 1.72 5.08 -1.04 0.13 114.58 121.32 1mjg h GLU 307 Ca 0.16 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1mjg h GLU 307 Cb 0.22 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1mjg h GLU 307 CO -0.01 0.63 0.27 1.15 -1.00 0.00 0.00 179.01 180.05 1mjg h THR 308 N 0.62 1.17 0.00 1.13 2.02 -0.77 -2.62 112.91 114.46 1mjg h THR 308 Ca 0.16 -0.44 -0.07 0.00 0.77 0.00 0.00 66.41 66.83 1mjg h THR 308 Cb 0.19 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1mjg h THR 308 CO -0.01 0.18 -0.32 -0.09 0.37 0.00 0.00 175.52 175.65 1mjg h ARG 309 N 0.65 0.00 0.00 6.66 9.65 -0.81 -3.47 114.38 127.07 1mjg h ARG 309 Ca 0.17 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.05 1mjg h ARG 309 Cb 0.05 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.63 1mjg h ARG 309 CO -0.03 0.32 0.00 0.41 2.80 0.00 0.00 179.97 183.47 1mjg n GLY 310 N 0.28 1.13 3.64 2.80 0.00 0.15 -5.03 105.19 108.15 1mjg n GLY 310 Ca 0.00 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 1mjg n GLY 310 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mjg s ILE 311 N -2.00 4.93 -0.14 -0.61 1.01 0.23 -5.02 121.20 119.61 1mjg s ILE 311 Ca 0.00 1.31 0.01 0.00 0.00 0.00 0.00 60.65 61.97 1mjg s ILE 311 Cb 0.00 -4.01 0.02 0.00 0.01 0.00 0.00 42.46 38.48 1mjg s ILE 311 CO 0.00 -0.00 -0.17 -0.54 0.00 0.00 0.00 174.94 174.23 1mjg s LYS 312 N 2.59 2.48 -0.03 2.79 1.02 -1.26 -4.51 119.74 122.81 1mjg s LYS 312 Ca 0.30 -0.64 -0.01 0.00 0.02 0.00 0.00 55.97 55.64 1mjg s LYS 312 Cb -0.15 -2.14 0.03 0.00 -0.52 0.00 0.00 37.83 35.05 1mjg s LYS 312 CO 0.08 -0.13 0.06 -0.48 -0.92 0.00 0.00 175.35 173.96 1mjg s LEU 313 N 1.16 0.81 -0.03 3.17 0.05 -1.26 -5.02 118.68 117.57 1mjg s LEU 313 Ca -0.01 0.10 0.16 0.00 0.05 0.00 0.00 54.13 54.43 1mjg s LEU 313 Cb -0.14 0.01 -0.24 0.00 -2.05 0.00 0.00 46.19 43.77 1mjg s LEU 313 CO -0.06 -0.16 0.32 0.35 -0.55 0.00 0.00 176.35 176.26 1mjg n THR 314 N 4.42 0.08 -0.35 5.48 -2.24 -1.26 -4.97 114.28 115.44 1mjg n THR 314 Ca -0.23 -0.38 -0.03 0.00 -2.27 0.00 0.00 64.05 61.14 1mjg n THR 314 Cb 0.50 0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.78 1mjg n THR 314 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1mjg n LYS 315 N -2.09 0.00 -1.97 -0.78 5.02 -1.26 -4.67 118.16 112.41 1mjg n LYS 315 Ca -0.05 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.00 1mjg n LYS 315 Cb 0.46 -0.29 -0.06 0.00 -0.02 0.00 0.00 35.03 35.12 1mjg n LYS 315 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1mjg s ILE 316 N 0.00 3.40 0.00 -0.18 1.01 -1.26 -4.95 121.20 119.21 1mjg s ILE 316 Ca 0.16 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.35 1mjg s ILE 316 Cb -0.10 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.32 1mjg s ILE 316 CO 0.07 -0.79 0.00 2.29 0.00 0.00 0.00 174.94 176.51 1mjg n LYS 317 N 8.65 -0.86 -3.93 2.79 2.85 -1.26 -5.07 118.16 121.33 1mjg n LYS 317 Ca 0.42 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.57 1mjg n LYS 317 Cb 0.46 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.72 1mjg n LYS 317 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 1mjg s LEU 318 N 0.00 2.10 -0.63 -5.58 0.05 -1.26 -5.09 118.68 108.27 1mjg s LEU 318 Ca 0.00 -0.21 -0.26 0.00 0.05 0.00 0.00 54.13 53.71 1mjg s LEU 318 Cb 0.00 0.03 -0.11 0.00 -2.05 0.00 0.00 46.19 44.06 1mjg s LEU 318 CO 0.00 -0.12 2.45 -0.90 -0.55 0.00 0.00 176.35 177.23 1mjg n ASP 319 N 2.47 1.82 -4.75 1.48 5.75 -1.26 -4.95 116.55 117.11 1mjg n ASP 319 Ca -0.17 -0.61 -0.28 0.00 -0.01 0.00 0.00 54.79 53.72 1mjg n ASP 319 Cb 0.58 -1.48 -0.07 0.00 -1.03 0.00 0.00 41.12 39.13 1mjg n ASP 319 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1mjg s LEU 320 N 11.89 3.65 0.35 -2.12 1.43 -1.26 -5.01 118.68 127.61 1mjg s LEU 320 Ca 1.03 -0.15 0.27 0.00 -1.03 0.00 0.00 54.13 54.25 1mjg s LEU 320 Cb -0.33 -2.31 1.03 0.00 0.03 0.00 0.00 46.19 44.60 1mjg s LEU 320 CO 0.27 0.12 1.79 1.55 0.23 0.00 0.00 176.35 180.32 1mjg h PRO 321 N 2.93 0.00 -6.17 1.29 0.13 -1.88 -3.44 132.00 124.86 1mjg h PRO 321 Ca -0.47 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.08 1mjg h PRO 321 Cb 1.18 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.20 1mjg h PRO 321 CO 0.62 0.00 -0.68 0.96 -0.23 0.00 0.00 178.00 178.67 1mjg s ILE 322 N -3.38 2.96 0.65 -3.56 -4.36 -1.26 -4.74 121.20 107.51 1mjg s ILE 322 Ca 0.04 -2.10 -0.13 0.00 -0.26 0.00 0.00 60.65 58.21 1mjg s ILE 322 Cb 0.09 -2.65 -0.01 0.00 1.25 0.00 0.00 42.46 41.15 1mjg s ILE 322 CO 0.48 -0.35 1.06 0.21 0.24 0.00 0.00 174.94 176.58 1mjg s ASN 323 N -3.62 5.52 -0.02 4.36 3.04 -1.26 -4.87 114.94 118.08 1mjg s ASN 323 Ca 0.32 1.72 0.00 0.00 0.04 0.00 0.00 52.86 54.94 1mjg s ASN 323 Cb -0.05 -2.51 0.03 0.00 -1.54 0.00 0.00 41.25 37.17 1mjg s ASN 323 CO 0.18 -1.34 0.01 0.12 -3.04 0.00 0.00 177.10 173.03 1mjg s PHE 324 N -2.77 0.16 0.00 0.43 5.36 -1.26 -1.11 117.98 118.79 1mjg s PHE 324 Ca 0.61 0.06 0.00 0.00 -0.96 0.00 0.00 56.93 56.63 1mjg s PHE 324 Cb -0.15 -0.29 0.00 0.00 -0.34 0.00 0.00 43.02 42.23 1mjg s PHE 324 CO 0.47 -0.10 0.00 0.41 -1.46 0.00 0.00 175.22 174.54 1mjg n GLY 325 N 4.04 1.77 0.33 13.12 0.00 0.07 -4.27 105.19 120.26 1mjg n GLY 325 Ca -0.26 -0.87 0.18 0.00 0.00 0.00 0.00 46.02 45.06 1mjg n GLY 325 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mjg h PRO 326 N 0.00 0.00 -0.13 1.61 0.13 -1.83 -2.17 132.00 129.61 1mjg h PRO 326 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1mjg h PRO 326 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1mjg h PRO 326 CO 0.00 0.00 0.05 0.00 -0.23 0.00 0.00 178.00 177.82 1mjg h ALA 327 N 1.78 1.85 -0.14 -0.56 0.00 -1.86 -2.29 119.26 118.04 1mjg h ALA 327 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1mjg h ALA 327 Cb 0.38 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1mjg h ALA 327 CO -0.00 0.12 0.00 1.19 0.00 0.00 0.00 179.25 180.56 1mjg n PHE 328 N -4.48 0.17 -0.05 0.00 3.01 -0.81 -4.08 117.46 111.22 1mjg n PHE 328 Ca -0.01 -0.09 -0.12 0.00 1.01 0.00 0.00 57.45 58.24 1mjg n PHE 328 Cb 0.11 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.51 1mjg n PHE 328 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1mjg h GLU 329 N 2.88 0.26 0.00 -1.08 4.81 -1.41 -3.06 114.58 116.99 1mjg h GLU 329 Ca 0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1mjg h GLU 329 Cb 0.62 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1mjg h GLU 329 CO 0.00 0.57 0.00 0.41 -0.73 0.00 0.00 179.01 179.26 1mjg n GLY 330 N -0.07 -0.89 3.57 1.92 0.00 -1.26 -4.88 105.19 103.58 1mjg n GLY 330 Ca -0.06 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 1mjg n GLY 330 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1mjg n GLU 331 N -1.07 0.22 -4.38 1.61 2.13 -1.16 -5.04 120.64 112.95 1mjg n GLU 331 Ca 0.18 0.13 -0.19 0.00 0.66 0.00 0.00 57.16 57.94 1mjg n GLU 331 Cb 0.12 -2.14 -0.15 0.00 0.27 0.00 0.00 31.44 29.54 1mjg n GLU 331 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1mjg s SER 332 N -1.82 1.12 -0.37 4.31 0.15 -1.26 -5.00 113.70 110.83 1mjg s SER 332 Ca 0.69 -0.19 -0.11 0.00 0.70 0.00 0.00 55.95 57.04 1mjg s SER 332 Cb -0.31 -0.12 0.03 0.00 -1.71 0.00 0.00 66.02 63.91 1mjg s SER 332 CO 0.55 0.11 0.20 -0.63 1.20 0.00 0.00 173.24 174.67 1mjg s ILE 333 N -0.27 4.54 0.42 6.45 -1.09 -1.26 -5.08 121.20 124.92 1mjg s ILE 333 Ca 0.03 -0.88 -0.25 0.00 -2.23 0.00 0.00 60.65 57.32 1mjg s ILE 333 Cb -0.04 -3.54 -0.08 0.00 -1.58 0.00 0.00 42.46 37.22 1mjg s ILE 333 CO -0.00 -0.24 1.24 -0.13 -1.23 0.00 0.00 174.94 174.57 1mjg s ARG 334 N 1.55 3.92 0.38 2.79 0.52 -1.26 -4.84 118.95 122.01 1mjg s ARG 334 Ca 0.02 1.99 0.15 0.00 -0.52 0.00 0.00 55.73 57.36 1mjg s ARG 334 Cb -0.19 -2.65 1.00 0.00 0.52 0.00 0.00 34.95 33.63 1mjg s ARG 334 CO 0.07 -0.48 1.80 0.87 0.02 0.00 0.00 175.30 177.58 1mjg h LYS 335 N 2.51 0.48 0.00 3.54 6.56 -1.98 0.22 116.57 127.90 1mjg h LYS 335 Ca -0.49 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.07 1mjg h LYS 335 Cb 1.25 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.80 1mjg h LYS 335 CO 0.62 0.32 0.00 0.78 -2.06 0.00 0.00 179.45 179.11 1mjg h GLY 336 N 0.50 0.00 -1.07 3.86 0.00 -2.04 -2.83 103.07 101.49 1mjg h GLY 336 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.88 1mjg h GLY 336 CO -0.28 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.48 1mjg n ASP 337 N -2.62 2.33 -4.67 0.19 9.92 0.64 -4.98 116.55 117.37 1mjg n ASP 337 Ca 0.02 -1.67 -0.43 0.00 -0.53 0.00 0.00 54.79 52.18 1mjg n ASP 337 Cb 0.30 -0.09 -0.02 0.00 -0.64 0.00 0.00 41.12 40.67 1mjg n ASP 337 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1mjg s MET 338 N -0.97 4.31 -0.18 -1.24 1.75 -0.48 -0.04 119.30 122.45 1mjg s MET 338 Ca 0.17 1.34 -0.20 0.00 -1.25 0.00 0.00 55.69 55.75 1mjg s MET 338 Cb 0.11 -3.61 -0.18 0.00 2.84 0.00 0.00 34.83 33.99 1mjg s MET 338 CO 0.15 -0.52 0.27 -0.92 -0.65 0.00 0.00 175.02 173.35 1mjg h TYR 339 N 7.35 0.00 -3.26 4.11 3.20 -0.74 -3.34 116.97 124.29 1mjg h TYR 339 Ca -0.23 0.00 -0.39 0.00 3.14 0.00 0.00 58.73 61.25 1mjg h TYR 339 Cb 1.09 0.00 -0.15 0.00 1.54 0.00 0.00 36.73 39.21 1mjg h TYR 339 CO 0.74 1.11 -0.73 0.08 -1.64 0.00 0.00 178.16 177.72 1mjg s VAL 340 N -2.27 1.39 -0.19 1.81 1.01 -1.13 0.70 120.40 121.71 1mjg s VAL 340 Ca -0.23 -2.03 -0.09 0.00 0.00 0.00 0.00 61.98 59.63 1mjg s VAL 340 Cb 0.03 -1.84 0.08 0.00 0.00 0.00 0.00 36.38 34.65 1mjg s VAL 340 CO 0.53 -0.62 0.44 -0.70 0.00 0.00 0.00 175.10 174.75 1mjg s GLU 341 N -3.47 0.39 0.04 2.72 2.12 -1.08 -2.41 118.70 117.01 1mjg s GLU 341 Ca 0.17 0.95 0.05 0.00 0.36 0.00 0.00 54.97 56.50 1mjg s GLU 341 Cb -0.00 0.18 -0.02 0.00 0.26 0.00 0.00 34.13 34.54 1mjg s GLU 341 CO 0.03 -0.20 -0.14 0.00 -0.54 0.00 0.00 175.26 174.41 1mjg s MET 342 N 2.01 0.93 1.73 4.30 0.23 -1.02 -2.49 119.30 124.99 1mjg s MET 342 Ca -0.06 -0.79 0.00 0.00 -1.03 0.00 0.00 55.69 53.81 1mjg s MET 342 Cb -0.10 -0.95 0.00 0.00 -1.53 0.00 0.00 34.83 32.26 1mjg s MET 342 CO -0.13 0.23 0.00 0.41 -2.03 0.00 0.00 175.02 173.50 1mjg n GLY 343 N 1.80 -0.92 2.41 3.16 0.00 -1.22 0.30 105.19 110.73 1mjg n GLY 343 Ca -0.18 -1.43 -0.18 0.00 0.00 0.00 0.00 46.02 44.23 1mjg n GLY 343 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mjg n GLY 344 N 0.00 -0.28 3.00 -0.02 0.00 0.53 -1.09 105.19 107.34 1mjg n GLY 344 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1mjg n GLY 344 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mjg n ASN 345 N -1.84 -5.04 -0.02 1.61 4.13 -1.26 -4.80 115.26 108.03 1mjg n ASN 345 Ca -0.21 -0.23 0.02 0.00 1.68 0.00 0.00 54.58 55.83 1mjg n ASN 345 Cb 0.65 -4.13 -0.09 0.00 -1.54 0.00 0.00 39.78 34.67 1mjg n ASN 345 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1mjg n ARG 346 N -3.69 1.07 -3.46 3.52 1.74 -0.25 -5.01 116.66 110.58 1mjg n ARG 346 Ca -0.10 -0.07 -0.13 0.00 -0.77 0.00 0.00 57.85 56.78 1mjg n ARG 346 Cb 0.60 -1.28 -0.03 0.00 -1.02 0.00 0.00 32.46 30.73 1mjg n ARG 346 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1mjg s THR 347 N -2.60 0.00 0.31 0.55 -4.23 -1.23 -4.94 115.64 103.49 1mjg s THR 347 Ca -0.05 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.17 1mjg s THR 347 Cb 0.06 -1.00 -0.10 0.00 1.34 0.00 0.00 72.50 72.80 1mjg s THR 347 CO 0.47 0.00 1.30 -2.16 -0.54 0.00 0.00 174.62 173.69 1mjg s PRO 348 N -2.91 4.38 -0.14 3.99 0.04 -1.26 -3.37 135.00 135.74 1mjg s PRO 348 Ca -0.02 2.17 -0.22 0.00 0.04 0.00 0.00 61.00 62.97 1mjg s PRO 348 Cb -0.01 -3.10 0.05 0.00 0.04 0.00 0.00 34.50 31.49 1mjg s PRO 348 CO -0.06 -0.17 0.56 0.00 0.04 0.00 0.00 177.00 177.37 1mjg s ALA 349 N -0.95 -1.42 0.13 8.56 0.00 -1.25 -1.22 121.76 125.62 1mjg s ALA 349 Ca 0.50 1.33 -0.22 0.00 0.00 0.00 0.00 51.96 53.57 1mjg s ALA 349 Cb -0.39 -0.51 0.06 0.00 0.00 0.00 0.00 23.12 22.28 1mjg s ALA 349 CO 0.50 -0.30 0.54 -0.59 0.00 0.00 0.00 175.76 175.91 1mjg s PHE 350 N -0.39 -0.45 0.03 0.00 -0.12 -0.23 -4.24 117.98 112.58 1mjg s PHE 350 Ca -0.05 0.27 0.05 0.00 -0.05 0.00 0.00 56.93 57.15 1mjg s PHE 350 Cb -0.03 0.45 -0.02 0.00 -0.63 0.00 0.00 43.02 42.79 1mjg s PHE 350 CO 0.04 -0.77 -0.15 -1.83 -0.05 0.00 0.00 175.22 172.45 1mjg s GLU 351 N -3.48 1.07 -0.24 1.99 -1.05 -0.47 -0.71 118.70 115.82 1mjg s GLU 351 Ca 0.00 -0.72 -0.17 0.00 -0.15 0.00 0.00 54.97 53.93 1mjg s GLU 351 Cb -0.00 -1.09 0.07 0.00 -0.44 0.00 0.00 34.13 32.67 1mjg s GLU 351 CO -0.10 0.28 0.61 -1.17 0.95 0.00 0.00 175.26 175.82 1mjg s LEU 352 N -0.93 -0.56 -0.14 1.83 2.96 0.36 -4.44 118.68 117.77 1mjg s LEU 352 Ca 0.04 1.29 -0.02 0.00 -0.22 0.00 0.00 54.13 55.22 1mjg s LEU 352 Cb -0.07 2.08 -0.02 0.00 0.50 0.00 0.00 46.19 48.68 1mjg s LEU 352 CO 0.01 -0.22 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.04 1mjg s VAL 353 N 1.11 3.43 0.01 1.68 1.01 -1.26 -0.59 120.40 125.79 1mjg s VAL 353 Ca -0.06 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1mjg s VAL 353 Cb -0.05 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 1mjg s VAL 353 CO -0.11 0.52 -0.07 0.00 0.00 0.00 0.00 175.10 175.44 1mjg s ARG 354 N 0.29 0.51 -0.06 2.72 1.70 -0.47 -4.88 118.95 118.77 1mjg s ARG 354 Ca -0.07 -0.42 -0.24 0.00 -0.47 0.00 0.00 55.73 54.53 1mjg s ARG 354 Cb -0.15 -0.42 -0.04 0.00 -0.57 0.00 0.00 34.95 33.77 1mjg s ARG 354 CO 0.04 0.11 0.71 0.99 -1.08 0.00 0.00 175.30 176.07 1mjg s THR 355 N -0.59 5.03 0.20 4.99 2.01 -1.26 0.29 115.64 126.32 1mjg s THR 355 Ca -0.02 1.47 0.09 0.00 0.31 0.00 0.00 61.69 63.54 1mjg s THR 355 Cb -0.05 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.36 1mjg s THR 355 CO 0.00 0.25 -0.17 0.68 -0.69 0.00 0.00 174.62 174.70 1mjg s VAL 356 N 0.77 1.88 0.62 3.82 -7.23 0.10 -4.87 120.40 115.49 1mjg s VAL 356 Ca 0.38 -2.14 -0.16 0.00 -1.81 0.00 0.00 61.98 58.25 1mjg s VAL 356 Cb -0.18 -2.01 -0.02 0.00 0.56 0.00 0.00 36.38 34.73 1mjg s VAL 356 CO 0.19 -0.47 1.10 -0.94 -0.31 0.00 0.00 175.10 174.67 1mjg s SER 357 N -3.11 5.36 0.35 4.85 1.04 -1.26 -4.55 113.70 116.38 1mjg s SER 357 Ca 0.21 1.99 0.08 0.00 0.48 0.00 0.00 55.95 58.71 1mjg s SER 357 Cb -0.03 -2.55 0.80 0.00 0.10 0.00 0.00 66.02 64.34 1mjg s SER 357 CO 0.08 -1.46 1.85 -0.08 0.98 0.00 0.00 173.24 174.61 1mjg h GLU 358 N 0.32 0.69 0.00 4.02 4.81 -1.96 0.13 114.58 122.59 1mjg h GLU 358 Ca -0.47 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1mjg h GLU 358 Cb 1.24 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1mjg h GLU 358 CO 0.55 0.46 0.00 -1.13 -0.73 0.00 0.00 179.01 178.16 1mjg n SER 359 N -4.59 0.68 -1.57 1.04 3.41 -1.26 -3.39 113.62 107.94 1mjg n SER 359 Ca 0.18 0.57 0.10 0.00 -0.26 0.00 0.00 58.87 59.46 1mjg n SER 359 Cb 0.49 -0.75 0.36 0.00 -0.26 0.00 0.00 64.21 64.05 1mjg n SER 359 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1mjg n GLU 360 N -2.14 3.58 -3.85 4.33 2.13 0.02 -4.94 120.64 119.77 1mjg n GLU 360 Ca 0.06 -2.84 -0.12 0.00 0.66 0.00 0.00 57.16 54.92 1mjg n GLU 360 Cb 0.41 -1.85 -0.12 0.00 0.27 0.00 0.00 31.44 30.15 1mjg n GLU 360 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 1mjg s ILE 361 N -1.71 0.03 -0.26 6.31 2.07 -1.16 -4.82 121.20 121.66 1mjg s ILE 361 Ca 0.51 -0.23 -0.01 0.00 -1.41 0.00 0.00 60.65 59.52 1mjg s ILE 361 Cb 0.32 -0.23 0.04 0.00 0.13 0.00 0.00 42.46 42.72 1mjg s ILE 361 CO 0.26 -0.13 -0.06 -0.89 -1.91 0.00 0.00 174.94 172.22 1mjg s THR 362 N -0.38 2.73 0.17 4.00 2.01 -1.26 -4.96 115.64 117.94 1mjg s THR 362 Ca -0.05 -1.22 -0.32 0.00 0.31 0.00 0.00 61.69 60.41 1mjg s THR 362 Cb -0.03 -2.46 -0.12 0.00 0.01 0.00 0.00 72.50 69.90 1mjg s THR 362 CO 0.00 0.10 1.73 -0.67 -0.69 0.00 0.00 174.62 175.10 1mjg n ASP 363 N 4.61 3.85 0.00 3.53 2.03 -1.26 -1.93 116.55 127.38 1mjg n ASP 363 Ca -0.15 1.04 0.00 0.00 0.52 0.00 0.00 54.79 56.20 1mjg n ASP 363 Cb 0.45 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.32 1mjg n ASP 363 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1mjg n GLY 364 N 3.96 1.55 3.65 0.27 0.00 0.22 -4.94 105.19 109.89 1mjg n GLY 364 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1mjg n GLY 364 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mjg s LYS 365 N -0.05 4.05 -0.09 1.61 2.20 -0.81 -4.93 119.74 121.73 1mjg s LYS 365 Ca 0.00 1.86 0.04 0.00 -0.36 0.00 0.00 55.97 57.50 1mjg s LYS 365 Cb 0.00 -3.95 0.00 0.00 -1.51 0.00 0.00 37.83 32.38 1mjg s LYS 365 CO 0.00 -0.97 -0.21 0.42 -0.36 0.00 0.00 175.35 174.23 1mjg s ILE 366 N 4.32 1.78 -0.09 5.43 1.01 -1.26 -1.04 121.20 131.36 1mjg s ILE 366 Ca 0.68 -0.86 -0.06 0.00 0.00 0.00 0.00 60.65 60.40 1mjg s ILE 366 Cb -0.27 -1.55 0.03 0.00 0.01 0.00 0.00 42.46 40.68 1mjg s ILE 366 CO 0.26 0.50 0.22 -1.83 0.00 0.00 0.00 174.94 174.08 1mjg s GLU 367 N 0.38 0.22 -0.34 2.79 -1.05 -0.63 -5.01 118.70 115.06 1mjg s GLU 367 Ca -0.16 0.38 -0.13 0.00 -0.15 0.00 0.00 54.97 54.91 1mjg s GLU 367 Cb -0.17 0.01 -0.02 0.00 -0.44 0.00 0.00 34.13 33.52 1mjg s GLU 367 CO 0.07 -0.09 0.24 0.08 0.95 0.00 0.00 175.26 176.52 1mjg s VAL 368 N 0.58 5.28 -0.83 1.83 1.01 -1.26 -0.77 120.40 126.24 1mjg s VAL 368 Ca -0.04 -0.24 -0.17 0.00 0.00 0.00 0.00 61.98 61.53 1mjg s VAL 368 Cb -0.05 -3.73 0.16 0.00 0.00 0.00 0.00 36.38 32.76 1mjg s VAL 368 CO -0.03 -0.03 0.92 -0.63 0.00 0.00 0.00 175.10 175.33 1mjg s ILE 369 N 1.72 5.08 -0.97 2.22 -1.09 0.45 -4.92 121.20 123.69 1mjg s ILE 369 Ca 0.06 -1.82 0.00 0.00 -2.23 0.00 0.00 60.65 56.66 1mjg s ILE 369 Cb -0.17 -4.61 0.00 0.00 -1.58 0.00 0.00 42.46 36.09 1mjg s ILE 369 CO 0.10 -1.26 0.00 0.61 -1.23 0.00 0.00 174.94 173.17 1mjg n GLY 370 N 4.87 0.53 3.69 6.18 0.00 -1.26 -1.75 105.19 117.44 1mjg n GLY 370 Ca 0.14 -2.12 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 1mjg n GLY 370 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1mjg s PRO 371 N -0.39 4.16 0.74 1.61 0.02 -1.25 -4.95 135.00 134.94 1mjg s PRO 371 Ca 0.00 2.51 -0.09 0.00 0.02 0.00 0.00 61.00 63.44 1mjg s PRO 371 Cb 0.00 -3.68 0.16 0.00 0.02 0.00 0.00 34.50 31.01 1mjg s PRO 371 CO 0.00 -0.83 1.01 -3.47 -0.33 0.00 0.00 177.00 173.39 1mjg n ASP 372 N 5.92 0.45 0.10 2.53 -0.08 -1.26 -4.82 116.55 119.39 1mjg n ASP 372 Ca 0.17 -1.59 -0.02 0.00 -1.51 0.00 0.00 54.79 51.85 1mjg n ASP 372 Cb 0.39 -0.74 0.24 0.00 2.34 0.00 0.00 41.12 43.35 1mjg n ASP 372 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1mjg h ILE 373 N -1.27 1.30 -0.32 5.18 2.10 -1.95 -2.83 117.51 119.73 1mjg h ILE 373 Ca -0.33 -1.47 -0.03 0.00 1.08 0.00 0.00 64.86 64.11 1mjg h ILE 373 Cb 1.00 1.66 -0.02 0.00 -1.09 0.00 0.00 36.82 38.37 1mjg h ILE 373 CO 0.27 0.44 0.04 -0.90 -1.08 0.00 0.00 178.15 176.91 1mjg n ASP 374 N -4.04 3.40 -0.23 2.19 5.75 -1.26 -3.63 116.55 118.73 1mjg n ASP 374 Ca -0.01 -2.51 0.05 0.00 -0.01 0.00 0.00 54.79 52.31 1mjg n ASP 374 Cb 0.46 -0.60 0.07 0.00 -1.03 0.00 0.00 41.12 40.02 1mjg n ASP 374 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1mjg n GLN 375 N 0.24 0.82 -4.16 0.11 6.02 -1.07 -5.06 117.38 114.29 1mjg n GLN 375 Ca 0.16 -1.83 -0.10 0.00 -0.01 0.00 0.00 57.00 55.22 1mjg n GLN 375 Cb 0.77 -1.05 -0.10 0.00 1.02 0.00 0.00 30.24 30.89 1mjg n GLN 375 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1mjg s ILE 376 N -1.55 0.51 0.38 5.09 -5.25 -1.24 -4.81 121.20 114.32 1mjg s ILE 376 Ca 0.17 -1.91 -0.25 0.00 -0.99 0.00 0.00 60.65 57.67 1mjg s ILE 376 Cb 0.15 -1.76 -0.09 0.00 2.95 0.00 0.00 42.46 43.71 1mjg s ILE 376 CO 0.02 -0.79 1.10 -2.16 -1.79 0.00 0.00 174.94 171.31 1mjg s PRO 377 N -3.89 4.20 0.10 0.37 0.04 -1.26 -4.97 135.00 129.58 1mjg s PRO 377 Ca 0.14 1.67 -0.31 0.00 0.04 0.00 0.00 61.00 62.54 1mjg s PRO 377 Cb 0.06 -2.69 -0.10 0.00 0.04 0.00 0.00 34.50 31.82 1mjg s PRO 377 CO -0.04 -0.15 1.80 -2.00 0.04 0.00 0.00 177.00 176.65 1mjg s GLU 378 N -2.26 4.15 0.00 4.56 2.12 -1.26 -2.36 118.70 123.66 1mjg s GLU 378 Ca 0.55 2.53 0.00 0.00 0.36 0.00 0.00 54.97 58.41 1mjg s GLU 378 Cb -0.27 -3.67 0.00 0.00 0.26 0.00 0.00 34.13 30.45 1mjg s GLU 378 CO 0.33 -0.83 0.00 0.41 -0.54 0.00 0.00 175.26 174.63 1mjg n GLY 379 N 4.21 0.60 3.97 -1.50 0.00 0.22 -5.04 105.19 107.65 1mjg n GLY 379 Ca 0.18 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 45.21 1mjg n GLY 379 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mjg s SER 380 N -2.76 5.31 0.63 1.61 1.04 -0.99 -4.96 113.70 113.58 1mjg s SER 380 Ca 0.00 -0.65 0.08 0.00 0.48 0.00 0.00 55.95 55.86 1mjg s SER 380 Cb 0.00 -0.37 0.11 0.00 0.10 0.00 0.00 66.02 65.86 1mjg s SER 380 CO 0.00 -0.87 0.87 -0.54 0.98 0.00 0.00 173.24 173.68 1mjg s LYS 381 N -4.35 2.07 0.00 4.02 1.02 -1.26 -2.63 119.74 118.61 1mjg s LYS 381 Ca 0.53 -1.60 0.00 0.00 0.02 0.00 0.00 55.97 54.92 1mjg s LYS 381 Cb -0.07 -2.56 0.00 0.00 -0.52 0.00 0.00 37.83 34.68 1mjg s LYS 381 CO 0.32 -1.09 0.00 -0.11 -0.92 0.00 0.00 175.35 173.55 1mjg n LEU 382 N -2.44 0.00 -4.76 3.17 7.94 -1.04 -4.82 117.00 115.06 1mjg n LEU 382 Ca 0.17 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 54.69 1mjg n LEU 382 Cb 0.62 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.58 1mjg n LEU 382 CO 0.40 0.00 0.93 -2.84 -1.11 0.00 0.00 177.39 174.77 1mjg s PRO 383 N 0.00 3.57 -0.01 1.96 0.02 -1.26 -4.21 135.00 135.07 1mjg s PRO 383 Ca 0.00 2.07 0.01 0.00 0.02 0.00 0.00 61.00 63.10 1mjg s PRO 383 Cb 0.00 -2.45 0.00 0.00 0.02 0.00 0.00 34.50 32.07 1mjg s PRO 383 CO 0.00 -0.79 -0.04 -1.17 -0.33 0.00 0.00 177.00 174.67 1mjg s LEU 384 N -3.06 1.90 -0.16 -5.54 2.96 -0.35 -3.63 118.68 110.80 1mjg s LEU 384 Ca 0.65 -0.08 -0.04 0.00 -0.22 0.00 0.00 54.13 54.44 1mjg s LEU 384 Cb -0.36 -0.25 0.05 0.00 0.50 0.00 0.00 46.19 46.13 1mjg s LEU 384 CO 0.44 0.04 0.06 -0.83 -1.32 0.00 0.00 176.35 174.74 1mjg s GLY 385 N 0.05 0.47 -0.33 7.98 0.00 -0.18 -1.06 107.32 114.25 1mjg s GLY 385 Ca -0.00 -0.38 -0.12 0.00 0.00 0.00 0.00 44.72 44.22 1mjg s GLY 385 CO -0.00 1.55 0.22 -0.42 0.00 0.00 0.00 173.10 174.45 1mjg s ILE 386 N 2.03 5.24 -0.21 0.90 1.01 0.11 -0.84 121.20 129.44 1mjg s ILE 386 Ca 0.02 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.52 1mjg s ILE 386 Cb -0.16 -3.65 0.03 0.00 0.01 0.00 0.00 42.46 38.69 1mjg s ILE 386 CO -0.08 0.05 -0.14 -0.22 0.00 0.00 0.00 174.94 174.55 1mjg s LEU 387 N 1.72 2.67 -0.31 2.97 2.96 -0.65 -0.48 118.68 127.56 1mjg s LEU 387 Ca 0.06 -0.84 -0.02 0.00 -0.22 0.00 0.00 54.13 53.11 1mjg s LEU 387 Cb -0.17 -1.55 0.05 0.00 0.50 0.00 0.00 46.19 45.02 1mjg s LEU 387 CO 0.10 -0.07 0.02 -0.69 -1.32 0.00 0.00 176.35 174.39 1mjg s VAL 388 N 1.27 3.07 -0.13 1.68 1.01 0.24 -1.20 120.40 126.33 1mjg s VAL 388 Ca 0.01 -1.38 -0.21 0.00 0.00 0.00 0.00 61.98 60.40 1mjg s VAL 388 Cb -0.15 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 1mjg s VAL 388 CO -0.09 -0.13 0.62 -1.81 0.00 0.00 0.00 175.10 173.69 1mjg s ASP 389 N 1.28 6.79 -0.03 3.32 -0.00 0.79 -1.37 116.67 127.46 1mjg s ASP 389 Ca -0.04 0.96 0.06 0.00 -0.00 0.00 0.00 52.55 53.52 1mjg s ASP 389 Cb -0.20 -2.36 -0.02 0.00 -0.00 0.00 0.00 42.92 40.34 1mjg s ASP 389 CO -0.01 -0.15 -0.19 -0.63 -0.00 0.00 0.00 175.17 174.19 1mjg s ILE 390 N 1.21 2.66 -0.03 0.77 -1.09 0.15 -1.84 121.20 123.02 1mjg s ILE 390 Ca 0.31 -0.93 -0.00 0.00 -2.23 0.00 0.00 60.65 57.80 1mjg s ILE 390 Cb -0.16 -2.02 0.03 0.00 -1.58 0.00 0.00 42.46 38.73 1mjg s ILE 390 CO 0.13 0.55 0.01 -0.47 -1.23 0.00 0.00 174.94 173.93 1mjg s TYR 391 N -0.72 0.28 -0.24 3.97 5.04 -0.76 -0.72 117.35 124.20 1mjg s TYR 391 Ca 0.11 0.04 -0.27 0.00 -2.44 0.00 0.00 57.07 54.52 1mjg s TYR 391 Cb -0.10 -0.44 0.12 0.00 0.35 0.00 0.00 41.96 41.89 1mjg s TYR 391 CO 0.01 -0.15 1.00 0.20 -1.34 0.00 0.00 175.55 175.26 1mjg s GLY 392 N 1.30 -0.21 0.26 8.97 0.00 -1.25 -0.27 107.32 116.12 1mjg s GLY 392 Ca -0.06 2.45 0.15 0.00 0.00 0.00 0.00 44.72 47.25 1mjg s GLY 392 CO -0.02 1.60 1.39 -0.96 0.00 0.00 0.00 173.10 175.11 1mjg n ARG 393 N 1.80 0.10 -0.09 2.90 1.85 -1.19 -1.25 116.66 120.77 1mjg n ARG 393 Ca -0.12 0.57 0.04 0.00 -1.00 0.00 0.00 57.85 57.34 1mjg n ARG 393 Cb 0.56 -1.93 0.06 0.00 -1.05 0.00 0.00 32.46 30.10 1mjg n ARG 393 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1mjg n LYS 394 N -2.02 1.59 -2.47 2.89 5.02 -1.09 -5.03 118.16 117.06 1mjg n LYS 394 Ca -0.01 -1.78 -0.36 0.00 -2.02 0.00 0.00 58.31 54.14 1mjg n LYS 394 Cb 0.14 -1.09 -0.03 0.00 -0.02 0.00 0.00 35.03 34.03 1mjg n LYS 394 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1mjg s MET 395 N -1.55 3.96 0.13 1.97 1.75 -0.38 -4.73 119.30 120.46 1mjg s MET 395 Ca 0.13 1.55 -0.04 0.00 -1.25 0.00 0.00 55.69 56.08 1mjg s MET 395 Cb 0.12 -2.40 -0.03 0.00 2.84 0.00 0.00 34.83 35.36 1mjg s MET 395 CO 0.01 -0.32 0.12 -0.65 -0.65 0.00 0.00 175.02 173.53 1mjg s GLN 396 N -2.72 0.96 0.28 4.11 -0.21 -1.26 -4.97 119.66 115.84 1mjg s GLN 396 Ca 0.62 -1.32 0.00 0.00 0.02 0.00 0.00 55.36 54.68 1mjg s GLN 396 Cb -0.22 0.28 0.40 0.00 1.00 0.00 0.00 33.01 34.47 1mjg s GLN 396 CO 0.28 -0.30 1.76 0.00 -2.12 0.00 0.00 175.29 174.91 1mjg h ALA 397 N 2.79 1.14 0.00 6.09 0.00 -2.01 -2.44 119.26 124.84 1mjg h ALA 397 Ca -0.34 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.24 1mjg h ALA 397 Cb 1.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1mjg h ALA 397 CO 0.56 0.54 -0.21 -0.44 0.00 0.00 0.00 179.25 179.70 1mjg h ASP 398 N 0.59 0.00 1.25 0.00 3.45 -2.01 -2.86 116.42 116.83 1mjg h ASP 398 Ca 0.11 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.57 1mjg h ASP 398 Cb 0.51 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.28 1mjg h ASP 398 CO 0.03 0.21 -0.18 0.49 -1.57 0.00 0.00 179.24 178.22 1mjg n PHE 399 N -3.58 0.74 -0.20 4.55 0.99 -0.92 -3.86 117.46 115.19 1mjg n PHE 399 Ca -0.01 0.22 -0.06 0.00 -0.00 0.00 0.00 57.45 57.60 1mjg n PHE 399 Cb 0.36 -0.82 0.04 0.00 -1.00 0.00 0.00 39.48 38.06 1mjg n PHE 399 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1mjg h GLU 400 N 0.00 0.74 -0.45 -1.08 5.08 -1.43 -1.54 114.58 115.90 1mjg h GLU 400 Ca 0.00 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 1mjg h GLU 400 Cb 0.72 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1mjg h GLU 400 CO 0.00 0.49 -0.06 0.78 -1.00 0.00 0.00 179.01 179.21 1mjg h GLY 401 N 0.76 0.84 0.87 -3.84 0.00 -1.75 -0.46 103.07 99.49 1mjg h GLY 401 Ca 0.22 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 1mjg h GLY 401 CO -0.06 0.55 -0.16 -2.08 0.00 0.00 0.00 176.54 174.79 1mjg h VAL 402 N 0.71 0.66 -0.33 4.60 2.07 -1.56 -1.43 116.25 120.98 1mjg h VAL 402 Ca 0.13 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.59 1mjg h VAL 402 Cb 0.53 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1mjg h VAL 402 CO 0.03 0.00 -0.01 -0.07 0.02 0.00 0.00 177.57 177.54 1mjg h LEU 403 N -0.37 0.58 -1.67 2.57 4.07 -1.22 -3.01 115.31 116.27 1mjg h LEU 403 Ca -0.01 -0.31 0.08 0.00 0.08 0.00 0.00 57.88 57.71 1mjg h LEU 403 Cb 0.33 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.88 1mjg h LEU 403 CO -0.01 0.75 0.35 -0.08 -1.08 0.00 0.00 178.44 178.38 1mjg h GLU 404 N 0.40 0.38 -0.03 1.13 4.81 -0.98 -0.87 114.58 119.43 1mjg h GLU 404 Ca 0.09 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1mjg h GLU 404 Cb 0.46 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1mjg h GLU 404 CO 0.02 0.25 -0.23 -0.09 -0.73 0.00 0.00 179.01 178.23 1mjg h ARG 405 N 0.39 0.05 0.00 1.92 2.43 -1.11 -2.70 114.38 115.36 1mjg h ARG 405 Ca 0.23 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1mjg h ARG 405 Cb 0.41 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1mjg h ARG 405 CO -0.06 0.28 0.00 0.54 -1.51 0.00 0.00 179.97 179.22 1mjg n ARG 406 N -4.24 0.19 -0.15 0.20 5.12 -0.33 -3.30 116.66 114.14 1mjg n ARG 406 Ca -0.02 0.23 0.06 0.00 -1.93 0.00 0.00 57.85 56.20 1mjg n ARG 406 Cb 0.30 -1.75 0.37 0.00 -1.16 0.00 0.00 32.46 30.23 1mjg n ARG 406 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 1mjg h ILE 407 N 0.00 1.02 -0.25 0.55 2.04 -1.48 0.05 117.51 119.44 1mjg h ILE 407 Ca 0.00 -0.24 0.04 0.00 1.00 0.00 0.00 64.86 65.66 1mjg h ILE 407 Cb 0.58 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 1mjg h ILE 407 CO 0.00 0.13 0.02 -0.74 0.00 0.00 0.00 178.15 177.56 1mjg h HIS 408 N 0.70 0.02 -0.03 1.37 2.76 -1.75 -2.09 115.15 116.14 1mjg h HIS 408 Ca 0.29 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.45 1mjg h HIS 408 Cb 0.23 0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.22 1mjg h HIS 408 CO -0.00 -0.02 -0.07 -0.44 -1.30 0.00 0.00 177.93 176.10 1mjg h ASP 409 N 0.10 0.11 -0.97 3.26 3.32 -1.48 -2.73 116.42 118.04 1mjg h ASP 409 Ca 0.12 -0.60 0.14 0.00 0.02 0.00 0.00 57.03 56.70 1mjg h ASP 409 Cb 0.14 -0.03 -0.09 0.00 0.22 0.00 0.00 39.33 39.57 1mjg h ASP 409 CO -0.19 0.69 0.59 -0.26 -1.72 0.00 0.00 179.24 178.35 1mjg h PHE 410 N -0.46 1.05 -0.01 4.55 0.04 -0.98 -2.24 116.94 118.89 1mjg h PHE 410 Ca -0.00 0.03 -0.21 0.00 2.80 0.00 0.00 57.97 60.59 1mjg h PHE 410 Cb 0.68 -0.33 0.02 0.00 2.20 0.00 0.00 35.95 38.52 1mjg h PHE 410 CO 0.13 0.36 -0.82 0.82 -0.60 0.00 0.00 178.31 178.20 1mjg h ILE 411 N 0.88 1.34 0.00 -0.55 2.04 -1.46 -3.28 117.51 116.49 1mjg h ILE 411 Ca 0.50 -2.14 -0.01 0.00 1.00 0.00 0.00 64.86 64.20 1mjg h ILE 411 Cb 0.58 2.44 -0.00 0.00 -0.74 0.00 0.00 36.82 39.10 1mjg h ILE 411 CO -0.30 0.65 -0.06 0.78 0.00 0.00 0.00 178.15 179.22 1mjg h ASN 412 N 0.18 0.00 0.34 1.72 2.35 -1.11 -1.98 115.58 117.09 1mjg h ASN 412 Ca -0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1mjg h ASN 412 Cb 1.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.87 1mjg h ASN 412 CO 0.16 0.06 0.00 1.88 -1.65 0.00 0.00 177.43 177.88 1mjg h TYR 413 N 0.00 0.00 -3.40 1.19 0.99 -1.48 -3.21 116.97 111.07 1mjg h TYR 413 Ca -0.00 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.20 1mjg h TYR 413 Cb 0.14 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 37.86 1mjg h TYR 413 CO 0.00 0.00 0.41 0.20 -0.00 0.00 0.00 178.16 178.77 1mjg s GLY 414 N -3.76 2.82 -0.42 3.88 0.00 -0.74 -0.75 107.32 108.35 1mjg s GLY 414 Ca -0.01 0.62 -0.28 0.00 0.00 0.00 0.00 44.72 45.05 1mjg s GLY 414 CO 0.34 1.72 1.59 1.85 0.00 0.00 0.00 173.10 178.61 1mjg s GLU 415 N 0.79 3.36 0.00 2.90 2.12 -0.27 -1.74 118.70 125.86 1mjg s GLU 415 Ca 0.52 1.01 0.00 0.00 0.36 0.00 0.00 54.97 56.87 1mjg s GLU 415 Cb -0.24 -4.13 0.00 0.00 0.26 0.00 0.00 34.13 30.02 1mjg s GLU 415 CO 0.29 -1.83 0.00 0.41 -0.54 0.00 0.00 175.26 173.59 1mjg n GLY 416 N 5.29 0.75 3.49 -1.50 0.00 -1.26 -4.65 105.19 107.31 1mjg n GLY 416 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1mjg n GLY 416 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mjg s LEU 417 N 0.00 3.17 0.07 0.99 1.43 -0.71 -0.87 118.68 122.75 1mjg s LEU 417 Ca 0.00 -0.14 0.05 0.00 -1.03 0.00 0.00 54.13 53.01 1mjg s LEU 417 Cb 0.00 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 1mjg s LEU 417 CO 0.00 0.19 -0.15 0.86 0.23 0.00 0.00 176.35 177.48 1mjg s TRP 418 N 0.22 1.29 -0.27 0.29 -0.00 -0.23 -4.47 118.94 115.77 1mjg s TRP 418 Ca -0.03 -0.43 -0.24 0.00 -0.00 0.00 0.00 56.10 55.40 1mjg s TRP 418 Cb -0.14 -0.73 0.07 0.00 -0.00 0.00 0.00 33.47 32.67 1mjg s TRP 418 CO 0.03 0.07 0.72 -1.58 -0.00 0.00 0.00 176.95 176.18 1mjg s HIS 419 N -1.14 -0.83 0.06 5.86 5.65 -1.26 -2.00 115.29 121.63 1mjg s HIS 419 Ca -0.00 1.96 -0.08 0.00 0.25 0.00 0.00 55.06 57.19 1mjg s HIS 419 Cb -0.09 0.32 -0.00 0.00 -1.18 0.00 0.00 32.58 31.62 1mjg s HIS 419 CO 0.02 -0.40 0.16 0.95 -0.65 0.00 0.00 174.74 174.82 1mjg s THR 420 N 0.55 0.14 0.00 0.89 -4.23 -1.04 -4.92 115.64 107.03 1mjg s THR 420 Ca -0.01 -1.13 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 1mjg s THR 420 Cb -0.05 -1.16 0.00 0.00 1.34 0.00 0.00 72.50 72.63 1mjg s THR 420 CO -0.02 -0.62 0.00 0.61 -0.54 0.00 0.00 174.62 174.05 1mjg n GLY 421 N 0.29 -2.05 3.82 3.99 0.00 -1.26 -2.79 105.19 107.19 1mjg n GLY 421 Ca -0.17 -1.53 -0.08 0.00 0.00 0.00 0.00 46.02 44.24 1mjg n GLY 421 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1mjg s GLN 422 N -0.02 2.11 3.59 1.61 -2.07 -1.25 -4.86 119.66 118.77 1mjg s GLN 422 Ca 0.00 -1.34 0.00 0.00 -1.82 0.00 0.00 55.36 52.20 1mjg s GLN 422 Cb 0.00 0.60 0.00 0.00 -1.09 0.00 0.00 33.01 32.52 1mjg s GLN 422 CO 0.00 -0.98 0.00 0.54 -1.32 0.00 0.00 175.29 173.53 1mjg n ARG 423 N -0.54 0.00 -0.99 9.60 1.74 -1.26 -0.46 116.66 124.76 1mjg n ARG 423 Ca -0.07 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.95 1mjg n ARG 423 Cb 0.60 0.00 0.29 0.00 -1.02 0.00 0.00 32.46 32.33 1mjg n ARG 423 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1mjg n ASN 424 N 3.38 4.75 -1.15 0.55 2.04 -1.26 -1.36 115.26 122.21 1mjg n ASN 424 Ca 0.00 -3.16 -0.04 0.00 -0.44 0.00 0.00 54.58 50.94 1mjg n ASN 424 Cb 0.00 -0.74 0.14 0.00 -2.53 0.00 0.00 39.78 36.65 1mjg n ASN 424 CO 0.00 0.00 0.00 -0.38 -0.44 0.00 0.00 177.26 176.44 1mjg n ILE 425 N -0.11 2.20 -1.16 1.53 5.41 0.40 -4.77 119.36 122.86 1mjg n ILE 425 Ca 0.39 -3.46 -0.30 0.00 1.00 0.00 0.00 62.75 60.39 1mjg n ILE 425 Cb 1.35 -0.44 0.23 0.00 -0.71 0.00 0.00 39.64 40.07 1mjg n ILE 425 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 1mjg s ASN 426 N -3.31 1.27 -0.30 4.38 0.02 -1.22 -3.74 114.94 112.04 1mjg s ASN 426 Ca 0.42 0.66 -0.12 0.00 -1.02 0.00 0.00 52.86 52.80 1mjg s ASN 426 Cb 0.38 -0.94 0.18 0.00 0.02 0.00 0.00 41.25 40.90 1mjg s ASN 426 CO -0.04 -3.91 1.06 0.86 0.02 0.00 0.00 177.10 175.09 1mjg s TRP 427 N -3.07 -0.44 0.28 2.20 -0.00 -1.12 -0.35 118.94 116.44 1mjg s TRP 427 Ca 0.70 0.29 0.08 0.00 -0.00 0.00 0.00 56.10 57.18 1mjg s TRP 427 Cb -0.10 0.09 -0.04 0.00 -0.00 0.00 0.00 33.47 33.42 1mjg s TRP 427 CO 0.56 -0.26 0.16 -0.51 -0.00 0.00 0.00 176.95 176.90 1mjg s LEU 428 N 2.96 3.56 -0.20 5.86 2.01 0.15 -2.49 118.68 130.52 1mjg s LEU 428 Ca 0.22 -0.45 -0.18 0.00 0.01 0.00 0.00 54.13 53.73 1mjg s LEU 428 Cb -0.03 -2.09 0.05 0.00 0.01 0.00 0.00 46.19 44.13 1mjg s LEU 428 CO -0.21 -0.11 0.52 -0.13 1.01 0.00 0.00 176.35 177.43 1mjg s ARG 429 N -3.83 0.61 -0.10 1.70 0.52 -0.85 -2.42 118.95 114.58 1mjg s ARG 429 Ca 0.34 0.73 0.02 0.00 -0.52 0.00 0.00 55.73 56.30 1mjg s ARG 429 Cb -0.06 0.29 0.02 0.00 0.52 0.00 0.00 34.95 35.71 1mjg s ARG 429 CO 0.24 -0.07 -0.14 0.08 0.02 0.00 0.00 175.30 175.42 1mjg s VAL 430 N 0.29 1.40 0.50 3.52 1.01 -1.01 -1.07 120.40 125.05 1mjg s VAL 430 Ca -0.00 -0.58 -0.20 0.00 0.00 0.00 0.00 61.98 61.19 1mjg s VAL 430 Cb -0.04 -1.29 -0.08 0.00 0.00 0.00 0.00 36.38 34.97 1mjg s VAL 430 CO 0.00 0.42 1.07 -0.94 0.00 0.00 0.00 175.10 175.65 1mjg s SER 431 N 1.02 6.18 0.51 3.32 1.04 -0.05 -0.10 113.70 125.62 1mjg s SER 431 Ca -0.06 2.01 0.26 0.00 0.48 0.00 0.00 55.95 58.64 1mjg s SER 431 Cb -0.15 -2.57 1.36 0.00 0.10 0.00 0.00 66.02 64.77 1mjg s SER 431 CO -0.02 -0.89 2.04 0.07 0.98 0.00 0.00 173.24 175.42 1mjg h LYS 432 N 1.51 0.00 -0.32 4.02 2.10 -0.74 -1.91 116.57 121.24 1mjg h LYS 432 Ca -0.50 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.03 1mjg h LYS 432 Cb 1.23 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.55 1mjg h LYS 432 CO 0.59 0.14 -0.33 0.22 -2.00 0.00 0.00 179.45 178.07 1mjg h ASP 433 N 0.00 0.72 -0.39 7.07 -0.00 -1.91 -0.68 116.42 121.23 1mjg h ASP 433 Ca -0.00 -0.30 -0.09 0.00 -0.00 0.00 0.00 57.03 56.64 1mjg h ASP 433 Cb 0.39 -0.20 -0.01 0.00 -0.00 0.00 0.00 39.33 39.50 1mjg h ASP 433 CO 0.02 0.99 -0.11 0.00 -0.00 0.00 0.00 179.24 180.14 1mjg h ALA 434 N 1.05 0.53 -0.52 -0.78 0.00 -1.65 -2.10 119.26 115.80 1mjg h ALA 434 Ca 0.06 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1mjg h ALA 434 Cb 0.84 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1mjg h ALA 434 CO 0.07 0.41 0.22 0.28 0.00 0.00 0.00 179.25 180.23 1mjg h VAL 435 N 0.56 1.21 -0.70 0.00 2.07 -1.32 -2.11 116.25 115.96 1mjg h VAL 435 Ca 0.10 -0.63 0.05 0.00 0.82 0.00 0.00 66.70 67.03 1mjg h VAL 435 Cb 0.63 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1mjg h VAL 435 CO 0.04 0.24 0.46 0.00 0.02 0.00 0.00 177.57 178.33 1mjg h ALA 436 N 1.06 1.65 0.00 1.67 0.00 -0.99 0.01 119.26 122.67 1mjg h ALA 436 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1mjg h ALA 436 Cb 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1mjg h ALA 436 CO -0.02 0.26 0.00 0.87 0.00 0.00 0.00 179.25 180.36 1mjg h LYS 437 N 0.79 0.00 0.00 0.00 1.57 -0.75 -3.46 116.57 114.72 1mjg h LYS 437 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1mjg h LYS 437 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1mjg h LYS 437 CO -0.09 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.20 1mjg n GLY 438 N 0.15 1.38 3.71 3.86 0.00 -0.01 -4.81 105.19 109.47 1mjg n GLY 438 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1mjg n GLY 438 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1mjg s PHE 439 N -1.93 2.98 0.06 1.61 5.36 -0.85 -4.85 117.98 120.37 1mjg s PHE 439 Ca 0.00 0.70 0.05 0.00 -0.96 0.00 0.00 56.93 56.71 1mjg s PHE 439 Cb 0.00 -3.83 -0.03 0.00 -0.34 0.00 0.00 43.02 38.83 1mjg s PHE 439 CO 0.00 -3.06 -0.13 1.03 -1.46 0.00 0.00 175.22 171.60 1mjg s ARG 440 N 1.54 0.76 0.63 10.12 3.00 -1.26 -4.64 118.95 129.09 1mjg s ARG 440 Ca 0.68 -0.91 0.23 0.00 0.00 0.00 0.00 55.73 55.73 1mjg s ARG 440 Cb -0.39 -0.72 1.12 0.00 0.00 0.00 0.00 34.95 34.96 1mjg s ARG 440 CO 0.31 0.16 1.61 0.74 0.00 0.00 0.00 175.30 178.11 1mjg h PHE 441 N 4.34 0.00 -0.59 -0.53 0.05 -1.96 0.58 116.94 118.84 1mjg h PHE 441 Ca -0.40 0.00 0.02 0.00 3.82 0.00 0.00 57.97 61.41 1mjg h PHE 441 Cb 1.19 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 39.11 1mjg h PHE 441 CO 0.63 0.00 0.39 -0.22 -0.18 0.00 0.00 178.31 178.93 1mjg h LYS 442 N 0.00 0.74 -0.45 1.51 3.64 -1.97 -1.94 116.57 118.10 1mjg h LYS 442 Ca 0.17 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1mjg h LYS 442 Cb 1.55 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 33.18 1mjg h LYS 442 CO -0.00 0.49 0.30 -0.91 -2.27 0.00 0.00 179.45 177.05 1mjg h ASN 443 N 0.76 0.50 -0.38 4.20 -0.26 -0.23 -1.68 115.58 118.49 1mjg h ASN 443 Ca 0.22 -0.01 0.06 0.00 -0.56 0.00 0.00 56.30 56.02 1mjg h ASN 443 Cb -0.03 -0.12 -0.06 0.00 -1.06 0.00 0.00 38.32 37.05 1mjg h ASN 443 CO -0.05 0.36 0.04 1.88 -1.06 0.00 0.00 177.43 178.59 1mjg h TYR 444 N 0.59 0.05 -0.63 1.19 0.05 -1.48 -1.27 116.97 115.47 1mjg h TYR 444 Ca 0.17 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.95 1mjg h TYR 444 Cb -0.04 0.04 -0.03 0.00 1.01 0.00 0.00 36.73 37.71 1mjg h TYR 444 CO -0.00 -0.03 0.31 0.78 -1.05 0.00 0.00 178.16 178.17 1mjg h GLY 445 N 0.15 0.97 0.86 3.88 0.00 -1.40 -1.90 103.07 105.62 1mjg h GLY 445 Ca 0.19 -0.47 0.03 0.00 0.00 0.00 0.00 47.33 47.08 1mjg h GLY 445 CO -0.28 0.45 0.45 0.83 0.00 0.00 0.00 176.54 177.99 1mjg h GLU 446 N 0.86 0.85 0.36 4.80 5.08 -0.87 0.13 114.58 125.78 1mjg h GLU 446 Ca 0.22 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1mjg h GLU 446 Cb 0.11 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1mjg h GLU 446 CO -0.03 0.56 -0.17 0.82 -1.00 0.00 0.00 179.01 179.19 1mjg h ILE 447 N 0.87 0.65 -0.95 3.13 2.04 -1.05 -2.19 117.51 120.01 1mjg h ILE 447 Ca 0.29 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.87 1mjg h ILE 447 Cb 0.03 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 1mjg h ILE 447 CO -0.11 0.06 0.62 -0.07 0.00 0.00 0.00 178.15 178.65 1mjg h LEU 448 N -0.66 1.04 0.71 1.44 3.38 -1.14 0.17 115.31 120.24 1mjg h LEU 448 Ca -0.05 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1mjg h LEU 448 Cb 0.47 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.99 1mjg h LEU 448 CO 0.08 0.72 -0.34 0.58 0.09 0.00 0.00 178.44 179.57 1mjg h VAL 449 N 1.21 0.27 -0.69 1.22 2.07 -0.68 -0.72 116.25 118.93 1mjg h VAL 449 Ca 0.37 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.77 1mjg h VAL 449 Cb -0.01 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 1mjg h VAL 449 CO -0.11 0.01 0.31 0.00 0.02 0.00 0.00 177.57 177.80 1mjg h ALA 450 N -0.76 0.89 -0.28 1.67 0.00 -1.23 -2.76 119.26 116.79 1mjg h ALA 450 Ca -0.10 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 1mjg h ALA 450 Cb 0.75 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1mjg h ALA 450 CO 0.16 0.48 -0.37 0.87 0.00 0.00 0.00 179.25 180.38 1mjg h LYS 451 N 0.97 0.74 -0.63 0.00 1.79 -0.99 -1.58 116.57 116.88 1mjg h LYS 451 Ca 0.23 -0.43 0.02 0.00 -2.18 0.00 0.00 60.65 58.29 1mjg h LYS 451 Cb 0.15 0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.80 1mjg h LYS 451 CO -0.03 1.05 0.40 0.52 -1.08 0.00 0.00 179.45 180.32 1mjg h MET 452 N 0.48 0.78 -0.37 3.15 2.86 -1.11 0.53 114.93 121.26 1mjg h MET 452 Ca 0.03 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.54 1mjg h MET 452 Cb 0.96 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 1mjg h MET 452 CO 0.09 0.52 -0.09 0.87 1.06 0.00 0.00 176.91 179.36 1mjg h LYS 453 N 0.80 0.71 -0.07 1.72 1.57 -1.48 -1.78 116.57 118.04 1mjg h LYS 453 Ca 0.24 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1mjg h LYS 453 Cb -0.03 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 1mjg h LYS 453 CO -0.08 0.86 0.01 1.49 -0.57 0.00 0.00 179.45 181.16 1mjg h GLU 454 N 0.51 0.11 -0.10 3.15 4.81 -0.96 -3.16 114.58 118.94 1mjg h GLU 454 Ca 0.09 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.13 1mjg h GLU 454 Cb 0.59 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1mjg h GLU 454 CO 0.04 0.32 -0.63 0.93 -0.73 0.00 0.00 179.01 178.93 1mjg h GLU 455 N -0.12 0.37 -2.19 1.92 4.39 -0.96 -3.38 114.58 114.62 1mjg h GLU 455 Ca 0.02 -0.26 -0.58 0.00 0.34 0.00 0.00 59.36 58.87 1mjg h GLU 455 Cb 0.26 0.04 -0.42 0.00 -0.10 0.00 0.00 28.75 28.54 1mjg h GLU 455 CO 0.00 0.88 -0.71 1.19 -1.16 0.00 0.00 179.01 179.21 1mjg n PHE 456 N -3.88 3.14 -1.83 4.33 3.01 -0.67 -5.10 117.46 116.46 1mjg n PHE 456 Ca -0.03 -4.01 -0.37 0.00 1.01 0.00 0.00 57.45 54.04 1mjg n PHE 456 Cb 0.64 -0.50 0.05 0.00 -0.01 0.00 0.00 39.48 39.66 1mjg n PHE 456 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 1mjg s PRO 457 N -2.73 2.90 0.00 -1.08 0.02 -1.19 -1.04 135.00 131.87 1mjg s PRO 457 Ca 0.43 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.52 1mjg s PRO 457 Cb 0.22 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.70 1mjg s PRO 457 CO -0.07 -1.33 0.00 0.00 -0.33 0.00 0.00 177.00 175.26 1mjg n ALA 458 N -1.47 0.00 0.15 -1.55 0.00 -1.26 -4.39 120.51 111.99 1mjg n ALA 458 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1mjg n ALA 458 Cb 0.47 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.12 1mjg n ALA 458 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1mjg h ILE 459 N 0.00 1.30 -3.67 0.00 2.04 -1.82 -2.87 117.51 112.49 1mjg h ILE 459 Ca 0.00 -2.01 -0.63 0.00 1.00 0.00 0.00 64.86 63.22 1mjg h ILE 459 Cb 0.00 2.12 -0.38 0.00 -0.74 0.00 0.00 36.82 37.82 1mjg h ILE 459 CO 0.00 0.56 -0.78 -0.69 0.00 0.00 0.00 178.15 177.23 1mjg s VAL 460 N -3.56 1.70 -0.07 1.67 1.01 -0.21 -3.74 120.40 117.20 1mjg s VAL 460 Ca -0.01 -1.42 0.12 0.00 0.00 0.00 0.00 61.98 60.67 1mjg s VAL 460 Cb 0.12 -1.97 -0.17 0.00 0.00 0.00 0.00 36.38 34.36 1mjg s VAL 460 CO 0.74 -0.16 0.15 0.47 0.00 0.00 0.00 175.10 176.31 1mjg n ASP 461 N 4.59 2.06 -3.81 3.32 8.00 0.62 -4.64 116.55 126.70 1mjg n ASP 461 Ca -0.11 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.27 1mjg n ASP 461 Cb 0.43 1.16 -0.12 0.00 -0.02 0.00 0.00 41.12 42.57 1mjg n ASP 461 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1mjg s ARG 462 N -2.57 0.22 -0.00 -1.24 0.52 -0.04 -5.01 118.95 110.84 1mjg s ARG 462 Ca -0.05 0.24 0.02 0.00 -0.52 0.00 0.00 55.73 55.43 1mjg s ARG 462 Cb 0.06 0.11 -0.01 0.00 0.52 0.00 0.00 34.95 35.63 1mjg s ARG 462 CO 0.51 -0.03 -0.08 0.08 0.02 0.00 0.00 175.30 175.80 1mjg s VAL 463 N 0.07 0.62 -0.04 3.52 1.01 -1.26 -1.83 120.40 122.50 1mjg s VAL 463 Ca -0.00 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.58 1mjg s VAL 463 Cb -0.01 -0.54 0.02 0.00 0.00 0.00 0.00 36.38 35.85 1mjg s VAL 463 CO 0.00 0.13 -0.02 -1.58 0.00 0.00 0.00 175.10 173.63 1mjg s GLN 464 N -0.31 0.58 -0.02 2.72 0.74 -0.77 -0.61 119.66 121.98 1mjg s GLN 464 Ca 0.02 -0.02 0.06 0.00 0.05 0.00 0.00 55.36 55.47 1mjg s GLN 464 Cb -0.04 -0.66 -0.01 0.00 1.10 0.00 0.00 33.01 33.40 1mjg s GLN 464 CO -0.00 -0.10 -0.21 0.08 -0.55 0.00 0.00 175.29 174.51 1mjg s VAL 465 N 0.94 1.69 -0.07 1.34 1.01 -0.20 -0.15 120.40 124.95 1mjg s VAL 465 Ca -0.11 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 60.97 1mjg s VAL 465 Cb -0.14 -1.41 0.02 0.00 0.00 0.00 0.00 36.38 34.85 1mjg s VAL 465 CO -0.01 0.48 -0.07 -0.89 0.00 0.00 0.00 175.10 174.62 1mjg s THR 466 N -0.43 0.78 -0.37 3.92 2.01 -0.34 -1.61 115.64 119.60 1mjg s THR 466 Ca 0.06 -0.22 -0.09 0.00 0.31 0.00 0.00 61.69 61.75 1mjg s THR 466 Cb -0.09 -0.79 0.05 0.00 0.01 0.00 0.00 72.50 71.68 1mjg s THR 466 CO -0.00 0.30 0.18 -0.63 -0.69 0.00 0.00 174.62 173.77 1mjg s ILE 467 N 1.15 4.16 -0.09 1.82 1.09 0.05 -1.64 121.20 127.74 1mjg s ILE 467 Ca -0.07 -1.13 -0.16 0.00 -1.10 0.00 0.00 60.65 58.20 1mjg s ILE 467 Cb -0.14 -3.40 -0.05 0.00 -1.06 0.00 0.00 42.46 37.81 1mjg s ILE 467 CO -0.01 -0.29 0.42 -0.36 -0.10 0.00 0.00 174.94 174.59 1mjg s PHE 468 N 1.46 3.57 -0.25 3.97 0.40 -0.02 -0.41 117.98 126.69 1mjg s PHE 468 Ca 0.01 0.86 -0.03 0.00 -0.60 0.00 0.00 56.93 57.17 1mjg s PHE 468 Cb -0.20 -2.43 0.08 0.00 0.51 0.00 0.00 43.02 40.98 1mjg s PHE 468 CO 0.04 0.32 0.08 0.95 0.70 0.00 0.00 175.22 177.31 1mjg s THR 469 N 0.09 0.43 0.00 0.64 -4.23 -0.71 -1.01 115.64 110.84 1mjg s THR 469 Ca 0.23 -0.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.92 1mjg s THR 469 Cb -0.15 -1.17 0.00 0.00 1.34 0.00 0.00 72.50 72.52 1mjg s THR 469 CO 0.10 -0.48 0.00 -0.67 -0.54 0.00 0.00 174.62 173.03 1mjg n ASP 470 N 5.06 0.00 0.25 3.99 -0.08 -1.24 -3.91 116.55 120.62 1mjg n ASP 470 Ca -0.06 0.00 0.17 0.00 -1.51 0.00 0.00 54.79 53.39 1mjg n ASP 470 Cb 0.45 0.00 0.84 0.00 2.34 0.00 0.00 41.12 44.75 1mjg n ASP 470 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1mjg h GLU 471 N 0.00 0.00 0.00 -0.67 5.08 -1.98 -2.46 114.58 114.55 1mjg h GLU 471 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1mjg h GLU 471 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1mjg h GLU 471 CO 0.00 0.00 -1.01 0.00 -1.00 0.00 0.00 179.01 177.00 1mjg n ALA 472 N -1.95 2.38 0.04 3.43 0.00 -1.26 -4.17 120.51 118.97 1mjg n ALA 472 Ca -0.01 -0.01 0.17 0.00 0.00 0.00 0.00 53.44 53.59 1mjg n ALA 472 Cb 0.13 0.50 0.66 0.00 0.00 0.00 0.00 19.45 20.73 1mjg n ALA 472 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1mjg h LYS 473 N -0.00 0.04 0.07 0.00 1.79 -1.91 0.10 116.57 116.66 1mjg h LYS 473 Ca -0.00 -0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.22 1mjg h LYS 473 Cb 1.01 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.63 1mjg h LYS 473 CO -0.00 0.03 -1.26 0.28 -1.08 0.00 0.00 179.45 177.42 1mjg h VAL 474 N 0.04 1.05 -0.31 0.50 2.07 -1.71 -3.31 116.25 114.59 1mjg h VAL 474 Ca 0.21 -2.32 0.09 0.00 0.82 0.00 0.00 66.70 65.50 1mjg h VAL 474 Cb 0.79 2.62 -0.01 0.00 -1.52 0.00 0.00 31.29 33.18 1mjg h VAL 474 CO -0.01 0.59 0.31 0.11 0.02 0.00 0.00 177.57 178.59 1mjg h LYS 475 N -0.56 0.00 -0.85 1.57 1.79 -1.57 0.64 116.57 117.59 1mjg h LYS 475 Ca -0.29 0.00 0.10 0.00 -2.18 0.00 0.00 60.65 58.28 1mjg h LYS 475 Cb 1.56 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 32.14 1mjg h LYS 475 CO -0.03 0.00 0.49 1.49 -1.08 0.00 0.00 179.45 180.32 1mjg h GLU 476 N 0.00 0.77 -0.00 3.15 4.81 -0.90 -2.10 114.58 120.31 1mjg h GLU 476 Ca 0.15 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1mjg h GLU 476 Cb 0.77 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1mjg h GLU 476 CO -0.00 0.51 -0.72 0.66 -0.73 0.00 0.00 179.01 178.73 1mjg n TYR 477 N -4.74 0.00 -0.16 0.92 4.02 0.68 -4.41 117.16 113.47 1mjg n TYR 477 Ca 0.15 0.00 0.29 0.00 -0.01 0.00 0.00 57.90 58.32 1mjg n TYR 477 Cb 0.30 0.00 0.72 0.00 -0.02 0.00 0.00 39.34 40.34 1mjg n TYR 477 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 176.86 177.83 1mjg h MET 478 N 0.39 0.00 -0.01 -0.72 4.05 0.83 0.18 114.93 119.66 1mjg h MET 478 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1mjg h MET 478 Cb 0.45 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.25 1mjg h MET 478 CO 0.00 0.00 -0.10 0.39 0.23 0.00 0.00 176.91 177.43 1mjg n GLU 479 N -4.05 1.42 0.27 0.39 1.02 -1.25 -4.18 120.64 114.26 1mjg n GLU 479 Ca 0.18 -0.71 0.16 0.00 -0.02 0.00 0.00 57.16 56.77 1mjg n GLU 479 Cb 1.01 -1.07 0.70 0.00 -0.02 0.00 0.00 31.44 32.06 1mjg n GLU 479 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1mjg h VAL 480 N 1.17 0.19 0.00 2.62 2.07 -0.85 -1.48 116.25 119.97 1mjg h VAL 480 Ca 0.00 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1mjg h VAL 480 Cb 0.30 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1mjg h VAL 480 CO 0.00 0.06 -1.74 0.00 0.02 0.00 0.00 177.57 175.91 1mjg n ALA 481 N -2.14 3.22 -0.35 1.67 0.00 -1.17 -4.29 120.51 117.44 1mjg n ALA 481 Ca -0.00 -0.53 0.14 0.00 0.00 0.00 0.00 53.44 53.05 1mjg n ALA 481 Cb 0.30 -0.77 0.34 0.00 0.00 0.00 0.00 19.45 19.32 1mjg n ALA 481 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1mjg h ARG 482 N 0.00 0.70 -0.13 0.00 9.65 -1.43 0.22 114.38 123.39 1mjg h ARG 482 Ca 0.00 -0.04 -0.18 0.00 -1.10 0.00 0.00 59.98 58.66 1mjg h ARG 482 Cb 0.89 -0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 29.31 1mjg h ARG 482 CO 0.00 0.46 -0.66 1.05 2.80 0.00 0.00 179.97 183.63 1mjg h GLU 483 N 0.72 0.50 -0.18 0.20 4.11 -1.74 -3.03 114.58 115.15 1mjg h GLU 483 Ca 0.59 -0.36 -0.05 0.00 0.07 0.00 0.00 59.36 59.61 1mjg h GLU 483 Cb 0.98 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 1mjg h GLU 483 CO -0.40 0.99 -0.10 0.87 0.07 0.00 0.00 179.01 180.43 1mjg h LYS 484 N 0.36 0.38 -0.22 1.06 1.79 -0.85 -1.83 116.57 117.26 1mjg h LYS 484 Ca -0.02 -0.17 0.03 0.00 -2.18 0.00 0.00 60.65 58.31 1mjg h LYS 484 Cb 1.22 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.83 1mjg h LYS 484 CO 0.12 0.70 0.03 1.88 -1.08 0.00 0.00 179.45 181.10 1mjg h TYR 485 N 0.06 0.05 -0.39 -1.35 0.99 -1.12 -0.59 116.97 114.62 1mjg h TYR 485 Ca 0.04 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.77 1mjg h TYR 485 Cb 0.59 0.01 -0.02 0.00 1.00 0.00 0.00 36.73 38.31 1mjg h TYR 485 CO 0.07 0.01 0.20 0.87 -0.00 0.00 0.00 178.16 179.30 1mjg h LYS 486 N 0.11 0.56 -0.39 4.88 1.57 -1.55 0.13 116.57 121.89 1mjg h LYS 486 Ca 0.10 -0.08 0.06 0.00 -1.87 0.00 0.00 60.65 58.86 1mjg h LYS 486 Cb 0.10 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.25 1mjg h LYS 486 CO -0.14 0.48 0.06 0.93 -0.57 0.00 0.00 179.45 180.22 1mjg h GLU 487 N 0.50 0.18 -0.25 3.15 5.08 -1.00 -1.04 114.58 121.20 1mjg h GLU 487 Ca 0.14 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1mjg h GLU 487 Cb 0.10 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1mjg h GLU 487 CO -0.02 0.12 0.06 0.00 -1.00 0.00 0.00 179.01 178.17 1mjg h ARG 488 N 0.19 0.40 -0.97 2.33 3.08 -0.87 -1.64 114.38 116.90 1mjg h ARG 488 Ca 0.19 -0.10 0.08 0.00 0.07 0.00 0.00 59.98 60.22 1mjg h ARG 488 Cb 0.23 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.16 1mjg h ARG 488 CO -0.26 0.50 0.62 -0.44 -1.07 0.00 0.00 179.97 179.33 1mjg h ASP 489 N 0.22 0.95 -0.07 7.04 3.32 -0.63 -0.69 116.42 126.58 1mjg h ASP 489 Ca 0.08 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1mjg h ASP 489 Cb 0.28 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 1mjg h ASP 489 CO 0.00 0.59 -0.02 0.44 -1.72 0.00 0.00 179.24 178.53 1mjg h ASP 490 N 1.07 0.13 -0.34 6.45 3.45 -0.99 -2.42 116.42 123.77 1mjg h ASP 490 Ca 0.43 -0.37 -0.00 0.00 0.43 0.00 0.00 57.03 57.52 1mjg h ASP 490 Cb 0.27 -0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 38.99 1mjg h ASP 490 CO -0.18 0.47 0.22 0.03 -1.57 0.00 0.00 179.24 178.21 1mjg h ARG 491 N -0.21 0.47 -0.51 3.56 3.08 -0.90 -2.48 114.38 117.38 1mjg h ARG 491 Ca 0.02 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 1mjg h ARG 491 Cb 0.42 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1mjg h ARG 491 CO 0.01 0.32 -0.04 0.52 -1.07 0.00 0.00 179.97 179.71 1mjg h MET 492 N 0.48 0.93 -0.20 0.04 2.86 -0.99 -2.43 114.93 115.62 1mjg h MET 492 Ca 0.13 -0.32 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 1mjg h MET 492 Cb -0.03 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 1mjg h MET 492 CO -0.03 0.97 0.04 0.00 1.06 0.00 0.00 176.91 178.96 1mjg h ARG 493 N 0.80 0.29 -0.01 1.72 3.08 -0.97 -0.52 114.38 118.76 1mjg h ARG 493 Ca 0.14 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1mjg h ARG 493 Cb 0.58 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1mjg h ARG 493 CO 0.03 0.28 -0.04 0.41 -1.07 0.00 0.00 179.97 179.58 1mjg n GLY 494 N -1.25 -0.48 3.29 0.04 0.00 -1.07 -4.62 105.19 101.11 1mjg n GLY 494 Ca 0.00 -0.35 -0.45 0.00 0.00 0.00 0.00 46.02 45.22 1mjg n GLY 494 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1mjg s LEU 495 N -2.12 6.38 0.41 0.99 2.96 -0.21 -4.81 118.68 122.28 1mjg s LEU 495 Ca 0.38 -2.39 0.04 0.00 -0.22 0.00 0.00 54.13 51.94 1mjg s LEU 495 Cb 0.21 -2.16 -0.05 0.00 0.50 0.00 0.00 46.19 44.69 1mjg s LEU 495 CO 0.38 -0.64 0.05 0.42 -1.32 0.00 0.00 176.35 175.24 1mjg s THR 496 N 0.64 1.25 0.14 3.68 -4.23 -1.26 -4.88 115.64 110.97 1mjg s THR 496 Ca 0.13 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.49 1mjg s THR 496 Cb -0.18 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.06 1mjg s THR 496 CO -0.04 0.00 1.65 0.44 -0.54 0.00 0.00 174.62 176.12 1mjg h ASP 497 N 1.78 0.64 -0.11 3.99 5.19 -1.95 2.49 116.42 128.46 1mjg h ASP 497 Ca -0.41 -0.22 -0.04 0.00 -0.62 0.00 0.00 57.03 55.74 1mjg h ASP 497 Cb 1.27 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 40.60 1mjg h ASP 497 CO 0.71 0.69 -0.07 -0.33 -3.12 0.00 0.00 179.24 177.12 1mjg h GLU 498 N 0.56 0.24 0.00 3.56 3.07 -1.99 -2.84 114.58 117.18 1mjg h GLU 498 Ca 0.14 -0.11 -0.06 0.00 -0.50 0.00 0.00 59.36 58.82 1mjg h GLU 498 Cb 0.29 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1mjg h GLU 498 CO -0.00 0.62 -0.28 1.15 -1.40 0.00 0.00 179.01 179.10 1mjg h THR 499 N -0.14 0.72 -3.13 1.13 2.02 -1.84 -3.43 112.91 108.23 1mjg h THR 499 Ca 0.02 -1.23 -0.59 0.00 0.77 0.00 0.00 66.41 65.39 1mjg h THR 499 Cb 0.56 1.78 -0.04 0.00 -1.74 0.00 0.00 68.15 68.72 1mjg h THR 499 CO 0.02 0.27 -0.33 0.54 0.37 0.00 0.00 175.52 176.39 1mjg s VAL 500 N -3.71 5.19 -0.97 3.16 0.11 0.84 -4.78 120.40 120.24 1mjg s VAL 500 Ca -0.00 -0.00 0.12 0.00 -2.93 0.00 0.00 61.98 59.16 1mjg s VAL 500 Cb 0.11 -3.62 0.34 0.00 -1.53 0.00 0.00 36.38 31.68 1mjg s VAL 500 CO 0.65 0.06 1.28 -0.90 -3.33 0.00 0.00 175.10 172.87 1mjg n ASP 501 N 0.15 3.05 -3.79 3.54 5.75 -1.26 -4.70 116.55 119.29 1mjg n ASP 501 Ca -0.03 -2.04 -0.13 0.00 -0.01 0.00 0.00 54.79 52.58 1mjg n ASP 501 Cb 0.52 -0.26 -0.13 0.00 -1.03 0.00 0.00 41.12 40.21 1mjg n ASP 501 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1mjg s THR 502 N -1.08 -0.02 0.33 2.12 2.01 -1.26 -1.68 115.64 116.06 1mjg s THR 502 Ca 0.26 0.06 0.08 0.00 0.31 0.00 0.00 61.69 62.40 1mjg s THR 502 Cb 0.14 -0.27 -0.04 0.00 0.01 0.00 0.00 72.50 72.34 1mjg s THR 502 CO 0.17 0.02 0.13 -0.36 -0.69 0.00 0.00 174.62 173.89 1mjg s PHE 503 N 0.49 2.74 0.03 4.92 2.99 -0.19 -4.89 117.98 124.07 1mjg s PHE 503 Ca -0.03 -0.34 0.06 0.00 0.00 0.00 0.00 56.93 56.61 1mjg s PHE 503 Cb -0.05 -1.58 -0.02 0.00 0.00 0.00 0.00 43.02 41.37 1mjg s PHE 503 CO -0.02 0.38 -0.18 0.71 -0.00 0.00 0.00 175.22 176.11 1mjg s TYR 504 N -2.39 1.54 0.53 0.36 1.51 -0.32 0.57 117.35 119.14 1mjg s TYR 504 Ca 0.37 -0.35 0.09 0.00 -1.01 0.00 0.00 57.07 56.17 1mjg s TYR 504 Cb -0.03 -0.93 0.06 0.00 -0.11 0.00 0.00 41.96 40.94 1mjg s TYR 504 CO 0.23 0.05 0.69 -1.54 -1.11 0.00 0.00 175.55 173.86 1mjg s SER 505 N -0.99 5.21 -0.30 2.29 1.04 -0.81 0.12 113.70 120.25 1mjg s SER 505 Ca 0.05 -0.76 -0.11 0.00 0.48 0.00 0.00 55.95 55.61 1mjg s SER 505 Cb -0.08 0.02 0.13 0.00 0.10 0.00 0.00 66.02 66.20 1mjg s SER 505 CO 0.01 -1.15 0.70 0.00 0.98 0.00 0.00 173.24 173.78 1mjg n VAL 507 N 5.33 1.96 -0.37 0.00 0.24 0.00 -2.17 118.33 123.33 1mjg n VAL 507 Ca -0.12 -2.81 0.00 0.00 -2.04 0.00 0.00 64.34 59.38 1mjg n VAL 507 Cb 0.50 -0.16 0.14 0.00 -1.47 0.00 0.00 33.84 32.85 1mjg n VAL 507 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1mjg h LEU 508 N 0.72 1.07 0.00 1.34 5.85 -1.92 -1.72 115.31 120.64 1mjg h LEU 508 Ca -0.01 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1mjg h LEU 508 Cb 1.06 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.85 1mjg h LEU 508 CO 0.01 0.73 0.00 0.00 -0.34 0.00 0.00 178.44 178.83 1mjg n GLN 510 N -1.21 0.04 0.23 0.00 6.02 -0.65 0.25 117.38 122.06 1mjg n GLN 510 Ca 0.12 0.42 0.09 0.00 -0.01 0.00 0.00 57.00 57.61 1mjg n GLN 510 Cb 0.15 -1.60 0.56 0.00 1.02 0.00 0.00 30.24 30.37 1mjg n GLN 510 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1mjg h SER 511 N 0.00 0.00 0.00 1.08 4.64 -1.78 -2.86 113.55 114.64 1mjg h SER 511 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1mjg h SER 511 Cb 0.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1mjg h SER 511 CO 0.00 0.21 -1.02 0.49 -0.87 0.00 0.00 176.83 175.65 1mjg n PHE 512 N -3.81 0.00 -3.59 4.77 3.01 -0.24 -4.82 117.46 112.79 1mjg n PHE 512 Ca -0.02 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.17 1mjg n PHE 512 Cb 0.31 -0.01 -0.10 0.00 -0.01 0.00 0.00 39.48 39.67 1mjg n PHE 512 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1mjg n ALA 513 N -1.71 3.41 -0.20 4.37 0.00 0.14 -2.12 120.51 124.39 1mjg n ALA 513 Ca -0.00 -4.23 0.07 0.00 0.00 0.00 0.00 53.44 49.28 1mjg n ALA 513 Cb 0.21 -0.92 0.15 0.00 0.00 0.00 0.00 19.45 18.89 1mjg n ALA 513 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1mjg n PRO 514 N 1.72 -0.05 0.00 0.00 -0.02 -1.08 -1.42 135.00 134.15 1mjg n PRO 514 Ca 0.25 0.87 0.10 0.00 -2.02 0.00 0.00 63.50 62.69 1mjg n PRO 514 Cb 0.41 -1.35 -0.02 0.00 -0.02 0.00 0.00 33.50 32.52 1mjg n PRO 514 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1mjg n ASN 515 N -4.77 1.80 -4.77 2.55 3.02 -1.26 -4.82 115.26 107.01 1mjg n ASN 515 Ca 0.12 -1.40 -0.38 0.00 -0.03 0.00 0.00 54.58 52.90 1mjg n ASN 515 Cb 0.40 0.55 -0.01 0.00 -0.61 0.00 0.00 39.78 40.11 1mjg n ASN 515 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1mjg s HIS 516 N -2.42 2.94 -0.12 3.10 2.46 -0.51 -4.30 115.29 116.44 1mjg s HIS 516 Ca 0.16 1.53 -0.06 0.00 0.47 0.00 0.00 55.06 57.16 1mjg s HIS 516 Cb 0.17 -3.40 0.05 0.00 -0.13 0.00 0.00 32.58 29.26 1mjg s HIS 516 CO 0.58 -1.47 0.28 0.08 -2.47 0.00 0.00 174.74 171.73 1mjg s VAL 517 N -1.48 -0.11 0.01 0.89 1.01 -1.26 -4.62 120.40 114.84 1mjg s VAL 517 Ca 0.61 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.74 1mjg s VAL 517 Cb -0.30 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 1mjg s VAL 517 CO 0.37 0.07 0.16 0.00 0.00 0.00 0.00 175.10 175.70 1mjg s ILE 519 N -1.34 2.88 -0.25 0.00 -1.09 -1.26 -2.20 121.20 117.94 1mjg s ILE 519 Ca 0.28 -1.41 -0.12 0.00 -2.23 0.00 0.00 60.65 57.17 1mjg s ILE 519 Cb -0.13 -2.66 -0.05 0.00 -1.58 0.00 0.00 42.46 38.05 1mjg s ILE 519 CO 0.20 -0.09 0.23 -0.69 -1.23 0.00 0.00 174.94 173.36 1mjg s VAL 520 N 1.24 5.30 0.29 2.92 1.01 0.31 -4.91 120.40 126.56 1mjg s VAL 520 Ca -0.06 0.30 0.11 0.00 0.00 0.00 0.00 61.98 62.33 1mjg s VAL 520 Cb -0.20 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 1mjg s VAL 520 CO -0.02 0.28 -0.16 0.42 0.00 0.00 0.00 175.10 175.62 1mjg s THR 521 N 1.45 2.35 0.43 3.92 -4.23 -0.95 -1.18 115.64 117.42 1mjg s THR 521 Ca 0.10 -2.33 0.22 0.00 -1.18 0.00 0.00 61.69 58.50 1mjg s THR 521 Cb -0.15 -2.38 0.42 0.00 1.34 0.00 0.00 72.50 71.73 1mjg s THR 521 CO 0.08 -0.35 1.78 -0.65 -0.54 0.00 0.00 174.62 174.93 1mjg h PRO 522 N 2.22 0.29 -0.63 3.99 0.11 -1.90 -0.15 132.00 135.93 1mjg h PRO 522 Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1mjg h PRO 522 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1mjg h PRO 522 CO 0.63 0.19 0.00 0.39 -0.21 0.00 0.00 178.00 179.01 1mjg n GLU 523 N -4.53 3.13 -3.38 1.05 1.02 -1.26 -4.79 120.64 111.87 1mjg n GLU 523 Ca 0.25 -2.67 -0.16 0.00 -0.02 0.00 0.00 57.16 54.56 1mjg n GLU 523 Cb 0.95 -1.66 -0.09 0.00 -0.02 0.00 0.00 31.44 30.62 1mjg n GLU 523 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1mjg s ARG 524 N -1.37 0.37 0.79 3.49 3.52 -0.07 -4.61 118.95 121.07 1mjg s ARG 524 Ca 0.46 -0.18 -0.11 0.00 -0.13 0.00 0.00 55.73 55.77 1mjg s ARG 524 Cb 0.27 -0.62 0.07 0.00 -1.56 0.00 0.00 34.95 33.11 1mjg s ARG 524 CO 0.27 -1.05 1.09 0.14 -0.81 0.00 0.00 175.30 174.94 1mjg s VAL 525 N 2.29 3.24 0.63 7.11 -7.23 -1.26 -2.24 120.40 122.94 1mjg s VAL 525 Ca 0.10 0.40 -0.19 0.00 -1.81 0.00 0.00 61.98 60.49 1mjg s VAL 525 Cb -0.14 -2.96 -0.02 0.00 0.56 0.00 0.00 36.38 33.83 1mjg s VAL 525 CO -0.30 -0.53 1.31 -0.83 -0.31 0.00 0.00 175.10 174.45 1mjg s GLY 526 N -3.52 2.87 0.55 2.32 0.00 0.62 -4.62 107.32 105.55 1mjg s GLY 526 Ca 0.61 1.24 0.37 0.00 0.00 0.00 0.00 44.72 46.94 1mjg s GLY 526 CO 0.56 1.69 2.13 0.17 0.00 0.00 0.00 173.10 177.65 1mjg h LEU 527 N 0.72 0.00 -0.31 0.66 8.10 -1.87 0.23 115.31 122.83 1mjg h LEU 527 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.48 1mjg h LEU 527 Cb 1.33 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.55 1mjg h LEU 527 CO 0.54 0.00 0.00 0.00 -4.11 0.00 0.00 178.44 174.87 1mjg n GLY 529 N 0.87 0.90 0.59 0.00 0.00 0.07 -4.66 105.19 102.96 1mjg n GLY 529 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.13 1mjg n GLY 529 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mjg n ALA 530 N 1.00 2.45 -3.75 4.61 0.00 -1.26 -4.91 120.51 118.65 1mjg n ALA 530 Ca 0.00 -0.68 -0.28 0.00 0.00 0.00 0.00 53.44 52.48 1mjg n ALA 530 Cb 0.00 -0.48 -0.16 0.00 0.00 0.00 0.00 19.45 18.80 1mjg n ALA 530 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1mjg s VAL 531 N -1.15 0.61 0.49 0.00 1.01 -1.26 -5.04 120.40 115.06 1mjg s VAL 531 Ca 0.18 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.58 1mjg s VAL 531 Cb 0.12 -1.13 0.03 0.00 0.00 0.00 0.00 36.38 35.41 1mjg s VAL 531 CO 0.18 -0.24 0.58 -0.94 0.00 0.00 0.00 175.10 174.68 1mjg s SER 532 N 1.81 5.16 0.21 3.32 1.04 -1.26 -0.27 113.70 123.71 1mjg s SER 532 Ca -0.01 -0.78 -0.10 0.00 0.48 0.00 0.00 55.95 55.55 1mjg s SER 532 Cb -0.17 -0.13 0.29 0.00 0.10 0.00 0.00 66.02 66.10 1mjg s SER 532 CO -0.09 -1.00 1.73 -0.25 0.98 0.00 0.00 173.24 174.61 1mjg h TRP 533 N 0.58 0.32 -0.48 5.02 7.01 -1.88 0.09 115.95 126.61 1mjg h TRP 533 Ca -0.36 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 60.58 1mjg h TRP 533 Cb 1.28 -0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 28.27 1mjg h TRP 533 CO 0.53 0.05 -0.07 -0.07 -2.79 0.00 0.00 178.44 176.09 1mjg h LEU 534 N 0.35 0.84 -0.29 0.65 3.38 -1.95 -0.18 115.31 118.11 1mjg h LEU 534 Ca 0.31 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1mjg h LEU 534 Cb 0.42 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1mjg h LEU 534 CO -0.34 0.94 0.13 0.44 0.09 0.00 0.00 178.44 179.70 1mjg h ASP 535 N 0.78 0.38 -0.46 -0.43 3.32 -1.68 -0.32 116.42 118.02 1mjg h ASP 535 Ca 0.14 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1mjg h ASP 535 Cb 0.57 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 1mjg h ASP 535 CO 0.03 0.42 0.27 0.00 -1.72 0.00 0.00 179.24 178.24 1mjg h ALA 536 N 0.98 0.58 -0.29 3.45 0.00 -0.81 0.02 119.26 123.19 1mjg h ALA 536 Ca 0.10 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1mjg h ALA 536 Cb 0.14 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1mjg h ALA 536 CO -0.01 0.08 0.11 -0.22 0.00 0.00 0.00 179.25 179.21 1mjg h LYS 537 N 0.60 0.24 -0.19 0.00 3.64 -0.77 -0.15 116.57 119.94 1mjg h LYS 537 Ca 0.16 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1mjg h LYS 537 Cb 0.01 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1mjg h LYS 537 CO -0.03 0.16 0.06 0.00 -2.27 0.00 0.00 179.45 177.36 1mjg h ALA 538 N 1.18 0.21 -0.95 5.00 0.00 -0.74 -1.61 119.26 122.35 1mjg h ALA 538 Ca 0.13 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.20 1mjg h ALA 538 Cb 0.09 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.81 1mjg h ALA 538 CO -0.13 -0.37 0.56 1.03 0.00 0.00 0.00 179.25 180.35 1mjg h SER 539 N 0.14 0.78 -0.36 0.00 0.87 -0.41 -0.50 113.55 114.07 1mjg h SER 539 Ca 0.08 0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.67 1mjg h SER 539 Cb 0.06 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 1mjg h SER 539 CO -0.09 0.37 0.07 0.22 -0.53 0.00 0.00 176.83 176.86 1mjg h TYR 540 N 0.83 0.62 -0.34 2.24 3.20 -0.27 -1.71 116.97 121.54 1mjg h TYR 540 Ca 0.50 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 62.25 1mjg h TYR 540 Cb 0.61 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1mjg h TYR 540 CO -0.03 0.63 0.05 0.93 -1.64 0.00 0.00 178.16 178.10 1mjg h GLU 541 N 0.43 0.51 -0.45 1.82 4.39 -0.38 -2.16 114.58 118.74 1mjg h GLU 541 Ca 0.11 -0.09 -0.14 0.00 0.34 0.00 0.00 59.36 59.58 1mjg h GLU 541 Cb 0.34 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1mjg h GLU 541 CO 0.00 0.50 -0.26 0.82 -1.16 0.00 0.00 179.01 178.92 1mjg h ILE 542 N 0.50 1.27 -1.67 3.13 2.04 -0.88 -3.42 117.51 118.48 1mjg h ILE 542 Ca 0.11 -1.42 -0.16 0.00 1.00 0.00 0.00 64.86 64.39 1mjg h ILE 542 Cb 0.25 1.19 -0.28 0.00 -0.74 0.00 0.00 36.82 37.23 1mjg h ILE 542 CO 0.00 0.49 -0.51 0.21 0.00 0.00 0.00 178.15 178.33 1mjg s ASN 543 N -6.76 0.21 0.55 1.72 2.47 -0.67 -4.97 114.94 107.50 1mjg s ASN 543 Ca -0.11 -0.24 0.26 0.00 0.42 0.00 0.00 52.86 53.18 1mjg s ASN 543 Cb 0.12 1.18 1.47 0.00 -1.45 0.00 0.00 41.25 42.58 1mjg s ASN 543 CO 0.87 -0.34 2.04 0.45 -3.72 0.00 0.00 177.10 176.39 1mjg h HIS 544 N 8.15 0.00 -0.73 0.43 3.86 -1.66 0.18 115.15 125.37 1mjg h HIS 544 Ca -0.10 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 58.92 1mjg h HIS 544 Cb 1.13 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 29.49 1mjg h HIS 544 CO 0.25 0.00 0.24 0.00 0.86 0.00 0.00 177.93 179.28 1mjg n ALA 545 N -2.51 4.53 -1.21 2.45 0.00 -1.26 -4.89 120.51 117.62 1mjg n ALA 545 Ca 0.06 -2.29 0.00 0.00 0.00 0.00 0.00 53.44 51.20 1mjg n ALA 545 Cb 0.47 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1mjg n ALA 545 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mjg n GLY 546 N -0.03 -0.75 0.00 0.00 0.00 0.62 -4.95 105.19 100.08 1mjg n GLY 546 Ca 0.40 -1.72 0.10 0.00 0.00 0.00 0.00 46.02 44.80 1mjg n GLY 546 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mjg n PRO 547 N -0.87 0.34 -4.56 1.61 -0.04 -1.26 -4.66 135.00 125.57 1mjg n PRO 547 Ca 0.00 0.08 -0.28 0.00 -0.04 0.00 0.00 63.50 63.26 1mjg n PRO 547 Cb 0.00 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 31.79 1mjg n PRO 547 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1mjg s ASN 548 N -2.47 2.39 0.02 3.54 -0.87 -1.26 -0.82 114.94 115.47 1mjg s ASN 548 Ca 0.21 -0.42 0.03 0.00 -1.57 0.00 0.00 52.86 51.11 1mjg s ASN 548 Cb 0.13 -1.08 -0.02 0.00 -0.02 0.00 0.00 41.25 40.27 1mjg s ASN 548 CO 0.29 0.03 -0.09 -1.10 -2.57 0.00 0.00 177.10 173.66 1mjg s GLN 549 N 0.86 0.63 0.25 -0.60 -0.21 -1.23 -4.35 119.66 115.01 1mjg s GLN 549 Ca -0.09 -0.53 -0.30 0.00 0.02 0.00 0.00 55.36 54.46 1mjg s GLN 549 Cb -0.15 -0.55 -0.10 0.00 1.00 0.00 0.00 33.01 33.21 1mjg s GLN 549 CO 0.00 0.14 1.39 -1.25 -2.12 0.00 0.00 175.29 173.45 1mjg s PRO 550 N -0.84 4.31 -0.27 2.91 0.04 -1.26 -1.92 135.00 137.96 1mjg s PRO 550 Ca -0.02 2.23 0.02 0.00 0.04 0.00 0.00 61.00 63.28 1mjg s PRO 550 Cb -0.06 -3.13 0.07 0.00 0.04 0.00 0.00 34.50 31.42 1mjg s PRO 550 CO 0.00 -0.36 -0.06 0.42 0.04 0.00 0.00 177.00 177.05 1mjg s ILE 551 N -0.10 1.94 0.07 0.56 1.01 0.19 -4.95 121.20 119.93 1mjg s ILE 551 Ca 0.58 -1.62 -0.33 0.00 0.00 0.00 0.00 60.65 59.28 1mjg s ILE 551 Cb -0.40 -2.18 -0.12 0.00 0.01 0.00 0.00 42.46 39.77 1mjg s ILE 551 CO 0.43 -0.17 1.78 -2.65 0.00 0.00 0.00 174.94 174.34 1mjg n PRO 552 N 4.49 2.44 -2.34 2.79 -0.02 -1.26 -1.02 135.00 140.08 1mjg n PRO 552 Ca -0.10 0.89 -0.36 0.00 -2.02 0.00 0.00 63.50 61.91 1mjg n PRO 552 Cb 0.43 -2.74 -0.03 0.00 -0.02 0.00 0.00 33.50 31.14 1mjg n PRO 552 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1mjg s LYS 553 N 2.69 3.23 0.19 -0.52 2.20 -0.67 -4.64 119.74 122.22 1mjg s LYS 553 Ca 0.84 -1.34 0.01 0.00 -0.36 0.00 0.00 55.97 55.13 1mjg s LYS 553 Cb -0.60 -5.35 -0.05 0.00 -1.51 0.00 0.00 37.83 30.33 1mjg s LYS 553 CO 0.42 -2.97 0.04 -1.21 -0.36 0.00 0.00 175.35 171.27 1mjg s GLU 554 N 5.47 1.18 -1.04 4.03 2.02 -1.26 -4.87 118.70 124.23 1mjg s GLU 554 Ca 0.60 -1.59 -0.06 0.00 0.02 0.00 0.00 54.97 53.93 1mjg s GLU 554 Cb 0.00 -0.20 0.01 0.00 0.10 0.00 0.00 34.13 34.04 1mjg s GLU 554 CO 0.05 -0.20 0.91 0.41 0.02 0.00 0.00 175.26 176.46 1mjg n GLY 555 N -0.29 -0.21 3.67 -1.39 0.00 -1.26 -2.74 105.19 102.96 1mjg n GLY 555 Ca -0.04 0.04 -0.50 0.00 0.00 0.00 0.00 46.02 45.52 1mjg n GLY 555 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1mjg n GLU 556 N -3.95 1.88 -0.10 1.61 2.13 -1.26 -1.23 120.64 119.71 1mjg n GLU 556 Ca -0.02 0.68 -0.13 0.00 0.66 0.00 0.00 57.16 58.35 1mjg n GLU 556 Cb 0.56 -2.46 -0.11 0.00 0.27 0.00 0.00 31.44 29.70 1mjg n GLU 556 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1mjg n ILE 557 N 4.32 1.23 -3.25 6.31 5.41 0.92 -4.91 119.36 129.38 1mjg n ILE 557 Ca 0.21 -0.54 -0.03 0.00 1.00 0.00 0.00 62.75 63.40 1mjg n ILE 557 Cb 0.25 -1.09 -0.04 0.00 -0.71 0.00 0.00 39.64 38.05 1mjg n ILE 557 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1mjg s ASP 558 N -5.85 -0.56 0.30 4.38 -1.08 -1.00 -4.96 116.67 107.90 1mjg s ASP 558 Ca -0.24 0.41 0.25 0.00 -0.52 0.00 0.00 52.55 52.46 1mjg s ASP 558 Cb 0.07 1.61 1.01 0.00 -1.46 0.00 0.00 42.92 44.15 1mjg s ASP 558 CO 0.55 -0.29 1.76 1.55 0.52 0.00 0.00 175.17 179.26 1mjg h PRO 559 N 8.09 0.00 0.00 4.34 0.13 -1.93 0.80 132.00 143.44 1mjg h PRO 559 Ca -0.18 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.82 1mjg h PRO 559 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1mjg h PRO 559 CO 0.26 0.00 -0.73 0.82 -0.23 0.00 0.00 178.00 178.12 1mjg h ILE 560 N 0.00 1.11 0.00 -3.56 1.08 -1.97 -3.36 117.51 110.81 1mjg h ILE 560 Ca 0.00 -2.10 0.00 0.00 -0.39 0.00 0.00 64.86 62.37 1mjg h ILE 560 Cb 0.44 2.36 0.00 0.00 -3.07 0.00 0.00 36.82 36.55 1mjg h ILE 560 CO 0.00 0.38 0.00 0.11 -0.69 0.00 0.00 178.15 177.95 1mjg h LYS 561 N -1.00 0.00 -3.40 2.37 1.57 -1.90 -3.37 116.57 110.83 1mjg h LYS 561 Ca -0.19 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 1mjg h LYS 561 Cb 1.09 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.42 1mjg h LYS 561 CO -0.12 0.00 -0.08 0.41 -0.57 0.00 0.00 179.45 179.09 1mjg n GLY 562 N 1.15 0.11 3.11 3.86 0.00 0.10 -1.56 105.19 111.96 1mjg n GLY 562 Ca 0.05 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 1mjg n GLY 562 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mjg s ILE 563 N -3.04 1.70 -0.03 -0.61 1.01 -0.21 -1.30 121.20 118.72 1mjg s ILE 563 Ca 0.04 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 59.94 1mjg s ILE 563 Cb -0.01 -1.52 0.01 0.00 0.01 0.00 0.00 42.46 40.95 1mjg s ILE 563 CO 0.12 0.48 -0.09 0.26 0.00 0.00 0.00 174.94 175.71 1mjg s TRP 564 N 0.80 1.01 0.24 3.97 0.51 -1.26 -0.06 118.94 124.15 1mjg s TRP 564 Ca -0.10 -0.27 -0.06 0.00 -2.12 0.00 0.00 56.10 53.55 1mjg s TRP 564 Cb -0.16 -0.74 0.23 0.00 -0.81 0.00 0.00 33.47 32.00 1mjg s TRP 564 CO 0.01 -0.13 1.85 -0.22 -0.51 0.00 0.00 176.95 177.94 1mjg h LYS 565 N 6.54 1.21 -0.48 4.98 3.64 -1.13 -0.84 116.57 130.48 1mjg h LYS 565 Ca -0.34 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 58.86 1mjg h LYS 565 Cb 1.17 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 1mjg h LYS 565 CO 0.48 0.91 0.21 0.66 -2.27 0.00 0.00 179.45 179.44 1mjg h SER 566 N 1.21 0.62 -0.21 4.20 4.64 -1.77 0.22 113.55 122.45 1mjg h SER 566 Ca 0.30 -0.06 -0.16 0.00 -0.47 0.00 0.00 61.79 61.39 1mjg h SER 566 Cb 0.07 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1mjg h SER 566 CO -0.04 0.54 -0.51 0.58 -0.87 0.00 0.00 176.83 176.53 1mjg h VAL 567 N 0.68 1.31 -0.45 0.95 2.07 -1.63 -2.14 116.25 117.05 1mjg h VAL 567 Ca 0.17 -1.73 -0.08 0.00 0.82 0.00 0.00 66.70 65.89 1mjg h VAL 567 Cb 0.11 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1mjg h VAL 567 CO -0.02 0.55 -0.02 0.78 0.02 0.00 0.00 177.57 178.87 1mjg h ASN 568 N 0.44 0.80 -0.75 0.57 2.35 -0.68 -0.23 115.58 118.08 1mjg h ASN 568 Ca -0.00 -0.32 0.01 0.00 -0.55 0.00 0.00 56.30 55.44 1mjg h ASN 568 Cb 1.12 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 39.24 1mjg h ASN 568 CO 0.11 0.92 0.50 0.44 -1.65 0.00 0.00 177.43 177.75 1mjg h ASP 569 N 0.65 0.86 0.00 5.81 3.32 -0.58 0.34 116.42 126.83 1mjg h ASP 569 Ca 0.12 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1mjg h ASP 569 Cb 0.53 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1mjg h ASP 569 CO 0.03 0.62 -0.00 0.22 -1.72 0.00 0.00 179.24 178.39 1mjg h TYR 570 N 1.02 -0.00 -0.65 4.55 3.20 -1.20 -3.10 116.97 120.78 1mjg h TYR 570 Ca 0.28 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.26 1mjg h TYR 570 Cb -0.12 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.07 1mjg h TYR 570 CO -0.02 0.24 0.23 1.25 -1.64 0.00 0.00 178.16 178.22 1mjg h LEU 571 N -0.25 0.20 0.01 2.82 6.46 -0.67 -0.49 115.31 123.40 1mjg h LEU 571 Ca -0.00 0.09 0.03 0.00 -0.12 0.00 0.00 57.88 57.88 1mjg h LEU 571 Cb 0.25 0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 40.22 1mjg h LEU 571 CO 0.00 0.11 -0.28 0.22 -0.62 0.00 0.00 178.44 177.87 1mjg h TYR 572 N 0.40 -0.76 -0.14 1.25 3.20 -0.87 0.33 116.97 120.37 1mjg h TYR 572 Ca 0.34 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.18 1mjg h TYR 572 Cb 0.47 0.33 -0.00 0.00 1.54 0.00 0.00 36.73 39.07 1mjg h TYR 572 CO -0.18 -0.38 -0.13 1.15 -1.64 0.00 0.00 178.16 176.98 1mjg h THR 573 N -0.43 1.34 -0.49 1.81 2.02 -1.43 0.52 112.91 116.25 1mjg h THR 573 Ca 0.06 -1.28 0.00 0.00 0.77 0.00 0.00 66.41 65.97 1mjg h THR 573 Cb 0.51 1.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.77 1mjg h THR 573 CO -0.23 0.37 0.32 0.00 0.37 0.00 0.00 175.52 176.35 1mjg h ALA 574 N 0.61 1.65 -0.25 6.16 0.00 -1.01 -1.28 119.26 125.14 1mjg h ALA 574 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1mjg h ALA 574 Cb 0.65 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1mjg h ALA 574 CO 0.03 0.32 0.00 -1.13 0.00 0.00 0.00 179.25 178.48 1mjg n SER 575 N -4.46 1.41 -3.17 0.00 3.41 0.10 -4.85 113.62 106.04 1mjg n SER 575 Ca 0.04 -2.01 -0.20 0.00 -0.26 0.00 0.00 58.87 56.45 1mjg n SER 575 Cb 0.05 -0.18 0.07 0.00 -0.26 0.00 0.00 64.21 63.89 1mjg n SER 575 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1mjg n ASN 576 N 0.25 -5.08 -1.36 4.04 3.02 -0.48 -2.44 115.26 113.21 1mjg n ASN 576 Ca 0.09 -0.48 -0.16 0.00 -0.03 0.00 0.00 54.58 53.99 1mjg n ASN 576 Cb 0.23 -4.45 -0.06 0.00 -0.61 0.00 0.00 39.78 34.89 1mjg n ASN 576 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1mjg n ARG 577 N -4.28 -1.16 0.05 3.52 1.74 0.18 -4.88 116.66 111.84 1mjg n ARG 577 Ca -0.04 1.02 0.11 0.00 -0.77 0.00 0.00 57.85 58.17 1mjg n ARG 577 Cb 0.57 -5.25 0.02 0.00 -1.02 0.00 0.00 32.46 26.78 1mjg n ARG 577 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1mjg n ASN 578 N -0.71 0.64 -4.01 0.55 3.02 -1.02 -4.89 115.26 108.83 1mjg n ASN 578 Ca -0.17 0.03 -0.19 0.00 -0.03 0.00 0.00 54.58 54.23 1mjg n ASN 578 Cb 0.56 0.71 -0.15 0.00 -0.61 0.00 0.00 39.78 40.29 1mjg n ASN 578 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1mjg s LEU 579 N -4.48 1.95 -0.10 3.41 1.43 -1.26 -5.04 118.68 114.59 1mjg s LEU 579 Ca 0.02 -0.16 0.13 0.00 -1.03 0.00 0.00 54.13 53.08 1mjg s LEU 579 Cb 0.13 -0.47 -0.19 0.00 0.03 0.00 0.00 46.19 45.69 1mjg s LEU 579 CO 0.80 0.09 0.14 -0.62 0.23 0.00 0.00 176.35 176.99 1mjg n GLU 580 N 2.99 1.34 -3.65 1.70 1.02 -1.26 -3.21 120.64 119.56 1mjg n GLU 580 Ca -0.15 -0.05 -0.11 0.00 -0.02 0.00 0.00 57.16 56.83 1mjg n GLU 580 Cb 0.56 -1.35 -0.05 0.00 -0.02 0.00 0.00 31.44 30.58 1mjg n GLU 580 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1mjg s GLN 581 N -2.56 1.01 -0.13 3.49 0.74 -1.26 -4.69 119.66 116.26 1mjg s GLN 581 Ca -0.06 -0.62 -0.09 0.00 0.05 0.00 0.00 55.36 54.64 1mjg s GLN 581 Cb 0.06 0.45 0.05 0.00 1.10 0.00 0.00 33.01 34.66 1mjg s GLN 581 CO 0.57 -0.38 0.32 0.54 -0.55 0.00 0.00 175.29 175.80 1mjg s VAL 582 N -3.41 -0.02 -0.37 1.34 0.11 -1.26 -4.87 120.40 111.92 1mjg s VAL 582 Ca 0.01 0.08 -0.11 0.00 -2.93 0.00 0.00 61.98 59.02 1mjg s VAL 582 Cb 0.01 -0.48 0.02 0.00 -1.53 0.00 0.00 36.38 34.40 1mjg s VAL 582 CO -0.09 0.03 0.21 0.00 -3.33 0.00 0.00 175.10 171.93 1mjg h LEU 584 N 8.46 0.00 -3.07 0.00 3.38 -1.03 -3.16 115.31 119.88 1mjg h LEU 584 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1mjg h LEU 584 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1mjg h LEU 584 CO 0.67 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.98 1mjg n TYR 585 N -2.92 0.27 -4.22 1.13 0.53 -0.60 -4.83 117.16 106.51 1mjg n TYR 585 Ca -0.00 -0.95 -0.14 0.00 -1.02 0.00 0.00 57.90 55.79 1mjg n TYR 585 Cb 0.22 -0.19 -0.10 0.00 -1.03 0.00 0.00 39.34 38.24 1mjg n TYR 585 CO 0.00 0.00 0.00 0.99 -1.02 0.00 0.00 176.86 176.83 1mjg s THR 586 N -2.80 1.10 -0.02 -0.72 2.01 -1.19 -2.26 115.64 111.76 1mjg s THR 586 Ca 0.34 -1.90 0.05 0.00 0.31 0.00 0.00 61.69 60.49 1mjg s THR 586 Cb 0.29 -1.67 -0.08 0.00 0.01 0.00 0.00 72.50 71.05 1mjg s THR 586 CO 0.05 -0.66 0.09 -0.11 -0.69 0.00 0.00 174.62 173.29 1mjg n LEU 587 N 0.10 0.00 0.11 4.42 7.94 -1.26 -4.54 117.00 123.77 1mjg n LEU 587 Ca -0.13 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 54.89 1mjg n LEU 587 Cb 0.59 0.03 0.04 0.00 0.53 0.00 0.00 43.42 44.62 1mjg n LEU 587 CO 0.30 0.03 0.16 0.24 -1.11 0.00 0.00 177.39 177.01 1mjg h MET 588 N 0.00 0.00 -3.87 1.96 2.86 -1.93 0.23 114.93 114.18 1mjg h MET 588 Ca -0.03 0.00 -0.41 0.00 -2.06 0.00 0.00 59.70 57.20 1mjg h MET 588 Cb 0.49 0.00 -0.35 0.00 0.06 0.00 0.00 31.60 31.80 1mjg h MET 588 CO 0.00 0.00 -0.77 -2.00 1.06 0.00 0.00 176.91 175.21 1mjg s GLU 589 N -3.32 0.67 -1.55 1.72 2.12 -1.26 -4.67 118.70 112.40 1mjg s GLU 589 Ca 0.01 -0.01 -0.04 0.00 0.36 0.00 0.00 54.97 55.30 1mjg s GLU 589 Cb 0.10 -0.81 0.04 0.00 0.26 0.00 0.00 34.13 33.71 1mjg s GLU 589 CO 0.77 -0.16 0.09 0.09 -0.54 0.00 0.00 175.26 175.51 1mjg n ASN 590 N 4.39 0.52 -4.71 -1.70 3.02 -1.26 -4.13 115.26 111.40 1mjg n ASN 590 Ca -0.20 -1.24 -0.31 0.00 -0.03 0.00 0.00 54.58 52.80 1mjg n ASN 590 Cb 0.50 -1.54 0.13 0.00 -0.61 0.00 0.00 39.78 38.26 1mjg n ASN 590 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1mjg s PRO 591 N -7.23 1.55 0.49 3.52 0.04 -1.26 -0.86 135.00 131.25 1mjg s PRO 591 Ca 0.12 1.45 -0.23 0.00 0.04 0.00 0.00 61.00 62.38 1mjg s PRO 591 Cb -0.07 -1.80 -0.07 0.00 0.04 0.00 0.00 34.50 32.61 1mjg s PRO 591 CO 0.97 -2.22 1.30 1.41 0.04 0.00 0.00 177.00 178.51 1mjg s MET 592 N -4.64 3.51 0.79 4.56 1.75 -1.26 -4.77 119.30 119.24 1mjg s MET 592 Ca 0.66 2.12 -0.09 0.00 -1.25 0.00 0.00 55.69 57.13 1mjg s MET 592 Cb -0.22 -2.43 0.12 0.00 2.84 0.00 0.00 34.83 35.14 1mjg s MET 592 CO 0.56 -0.85 1.12 0.95 -0.65 0.00 0.00 175.02 176.14 1mjg s THR 593 N -1.35 2.14 0.09 10.11 -4.23 -1.26 -4.71 115.64 116.43 1mjg s THR 593 Ca 0.66 -0.22 0.05 0.00 -1.18 0.00 0.00 61.69 60.99 1mjg s THR 593 Cb -0.37 -2.92 -0.03 0.00 1.34 0.00 0.00 72.50 70.52 1mjg s THR 593 CO 0.45 0.00 -0.12 -0.44 -0.54 0.00 0.00 174.62 173.97 1mjg s SER 594 N -4.67 1.61 -0.03 3.99 0.01 -1.26 -4.86 113.70 108.49 1mjg s SER 594 Ca 0.66 -0.73 -0.02 0.00 1.31 0.00 0.00 55.95 57.16 1mjg s SER 594 Cb -0.08 -0.03 -0.01 0.00 0.21 0.00 0.00 66.02 66.12 1mjg s SER 594 CO 0.47 -0.17 -0.04 0.00 0.41 0.00 0.00 173.24 173.91 1mjg n GLY 596 N 1.59 0.00 0.97 0.00 0.00 -1.26 -3.03 105.19 103.46 1mjg n GLY 596 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.11 1mjg n GLY 596 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mjg n PHE 598 N 1.10 1.46 0.06 0.00 1.16 -1.26 -4.46 117.46 115.53 1mjg n PHE 598 Ca 0.18 0.66 -0.13 0.00 -1.87 0.00 0.00 57.45 56.29 1mjg n PHE 598 Cb 0.50 -2.29 -0.04 0.00 -1.61 0.00 0.00 39.48 36.04 1mjg n PHE 598 CO 0.00 0.00 0.00 0.93 -1.87 0.00 0.00 176.76 175.82 1mjg h GLU 599 N 2.57 0.44 -4.55 3.97 5.08 -1.10 -3.44 114.58 117.56 1mjg h GLU 599 Ca -0.41 -0.45 -0.23 0.00 -1.00 0.00 0.00 59.36 57.27 1mjg h GLU 599 Cb 1.33 0.12 -0.15 0.00 0.50 0.00 0.00 28.75 30.55 1mjg h GLU 599 CO 0.64 1.10 -0.62 0.00 -1.00 0.00 0.00 179.01 179.13 1mjg s ALA 600 N -3.36 1.09 -0.02 3.43 0.00 -0.23 -1.86 121.76 120.82 1mjg s ALA 600 Ca -0.06 -1.65 0.01 0.00 0.00 0.00 0.00 51.96 50.26 1mjg s ALA 600 Cb 0.09 1.28 0.01 0.00 0.00 0.00 0.00 23.12 24.50 1mjg s ALA 600 CO 0.87 -0.57 -0.02 0.42 0.00 0.00 0.00 175.76 176.45 1mjg s ILE 601 N -4.14 0.29 -0.11 0.00 1.01 -0.30 -1.15 121.20 116.80 1mjg s ILE 601 Ca 0.36 -0.05 -0.08 0.00 0.00 0.00 0.00 60.65 60.88 1mjg s ILE 601 Cb 0.07 -0.31 -0.04 0.00 0.01 0.00 0.00 42.46 42.19 1mjg s ILE 601 CO 0.10 0.13 0.16 -0.04 0.00 0.00 0.00 174.94 175.29 1mjg s MET 602 N 0.53 3.48 -0.05 2.79 -1.94 0.16 -2.14 119.30 122.12 1mjg s MET 602 Ca -0.06 -0.09 -0.02 0.00 -1.71 0.00 0.00 55.69 53.81 1mjg s MET 602 Cb -0.09 -3.19 0.04 0.00 2.01 0.00 0.00 34.83 33.60 1mjg s MET 602 CO -0.01 0.77 0.11 0.00 -0.01 0.00 0.00 175.02 175.88 1mjg s ALA 603 N -1.04 -0.16 0.46 3.03 0.00 -0.70 -1.90 121.76 121.45 1mjg s ALA 603 Ca 0.16 0.57 -0.21 0.00 0.00 0.00 0.00 51.96 52.48 1mjg s ALA 603 Cb -0.12 -0.40 -0.08 0.00 0.00 0.00 0.00 23.12 22.51 1mjg s ALA 603 CO 0.05 -0.15 1.05 0.96 0.00 0.00 0.00 175.76 177.67 1mjg s ILE 604 N 1.15 3.73 -0.54 0.00 -5.25 -0.18 -0.56 121.20 119.55 1mjg s ILE 604 Ca -0.09 1.15 0.04 0.00 -0.99 0.00 0.00 60.65 60.75 1mjg s ILE 604 Cb -0.12 -3.50 0.15 0.00 2.95 0.00 0.00 42.46 41.94 1mjg s ILE 604 CO -0.05 -0.17 0.36 -0.76 -1.79 0.00 0.00 174.94 172.53 1mjg s LEU 605 N -3.26 3.40 0.24 0.37 1.43 0.36 -4.85 118.68 116.37 1mjg s LEU 605 Ca 0.65 -3.23 -0.10 0.00 -1.03 0.00 0.00 54.13 50.42 1mjg s LEU 605 Cb -0.18 -1.20 0.37 0.00 0.03 0.00 0.00 46.19 45.20 1mjg s LEU 605 CO 0.23 -0.17 1.61 -0.65 0.23 0.00 0.00 176.35 177.59 1mjg h PRO 606 N 5.97 0.03 0.00 1.29 0.11 -1.96 0.20 132.00 137.64 1mjg h PRO 606 Ca 0.10 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 1mjg h PRO 606 Cb 0.85 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 1mjg h PRO 606 CO 0.57 0.02 -0.00 1.49 -0.21 0.00 0.00 178.00 179.87 1mjg h GLU 607 N 0.03 0.00 -0.05 1.05 4.81 -1.94 -0.65 114.58 117.82 1mjg h GLU 607 Ca 0.39 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 1mjg h GLU 607 Cb 0.63 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1mjg h GLU 607 CO -0.75 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 177.53 1mjg n ASN 609 N 0.99 -4.18 0.00 0.00 5.15 -0.25 -4.32 115.26 112.65 1mjg n ASN 609 Ca 0.11 0.17 0.00 0.00 -0.60 0.00 0.00 54.58 54.26 1mjg n ASN 609 Cb 0.44 -3.54 0.00 0.00 -0.53 0.00 0.00 39.78 36.15 1mjg n ASN 609 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1mjg n GLY 610 N -0.82 4.38 3.14 8.20 0.00 -1.14 -4.61 105.19 114.34 1mjg n GLY 610 Ca -0.16 -0.90 -0.11 0.00 0.00 0.00 0.00 46.02 44.86 1mjg n GLY 610 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1mjg s ILE 611 N -0.48 0.62 0.27 -0.61 -4.36 0.02 -0.49 121.20 116.18 1mjg s ILE 611 Ca 0.00 -1.77 0.11 0.00 -0.26 0.00 0.00 60.65 58.72 1mjg s ILE 611 Cb 0.00 -1.48 -0.05 0.00 1.25 0.00 0.00 42.46 42.18 1mjg s ILE 611 CO 0.00 -0.80 -0.09 0.00 0.24 0.00 0.00 174.94 174.28 1mjg s MET 612 N -3.45 2.01 -0.01 0.37 0.23 0.28 -0.92 119.30 117.81 1mjg s MET 612 Ca 0.08 -1.58 0.01 0.00 -1.03 0.00 0.00 55.69 53.16 1mjg s MET 612 Cb 0.03 -1.98 0.00 0.00 -1.53 0.00 0.00 34.83 31.35 1mjg s MET 612 CO -0.04 0.35 -0.03 0.42 -2.03 0.00 0.00 175.02 173.69 1mjg s ILE 613 N -2.41 0.25 0.08 3.16 1.01 -0.22 -1.72 121.20 121.35 1mjg s ILE 613 Ca 0.31 -0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.87 1mjg s ILE 613 Cb -0.06 -0.23 -0.04 0.00 0.01 0.00 0.00 42.46 42.14 1mjg s ILE 613 CO 0.18 0.09 -0.06 0.28 0.00 0.00 0.00 174.94 175.42 1mjg s THR 614 N 0.13 0.62 0.35 2.92 -1.32 -0.91 -3.91 115.64 113.51 1mjg s THR 614 Ca -0.01 -1.79 0.09 0.00 -1.21 0.00 0.00 61.69 58.78 1mjg s THR 614 Cb -0.04 -1.49 -0.06 0.00 -1.51 0.00 0.00 72.50 69.40 1mjg s THR 614 CO -0.00 -0.81 -0.05 0.42 -2.21 0.00 0.00 174.62 171.96 1mjg s THR 615 N -3.30 2.35 0.52 5.08 -4.23 -1.26 -1.15 115.64 113.65 1mjg s THR 615 Ca 0.08 -2.12 0.17 0.00 -1.18 0.00 0.00 61.69 58.64 1mjg s THR 615 Cb 0.03 -2.71 0.27 0.00 1.34 0.00 0.00 72.50 71.43 1mjg s THR 615 CO -0.04 -0.19 2.14 -0.09 -0.54 0.00 0.00 174.62 175.90 1mjg h ARG 616 N 1.94 0.00 0.00 3.99 2.43 -1.66 -1.60 114.38 119.47 1mjg h ARG 616 Ca -0.42 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1mjg h ARG 616 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1mjg h ARG 616 CO 0.70 0.01 -0.23 -0.25 -1.51 0.00 0.00 179.97 178.69 1mjg n ASP 617 N -4.48 0.52 -4.49 -3.80 8.00 -1.26 -4.70 116.55 106.34 1mjg n ASP 617 Ca -0.03 0.32 -0.43 0.00 0.71 0.00 0.00 54.79 55.36 1mjg n ASP 617 Cb 0.10 -0.33 -0.06 0.00 -0.02 0.00 0.00 41.12 40.81 1mjg n ASP 617 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1mjg s HIS 618 N -3.07 3.04 -0.37 1.24 2.46 -0.60 -4.91 115.29 113.08 1mjg s HIS 618 Ca 0.10 -0.23 0.22 0.00 0.47 0.00 0.00 55.06 55.62 1mjg s HIS 618 Cb 0.15 -3.45 0.24 0.00 -0.13 0.00 0.00 32.58 29.39 1mjg s HIS 618 CO 0.63 -0.96 1.47 0.00 -2.47 0.00 0.00 174.74 173.40 1mjg h ALA 619 N 8.95 0.86 -2.37 1.58 0.00 -1.84 -3.38 119.26 123.06 1mjg h ALA 619 Ca -0.26 -0.06 -0.52 0.00 0.00 0.00 0.00 54.91 54.06 1mjg h ALA 619 Cb 1.09 -0.00 0.17 0.00 0.00 0.00 0.00 17.79 19.05 1mjg h ALA 619 CO 0.93 0.08 0.28 0.20 0.00 0.00 0.00 179.25 180.74 1mjg s GLY 620 N -4.28 1.82 0.50 0.00 0.00 -1.26 -4.70 107.32 99.41 1mjg s GLY 620 Ca 0.05 0.57 -0.22 0.00 0.00 0.00 0.00 44.72 45.12 1mjg s GLY 620 CO 0.70 0.97 1.23 -0.29 0.00 0.00 0.00 173.10 175.71 1mjg s MET 621 N -4.56 3.49 0.28 2.90 1.75 -1.26 -4.40 119.30 117.50 1mjg s MET 621 Ca 0.67 1.92 0.11 0.00 -1.25 0.00 0.00 55.69 57.14 1mjg s MET 621 Cb -0.23 -2.31 -0.05 0.00 2.84 0.00 0.00 34.83 35.08 1mjg s MET 621 CO 0.55 -0.81 -0.14 0.95 -0.65 0.00 0.00 175.02 174.92 1mjg s THR 622 N -1.48 2.71 -0.97 10.11 -4.23 -1.12 -4.78 115.64 115.89 1mjg s THR 622 Ca 0.67 -2.26 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 1mjg s THR 622 Cb -0.32 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.04 1mjg s THR 622 CO 0.39 -0.37 0.97 -0.81 -0.54 0.00 0.00 174.62 174.26 1mjg n PRO 623 N -0.71 0.00 0.00 3.99 -0.04 -0.48 -0.63 135.00 137.13 1mjg n PRO 623 Ca -0.05 0.47 0.14 0.00 -0.04 0.00 0.00 63.50 64.02 1mjg n PRO 623 Cb 0.60 -1.52 0.69 0.00 -0.04 0.00 0.00 33.50 33.23 1mjg n PRO 623 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1mjg n SER 624 N -1.47 0.02 0.00 3.54 3.41 -1.26 -4.26 113.62 113.60 1mjg n SER 624 Ca 0.00 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1mjg n SER 624 Cb 0.02 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 1mjg n SER 624 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mjg n GLY 625 N 1.37 0.73 3.20 5.00 0.00 0.20 -5.05 105.19 110.63 1mjg n GLY 625 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 1mjg n GLY 625 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1mjg s MET 626 N -0.55 0.89 0.86 1.61 -1.94 -1.25 -4.89 119.30 114.04 1mjg s MET 626 Ca 0.00 -1.03 -0.10 0.00 -1.71 0.00 0.00 55.69 52.84 1mjg s MET 626 Cb 0.00 -0.89 0.16 0.00 2.01 0.00 0.00 34.83 36.12 1mjg s MET 626 CO 0.00 0.19 1.19 0.95 -0.01 0.00 0.00 175.02 177.35 1mjg s THR 627 N -1.46 2.06 0.15 2.05 -4.23 -1.26 -2.78 115.64 110.17 1mjg s THR 627 Ca 0.01 -0.21 -0.17 0.00 -1.18 0.00 0.00 61.69 60.15 1mjg s THR 627 Cb -0.09 -2.85 0.02 0.00 1.34 0.00 0.00 72.50 70.92 1mjg s THR 627 CO 0.03 0.00 1.74 0.15 -0.54 0.00 0.00 174.62 175.99 1mjg h PHE 628 N -1.20 0.14 -0.41 3.99 3.57 -1.77 -1.50 116.94 119.75 1mjg h PHE 628 Ca -0.42 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.15 1mjg h PHE 628 Cb 1.25 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.93 1mjg h PHE 628 CO -0.70 0.04 0.13 0.77 -2.23 0.00 0.00 178.31 176.32 1mjg h SER 629 N 0.21 0.12 -0.52 0.41 0.02 -1.93 0.27 113.55 112.13 1mjg h SER 629 Ca 0.15 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.11 1mjg h SER 629 Cb 0.16 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1mjg h SER 629 CO -0.19 0.10 0.15 0.74 -1.14 0.00 0.00 176.83 176.49 1mjg h THR 630 N 0.29 1.24 -0.57 -2.27 2.02 -1.81 -1.26 112.91 110.54 1mjg h THR 630 Ca 0.19 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.55 1mjg h THR 630 Cb 0.19 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1mjg h THR 630 CO -0.21 0.30 0.31 -0.07 0.37 0.00 0.00 175.52 176.21 1mjg h LEU 631 N 0.71 0.72 -0.86 2.58 3.38 -0.83 -2.61 115.31 118.41 1mjg h LEU 631 Ca 0.17 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1mjg h LEU 631 Cb 0.30 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 1mjg h LEU 631 CO -0.00 0.62 0.54 0.00 0.09 0.00 0.00 178.44 179.68 1mjg h ALA 632 N 1.14 1.16 0.00 1.53 0.00 -0.09 -0.90 119.26 122.09 1mjg h ALA 632 Ca 0.20 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1mjg h ALA 632 Cb 0.06 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1mjg h ALA 632 CO -0.03 0.32 -0.14 0.78 0.00 0.00 0.00 179.25 180.18 1mjg h GLY 633 N 1.01 0.00 1.50 0.00 0.00 -0.87 -2.08 103.07 102.63 1mjg h GLY 633 Ca 0.36 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.42 1mjg h GLY 633 CO -0.15 0.00 -1.35 1.98 0.00 0.00 0.00 176.54 177.02 1mjg h MET 634 N 0.00 0.16 0.00 4.80 -1.53 -0.92 -3.38 114.93 114.06 1mjg h MET 634 Ca -0.00 -0.28 0.00 0.00 -3.44 0.00 0.00 59.70 55.98 1mjg h MET 634 Cb 0.34 0.10 0.00 0.00 -0.55 0.00 0.00 31.60 31.49 1mjg h MET 634 CO 0.02 1.04 -1.44 0.44 0.14 0.00 0.00 176.91 177.11 1mjg n ILE 635 N -3.40 0.01 -1.95 1.77 -5.35 -0.76 -4.99 119.36 104.69 1mjg n ILE 635 Ca -0.10 -0.23 -0.30 0.00 -0.27 0.00 0.00 62.75 61.85 1mjg n ILE 635 Cb 1.01 0.54 0.20 0.00 -1.74 0.00 0.00 39.64 39.65 1mjg n ILE 635 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1mjg s GLY 636 N -3.68 1.81 0.00 3.28 0.00 -0.79 -4.10 107.32 103.83 1mjg s GLY 636 Ca 0.01 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.44 1mjg s GLY 636 CO 0.89 -0.48 0.00 0.61 0.00 0.00 0.00 173.10 174.11 1mjg n GLY 637 N -3.82 0.76 1.90 0.20 0.00 -1.16 -4.15 105.19 98.93 1mjg n GLY 637 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1mjg n GLY 637 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mjg n GLY 638 N -2.07 0.42 3.65 -0.02 0.00 -0.63 -4.64 105.19 101.91 1mjg n GLY 638 Ca 0.00 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.69 1mjg n GLY 638 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mjg s THR 639 N -2.00 4.93 0.10 2.61 -4.23 -1.26 -4.89 115.64 110.90 1mjg s THR 639 Ca 0.00 0.02 -0.31 0.00 -1.18 0.00 0.00 61.69 60.22 1mjg s THR 639 Cb 0.00 -3.24 -0.08 0.00 1.34 0.00 0.00 72.50 70.52 1mjg s THR 639 CO 0.00 0.44 1.39 -1.10 -0.54 0.00 0.00 174.62 174.81 1mjg s GLN 640 N 0.48 4.32 -0.44 3.99 -0.21 -1.26 -4.72 119.66 121.82 1mjg s GLN 640 Ca 0.04 2.06 0.02 0.00 0.02 0.00 0.00 55.36 57.51 1mjg s GLN 640 Cb -0.12 -3.29 0.15 0.00 1.00 0.00 0.00 33.01 30.75 1mjg s GLN 640 CO 0.00 -0.45 0.28 0.95 -2.12 0.00 0.00 175.29 173.96 1mjg s THR 641 N 1.24 1.00 -0.10 -0.19 -4.23 -1.26 -5.06 115.64 107.03 1mjg s THR 641 Ca 0.64 -2.54 -0.39 0.00 -1.18 0.00 0.00 61.69 58.23 1mjg s THR 641 Cb -0.36 -1.69 -0.16 0.00 1.34 0.00 0.00 72.50 71.62 1mjg s THR 641 CO 0.30 -1.01 1.53 -2.65 -0.54 0.00 0.00 174.62 172.25 1mjg n PRO 642 N 3.35 1.10 -0.01 3.99 -0.02 -1.26 -1.15 135.00 141.00 1mjg n PRO 642 Ca 0.15 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1mjg n PRO 642 Cb 0.38 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1mjg n PRO 642 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mjg n GLY 643 N 3.30 0.30 2.80 -1.23 0.00 0.81 -4.96 105.19 106.21 1mjg n GLY 643 Ca 0.22 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.10 1mjg n GLY 643 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mjg s PHE 644 N -2.10 0.04 -0.15 1.61 0.40 -0.30 -1.01 117.98 116.48 1mjg s PHE 644 Ca 0.00 0.09 -0.20 0.00 -0.60 0.00 0.00 56.93 56.22 1mjg s PHE 644 Cb 0.00 -0.19 0.05 0.00 0.51 0.00 0.00 43.02 43.39 1mjg s PHE 644 CO 0.00 -0.07 0.51 1.41 0.70 0.00 0.00 175.22 177.77 1mjg s MET 645 N 0.80 0.69 0.02 0.44 1.75 -0.80 -4.51 119.30 117.69 1mjg s MET 645 Ca -0.07 0.51 -0.17 0.00 -1.25 0.00 0.00 55.69 54.71 1mjg s MET 645 Cb -0.10 0.33 -0.06 0.00 2.84 0.00 0.00 34.83 37.84 1mjg s MET 645 CO -0.02 -0.13 0.49 0.20 -0.65 0.00 0.00 175.02 174.91 1mjg s GLY 646 N -0.20 2.56 0.24 2.11 0.00 -1.26 -0.66 107.32 110.10 1mjg s GLY 646 Ca -0.04 -0.10 -0.11 0.00 0.00 0.00 0.00 44.72 44.47 1mjg s GLY 646 CO 0.03 0.35 0.42 -0.26 0.00 0.00 0.00 173.10 173.64 1mjg s ILE 647 N -0.92 0.00 0.11 0.90 -4.36 -0.30 -4.81 121.20 111.82 1mjg s ILE 647 Ca 0.26 -1.51 -0.15 0.00 -0.26 0.00 0.00 60.65 59.00 1mjg s ILE 647 Cb -0.18 -2.27 -0.07 0.00 1.25 0.00 0.00 42.46 41.20 1mjg s ILE 647 CO 0.16 0.00 0.52 -0.83 0.24 0.00 0.00 174.94 175.03 1mjg s GLY 648 N -3.05 2.49 0.51 6.27 0.00 -1.21 -1.07 107.32 111.26 1mjg s GLY 648 Ca 0.25 -0.14 0.23 0.00 0.00 0.00 0.00 44.72 45.07 1mjg s GLY 648 CO 0.10 0.17 1.99 3.21 0.00 0.00 0.00 173.10 178.57 1mjg h ARG 649 N 3.89 0.08 -0.81 2.90 3.08 -1.91 -1.99 114.38 119.63 1mjg h ARG 649 Ca -0.49 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.59 1mjg h ARG 649 Cb 1.20 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.19 1mjg h ARG 649 CO 0.65 0.05 0.54 1.15 -1.07 0.00 0.00 179.97 181.29 1mjg h THR 650 N 0.08 1.13 -0.26 2.04 2.02 -1.96 -2.25 112.91 113.71 1mjg h THR 650 Ca 0.26 -0.34 0.08 0.00 0.77 0.00 0.00 66.41 67.18 1mjg h THR 650 Cb 0.94 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1mjg h THR 650 CO -0.02 0.18 0.21 0.22 0.37 0.00 0.00 175.52 176.48 1mjg h TYR 651 N 1.00 0.00 -0.61 3.16 3.20 -1.71 -2.13 116.97 119.89 1mjg h TYR 651 Ca 0.32 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.23 1mjg h TYR 651 Cb 0.04 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 1mjg h TYR 651 CO -0.00 0.00 0.40 0.82 -1.64 0.00 0.00 178.16 177.74 1mjg h ILE 652 N 0.00 1.06 -0.58 1.81 2.04 -1.55 -1.75 117.51 118.54 1mjg h ILE 652 Ca 0.12 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 1mjg h ILE 652 Cb 0.53 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1mjg h ILE 652 CO -0.00 0.12 0.04 1.33 0.00 0.00 0.00 178.15 179.64 1mjg n VAL 653 N -4.47 2.78 -3.37 1.67 0.24 -0.80 -4.85 118.33 109.54 1mjg n VAL 653 Ca 0.08 -1.48 -0.33 0.00 -2.04 0.00 0.00 64.34 60.57 1mjg n VAL 653 Cb 0.16 -0.29 -0.06 0.00 -1.47 0.00 0.00 33.84 32.18 1mjg n VAL 653 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1mjg s SER 654 N -0.90 6.69 0.49 -1.34 0.15 -0.66 -4.96 113.70 113.17 1mjg s SER 654 Ca 0.54 1.00 0.22 0.00 0.70 0.00 0.00 55.95 58.42 1mjg s SER 654 Cb 0.42 -2.26 1.26 0.00 -1.71 0.00 0.00 66.02 63.72 1mjg s SER 654 CO 0.15 -0.05 2.03 0.11 1.20 0.00 0.00 173.24 176.69 1mjg h LYS 655 N 2.76 0.00 -0.30 5.44 1.57 -1.87 -2.29 116.57 121.88 1mjg h LYS 655 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1mjg h LYS 655 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1mjg h LYS 655 CO 0.68 0.16 0.00 1.63 -0.57 0.00 0.00 179.45 181.34 1mjg n LYS 656 N -3.91 1.90 -1.51 3.15 4.76 -1.26 -4.71 118.16 116.58 1mjg n LYS 656 Ca -0.02 -1.38 -0.41 0.00 -2.87 0.00 0.00 58.31 53.62 1mjg n LYS 656 Cb 0.25 -1.37 -0.07 0.00 -1.84 0.00 0.00 35.03 32.00 1mjg n LYS 656 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1mjg n PHE 657 N 0.61 1.28 -3.49 2.13 -0.00 -0.86 -2.36 117.46 114.76 1mjg n PHE 657 Ca 0.15 0.21 -0.21 0.00 -0.00 0.00 0.00 57.45 57.61 1mjg n PHE 657 Cb 0.36 -2.55 -0.06 0.00 -0.00 0.00 0.00 39.48 37.24 1mjg n PHE 657 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.76 177.20 1mjg n ILE 658 N 7.66 -0.39 -0.25 -2.13 -5.35 -1.26 -3.77 119.36 113.87 1mjg n ILE 658 Ca 0.45 -0.19 0.17 0.00 -0.27 0.00 0.00 62.75 62.91 1mjg n ILE 658 Cb 0.33 -0.49 0.47 0.00 -1.74 0.00 0.00 39.64 38.21 1mjg n ILE 658 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1mjg h SER 659 N -0.61 0.48 0.73 7.28 4.64 -1.48 0.13 113.55 124.72 1mjg h SER 659 Ca -0.38 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1mjg h SER 659 Cb 0.83 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1mjg h SER 659 CO 0.46 0.20 0.00 0.00 -0.87 0.00 0.00 176.83 176.62 1mjg n ALA 660 N -2.49 1.70 0.68 5.18 0.00 -0.96 -2.84 120.51 121.78 1mjg n ALA 660 Ca 0.19 0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.76 1mjg n ALA 660 Cb 0.64 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1mjg n ALA 660 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1mjg n ASP 661 N -2.11 1.63 0.00 0.00 8.00 0.44 -4.97 116.55 119.54 1mjg n ASP 661 Ca 0.03 -1.32 0.00 0.00 0.71 0.00 0.00 54.79 54.21 1mjg n ASP 661 Cb 0.23 0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 1mjg n ASP 661 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mjg n GLY 662 N 1.10 1.22 7.00 0.44 0.00 -1.09 -4.93 105.19 108.92 1mjg n GLY 662 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1mjg n GLY 662 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mjg n GLY 663 N 0.00 -1.18 0.19 -0.02 0.00 -1.03 -3.75 105.19 99.40 1mjg n GLY 663 Ca 0.00 -1.23 0.12 0.00 0.00 0.00 0.00 46.02 44.91 1mjg n GLY 663 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1mjg h ILE 664 N 0.00 0.00 0.00 -0.61 3.07 -1.89 -1.84 117.51 116.24 1mjg h ILE 664 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1mjg h ILE 664 Cb 0.00 0.53 0.00 0.00 -0.27 0.00 0.00 36.82 37.08 1mjg h ILE 664 CO 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.10 1mjg h ALA 665 N 1.95 1.00 0.00 0.16 0.00 -1.97 -2.25 119.26 118.14 1mjg h ALA 665 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1mjg h ALA 665 Cb 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1mjg h ALA 665 CO 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 179.25 178.59 1mjg h ARG 666 N 0.00 0.00 -6.20 0.00 2.47 -1.54 -3.02 114.38 106.09 1mjg h ARG 666 Ca 0.00 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 58.16 1mjg h ARG 666 Cb 0.18 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.50 1mjg h ARG 666 CO 0.00 0.48 1.30 0.42 0.56 0.00 0.00 179.97 182.73 1mjg s ILE 667 N -2.95 3.21 -0.81 2.04 1.01 -0.85 -0.80 121.20 122.05 1mjg s ILE 667 Ca 0.03 0.24 0.08 0.00 0.00 0.00 0.00 60.65 60.99 1mjg s ILE 667 Cb 0.08 -3.22 0.03 0.00 0.01 0.00 0.00 42.46 39.35 1mjg s ILE 667 CO 0.76 -0.09 0.63 1.33 0.00 0.00 0.00 174.94 177.57 1mjg n VAL 668 N 6.64 0.00 -3.64 2.92 0.24 -0.10 -4.79 118.33 119.60 1mjg n VAL 668 Ca 0.23 -0.46 -0.09 0.00 -2.04 0.00 0.00 64.34 61.99 1mjg n VAL 668 Cb 0.44 1.12 -0.07 0.00 -1.47 0.00 0.00 33.84 33.86 1mjg n VAL 668 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1mjg s TRP 669 N -0.91 -1.00 0.02 6.34 -0.00 -1.25 -1.64 118.94 120.50 1mjg s TRP 669 Ca 0.07 2.08 -0.15 0.00 -0.00 0.00 0.00 56.10 58.11 1mjg s TRP 669 Cb 0.06 0.55 0.02 0.00 -0.00 0.00 0.00 33.47 34.11 1mjg s TRP 669 CO 0.15 -0.49 0.33 -1.64 -0.00 0.00 0.00 176.95 175.29 1mjg s MET 670 N 1.35 0.78 0.42 5.86 -1.94 -0.74 -1.05 119.30 123.98 1mjg s MET 670 Ca -0.08 -0.36 -0.24 0.00 -1.71 0.00 0.00 55.69 53.30 1mjg s MET 670 Cb -0.05 0.34 -0.08 0.00 2.01 0.00 0.00 34.83 37.05 1mjg s MET 670 CO -0.15 -0.24 1.18 -2.14 -0.01 0.00 0.00 175.02 173.65 1mjg s PRO 671 N -2.09 3.95 0.40 2.03 0.02 -1.25 -4.16 135.00 133.90 1mjg s PRO 671 Ca -0.08 1.84 0.13 0.00 0.02 0.00 0.00 61.00 62.91 1mjg s PRO 671 Cb -0.02 -2.59 0.96 0.00 0.02 0.00 0.00 34.50 32.86 1mjg s PRO 671 CO -0.00 -0.41 1.90 -0.22 -0.33 0.00 0.00 177.00 177.95 1mjg h LYS 672 N 2.45 0.51 -0.52 5.54 3.64 -1.95 -0.13 116.57 126.11 1mjg h LYS 672 Ca -0.49 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 58.82 1mjg h LYS 672 Cb 1.24 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 1mjg h LYS 672 CO 0.62 0.34 0.17 0.66 -2.27 0.00 0.00 179.45 178.96 1mjg h SER 673 N 0.52 0.70 0.15 4.20 4.64 -2.00 -2.22 113.55 119.54 1mjg h SER 673 Ca 0.39 -0.10 -0.15 0.00 -0.47 0.00 0.00 61.79 61.46 1mjg h SER 673 Cb 0.78 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 1mjg h SER 673 CO -0.15 0.66 -0.56 0.25 -0.87 0.00 0.00 176.83 176.16 1mjg h LEU 674 N 0.75 0.49 -0.02 5.97 5.85 -1.39 -2.25 115.31 124.69 1mjg h LEU 674 Ca 0.17 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1mjg h LEU 674 Cb 0.21 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1mjg h LEU 674 CO -0.01 0.95 0.01 0.11 -0.34 0.00 0.00 178.44 179.16 1mjg h LYS 675 N 0.33 0.03 -0.73 1.25 1.57 -0.96 -2.26 116.57 115.81 1mjg h LYS 675 Ca 0.00 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1mjg h LYS 675 Cb 1.09 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.35 1mjg h LYS 675 CO 0.10 0.10 0.44 -0.44 -0.57 0.00 0.00 179.45 179.08 1mjg h ASP 676 N -0.04 0.87 -0.42 0.86 3.32 -1.37 0.77 116.42 120.40 1mjg h ASP 676 Ca 0.01 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 1mjg h ASP 676 Cb 0.08 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1mjg h ASP 676 CO -0.00 0.66 0.13 0.15 -1.72 0.00 0.00 179.24 178.46 1mjg h PHE 677 N 1.00 0.74 -0.01 4.55 3.57 -1.07 -3.16 116.94 122.56 1mjg h PHE 677 Ca 0.26 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1mjg h PHE 677 Cb -0.05 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.47 1mjg h PHE 677 CO 0.00 0.62 -0.21 1.28 -2.23 0.00 0.00 178.31 177.77 1mjg n LEU 678 N -4.30 1.45 0.00 0.59 4.77 -0.88 -4.88 117.00 113.75 1mjg n LEU 678 Ca 0.03 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.21 1mjg n LEU 678 Cb 0.20 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1mjg n LEU 678 CO 0.39 0.28 0.11 1.57 -1.33 0.00 0.00 177.39 178.41 1mjg n HIS 679 N -0.07 0.00 -0.16 -1.77 -0.00 0.26 0.12 115.22 113.61 1mjg n HIS 679 Ca 0.05 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.20 1mjg n HIS 679 Cb 0.26 -0.07 0.04 0.00 -0.12 0.00 0.00 29.99 30.10 1mjg n HIS 679 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 1mjg h ASP 680 N 0.00 -0.45 0.84 0.26 3.32 -1.86 -0.06 116.42 118.47 1mjg h ASP 680 Ca 0.00 0.15 -0.11 0.00 0.02 0.00 0.00 57.03 57.09 1mjg h ASP 680 Cb 0.00 0.30 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1mjg h ASP 680 CO 0.00 -0.16 -0.51 -0.33 -1.72 0.00 0.00 179.24 176.52 1mjg h GLU 681 N 0.01 0.00 -0.19 3.56 5.08 -1.73 -2.86 114.58 118.45 1mjg h GLU 681 Ca 0.24 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.51 1mjg h GLU 681 Cb 0.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1mjg h GLU 681 CO -0.51 0.51 -0.25 0.35 -1.00 0.00 0.00 179.01 178.11 1mjg h PHE 682 N 0.00 0.62 -0.95 4.33 3.57 0.58 -2.16 116.94 122.93 1mjg h PHE 682 Ca -0.01 -0.20 0.04 0.00 3.53 0.00 0.00 57.97 61.33 1mjg h PHE 682 Cb 1.07 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.63 1mjg h PHE 682 CO 0.00 0.90 0.62 0.28 -2.23 0.00 0.00 178.31 177.87 1mjg h VAL 683 N 0.17 1.16 -0.18 1.41 2.07 -1.01 0.40 116.25 120.26 1mjg h VAL 683 Ca 0.02 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1mjg h VAL 683 Cb 0.82 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1mjg h VAL 683 CO 0.06 0.22 0.07 0.03 0.02 0.00 0.00 177.57 177.97 1mjg h ARG 684 N 1.19 0.27 -0.20 1.57 3.08 -1.41 -1.55 114.38 117.34 1mjg h ARG 684 Ca 0.38 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.34 1mjg h ARG 684 Cb 0.01 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1mjg h ARG 684 CO -0.12 0.34 -0.07 0.77 -1.07 0.00 0.00 179.97 179.81 1mjg h SER 685 N 0.14 0.28 -0.52 7.04 0.02 -0.96 -0.52 113.55 119.02 1mjg h SER 685 Ca 0.06 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1mjg h SER 685 Cb 0.17 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1mjg h SER 685 CO -0.01 0.40 0.29 0.28 -1.14 0.00 0.00 176.83 176.65 1mjg h SER 686 N 0.29 0.66 -0.21 3.07 0.02 -0.51 -1.12 113.55 115.75 1mjg h SER 686 Ca 0.06 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 1mjg h SER 686 Cb 0.32 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1mjg h SER 686 CO 0.02 0.56 0.02 0.58 -1.14 0.00 0.00 176.83 176.86 1mjg h VAL 687 N 0.70 1.24 -0.05 2.27 2.07 -0.67 0.16 116.25 121.98 1mjg h VAL 687 Ca 0.18 -0.81 0.01 0.00 0.82 0.00 0.00 66.70 66.90 1mjg h VAL 687 Cb 0.05 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1mjg h VAL 687 CO -0.03 0.25 0.07 -0.33 0.02 0.00 0.00 177.57 177.55 1mjg h GLU 688 N 0.13 0.00 -0.08 1.57 5.08 -0.84 0.57 114.58 121.01 1mjg h GLU 688 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1mjg h GLU 688 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1mjg h GLU 688 CO 0.01 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.41 1mjg n GLU 689 N -3.62 2.26 -2.92 2.33 -0.58 -0.45 -4.96 120.64 112.71 1mjg n GLU 689 Ca -0.02 -1.85 -0.15 0.00 -0.42 0.00 0.00 57.16 54.73 1mjg n GLU 689 Cb 0.16 -1.47 0.03 0.00 -0.57 0.00 0.00 31.44 29.59 1mjg n GLU 689 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1mjg n GLY 690 N 1.35 -0.06 0.00 0.62 0.00 0.19 -4.91 105.19 102.38 1mjg n GLY 690 Ca 0.15 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1mjg n GLY 690 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1mjg n LEU 691 N -2.95 0.61 0.00 0.99 4.77 0.52 -5.02 117.00 115.92 1mjg n LEU 691 Ca -0.04 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 1mjg n LEU 691 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1mjg n LEU 691 CO 0.35 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1mjg n GLY 692 N 1.43 1.21 0.27 -0.72 0.00 -1.21 -4.16 105.19 102.00 1mjg n GLY 692 Ca 0.02 -1.72 0.16 0.00 0.00 0.00 0.00 46.02 44.48 1mjg n GLY 692 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1mjg h GLU 693 N 0.00 0.00 -0.13 1.61 3.07 -1.88 -2.83 114.58 114.42 1mjg h GLU 693 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1mjg h GLU 693 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1mjg h GLU 693 CO 0.00 0.02 0.00 -0.40 -1.40 0.00 0.00 179.01 177.23 1mjg n ASP 694 N -3.12 1.91 -0.34 1.42 5.75 -1.26 -4.34 116.55 116.58 1mjg n ASP 694 Ca 0.01 -1.70 0.09 0.00 -0.01 0.00 0.00 54.79 53.18 1mjg n ASP 694 Cb 0.33 -0.08 0.26 0.00 -1.03 0.00 0.00 41.12 40.60 1mjg n ASP 694 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 1mjg h PHE 695 N 2.70 1.00 0.00 2.11 3.57 -1.66 0.88 116.94 125.54 1mjg h PHE 695 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1mjg h PHE 695 Cb 0.58 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1mjg h PHE 695 CO 0.08 0.29 0.08 0.97 -2.23 0.00 0.00 178.31 177.50 1mjg h ILE 696 N 0.79 0.00 0.00 1.41 2.10 -1.84 0.13 117.51 120.11 1mjg h ILE 696 Ca 0.52 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.46 1mjg h ILE 696 Cb 0.69 0.57 0.00 0.00 -1.09 0.00 0.00 36.82 37.00 1mjg h ILE 696 CO -0.34 0.00 -0.90 0.47 -1.08 0.00 0.00 178.15 176.31 1mjg n ASP 697 N -2.45 0.67 0.19 2.19 8.00 0.30 -3.61 116.55 121.84 1mjg n ASP 697 Ca -0.02 0.03 0.12 0.00 0.71 0.00 0.00 54.79 55.64 1mjg n ASP 697 Cb 0.12 0.51 0.17 0.00 -0.02 0.00 0.00 41.12 41.90 1mjg n ASP 697 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1mjg h LYS 698 N 0.00 0.00 -6.35 -1.24 1.57 -0.74 -3.44 116.57 106.37 1mjg h LYS 698 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 1mjg h LYS 698 Cb 0.80 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 1mjg h LYS 698 CO 0.00 0.00 0.61 0.42 -0.57 0.00 0.00 179.45 179.91 1mjg s ILE 699 N -3.22 4.38 0.79 1.86 1.01 -1.15 -4.72 121.20 120.15 1mjg s ILE 699 Ca 0.06 1.69 -0.11 0.00 0.00 0.00 0.00 60.65 62.29 1mjg s ILE 699 Cb 0.07 -4.09 0.07 0.00 0.01 0.00 0.00 42.46 38.52 1mjg s ILE 699 CO 0.68 0.04 1.09 0.00 0.00 0.00 0.00 174.94 176.75 1mjg s ALA 700 N 1.84 2.25 0.32 9.38 0.00 -0.65 -4.88 121.76 130.01 1mjg s ALA 700 Ca 0.55 -0.17 -0.10 0.00 0.00 0.00 0.00 51.96 52.24 1mjg s ALA 700 Cb -0.24 -3.12 0.04 0.00 0.00 0.00 0.00 23.12 19.80 1mjg s ALA 700 CO 0.23 -1.72 0.61 -0.40 0.00 0.00 0.00 175.76 174.49 1mjg n ASP 701 N -3.43 -1.78 -0.35 0.00 5.68 -1.26 -1.79 116.55 113.63 1mjg n ASP 701 Ca 0.07 -2.39 0.22 0.00 -0.50 0.00 0.00 54.79 52.20 1mjg n ASP 701 Cb 0.56 3.01 0.47 0.00 -1.14 0.00 0.00 41.12 44.02 1mjg n ASP 701 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1mjg h GLU 702 N 0.00 0.41 0.00 0.11 4.11 -1.72 -0.23 114.58 117.26 1mjg h GLU 702 Ca -0.27 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.13 1mjg h GLU 702 Cb 1.03 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1mjg h GLU 702 CO 0.35 0.27 0.00 1.79 0.07 0.00 0.00 179.01 181.49 1mjg h THR 703 N 0.42 0.00 0.00 -1.06 1.35 -1.96 -3.20 112.91 108.46 1mjg h THR 703 Ca 0.66 -0.31 -0.19 0.00 -0.55 0.00 0.00 66.41 66.02 1mjg h THR 703 Cb 1.54 1.27 -0.04 0.00 -1.73 0.00 0.00 68.15 69.20 1mjg h THR 703 CO -0.44 0.00 -1.78 2.30 -0.25 0.00 0.00 175.52 175.36 1mjg n ILE 704 N -2.99 0.72 0.00 6.82 -5.35 -0.19 -5.10 119.36 113.27 1mjg n ILE 704 Ca -0.00 -0.47 0.00 0.00 -0.27 0.00 0.00 62.75 62.00 1mjg n ILE 704 Cb 0.22 -0.59 0.00 0.00 -1.74 0.00 0.00 39.64 37.52 1mjg n ILE 704 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mjg n GLY 705 N 2.23 0.80 0.00 3.28 0.00 -0.66 -4.74 105.19 106.10 1mjg n GLY 705 Ca -0.17 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1mjg n GLY 705 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mjg n THR 706 N -0.06 0.00 -4.40 2.61 -2.24 -1.26 -4.08 114.28 104.86 1mjg n THR 706 Ca 0.00 -0.48 -0.20 0.00 -2.27 0.00 0.00 64.05 61.10 1mjg n THR 706 Cb 0.00 1.03 -0.10 0.00 -2.10 0.00 0.00 70.33 69.15 1mjg n THR 706 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1mjg s THR 707 N -0.17 1.13 0.15 4.28 -4.23 -1.26 -1.38 115.64 114.16 1mjg s THR 707 Ca 0.00 -2.02 -0.12 0.00 -1.18 0.00 0.00 61.69 58.37 1mjg s THR 707 Cb 0.00 -2.61 0.02 0.00 1.34 0.00 0.00 72.50 71.25 1mjg s THR 707 CO 0.00 -0.13 1.61 0.58 -0.54 0.00 0.00 174.62 176.14 1mjg h VAL 708 N 2.27 1.26 0.00 2.29 2.07 -1.93 -2.55 116.25 119.65 1mjg h VAL 708 Ca -0.40 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.07 1mjg h VAL 708 Cb 1.24 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1mjg h VAL 708 CO 0.67 0.37 0.00 0.44 0.02 0.00 0.00 177.57 179.07 1mjg h ASP 709 N 0.75 0.00 0.64 0.57 3.32 -1.97 0.77 116.42 120.50 1mjg h ASP 709 Ca 0.15 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.05 1mjg h ASP 709 Cb 0.49 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 1mjg h ASP 709 CO 0.02 0.00 -1.47 -0.62 -1.72 0.00 0.00 179.24 175.46 1mjg n GLU 710 N -2.73 0.63 -0.01 3.56 1.02 -1.02 -4.45 120.64 117.64 1mjg n GLU 710 Ca -0.00 0.16 0.07 0.00 -0.02 0.00 0.00 57.16 57.37 1mjg n GLU 710 Cb 0.19 -1.77 -0.11 0.00 -0.02 0.00 0.00 31.44 29.74 1mjg n GLU 710 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1mjg n ILE 711 N -2.80 0.01 0.13 -3.67 -5.35 -0.99 -4.57 119.36 102.12 1mjg n ILE 711 Ca -0.09 -0.32 -0.13 0.00 -0.27 0.00 0.00 62.75 61.94 1mjg n ILE 711 Cb 0.80 0.17 -0.06 0.00 -1.74 0.00 0.00 39.64 38.81 1mjg n ILE 711 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 1mjg h LEU 712 N 0.00 -0.42 -1.74 7.28 5.85 -1.07 0.70 115.31 125.91 1mjg h LEU 712 Ca -0.01 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.82 1mjg h LEU 712 Cb 0.65 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1mjg h LEU 712 CO 0.00 -0.24 0.30 1.55 -0.34 0.00 0.00 178.44 179.71 1mjg h PRO 713 N -0.35 0.31 -0.16 5.25 0.13 -1.82 0.94 132.00 136.31 1mjg h PRO 713 Ca 0.00 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.08 1mjg h PRO 713 Cb 0.33 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.39 1mjg h PRO 713 CO -0.04 0.21 -0.03 -0.92 -0.23 0.00 0.00 178.00 176.99 1mjg h TYR 714 N 0.32 0.34 -0.74 1.56 3.20 -1.64 0.07 116.97 120.08 1mjg h TYR 714 Ca 0.20 -0.07 0.02 0.00 3.14 0.00 0.00 58.73 62.01 1mjg h TYR 714 Cb 0.37 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.52 1mjg h TYR 714 CO -0.00 0.57 0.48 -0.07 -1.64 0.00 0.00 178.16 177.50 1mjg h LEU 715 N 0.00 0.82 -0.22 2.82 3.38 0.31 -0.81 115.31 121.60 1mjg h LEU 715 Ca 0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1mjg h LEU 715 Cb 0.46 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1mjg h LEU 715 CO 0.01 0.58 0.07 -0.33 0.09 0.00 0.00 178.44 178.87 1mjg h GLU 716 N 0.97 0.35 -0.49 1.13 5.08 -0.74 -0.06 114.58 120.83 1mjg h GLU 716 Ca 0.28 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.61 1mjg h GLU 716 Cb -0.06 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 1mjg h GLU 716 CO -0.08 0.43 0.25 1.49 -1.00 0.00 0.00 179.01 180.10 1mjg h GLU 717 N 0.20 0.48 0.00 2.33 4.81 -0.61 -0.78 114.58 121.01 1mjg h GLU 717 Ca 0.07 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1mjg h GLU 717 Cb 0.22 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1mjg h GLU 717 CO -0.00 0.32 0.00 1.63 -0.73 0.00 0.00 179.01 180.23 1mjg n LYS 718 N -4.88 0.75 -3.56 1.92 4.76 -0.34 -4.91 118.16 111.91 1mjg n LYS 718 Ca 0.04 0.01 -0.20 0.00 -2.87 0.00 0.00 58.31 55.29 1mjg n LYS 718 Cb 0.12 -1.50 0.06 0.00 -1.84 0.00 0.00 35.03 31.87 1mjg n LYS 718 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1mjg n GLY 719 N 0.81 -0.47 3.73 0.72 0.00 -0.30 -4.89 105.19 104.79 1mjg n GLY 719 Ca 0.19 0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 1mjg n GLY 719 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1mjg s HIS 720 N -3.52 2.97 0.02 1.61 2.46 -0.13 -4.95 115.29 113.74 1mjg s HIS 720 Ca 0.09 0.64 -0.04 0.00 0.47 0.00 0.00 55.06 56.22 1mjg s HIS 720 Cb -0.02 -3.99 -0.01 0.00 -0.13 0.00 0.00 32.58 28.43 1mjg s HIS 720 CO 0.78 -3.56 1.07 -1.35 -2.47 0.00 0.00 174.74 169.21 1mjg h PRO 721 N 6.22 -0.05 -1.29 2.88 0.11 -1.90 -2.63 132.00 135.34 1mjg h PRO 721 Ca -0.44 0.00 0.43 0.00 0.11 0.00 0.00 66.00 66.10 1mjg h PRO 721 Cb 1.21 0.01 -0.11 0.00 0.11 0.00 0.00 31.00 32.22 1mjg h PRO 721 CO 0.89 -0.03 0.85 0.00 -0.21 0.00 0.00 178.00 179.49 1mjg n ALA 722 N -2.72 1.26 0.17 -0.75 0.00 -1.14 0.12 120.51 117.45 1mjg n ALA 722 Ca -0.01 0.72 0.05 0.00 0.00 0.00 0.00 53.44 54.21 1mjg n ALA 722 Cb 0.04 -0.93 0.51 0.00 0.00 0.00 0.00 19.45 19.07 1mjg n ALA 722 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1mjg h LEU 723 N 0.00 0.14 -5.81 0.00 5.85 -1.66 -3.19 115.31 110.64 1mjg h LEU 723 Ca 0.77 -0.01 -0.58 0.00 0.84 0.00 0.00 57.88 58.90 1mjg h LEU 723 Cb 2.60 -0.04 -0.41 0.00 0.37 0.00 0.00 40.66 43.18 1mjg h LEU 723 CO -0.34 0.20 -0.73 0.35 -0.34 0.00 0.00 178.44 177.58 1mjg n THR 724 N -4.41 2.04 0.02 1.05 -2.24 0.32 -4.83 114.28 106.23 1mjg n THR 724 Ca -0.01 -5.16 0.00 0.00 -2.27 0.00 0.00 64.05 56.61 1mjg n THR 724 Cb 0.17 -1.64 0.00 0.00 -2.10 0.00 0.00 70.33 66.76 1mjg n THR 724 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1mjg n MET 725 N 0.44 0.00 0.00 -0.78 0.00 -1.20 -4.97 117.12 110.60 1mjg n MET 725 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.99 1mjg n MET 725 Cb 0.44 -0.10 0.00 0.00 0.00 0.00 0.00 33.22 33.56 1mjg n MET 725 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1mjg n ASP 726 N -2.77 0.00 -4.50 6.12 5.75 -1.26 -5.10 116.55 114.79 1mjg n ASP 726 Ca 0.00 0.00 -0.50 0.00 -0.01 0.00 0.00 54.79 54.28 1mjg n ASP 726 Cb 0.00 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.03 1mjg n ASP 726 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1mjg n PRO 727 N -0.65 1.27 0.00 0.11 -0.04 -1.26 -4.75 135.00 129.68 1mjg n PRO 727 Ca 0.00 0.37 0.05 0.00 -0.04 0.00 0.00 63.50 63.88 1mjg n PRO 727 Cb 0.00 -2.53 0.29 0.00 -0.04 0.00 0.00 33.50 31.22 1mjg n PRO 727 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1mjg n ILE 728 N 6.89 0.00 -0.44 0.52 3.06 -1.26 -5.18 119.36 122.94 1mjg n ILE 728 Ca 0.37 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.62 1mjg n ILE 728 Cb 0.25 -0.76 0.00 0.00 0.54 0.00 0.00 39.64 39.67 1mjg n ILE 728 CO 0.00 0.00 0.00 0.23 -2.50 0.00 0.00 176.55 174.28