#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1auj s VAL 17 N 0.00 4.55 -0.98 1.39 1.01 0.16 -3.96 120.40 122.57 1auj s VAL 17 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1auj s VAL 17 Cb 0.00 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.40 1auj s VAL 17 CO 0.00 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1auj n GLY 18 N 2.83 0.69 0.00 4.51 0.00 -1.25 -1.07 105.19 110.89 1auj n GLY 18 Ca -0.18 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1auj n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1auj n GLY 19 N -1.47 2.67 3.22 -0.02 0.00 -1.26 -4.83 105.19 103.49 1auj n GLY 19 Ca -0.11 -1.99 -0.13 0.00 0.00 0.00 0.00 46.02 43.79 1auj n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1auj s TYR 20 N 2.15 1.17 -0.15 1.61 1.13 0.52 -4.93 117.35 118.85 1auj s TYR 20 Ca 0.00 -1.19 -0.29 0.00 -1.41 0.00 0.00 57.07 54.18 1auj s TYR 20 Cb 0.00 -0.65 -0.01 0.00 -1.10 0.00 0.00 41.96 40.20 1auj s TYR 20 CO 0.00 -0.41 1.12 0.99 -2.51 0.00 0.00 175.55 174.73 1auj s THR 21 N -3.89 4.53 0.21 -3.49 2.01 -1.26 0.39 115.64 114.13 1auj s THR 21 Ca 0.30 1.83 -0.10 0.00 0.31 0.00 0.00 61.69 64.03 1auj s THR 21 Cb 0.07 -4.18 0.16 0.00 0.01 0.00 0.00 72.50 68.56 1auj s THR 21 CO 0.07 -0.09 1.87 0.00 -0.69 0.00 0.00 174.62 175.78 1auj n GLY 23 N -1.31 2.34 3.68 0.00 0.00 -1.26 -4.84 105.19 103.80 1auj n GLY 23 Ca 0.08 -1.43 -0.48 0.00 0.00 0.00 0.00 46.02 44.19 1auj n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1auj n ALA 24 N 2.03 1.01 -1.27 4.61 0.00 -1.26 -2.24 120.51 123.38 1auj n ALA 24 Ca 0.00 0.31 -0.09 0.00 0.00 0.00 0.00 53.44 53.66 1auj n ALA 24 Cb 0.00 -2.48 -0.04 0.00 0.00 0.00 0.00 19.45 16.93 1auj n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1auj n ASN 25 N 6.00 -4.63 -0.00 0.00 4.13 -1.26 -4.84 115.26 114.65 1auj n ASN 25 Ca 0.21 0.23 0.13 0.00 1.68 0.00 0.00 54.58 56.84 1auj n ASN 25 Cb 0.30 -2.96 0.50 0.00 -1.54 0.00 0.00 39.78 36.08 1auj n ASN 25 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1auj n THR 26 N -2.56 0.00 -3.65 3.41 -2.24 -0.95 -4.14 114.28 104.15 1auj n THR 26 Ca -0.09 -0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.41 1auj n THR 26 Cb 0.39 -0.25 -0.10 0.00 -2.10 0.00 0.00 70.33 68.27 1auj n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1auj n VAL 27 N -1.48 2.05 0.64 2.28 0.31 -1.26 -4.99 118.33 115.87 1auj n VAL 27 Ca 0.07 -5.07 0.12 0.00 -0.01 0.00 0.00 64.34 59.45 1auj n VAL 27 Cb 0.34 -2.14 0.46 0.00 -0.91 0.00 0.00 33.84 31.58 1auj n VAL 27 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1auj n PRO 28 N 1.37 0.12 0.00 5.55 -0.04 -1.26 -1.63 135.00 139.11 1auj n PRO 28 Ca 0.25 0.22 0.12 0.00 -0.04 0.00 0.00 63.50 64.06 1auj n PRO 28 Cb 0.38 -1.68 0.26 0.00 -0.04 0.00 0.00 33.50 32.42 1auj n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1auj n TYR 29 N -1.90 0.00 -2.47 0.54 0.18 -1.18 -2.56 117.16 109.77 1auj n TYR 29 Ca 0.05 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.40 1auj n TYR 29 Cb 0.30 -0.06 -0.03 0.00 -0.38 0.00 0.00 39.34 39.17 1auj n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1auj s GLN 30 N -2.42 4.42 0.22 -3.48 2.00 -0.65 -0.58 119.66 119.17 1auj s GLN 30 Ca 0.24 1.70 0.10 0.00 -2.00 0.00 0.00 55.36 55.40 1auj s GLN 30 Cb 0.19 -3.44 -0.04 0.00 0.80 0.00 0.00 33.01 30.52 1auj s GLN 30 CO 0.51 -0.30 -0.12 0.14 -0.50 0.00 0.00 175.29 175.01 1auj s VAL 31 N 1.48 2.94 -0.13 1.34 -7.23 -0.79 -4.35 120.40 113.66 1auj s VAL 31 Ca 0.57 -1.95 -0.01 0.00 -1.81 0.00 0.00 61.98 58.78 1auj s VAL 31 Cb -0.27 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.15 1auj s VAL 31 CO 0.26 -0.24 -0.09 -0.55 -0.31 0.00 0.00 175.10 174.18 1auj s SER 32 N -3.14 4.38 -0.16 4.85 0.15 -0.35 -2.29 113.70 117.14 1auj s SER 32 Ca 0.27 -0.21 -0.18 0.00 0.70 0.00 0.00 55.95 56.52 1auj s SER 32 Cb -0.07 -1.58 -0.04 0.00 -1.71 0.00 0.00 66.02 62.62 1auj s SER 32 CO 0.15 0.20 0.50 -0.76 1.20 0.00 0.00 173.24 174.53 1auj s LEU 33 N 0.16 4.22 -0.09 3.45 1.43 -0.11 -0.48 118.68 127.25 1auj s LEU 33 Ca -0.05 0.75 0.03 0.00 -1.03 0.00 0.00 54.13 53.83 1auj s LEU 33 Cb -0.14 -2.70 0.01 0.00 0.03 0.00 0.00 46.19 43.38 1auj s LEU 33 CO 0.04 -0.08 -0.17 0.21 0.23 0.00 0.00 176.35 176.58 1auj s ASN 34 N 0.87 2.42 -0.38 2.29 3.84 -0.04 -1.49 114.94 122.45 1auj s ASN 34 Ca 0.25 -0.43 0.09 0.00 0.21 0.00 0.00 52.86 52.99 1auj s ASN 34 Cb -0.15 -1.10 0.44 0.00 -0.55 0.00 0.00 41.25 39.89 1auj s ASN 34 CO 0.10 0.07 1.09 -1.54 -2.79 0.00 0.00 177.10 174.03 1auj n SER 37 N 3.86 3.90 0.00 -4.21 3.41 -1.26 -1.00 113.62 118.32 1auj n SER 37 Ca -0.20 -3.41 0.00 0.00 -0.26 0.00 0.00 58.87 54.99 1auj n SER 37 Cb 0.52 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1auj n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1auj n GLY 38 N -0.45 1.63 3.52 5.00 0.00 -1.26 -5.01 105.19 108.62 1auj n GLY 38 Ca 0.32 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.25 1auj n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1auj s TYR 39 N -2.31 -0.34 0.14 1.61 1.13 -1.26 -5.13 117.35 111.18 1auj s TYR 39 Ca 0.00 0.29 -0.31 0.00 -1.41 0.00 0.00 57.07 55.64 1auj s TYR 39 Cb 0.00 0.52 -0.09 0.00 -1.10 0.00 0.00 41.96 41.29 1auj s TYR 39 CO 0.00 -0.49 1.45 -1.58 -2.51 0.00 0.00 175.55 172.42 1auj s HIS 40 N -2.71 3.18 0.00 -3.49 5.65 -1.26 -4.18 115.29 112.47 1auj s HIS 40 Ca 0.04 0.85 0.00 0.00 0.25 0.00 0.00 55.06 56.20 1auj s HIS 40 Cb -0.01 -3.77 0.00 0.00 -1.18 0.00 0.00 32.58 27.62 1auj s HIS 40 CO -0.07 -2.73 0.00 1.97 -0.65 0.00 0.00 174.74 173.26 1auj n PHE 41 N 3.89 0.00 -3.45 3.88 -1.74 -0.56 -4.97 117.46 114.52 1auj n PHE 41 Ca 0.12 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.89 1auj n PHE 41 Cb 0.41 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.39 1auj n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1auj s GLY 43 N -2.54 1.71 0.15 0.00 0.00 0.10 -0.94 107.32 105.81 1auj s GLY 43 Ca 0.01 -2.08 -0.21 0.00 0.00 0.00 0.00 44.72 42.44 1auj s GLY 43 CO -0.10 -1.52 1.01 0.61 0.00 0.00 0.00 173.10 173.11 1auj n GLY 44 N -2.57 0.58 2.94 0.20 0.00 -0.97 -4.04 105.19 101.33 1auj n GLY 44 Ca 0.17 -1.12 -0.18 0.00 0.00 0.00 0.00 46.02 44.88 1auj n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1auj s SER 45 N -3.37 0.82 -0.20 1.61 0.01 -0.27 -1.89 113.70 110.40 1auj s SER 45 Ca 0.23 -0.12 -0.29 0.00 1.31 0.00 0.00 55.95 57.08 1auj s SER 45 Cb -0.02 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 65.97 1auj s SER 45 CO 0.04 0.02 1.05 -0.22 0.41 0.00 0.00 173.24 174.54 1auj s LEU 46 N 0.32 4.13 -0.02 2.44 2.96 0.26 -1.16 118.68 127.61 1auj s LEU 46 Ca -0.04 1.43 0.14 0.00 -0.22 0.00 0.00 54.13 55.44 1auj s LEU 46 Cb -0.08 -3.54 -0.21 0.00 0.50 0.00 0.00 46.19 42.86 1auj s LEU 46 CO -0.00 -0.64 0.29 2.30 -1.32 0.00 0.00 176.35 176.98 1auj n ILE 47 N 5.19 0.02 -3.71 6.68 -5.35 -0.81 -0.71 119.36 120.67 1auj n ILE 47 Ca 0.12 -0.32 -0.07 0.00 -0.27 0.00 0.00 62.75 62.21 1auj n ILE 47 Cb 0.46 0.16 0.02 0.00 -1.74 0.00 0.00 39.64 38.55 1auj n ILE 47 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1auj n ASN 48 N -1.99 -1.92 0.12 7.28 0.23 -1.20 -4.59 115.26 113.20 1auj n ASN 48 Ca -0.03 -2.29 0.09 0.00 -0.53 0.00 0.00 54.58 51.82 1auj n ASN 48 Cb 0.37 3.18 0.46 0.00 -2.08 0.00 0.00 39.78 41.71 1auj n ASN 48 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1auj n SER 49 N -1.42 0.45 0.00 0.53 3.41 -1.26 -2.66 113.62 112.67 1auj n SER 49 Ca -0.07 0.69 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 1auj n SER 49 Cb 0.51 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 1auj n SER 49 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1auj n GLN 50 N -2.09 0.05 -4.22 4.33 6.02 -1.26 0.44 117.38 120.64 1auj n GLN 50 Ca -0.01 -0.46 -0.18 0.00 -0.01 0.00 0.00 57.00 56.34 1auj n GLN 50 Cb 0.06 -0.76 -0.15 0.00 1.02 0.00 0.00 30.24 30.41 1auj n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1auj s TRP 51 N -0.14 0.67 0.02 1.08 0.52 -1.09 -0.82 118.94 119.18 1auj s TRP 51 Ca 0.00 -0.15 0.08 0.00 0.02 0.00 0.00 56.10 56.06 1auj s TRP 51 Cb 0.00 -0.50 -0.02 0.00 -1.15 0.00 0.00 33.47 31.79 1auj s TRP 51 CO 0.00 -0.08 -0.25 0.08 0.02 0.00 0.00 176.95 176.72 1auj s VAL 52 N 0.26 2.02 -0.10 4.03 1.01 0.29 -1.93 120.40 125.99 1auj s VAL 52 Ca -0.03 -1.23 -0.01 0.00 0.00 0.00 0.00 61.98 60.71 1auj s VAL 52 Cb -0.07 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 1auj s VAL 52 CO -0.00 0.44 -0.04 0.54 0.00 0.00 0.00 175.10 176.04 1auj s VAL 53 N -0.70 3.89 0.10 2.92 0.11 -0.31 -0.35 120.40 126.05 1auj s VAL 53 Ca 0.10 -0.39 0.02 0.00 -2.93 0.00 0.00 61.98 58.78 1auj s VAL 53 Cb -0.10 -2.63 -0.01 0.00 -1.53 0.00 0.00 36.38 32.11 1auj s VAL 53 CO 0.01 0.57 0.10 -0.24 -3.33 0.00 0.00 175.10 172.20 1auj n SER 54 N 2.61 -0.26 -4.77 3.54 2.88 -0.11 -1.12 113.62 116.39 1auj n SER 54 Ca -0.18 -1.62 -0.39 0.00 -1.33 0.00 0.00 58.87 55.35 1auj n SER 54 Cb 0.53 0.56 -0.06 0.00 -0.75 0.00 0.00 64.21 64.49 1auj n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1auj s ALA 55 N -2.27 3.46 0.47 -1.46 0.00 -1.26 -0.78 121.76 119.93 1auj s ALA 55 Ca 0.11 0.24 0.13 0.00 0.00 0.00 0.00 51.96 52.44 1auj s ALA 55 Cb 0.00 -2.88 1.10 0.00 0.00 0.00 0.00 23.12 21.34 1auj s ALA 55 CO 0.08 0.25 2.09 0.00 0.00 0.00 0.00 175.76 178.18 1auj h ALA 56 N 4.82 1.86 0.00 0.00 0.00 -1.71 0.61 119.26 124.84 1auj h ALA 56 Ca -0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1auj h ALA 56 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1auj h ALA 56 CO 0.67 0.12 0.00 -2.39 0.00 0.00 0.00 179.25 177.65 1auj n HIS 57 N -4.48 0.00 1.45 0.00 1.44 -1.26 -1.52 115.22 110.85 1auj n HIS 57 Ca -0.01 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.84 1auj n HIS 57 Cb 0.11 -0.47 0.51 0.00 0.12 0.00 0.00 29.99 30.26 1auj n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1auj n TYR 59 N -0.19 2.99 -3.66 0.00 9.36 -0.57 -4.99 117.16 120.09 1auj n TYR 59 Ca 0.17 0.38 -0.04 0.00 3.32 0.00 0.00 57.90 61.73 1auj n TYR 59 Cb 0.33 -2.56 -0.01 0.00 -0.63 0.00 0.00 39.34 36.47 1auj n TYR 59 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 1auj s LYS 60 N -1.62 0.95 0.56 2.98 -2.85 -1.26 -5.14 119.74 113.35 1auj s LYS 60 Ca 0.56 -0.48 -0.07 0.00 -1.00 0.00 0.00 55.97 54.98 1auj s LYS 60 Cb -0.48 0.35 -0.02 0.00 -2.06 0.00 0.00 37.83 35.63 1auj s LYS 60 CO 0.59 -0.43 0.89 -1.12 0.10 0.00 0.00 175.35 175.39 1auj s SER 61 N -2.79 5.96 -0.48 0.03 0.01 -1.26 -4.58 113.70 110.60 1auj s SER 61 Ca 0.10 0.96 -0.01 0.00 1.31 0.00 0.00 55.95 58.31 1auj s SER 61 Cb -0.00 -2.08 0.00 0.00 0.21 0.00 0.00 66.02 64.15 1auj s SER 61 CO -0.02 -0.86 0.41 0.61 0.41 0.00 0.00 173.24 173.79 1auj n GLY 62 N -2.52 0.23 3.70 3.44 0.00 -1.26 -5.01 105.19 103.77 1auj n GLY 62 Ca 0.03 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 1auj n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1auj s ILE 63 N -3.13 5.32 -0.16 -0.61 1.01 -1.26 -4.52 121.20 117.85 1auj s ILE 63 Ca 0.08 0.41 -0.06 0.00 0.00 0.00 0.00 60.65 61.09 1auj s ILE 63 Cb -0.04 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 1auj s ILE 63 CO 0.28 0.36 0.03 -1.58 0.00 0.00 0.00 174.94 174.02 1auj s GLN 64 N 0.80 3.72 -0.21 2.79 0.74 -0.17 -2.09 119.66 125.25 1auj s GLN 64 Ca 0.13 -0.38 -0.17 0.00 0.05 0.00 0.00 55.36 54.99 1auj s GLN 64 Cb -0.13 -3.07 -0.04 0.00 1.10 0.00 0.00 33.01 30.87 1auj s GLN 64 CO 0.04 0.37 0.43 0.08 -0.55 0.00 0.00 175.29 175.66 1auj s VAL 65 N 0.08 5.17 -0.32 1.34 1.01 0.12 -0.86 120.40 126.94 1auj s VAL 65 Ca 0.04 0.77 -0.07 0.00 0.00 0.00 0.00 61.98 62.72 1auj s VAL 65 Cb -0.13 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.51 1auj s VAL 65 CO 0.01 0.22 0.10 -0.13 0.00 0.00 0.00 175.10 175.31 1auj s ARG 65 N 1.46 2.96 0.32 2.72 0.52 0.37 -0.94 118.95 126.36 1auj s ARG 65 Ca 0.20 -0.95 0.07 0.00 -0.52 0.00 0.00 55.73 54.53 1auj s ARG 65 Cb -0.15 -3.44 -0.02 0.00 0.52 0.00 0.00 34.95 31.85 1auj s ARG 65 CO 0.09 -0.52 0.34 -0.51 0.02 0.00 0.00 175.30 174.72 1auj s LEU 66 N 1.49 3.79 -0.97 2.53 1.43 0.33 -1.21 118.68 126.08 1auj s LEU 66 Ca 0.02 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1auj s LEU 66 Cb -0.18 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.60 1auj s LEU 66 CO 0.03 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 176.90 1auj n GLY 69 N -1.44 0.84 3.83 -3.19 0.00 -1.26 -1.51 105.19 102.46 1auj n GLY 69 Ca -0.02 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 1auj n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1auj s GLU 70 N -3.21 4.12 0.00 1.61 0.41 -1.26 -3.79 118.70 116.57 1auj s GLU 70 Ca 0.00 0.68 0.00 0.00 -0.41 0.00 0.00 54.97 55.24 1auj s GLU 70 Cb 0.00 -2.95 0.00 0.00 -1.78 0.00 0.00 34.13 29.40 1auj s GLU 70 CO 0.00 0.46 0.00 -3.47 -0.49 0.00 0.00 175.26 171.76 1auj n ASP 71 N 0.89 0.00 -4.61 -0.19 2.03 -1.26 -4.53 116.55 108.87 1auj n ASP 71 Ca -0.05 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.83 1auj n ASP 71 Cb 0.51 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.89 1auj n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1auj s ASN 72 N 0.87 6.16 0.00 1.67 3.84 -1.25 -3.55 114.94 122.67 1auj s ASN 72 Ca 0.00 1.30 0.24 0.00 0.21 0.00 0.00 52.86 54.61 1auj s ASN 72 Cb 0.00 -2.53 1.11 0.00 -0.55 0.00 0.00 41.25 39.28 1auj s ASN 72 CO 0.00 -1.50 1.78 2.30 -2.79 0.00 0.00 177.10 176.90 1auj n ILE 73 N 7.02 0.31 0.58 -5.21 -5.35 -0.06 -2.65 119.36 113.98 1auj n ILE 73 Ca 0.20 0.08 0.09 0.00 -0.27 0.00 0.00 62.75 62.85 1auj n ILE 73 Cb 0.46 -0.67 0.11 0.00 -1.74 0.00 0.00 39.64 37.80 1auj n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1auj n ASN 74 N -1.40 2.72 -3.89 7.28 3.02 -1.26 -4.95 115.26 116.78 1auj n ASN 74 Ca 0.08 -1.81 -0.18 0.00 -0.03 0.00 0.00 54.58 52.65 1auj n ASN 74 Cb 0.24 -0.07 -0.16 0.00 -0.61 0.00 0.00 39.78 39.18 1auj n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1auj s VAL 75 N -1.44 0.38 -0.59 2.41 1.01 -1.09 -5.10 120.40 115.98 1auj s VAL 75 Ca 0.25 -0.09 -0.28 0.00 0.00 0.00 0.00 61.98 61.85 1auj s VAL 75 Cb 0.16 -0.40 0.03 0.00 0.00 0.00 0.00 36.38 36.17 1auj s VAL 75 CO 0.24 0.16 1.24 -0.69 0.00 0.00 0.00 175.10 176.05 1auj s VAL 76 N 0.59 3.94 -0.68 2.92 1.01 -1.26 -4.67 120.40 122.25 1auj s VAL 76 Ca -0.07 0.81 0.22 0.00 0.00 0.00 0.00 61.98 62.95 1auj s VAL 76 Cb -0.10 -4.70 -0.17 0.00 0.00 0.00 0.00 36.38 31.41 1auj s VAL 76 CO -0.00 -1.37 0.95 -0.62 0.00 0.00 0.00 175.10 174.06 1auj n GLU 77 N 8.59 0.23 0.00 2.72 1.02 -1.26 -4.98 120.64 126.95 1auj n GLU 77 Ca 0.09 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1auj n GLU 77 Cb 0.49 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 1auj n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1auj n GLY 78 N 1.40 1.13 0.37 0.62 0.00 -1.26 -4.98 105.19 102.48 1auj n GLY 78 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.07 1auj n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1auj n ASN 79 N 0.00 2.39 -4.84 1.61 3.02 -1.26 -5.03 115.26 111.14 1auj n ASN 79 Ca 0.00 -1.87 -0.34 0.00 -0.03 0.00 0.00 54.58 52.35 1auj n ASN 79 Cb 0.00 -0.12 -0.06 0.00 -0.61 0.00 0.00 39.78 38.99 1auj n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1auj s GLU 80 N -0.92 4.05 -0.11 3.52 8.01 -1.25 -4.35 118.70 127.66 1auj s GLU 80 Ca 0.13 0.69 0.01 0.00 0.01 0.00 0.00 54.97 55.81 1auj s GLU 80 Cb 0.07 -2.59 0.02 0.00 -4.31 0.00 0.00 34.13 27.32 1auj s GLU 80 CO 0.09 0.25 -0.13 -0.65 0.01 0.00 0.00 175.26 174.83 1auj s GLN 81 N -2.65 2.04 -0.26 1.61 -0.21 -0.57 -4.97 119.66 114.65 1auj s GLN 81 Ca 0.50 -0.49 -0.05 0.00 0.02 0.00 0.00 55.36 55.35 1auj s GLN 81 Cb -0.12 -1.79 0.01 0.00 1.00 0.00 0.00 33.01 32.10 1auj s GLN 81 CO 0.19 -0.11 0.01 -0.06 -2.12 0.00 0.00 175.29 173.20 1auj s PHE 82 N 1.13 3.08 -0.03 0.91 0.08 -1.26 -0.51 117.98 121.37 1auj s PHE 82 Ca -0.04 -1.10 0.02 0.00 0.12 0.00 0.00 56.93 55.92 1auj s PHE 82 Cb -0.14 -2.16 0.01 0.00 -0.57 0.00 0.00 43.02 40.16 1auj s PHE 82 CO -0.03 -0.60 -0.06 0.42 -0.10 0.00 0.00 175.22 174.84 1auj s ILE 83 N 1.45 0.63 0.39 0.64 1.01 -0.12 -4.97 121.20 120.23 1auj s ILE 83 Ca 0.03 -0.23 -0.24 0.00 0.00 0.00 0.00 60.65 60.21 1auj s ILE 83 Cb -0.16 -0.60 -0.09 0.00 0.01 0.00 0.00 42.46 41.62 1auj s ILE 83 CO -0.01 0.22 1.06 -0.44 0.00 0.00 0.00 174.94 175.77 1auj s SER 84 N 0.55 6.78 0.17 3.58 0.01 -1.26 0.11 113.70 123.64 1auj s SER 84 Ca -0.08 2.07 -0.30 0.00 1.31 0.00 0.00 55.95 58.95 1auj s SER 84 Cb -0.11 -2.59 -0.07 0.00 0.21 0.00 0.00 66.02 63.45 1auj s SER 84 CO 0.00 -0.47 1.09 0.00 0.41 0.00 0.00 173.24 174.27 1auj s ALA 85 N -1.61 3.36 -0.13 1.44 0.00 -0.89 0.70 121.76 124.64 1auj s ALA 85 Ca 0.57 0.80 0.18 0.00 0.00 0.00 0.00 51.96 53.50 1auj s ALA 85 Cb -0.23 -3.35 -0.18 0.00 0.00 0.00 0.00 23.12 19.36 1auj s ALA 85 CO 0.29 -0.21 0.66 -1.13 0.00 0.00 0.00 175.76 175.38 1auj n SER 86 N 2.47 0.62 -3.51 0.00 3.41 0.11 -4.71 113.62 112.01 1auj n SER 86 Ca 0.03 0.27 -0.14 0.00 -0.26 0.00 0.00 58.87 58.77 1auj n SER 86 Cb 0.46 0.53 -0.04 0.00 -0.26 0.00 0.00 64.21 64.90 1auj n SER 86 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1auj s LYS 87 N -2.94 0.99 0.03 4.33 -2.85 -1.17 -5.01 119.74 113.13 1auj s LYS 87 Ca -0.05 -0.00 0.05 0.00 -1.00 0.00 0.00 55.97 54.97 1auj s LYS 87 Cb 0.09 0.46 -0.02 0.00 -2.06 0.00 0.00 37.83 36.30 1auj s LYS 87 CO 0.83 -0.36 -0.14 -1.54 0.10 0.00 0.00 175.35 174.24 1auj s SER 88 N -1.70 1.66 -0.19 0.03 1.04 -1.26 -0.30 113.70 112.98 1auj s SER 88 Ca -0.04 -0.44 -0.01 0.00 0.48 0.00 0.00 55.95 55.93 1auj s SER 88 Cb -0.00 -0.11 0.05 0.00 0.10 0.00 0.00 66.02 66.06 1auj s SER 88 CO 0.01 0.04 -0.01 -0.63 0.98 0.00 0.00 173.24 173.63 1auj s ILE 89 N -0.80 0.91 0.26 -1.02 1.01 0.12 -4.99 121.20 116.68 1auj s ILE 89 Ca 0.02 -0.68 -0.24 0.00 0.00 0.00 0.00 60.65 59.75 1auj s ILE 89 Cb -0.08 -1.24 -0.09 0.00 0.01 0.00 0.00 42.46 41.07 1auj s ILE 89 CO 0.01 -0.05 0.85 -0.69 0.00 0.00 0.00 174.94 175.06 1auj s VAL 90 N 1.70 4.33 0.21 2.92 1.01 -1.26 -0.97 120.40 128.33 1auj s VAL 90 Ca -0.01 1.67 -0.32 0.00 0.00 0.00 0.00 61.98 63.32 1auj s VAL 90 Cb -0.17 -4.01 -0.14 0.00 0.00 0.00 0.00 36.38 32.06 1auj s VAL 90 CO -0.07 0.25 1.37 1.57 0.00 0.00 0.00 175.10 178.22 1auj n HIS 91 N 0.85 1.95 0.11 5.22 -0.00 -0.94 -4.84 115.22 117.58 1auj n HIS 91 Ca -0.01 0.48 0.18 0.00 0.46 0.00 0.00 57.72 58.82 1auj n HIS 91 Cb 0.50 -2.42 0.73 0.00 -0.12 0.00 0.00 29.99 28.68 1auj n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1auj h PRO 92 N 4.25 0.00 -0.35 1.57 0.13 -1.94 -1.70 132.00 133.96 1auj h PRO 92 Ca -0.45 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.63 1auj h PRO 92 Cb 1.29 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 1auj h PRO 92 CO 0.76 0.00 0.02 0.43 -0.23 0.00 0.00 178.00 178.98 1auj n SER 93 N -4.15 3.99 -4.71 1.44 7.64 -1.26 -5.00 113.62 111.56 1auj n SER 93 Ca 0.05 -3.13 -0.42 0.00 1.01 0.00 0.00 58.87 56.38 1auj n SER 93 Cb 0.45 -0.59 -0.03 0.00 -1.01 0.00 0.00 64.21 63.03 1auj n SER 93 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1auj s TYR 94 N -2.90 2.64 -0.29 1.43 5.04 -0.64 -4.67 117.35 117.96 1auj s TYR 94 Ca 0.45 0.21 -0.03 0.00 -2.44 0.00 0.00 57.07 55.27 1auj s TYR 94 Cb 0.37 -4.16 0.04 0.00 0.35 0.00 0.00 41.96 38.56 1auj s TYR 94 CO 0.09 -4.51 0.01 1.21 -1.34 0.00 0.00 175.55 171.00 1auj s ASN 95 N 1.71 4.84 0.27 4.32 3.84 -0.57 -4.98 114.94 124.36 1auj s ASN 95 Ca 0.77 -1.13 0.24 0.00 0.21 0.00 0.00 52.86 52.95 1auj s ASN 95 Cb -0.49 -1.73 0.99 0.00 -0.55 0.00 0.00 41.25 39.47 1auj s ASN 95 CO 0.34 -0.24 1.72 -1.54 -2.79 0.00 0.00 177.10 174.59 1auj n SER 96 N 4.68 0.70 0.01 -4.21 3.41 -1.26 0.49 113.62 117.43 1auj n SER 96 Ca -0.14 0.67 -0.21 0.00 -0.26 0.00 0.00 58.87 58.93 1auj n SER 96 Cb 0.45 -0.82 -0.14 0.00 -0.26 0.00 0.00 64.21 63.44 1auj n SER 96 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1auj h ASN 97 N 0.00 0.37 0.19 4.04 2.35 -1.97 -3.38 115.58 117.18 1auj h ASN 97 Ca 0.00 -0.88 0.00 0.00 -0.55 0.00 0.00 56.30 54.87 1auj h ASN 97 Cb 0.38 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1auj h ASN 97 CO 0.00 1.49 -1.17 0.35 -1.65 0.00 0.00 177.43 176.46 1auj n THR 98 N -4.07 0.06 -1.24 2.81 -2.24 -1.13 -4.96 114.28 103.51 1auj n THR 98 Ca -0.20 -0.18 -0.08 0.00 -2.27 0.00 0.00 64.05 61.31 1auj n THR 98 Cb 0.84 0.48 -0.04 0.00 -2.10 0.00 0.00 70.33 69.51 1auj n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1auj n LEU 99 N -1.81 -0.41 -4.73 3.22 4.77 0.18 -4.97 117.00 113.25 1auj n LEU 99 Ca 0.02 0.21 -0.42 0.00 -0.03 0.00 0.00 56.01 55.79 1auj n LEU 99 Cb 0.41 -1.86 -0.03 0.00 -2.33 0.00 0.00 43.42 39.61 1auj n LEU 99 CO 0.42 -0.65 1.06 0.21 -1.33 0.00 0.00 177.39 177.10 1auj s ASN 100 N -2.57 6.80 -0.66 -1.43 2.47 -1.20 -2.99 114.94 115.35 1auj s ASN 100 Ca 0.00 2.44 -0.04 0.00 0.42 0.00 0.00 52.86 55.68 1auj s ASN 100 Cb 0.00 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.20 1auj s ASN 100 CO 0.00 -0.63 0.58 0.59 -3.72 0.00 0.00 177.10 173.92 1auj n ASN 101 N 3.19 -3.83 -4.58 -4.21 3.02 -1.26 -1.51 115.26 106.07 1auj n ASN 101 Ca 0.09 -0.28 -0.42 0.00 -0.03 0.00 0.00 54.58 53.95 1auj n ASN 101 Cb 0.42 -2.77 -0.01 0.00 -0.61 0.00 0.00 39.78 36.81 1auj n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1auj s ASP 102 N -3.25 6.68 -0.24 6.41 2.15 -1.16 -4.36 116.67 122.90 1auj s ASP 102 Ca 0.24 -2.35 -0.20 0.00 0.43 0.00 0.00 52.55 50.68 1auj s ASP 102 Cb -0.11 -2.58 0.07 0.00 -0.30 0.00 0.00 42.92 40.00 1auj s ASP 102 CO 0.36 -1.34 0.63 -0.51 -0.17 0.00 0.00 175.17 174.14 1auj s ILE 103 N 4.83 -0.00 0.05 4.11 2.07 -1.26 -3.93 121.20 127.06 1auj s ILE 103 Ca 0.55 0.01 -0.08 0.00 -1.41 0.00 0.00 60.65 59.72 1auj s ILE 103 Cb 0.03 -0.89 -0.00 0.00 0.13 0.00 0.00 42.46 41.74 1auj s ILE 103 CO 0.08 0.00 0.16 0.00 -1.91 0.00 0.00 174.94 173.27 1auj s MET 104 N 0.70 0.69 -0.01 3.50 0.23 0.04 -2.20 119.30 122.25 1auj s MET 104 Ca -0.03 -0.75 0.06 0.00 -1.03 0.00 0.00 55.69 53.94 1auj s MET 104 Cb -0.05 0.28 -0.03 0.00 -1.53 0.00 0.00 34.83 33.50 1auj s MET 104 CO -0.05 -0.20 -0.17 -0.51 -2.03 0.00 0.00 175.02 172.07 1auj s LEU 105 N -2.28 2.60 -0.12 0.18 1.43 -0.14 -0.93 118.68 119.40 1auj s LEU 105 Ca -0.03 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1auj s LEU 105 Cb 0.00 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.73 1auj s LEU 105 CO -0.06 0.31 -0.14 -0.63 0.23 0.00 0.00 176.35 176.06 1auj s ILE 106 N -0.80 1.49 -0.09 -0.59 1.01 0.52 0.11 121.20 122.85 1auj s ILE 106 Ca 0.13 -0.61 -0.18 0.00 0.00 0.00 0.00 60.65 59.99 1auj s ILE 106 Cb -0.10 -1.38 -0.05 0.00 0.01 0.00 0.00 42.46 40.94 1auj s ILE 106 CO 0.02 0.44 0.46 -0.75 0.00 0.00 0.00 174.94 175.12 1auj s LYS 107 N 1.23 4.26 0.42 2.79 2.20 0.59 -0.54 119.74 130.68 1auj s LYS 107 Ca -0.01 0.45 -0.16 0.00 -0.36 0.00 0.00 55.97 55.89 1auj s LYS 107 Cb -0.14 -3.39 -0.09 0.00 -1.51 0.00 0.00 37.83 32.71 1auj s LYS 107 CO -0.05 0.27 0.86 -0.51 -0.36 0.00 0.00 175.35 175.56 1auj s LEU 108 N 0.24 3.87 0.25 5.43 1.43 0.00 0.06 118.68 129.97 1auj s LEU 108 Ca 0.25 1.42 -0.05 0.00 -1.03 0.00 0.00 54.13 54.72 1auj s LEU 108 Cb -0.16 -4.28 0.29 0.00 0.03 0.00 0.00 46.19 42.07 1auj s LEU 108 CO 0.11 -0.39 1.87 0.11 0.23 0.00 0.00 176.35 178.28 1auj h LYS 109 N 1.59 1.15 -4.89 1.70 1.57 -0.01 -3.40 116.57 114.29 1auj h LYS 109 Ca -0.48 -0.14 -0.29 0.00 -1.87 0.00 0.00 60.65 57.87 1auj h LYS 109 Cb 1.18 -0.22 -0.16 0.00 0.08 0.00 0.00 32.23 33.11 1auj h LYS 109 CO 0.63 0.86 -0.72 -1.54 -0.57 0.00 0.00 179.45 178.11 1auj s SER 110 N -6.32 1.43 0.31 0.86 1.04 -1.26 -4.98 113.70 104.78 1auj s SER 110 Ca -0.12 -0.91 -0.29 0.00 0.48 0.00 0.00 55.95 55.11 1auj s SER 110 Cb 0.17 0.03 -0.10 0.00 0.10 0.00 0.00 66.02 66.22 1auj s SER 110 CO 0.82 -0.34 1.22 0.00 0.98 0.00 0.00 173.24 175.92 1auj s ALA 111 N -2.97 3.45 0.77 5.32 0.00 -1.26 -4.82 121.76 122.24 1auj s ALA 111 Ca 0.10 1.10 -0.11 0.00 0.00 0.00 0.00 51.96 53.05 1auj s ALA 111 Cb 0.01 -3.41 0.05 0.00 0.00 0.00 0.00 23.12 19.77 1auj s ALA 111 CO -0.01 -0.44 1.09 0.00 0.00 0.00 0.00 175.76 176.40 1auj s ALA 112 N -1.16 2.26 -0.40 0.00 0.00 0.17 -4.99 121.76 117.64 1auj s ALA 112 Ca 0.47 0.28 -0.17 0.00 0.00 0.00 0.00 51.96 52.54 1auj s ALA 112 Cb -0.36 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.49 1auj s ALA 112 CO 0.47 -1.75 0.45 -1.12 0.00 0.00 0.00 175.76 173.82 1auj s SER 113 N -3.36 6.22 0.31 0.00 0.01 -1.26 -4.88 113.70 110.74 1auj s SER 113 Ca 0.61 -0.46 -0.26 0.00 1.31 0.00 0.00 55.95 57.16 1auj s SER 113 Cb -0.17 -2.23 -0.10 0.00 0.21 0.00 0.00 66.02 63.73 1auj s SER 113 CO 0.55 -0.53 0.93 -0.76 0.41 0.00 0.00 173.24 173.84 1auj s LEU 114 N 2.21 4.35 0.00 2.44 1.43 -1.26 -4.83 118.68 123.02 1auj s LEU 114 Ca 0.14 1.81 -0.05 0.00 -1.03 0.00 0.00 54.13 55.00 1auj s LEU 114 Cb -0.16 -3.97 0.02 0.00 0.03 0.00 0.00 46.19 42.10 1auj s LEU 114 CO 0.14 -0.05 0.23 -0.46 0.23 0.00 0.00 176.35 176.44 1auj n ASN 115 N 0.60 -0.62 0.25 2.29 0.23 0.24 -4.97 115.26 113.29 1auj n ASN 115 Ca 0.01 -1.41 0.11 0.00 -0.53 0.00 0.00 54.58 52.76 1auj n ASN 115 Cb 0.50 1.03 0.68 0.00 -2.08 0.00 0.00 39.78 39.91 1auj n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1auj h SER 116 N 0.56 0.00 0.11 0.53 4.64 -2.00 -2.82 113.55 114.56 1auj h SER 116 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1auj h SER 116 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1auj h SER 116 CO 0.12 0.13 -1.80 0.54 -0.87 0.00 0.00 176.83 174.94 1auj n ARG 117 N -3.88 0.60 -3.92 4.77 1.74 -1.26 -4.79 116.66 109.91 1auj n ARG 117 Ca -0.02 -0.15 -0.29 0.00 -0.77 0.00 0.00 57.85 56.62 1auj n ARG 117 Cb 0.22 -1.55 -0.16 0.00 -1.02 0.00 0.00 32.46 29.95 1auj n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1auj s VAL 118 N -3.46 1.31 -0.04 1.55 1.01 -1.07 -4.47 120.40 115.24 1auj s VAL 118 Ca -0.06 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 60.92 1auj s VAL 118 Cb 0.14 -1.48 0.03 0.00 0.00 0.00 0.00 36.38 35.07 1auj s VAL 118 CO 0.89 0.09 0.38 0.00 0.00 0.00 0.00 175.10 176.47 1auj s ALA 119 N 1.54 -0.98 0.67 5.51 0.00 -1.06 0.80 121.76 128.24 1auj s ALA 119 Ca -0.01 0.59 -0.11 0.00 0.00 0.00 0.00 51.96 52.44 1auj s ALA 119 Cb -0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 1auj s ALA 119 CO -0.08 -0.27 1.05 -1.54 0.00 0.00 0.00 175.76 174.92 1auj s SER 120 N -1.12 5.69 0.01 0.00 1.04 -1.26 -3.11 113.70 114.95 1auj s SER 120 Ca -0.12 1.49 0.05 0.00 0.48 0.00 0.00 55.95 57.85 1auj s SER 120 Cb -0.04 -2.42 -0.03 0.00 0.10 0.00 0.00 66.02 63.62 1auj s SER 120 CO 0.05 -1.22 -0.12 -0.51 0.98 0.00 0.00 173.24 172.42 1auj s ILE 121 N -3.13 3.27 0.22 -1.02 1.10 0.11 -4.87 121.20 116.89 1auj s ILE 121 Ca 0.57 -0.92 -0.30 0.00 -0.51 0.00 0.00 60.65 59.49 1auj s ILE 121 Cb -0.13 -2.40 -0.08 0.00 0.15 0.00 0.00 42.46 40.00 1auj s ILE 121 CO 0.54 0.39 1.02 -0.44 -2.11 0.00 0.00 174.94 174.35 1auj s SER 122 N -1.36 7.44 0.55 4.50 0.01 -1.26 -4.59 113.70 119.00 1auj s SER 122 Ca 0.16 2.05 -0.19 0.00 1.31 0.00 0.00 55.95 59.28 1auj s SER 122 Cb -0.11 -2.61 -0.06 0.00 0.21 0.00 0.00 66.02 63.46 1auj s SER 122 CO 0.06 -0.03 1.13 -0.76 0.41 0.00 0.00 173.24 174.04 1auj s LEU 123 N -0.95 3.73 0.45 2.44 1.43 -1.26 -1.35 118.68 123.17 1auj s LEU 123 Ca 0.44 2.16 -0.22 0.00 -1.03 0.00 0.00 54.13 55.48 1auj s LEU 123 Cb -0.28 -4.58 -0.08 0.00 0.03 0.00 0.00 46.19 41.28 1auj s LEU 123 CO 0.35 -1.24 1.09 -2.16 0.23 0.00 0.00 176.35 174.62 1auj s PRO 124 N -3.34 3.89 -0.05 1.29 0.04 -1.26 -4.80 135.00 130.77 1auj s PRO 124 Ca 0.72 1.56 0.13 0.00 0.04 0.00 0.00 61.00 63.45 1auj s PRO 124 Cb -0.24 -2.35 -0.23 0.00 0.04 0.00 0.00 34.50 31.73 1auj s PRO 124 CO 0.28 -0.39 0.62 0.25 0.04 0.00 0.00 177.00 177.79 1auj n THR 125 N -0.52 1.59 -4.20 1.26 -2.24 -1.26 -4.95 114.28 103.96 1auj n THR 125 Ca 0.07 -0.80 -0.15 0.00 -2.27 0.00 0.00 64.05 60.90 1auj n THR 125 Cb 0.50 -0.99 -0.11 0.00 -2.10 0.00 0.00 70.33 67.63 1auj n THR 125 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1auj s SER 127 N -6.03 1.62 0.45 3.42 0.01 -1.26 -5.14 113.70 106.76 1auj s SER 127 Ca -0.05 -0.83 -0.23 0.00 1.31 0.00 0.00 55.95 56.15 1auj s SER 127 Cb 0.08 -0.01 -0.08 0.00 0.21 0.00 0.00 66.02 66.22 1auj s SER 127 CO 0.83 -0.24 1.15 0.00 0.41 0.00 0.00 173.24 175.39 1auj s ALA 129 N -1.55 3.38 0.20 0.00 0.00 -1.26 -5.07 121.76 117.46 1auj s ALA 129 Ca 0.62 -0.19 0.05 0.00 0.00 0.00 0.00 51.96 52.44 1auj s ALA 129 Cb -0.28 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.15 1auj s ALA 129 CO 0.34 0.12 0.23 -1.12 0.00 0.00 0.00 175.76 175.33 1auj s SER 130 N -2.92 5.88 0.18 0.00 0.01 -1.26 -5.05 113.70 110.54 1auj s SER 130 Ca 0.51 -0.05 -0.33 0.00 1.31 0.00 0.00 55.95 57.40 1auj s SER 130 Cb -0.10 -1.63 -0.15 0.00 0.21 0.00 0.00 66.02 64.34 1auj s SER 130 CO 0.28 0.01 1.19 0.00 0.41 0.00 0.00 173.24 175.13 1auj n ALA 132 N -0.81 -0.56 0.00 1.44 0.00 -1.26 -2.21 120.51 117.11 1auj n ALA 132 Ca -0.08 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1auj n ALA 132 Cb 0.56 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.95 1auj n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1auj n GLY 133 N 2.04 2.21 3.74 0.00 0.00 0.26 -4.96 105.19 108.47 1auj n GLY 133 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1auj n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1auj s THR 134 N -2.33 2.07 0.12 2.61 2.01 -0.94 -4.63 115.64 114.56 1auj s THR 134 Ca 0.00 0.06 -0.24 0.00 0.31 0.00 0.00 61.69 61.82 1auj s THR 134 Cb 0.00 -3.04 -0.07 0.00 0.01 0.00 0.00 72.50 69.40 1auj s THR 134 CO 0.00 0.01 0.73 -1.10 -0.69 0.00 0.00 174.62 173.57 1auj s GLN 135 N 0.00 4.48 0.21 4.92 -1.52 -1.26 -0.87 119.66 125.62 1auj s GLN 135 Ca 0.67 1.05 0.01 0.00 -1.95 0.00 0.00 55.36 55.14 1auj s GLN 135 Cb -0.48 -3.28 -0.05 0.00 -0.22 0.00 0.00 33.01 28.98 1auj s GLN 135 CO 0.43 0.52 0.05 0.00 -0.25 0.00 0.00 175.29 176.04 1auj s LEU 137 N -3.23 2.61 -0.06 0.00 2.96 -0.13 -0.92 118.68 119.91 1auj s LEU 137 Ca 0.31 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.75 1auj s LEU 137 Cb 0.07 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 1auj s LEU 137 CO 0.09 -0.00 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.43 1auj s ILE 138 N 1.36 3.85 0.03 6.68 1.01 0.82 -1.63 121.20 133.31 1auj s ILE 138 Ca 0.05 -0.45 -0.06 0.00 0.00 0.00 0.00 60.65 60.18 1auj s ILE 138 Cb -0.14 -2.60 -0.01 0.00 0.01 0.00 0.00 42.46 39.73 1auj s ILE 138 CO -0.06 0.58 0.11 -0.94 0.00 0.00 0.00 174.94 174.62 1auj s SER 139 N -0.90 0.13 0.00 3.58 1.04 -1.24 0.13 113.70 116.44 1auj s SER 139 Ca 0.13 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1auj s SER 139 Cb -0.11 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1auj s SER 139 CO 0.02 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.39 1auj n GLY 140 N 0.97 0.88 1.59 7.32 0.00 -0.62 -4.43 105.19 110.90 1auj n GLY 140 Ca -0.20 -0.99 0.03 0.00 0.00 0.00 0.00 46.02 44.86 1auj n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1auj n TRP 141 N -0.49 1.80 -1.51 1.61 8.01 -1.26 -2.30 117.44 123.29 1auj n TRP 141 Ca 0.00 -0.97 -0.30 0.00 -1.31 0.00 0.00 57.50 54.92 1auj n TRP 141 Cb 0.00 -0.51 0.19 0.00 -2.01 0.00 0.00 31.31 28.99 1auj n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1auj s GLY 142 N -1.32 1.65 0.41 6.99 0.00 -1.24 -4.29 107.32 109.52 1auj s GLY 142 Ca 0.51 -0.93 -0.23 0.00 0.00 0.00 0.00 44.72 44.06 1auj s GLY 142 CO 0.12 -0.18 0.76 -2.01 0.00 0.00 0.00 173.10 171.80 1auj n ASN 143 N -4.14 0.10 -0.52 1.64 5.15 0.13 -2.44 115.26 115.17 1auj n ASN 143 Ca 0.12 0.97 0.05 0.00 -0.60 0.00 0.00 54.58 55.13 1auj n ASN 143 Cb 0.59 -1.22 0.09 0.00 -0.53 0.00 0.00 39.78 38.72 1auj n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1auj n THR 144 N -0.68 0.45 -5.12 -0.44 -2.24 -0.68 -1.04 114.28 104.54 1auj n THR 144 Ca 0.11 -0.72 -0.32 0.00 -2.27 0.00 0.00 64.05 60.85 1auj n THR 144 Cb 0.39 0.90 -0.15 0.00 -2.10 0.00 0.00 70.33 69.37 1auj n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1auj s LYS 145 N -0.95 2.64 0.26 -0.78 -0.14 -1.26 -4.44 119.74 115.08 1auj s LYS 145 Ca 0.17 -0.83 0.09 0.00 -1.36 0.00 0.00 55.97 54.05 1auj s LYS 145 Cb 0.10 -2.27 0.31 0.00 -1.68 0.00 0.00 37.83 34.29 1auj s LYS 145 CO 0.14 0.42 1.59 0.66 -0.76 0.00 0.00 175.35 177.40 1auj h SER 146 N 5.98 0.04 -3.33 2.83 4.64 -1.94 -3.40 113.55 118.36 1auj h SER 146 Ca -0.35 -0.02 -0.37 0.00 -0.47 0.00 0.00 61.79 60.58 1auj h SER 146 Cb 1.17 -0.01 -0.38 0.00 -0.31 0.00 0.00 62.40 62.87 1auj h SER 146 CO 0.49 0.67 -0.74 -0.44 -0.87 0.00 0.00 176.83 175.94 1auj s SER 147 N -6.85 1.06 0.00 4.97 0.01 -1.26 -4.52 113.70 107.11 1auj s SER 147 Ca -0.02 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.31 1auj s SER 147 Cb 0.12 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.20 1auj s SER 147 CO 0.77 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.80 1auj n GLY 148 N 5.16 0.85 2.74 3.44 0.00 -1.26 -5.06 105.19 111.06 1auj n GLY 148 Ca -0.06 -2.13 -0.19 0.00 0.00 0.00 0.00 46.02 43.64 1auj n GLY 148 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1auj s THR 149 N -1.31 0.05 -0.25 2.61 -4.23 -1.26 -4.48 115.64 106.77 1auj s THR 149 Ca 0.00 0.27 -0.04 0.00 -1.18 0.00 0.00 61.69 60.74 1auj s THR 149 Cb 0.00 -0.24 0.14 0.00 1.34 0.00 0.00 72.50 73.73 1auj s THR 149 CO 0.00 0.18 0.47 -0.55 -0.54 0.00 0.00 174.62 174.17 1auj s SER 150 N 1.73 -0.40 -0.23 3.99 0.15 -1.26 -5.00 113.70 112.69 1auj s SER 150 Ca -0.00 0.70 -0.12 0.00 0.70 0.00 0.00 55.95 57.23 1auj s SER 150 Cb -0.13 1.54 -0.05 0.00 -1.71 0.00 0.00 66.02 65.68 1auj s SER 150 CO -0.03 -0.27 0.22 -0.31 1.20 0.00 0.00 173.24 174.05 1auj s TYR 151 N 2.67 3.33 0.52 3.44 1.51 -1.26 -1.68 117.35 125.89 1auj s TYR 151 Ca 0.09 0.33 -0.18 0.00 -1.01 0.00 0.00 57.07 56.29 1auj s TYR 151 Cb -0.14 -2.33 -0.07 0.00 -0.11 0.00 0.00 41.96 39.31 1auj s TYR 151 CO -0.17 0.05 1.04 -1.25 -1.11 0.00 0.00 175.55 174.12 1auj s PRO 152 N 1.10 3.65 0.13 -1.71 0.04 -1.26 -4.97 135.00 131.97 1auj s PRO 152 Ca 0.10 1.27 0.17 0.00 0.04 0.00 0.00 61.00 62.59 1auj s PRO 152 Cb -0.14 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.25 1auj s PRO 152 CO 0.05 -0.55 0.99 -0.44 0.04 0.00 0.00 177.00 177.10 1auj h ASP 153 N 1.12 0.00 -2.23 6.66 3.32 -1.94 -3.47 116.42 119.88 1auj h ASP 153 Ca -0.48 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.03 1auj h ASP 153 Cb 1.22 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.69 1auj h ASP 153 CO 0.59 0.51 -0.59 0.68 -1.72 0.00 0.00 179.24 178.71 1auj s VAL 154 N -2.97 3.91 0.17 -1.35 -7.23 -1.26 -0.89 120.40 110.78 1auj s VAL 154 Ca -0.01 -1.66 -0.30 0.00 -1.81 0.00 0.00 61.98 58.19 1auj s VAL 154 Cb 0.08 -3.09 -0.08 0.00 0.56 0.00 0.00 36.38 33.85 1auj s VAL 154 CO 0.79 -0.35 1.33 -0.22 -0.31 0.00 0.00 175.10 176.34 1auj s LEU 155 N -3.71 4.40 0.04 1.32 2.96 -1.23 -4.83 118.68 117.62 1auj s LEU 155 Ca 0.32 2.36 0.03 0.00 -0.22 0.00 0.00 54.13 56.62 1auj s LEU 155 Cb -0.07 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 1auj s LEU 155 CO 0.22 -0.56 0.01 -0.54 -1.32 0.00 0.00 176.35 174.16 1auj s LYS 156 N 0.31 2.73 0.11 1.98 -0.14 -0.97 -1.43 119.74 122.33 1auj s LYS 156 Ca 0.59 -0.69 0.08 0.00 -1.36 0.00 0.00 55.97 54.60 1auj s LYS 156 Cb -0.36 -2.64 -0.04 0.00 -1.68 0.00 0.00 37.83 33.11 1auj s LYS 156 CO 0.35 0.59 -0.20 0.00 -0.76 0.00 0.00 175.35 175.33 1auj s LEU 158 N -2.05 0.86 -0.08 0.00 2.96 0.12 -0.36 118.68 120.14 1auj s LEU 158 Ca 0.08 0.27 -0.20 0.00 -0.22 0.00 0.00 54.13 54.06 1auj s LEU 158 Cb -0.09 0.33 -0.04 0.00 0.50 0.00 0.00 46.19 46.89 1auj s LEU 158 CO 0.05 -0.13 0.56 -0.54 -1.32 0.00 0.00 176.35 174.96 1auj s LYS 159 N 1.02 4.35 -0.09 1.98 -0.14 -1.26 -0.13 119.74 125.47 1auj s LYS 159 Ca -0.08 0.63 -0.16 0.00 -1.36 0.00 0.00 55.97 55.00 1auj s LYS 159 Cb -0.10 -3.41 0.03 0.00 -1.68 0.00 0.00 37.83 32.67 1auj s LYS 159 CO -0.05 0.19 0.39 0.00 -0.76 0.00 0.00 175.35 175.12 1auj s ALA 160 N 0.46 -0.97 0.35 5.17 0.00 -0.10 -4.94 121.76 121.73 1auj s ALA 160 Ca 0.30 0.81 -0.10 0.00 0.00 0.00 0.00 51.96 52.97 1auj s ALA 160 Cb -0.16 -0.30 -0.07 0.00 0.00 0.00 0.00 23.12 22.59 1auj s ALA 160 CO 0.14 -0.23 0.70 -1.25 0.00 0.00 0.00 175.76 175.11 1auj s PRO 161 N -0.55 3.81 0.17 0.00 0.04 -1.26 0.43 135.00 137.64 1auj s PRO 161 Ca -0.07 0.41 -0.30 0.00 0.04 0.00 0.00 61.00 61.09 1auj s PRO 161 Cb -0.04 -2.47 -0.08 0.00 0.04 0.00 0.00 34.50 31.95 1auj s PRO 161 CO 0.03 0.09 1.24 0.42 0.04 0.00 0.00 177.00 178.82 1auj s ILE 162 N -2.17 3.50 0.36 0.56 1.01 -0.05 -2.01 121.20 122.40 1auj s ILE 162 Ca 0.50 1.22 -0.05 0.00 0.00 0.00 0.00 60.65 62.32 1auj s ILE 162 Cb -0.10 -3.78 -0.05 0.00 0.01 0.00 0.00 42.46 38.54 1auj s ILE 162 CO 0.27 0.17 0.65 -0.76 0.00 0.00 0.00 174.94 175.27 1auj s LEU 163 N 0.05 3.91 0.56 2.97 2.01 -0.40 -0.57 118.68 127.21 1auj s LEU 163 Ca 0.55 0.81 -0.20 0.00 0.01 0.00 0.00 54.13 55.30 1auj s LEU 163 Cb -0.34 -3.67 -0.04 0.00 0.01 0.00 0.00 46.19 42.15 1auj s LEU 163 CO 0.36 -0.34 1.24 -0.94 1.01 0.00 0.00 176.35 177.68 1auj s SER 164 N -3.50 5.35 0.35 2.29 1.04 -1.26 -4.61 113.70 113.36 1auj s SER 164 Ca 0.46 2.48 0.09 0.00 0.48 0.00 0.00 55.95 59.45 1auj s SER 164 Cb -0.10 -2.61 0.81 0.00 0.10 0.00 0.00 66.02 64.21 1auj s SER 164 CO 0.34 -1.49 1.85 -0.78 0.98 0.00 0.00 173.24 174.15 1auj h ASP 165 N 1.22 0.68 -0.11 7.02 3.58 -1.97 -0.97 116.42 125.87 1auj h ASP 165 Ca -0.50 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 56.98 1auj h ASP 165 Cb 1.29 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 42.25 1auj h ASP 165 CO 0.56 0.33 0.01 0.77 -2.88 0.00 0.00 179.24 178.03 1auj h SER 166 N 0.71 0.17 -0.78 2.28 4.64 -1.98 0.11 113.55 118.70 1auj h SER 166 Ca 0.47 -0.28 0.03 0.00 -0.47 0.00 0.00 61.79 61.54 1auj h SER 166 Cb 0.76 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.75 1auj h SER 166 CO -0.23 0.41 0.49 0.28 -0.87 0.00 0.00 176.83 176.91 1auj h SER 167 N -0.06 0.82 0.35 4.97 0.02 -1.82 0.02 113.55 117.84 1auj h SER 167 Ca 0.03 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1auj h SER 167 Cb 0.31 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 1auj h SER 167 CO 0.00 0.56 -0.21 0.00 -1.14 0.00 0.00 176.83 176.05 1auj h LYS 169 N -0.53 0.35 0.00 0.00 1.57 -0.49 -0.92 116.57 116.55 1auj h LYS 169 Ca -0.04 -0.09 -0.14 0.00 -1.87 0.00 0.00 60.65 58.51 1auj h LYS 169 Cb 0.44 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1auj h LYS 169 CO 0.04 0.48 -0.68 0.77 -0.57 0.00 0.00 179.45 179.49 1auj h SER 170 N 0.33 0.00 -0.08 0.86 0.02 -0.89 -2.24 113.55 111.56 1auj h SER 170 Ca 0.07 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.86 1auj h SER 170 Cb 0.41 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1auj h SER 170 CO 0.02 0.68 -0.48 0.00 -1.14 0.00 0.00 176.83 175.92 1auj h ALA 171 N 1.32 0.72 -2.10 3.77 0.00 -0.39 -3.38 119.26 119.19 1auj h ALA 171 Ca -0.01 -0.48 -0.58 0.00 0.00 0.00 0.00 54.91 53.84 1auj h ALA 171 Cb 1.27 -0.10 -0.41 0.00 0.00 0.00 0.00 17.79 18.56 1auj h ALA 171 CO 0.09 0.67 -0.83 0.66 0.00 0.00 0.00 179.25 179.84 1auj n TYR 172 N -4.00 1.80 -1.65 0.00 4.01 -0.42 -4.94 117.16 111.97 1auj n TYR 172 Ca -0.03 -3.88 -0.49 0.00 -0.16 0.00 0.00 57.90 53.34 1auj n TYR 172 Cb 0.57 -0.46 -0.05 0.00 -0.31 0.00 0.00 39.34 39.09 1auj n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1auj n PRO 173 N 1.10 1.78 -0.90 -0.72 -0.02 -0.85 -1.98 135.00 133.42 1auj n PRO 173 Ca 0.26 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 1auj n PRO 173 Cb 0.47 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1auj n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1auj n GLY 174 N 3.42 0.94 0.00 -1.23 0.00 -1.26 -4.83 105.19 102.22 1auj n GLY 174 Ca 0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.24 1auj n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1auj n GLN 175 N -2.03 3.95 -3.48 1.61 6.02 -0.83 -4.99 117.38 117.63 1auj n GLN 175 Ca 0.00 -0.01 -0.38 0.00 -0.01 0.00 0.00 57.00 56.60 1auj n GLN 175 Cb 0.00 -0.83 -0.09 0.00 1.02 0.00 0.00 30.24 30.34 1auj n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1auj s ILE 176 N -1.70 5.24 0.59 5.09 -1.09 -1.25 -5.04 121.20 123.04 1auj s ILE 176 Ca 0.01 0.45 0.10 0.00 -2.23 0.00 0.00 60.65 58.97 1auj s ILE 176 Cb 0.03 -3.63 0.10 0.00 -1.58 0.00 0.00 42.46 37.38 1auj s ILE 176 CO 0.20 0.23 0.81 0.35 -1.23 0.00 0.00 174.94 175.30 1auj n THR 177 N 4.77 0.00 1.21 2.92 -2.24 -1.26 -4.98 114.28 114.70 1auj n THR 177 Ca -0.11 -1.97 0.10 0.00 -2.27 0.00 0.00 64.05 59.80 1auj n THR 177 Cb 0.51 -0.50 0.58 0.00 -2.10 0.00 0.00 70.33 68.83 1auj n THR 177 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1auj n SER 178 N -2.31 0.00 -0.98 3.42 3.41 -1.26 -2.39 113.62 113.50 1auj n SER 178 Ca 0.16 -0.49 0.08 0.00 -0.26 0.00 0.00 58.87 58.36 1auj n SER 178 Cb 0.61 -0.07 0.24 0.00 -0.26 0.00 0.00 64.21 64.73 1auj n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1auj n ASN 179 N -1.07 3.64 -4.20 4.04 3.02 -1.26 -4.91 115.26 114.53 1auj n ASN 179 Ca 0.14 -2.29 -0.19 0.00 -0.03 0.00 0.00 54.58 52.21 1auj n ASN 179 Cb 0.09 -0.40 -0.12 0.00 -0.61 0.00 0.00 39.78 38.74 1auj n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1auj s MET 180 N -1.53 0.90 0.06 3.52 -1.94 -1.01 -0.33 119.30 118.97 1auj s MET 180 Ca 0.36 -1.05 -0.04 0.00 -1.71 0.00 0.00 55.69 53.25 1auj s MET 180 Cb 0.22 -0.90 -0.02 0.00 2.01 0.00 0.00 34.83 36.14 1auj s MET 180 CO 0.19 0.19 0.05 -0.59 -0.01 0.00 0.00 175.02 174.85 1auj s PHE 181 N -1.50 0.36 -0.02 -0.03 -0.12 0.39 -4.79 117.98 112.27 1auj s PHE 181 Ca 0.02 -0.83 -0.00 0.00 -0.05 0.00 0.00 56.93 56.07 1auj s PHE 181 Cb -0.09 -0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 42.01 1auj s PHE 181 CO 0.03 -0.41 0.05 0.00 -0.05 0.00 0.00 175.22 174.84 1auj s ALA 183 N -1.12 -0.21 0.00 0.00 0.00 -0.99 -1.27 121.76 118.17 1auj s ALA 183 Ca 0.21 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.41 1auj s ALA 183 Cb -0.12 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.86 1auj s ALA 183 CO 0.11 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.24 1auj n GLY 184 N 3.05 0.39 2.70 0.00 0.00 -0.85 -3.46 105.19 107.02 1auj n GLY 184 Ca -0.12 -1.18 -0.20 0.00 0.00 0.00 0.00 46.02 44.52 1auj n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1auj s TYR 184 N -3.57 0.15 0.49 1.61 2.02 -1.26 -4.43 117.35 112.36 1auj s TYR 184 Ca 0.00 0.17 0.17 0.00 -0.37 0.00 0.00 57.07 57.05 1auj s TYR 184 Cb 0.00 -0.49 1.21 0.00 -0.40 0.00 0.00 41.96 42.28 1auj s TYR 184 CO 0.00 -0.19 2.05 -0.07 -1.57 0.00 0.00 175.55 175.77 1auj h LEU 185 N 8.22 0.14 -0.82 -1.29 3.38 -1.96 0.53 115.31 123.50 1auj h LEU 185 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1auj h LEU 185 Cb 1.12 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1auj h LEU 185 CO 0.22 0.09 0.00 -1.84 0.09 0.00 0.00 178.44 177.00 1auj n GLU 186 N -4.47 0.18 0.00 1.13 0.00 -1.26 0.18 120.64 116.40 1auj n GLU 186 Ca 0.05 0.46 0.00 0.00 0.00 0.00 0.00 57.16 57.67 1auj n GLU 186 Cb 0.31 -1.88 0.00 0.00 0.00 0.00 0.00 31.44 29.87 1auj n GLU 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1auj n GLY 187 N -0.27 -1.77 1.55 -1.84 0.00 0.18 -4.33 105.19 98.69 1auj n GLY 187 Ca 0.01 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1auj n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1auj n GLY 188 N 0.00 2.82 2.87 -0.02 0.00 -0.34 -4.87 105.19 105.64 1auj n GLY 188 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1auj n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1auj s LYS 188 N -0.01 0.41 -0.06 1.61 1.02 -1.26 -3.95 119.74 117.49 1auj s LYS 188 Ca 0.00 -0.02 -0.32 0.00 0.02 0.00 0.00 55.97 55.65 1auj s LYS 188 Cb 0.00 -0.50 0.12 0.00 -0.52 0.00 0.00 37.83 36.94 1auj s LYS 188 CO 0.00 -0.06 1.22 0.34 -0.92 0.00 0.00 175.35 175.93 1auj s ASP 189 N 0.66 -0.11 0.92 2.83 -1.08 -0.23 -4.48 116.67 115.17 1auj s ASP 189 Ca -0.07 -0.11 -0.13 0.00 -0.52 0.00 0.00 52.55 51.72 1auj s ASP 189 Cb -0.10 0.19 0.15 0.00 -1.46 0.00 0.00 42.92 41.70 1auj s ASP 189 CO -0.01 -0.34 1.18 -0.94 0.52 0.00 0.00 175.17 175.58 1auj s SER 190 N -2.68 3.49 0.22 -0.34 1.04 -1.26 0.38 113.70 114.54 1auj s SER 190 Ca 0.12 0.75 -0.08 0.00 0.48 0.00 0.00 55.95 57.22 1auj s SER 190 Cb 0.02 -1.18 0.03 0.00 0.10 0.00 0.00 66.02 64.99 1auj s SER 190 CO -0.04 -2.54 0.44 0.00 0.98 0.00 0.00 173.24 172.08 1auj n GLN 192 N -0.29 2.55 0.00 0.00 1.13 -1.26 -1.60 117.38 117.90 1auj n GLN 192 Ca -0.05 0.92 0.00 0.00 -1.94 0.00 0.00 57.00 55.93 1auj n GLN 192 Cb 0.33 -2.73 0.00 0.00 0.11 0.00 0.00 30.24 27.94 1auj n GLN 192 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1auj n GLY 193 N 3.72 0.59 0.01 1.08 0.00 -1.26 0.20 105.19 109.53 1auj n GLY 193 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 1auj n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1auj n ASP 194 N 0.00 0.66 -4.63 1.61 8.00 -0.63 -3.71 116.55 117.85 1auj n ASP 194 Ca 0.00 -0.42 -0.42 0.00 0.71 0.00 0.00 54.79 54.66 1auj n ASP 194 Cb 0.00 0.56 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 1auj n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1auj n SER 195 N -1.63 1.63 0.00 -2.24 7.64 -1.26 -1.92 113.62 115.84 1auj n SER 195 Ca 0.04 1.09 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1auj n SER 195 Cb 0.36 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 1auj n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1auj n GLY 196 N 1.09 2.43 3.92 0.23 0.00 -0.04 0.02 105.19 112.83 1auj n GLY 196 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1auj n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1auj s GLY 197 N -1.94 1.67 0.23 -0.02 0.00 -0.81 -3.43 107.32 103.03 1auj s GLY 197 Ca 0.00 -0.91 -0.20 0.00 0.00 0.00 0.00 44.72 43.62 1auj s GLY 197 CO 0.00 -0.34 0.74 2.56 0.00 0.00 0.00 173.10 176.05 1auj s PRO 198 N -5.60 4.26 -0.29 2.90 0.04 -1.26 -0.98 135.00 134.07 1auj s PRO 198 Ca 0.65 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.58 1auj s PRO 198 Cb -0.09 -2.86 0.06 0.00 0.04 0.00 0.00 34.50 31.66 1auj s PRO 198 CO 0.49 0.38 -0.03 0.08 0.04 0.00 0.00 177.00 177.96 1auj s VAL 199 N -1.55 2.67 -0.20 -0.36 1.01 0.17 -3.62 120.40 118.53 1auj s VAL 199 Ca 0.44 -1.54 -0.06 0.00 0.00 0.00 0.00 61.98 60.82 1auj s VAL 199 Cb -0.16 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1auj s VAL 199 CO 0.21 -0.12 0.02 -0.69 0.00 0.00 0.00 175.10 174.52 1auj s VAL 200 N 1.18 4.22 -0.10 2.92 1.01 -0.65 -0.23 120.40 128.75 1auj s VAL 200 Ca -0.05 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.71 1auj s VAL 200 Cb -0.20 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.29 1auj s VAL 200 CO -0.03 0.43 -0.12 0.00 0.00 0.00 0.00 175.10 175.38 1auj n SER 202 N 4.40 -3.31 0.00 0.00 7.64 -1.26 -1.12 113.62 119.96 1auj n SER 202 Ca -0.18 -0.91 0.00 0.00 1.01 0.00 0.00 58.87 58.79 1auj n SER 202 Cb 0.51 -3.29 0.00 0.00 -1.01 0.00 0.00 64.21 60.42 1auj n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1auj n GLY 203 N -1.60 0.59 3.31 0.23 0.00 -1.26 -5.01 105.19 101.45 1auj n GLY 203 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1auj n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1auj s LYS 204 N -0.13 2.35 -0.40 1.61 -0.14 -0.28 -4.03 119.74 118.71 1auj s LYS 204 Ca 0.00 -0.89 -0.28 0.00 -1.36 0.00 0.00 55.97 53.43 1auj s LYS 204 Cb 0.00 -2.13 -0.00 0.00 -1.68 0.00 0.00 37.83 34.01 1auj s LYS 204 CO 0.00 0.49 1.60 -1.17 -0.76 0.00 0.00 175.35 175.51 1auj s LEU 209 N -0.43 3.52 -0.02 3.17 2.96 -0.46 -0.34 118.68 127.08 1auj s LEU 209 Ca 0.04 0.95 0.15 0.00 -0.22 0.00 0.00 54.13 55.05 1auj s LEU 209 Cb -0.12 -3.42 -0.24 0.00 0.50 0.00 0.00 46.19 42.92 1auj s LEU 209 CO 0.01 -1.64 0.35 0.00 -1.32 0.00 0.00 176.35 173.76 1auj n GLN 210 N 8.35 0.54 -3.85 1.98 1.13 0.68 -4.06 117.38 122.15 1auj n GLN 210 Ca 0.19 -0.13 -0.09 0.00 -1.94 0.00 0.00 57.00 55.03 1auj n GLN 210 Cb 0.48 -1.36 -0.07 0.00 0.11 0.00 0.00 30.24 29.40 1auj n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1auj s GLY 211 N -3.71 0.07 -0.09 1.08 0.00 -0.91 -1.46 107.32 102.30 1auj s GLY 211 Ca -0.05 -0.57 0.02 0.00 0.00 0.00 0.00 44.72 44.12 1auj s GLY 211 CO 0.64 -0.75 -0.12 -0.42 0.00 0.00 0.00 173.10 172.44 1auj s ILE 212 N -3.74 1.24 0.02 0.90 1.01 -1.01 -0.65 121.20 118.96 1auj s ILE 212 Ca 0.04 -0.50 -0.34 0.00 0.00 0.00 0.00 60.65 59.85 1auj s ILE 212 Cb 0.04 -1.15 -0.12 0.00 0.01 0.00 0.00 42.46 41.24 1auj s ILE 212 CO -0.10 0.39 1.78 0.52 0.00 0.00 0.00 174.94 177.52 1auj n VAL 213 N 4.17 0.37 0.01 2.92 0.31 -0.15 -1.19 118.33 124.78 1auj n VAL 213 Ca -0.20 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 1auj n VAL 213 Cb 0.51 -1.79 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 1auj n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1auj n SER 214 N 5.48 0.28 -3.52 4.52 2.88 -1.01 -0.86 113.62 121.39 1auj n SER 214 Ca 0.20 0.04 -0.09 0.00 -1.33 0.00 0.00 58.87 57.69 1auj n SER 214 Cb 0.30 -0.08 -0.02 0.00 -0.75 0.00 0.00 64.21 63.66 1auj n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1auj s TRP 215 N -1.26 0.25 -0.05 0.66 1.48 -0.99 -4.91 118.94 114.12 1auj s TRP 215 Ca 0.00 -0.71 -0.31 0.00 -1.06 0.00 0.00 56.10 54.02 1auj s TRP 215 Cb 0.00 0.48 0.11 0.00 -1.16 0.00 0.00 33.47 32.90 1auj s TRP 215 CO 0.00 -1.26 1.13 0.20 -4.06 0.00 0.00 176.95 172.96 1auj s GLY 216 N -3.04 -0.35 -0.89 3.67 0.00 -1.26 -0.83 107.32 104.61 1auj s GLY 216 Ca 0.19 0.97 -0.15 0.00 0.00 0.00 0.00 44.72 45.72 1auj s GLY 216 CO 0.11 0.28 0.93 -0.45 0.00 0.00 0.00 173.10 173.97 1auj s SER 217 N -2.60 6.76 0.61 1.64 0.15 -1.26 -4.91 113.70 114.08 1auj s SER 217 Ca 0.10 -2.53 0.00 0.00 0.70 0.00 0.00 55.95 54.23 1auj s SER 217 Cb 0.01 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 1auj s SER 217 CO -0.04 -0.73 0.00 0.61 1.20 0.00 0.00 173.24 174.28 1auj n GLY 219 N 4.43 -1.42 3.16 9.45 0.00 -1.26 -4.73 105.19 114.82 1auj n GLY 219 Ca 0.19 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 1auj n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1auj n ALA 221 N 3.61 -0.34 -1.94 0.00 0.00 -1.26 -4.59 120.51 115.98 1auj n ALA 221 Ca -0.20 0.20 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1auj n ALA 221 Cb 0.53 -1.73 -0.07 0.00 0.00 0.00 0.00 19.45 18.18 1auj n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1auj s GLN 221 N -3.98 4.14 0.23 0.00 -1.52 -1.26 -1.20 119.66 116.06 1auj s GLN 221 Ca 0.00 0.94 -0.30 0.00 -1.95 0.00 0.00 55.36 54.05 1auj s GLN 221 Cb 0.00 -2.27 -0.09 0.00 -0.22 0.00 0.00 33.01 30.42 1auj s GLN 221 CO 0.00 0.04 1.35 -1.59 -0.25 0.00 0.00 175.29 174.84 1auj s LYS 222 N -3.13 4.35 -0.07 2.91 0.00 -1.26 -2.17 119.74 120.37 1auj s LYS 222 Ca 0.59 2.16 0.00 0.00 0.00 0.00 0.00 55.97 58.71 1auj s LYS 222 Cb -0.09 -3.15 0.00 0.00 0.00 0.00 0.00 37.83 34.59 1auj s LYS 222 CO 0.15 -0.29 0.00 0.09 0.00 0.00 0.00 175.35 175.30 1auj n ASN 223 N 2.28 -4.37 -3.35 0.03 3.02 0.49 -4.92 115.26 108.44 1auj n ASN 223 Ca 0.05 0.02 -0.26 0.00 -0.03 0.00 0.00 54.58 54.36 1auj n ASN 223 Cb 0.42 -1.93 -0.08 0.00 -0.61 0.00 0.00 39.78 37.58 1auj n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1auj n LYS 224 N -1.25 1.53 -1.41 3.52 4.76 -0.92 -4.74 118.16 119.65 1auj n LYS 224 Ca -0.01 -3.92 -0.32 0.00 -2.87 0.00 0.00 58.31 51.19 1auj n LYS 224 Cb 0.24 -1.76 0.08 0.00 -1.84 0.00 0.00 35.03 31.75 1auj n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1auj s PRO 225 N -1.68 2.35 0.60 1.97 0.04 -1.26 -4.34 135.00 132.67 1auj s PRO 225 Ca 0.36 1.32 -0.18 0.00 0.04 0.00 0.00 61.00 62.54 1auj s PRO 225 Cb 0.14 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.75 1auj s PRO 225 CO -0.08 -1.59 1.19 0.20 0.04 0.00 0.00 177.00 176.76 1auj s GLY 226 N -2.94 2.66 -0.05 0.56 0.00 -1.22 -4.69 107.32 101.63 1auj s GLY 226 Ca 0.65 0.95 0.04 0.00 0.00 0.00 0.00 44.72 46.35 1auj s GLY 226 CO 0.50 1.33 -0.15 0.14 0.00 0.00 0.00 173.10 174.92 1auj s VAL 227 N -1.70 2.96 0.02 1.40 1.01 -0.01 -2.36 120.40 121.72 1auj s VAL 227 Ca 0.76 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 62.03 1auj s VAL 227 Cb -0.29 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 1auj s VAL 227 CO 0.34 0.59 -0.14 -0.31 0.00 0.00 0.00 175.10 175.57 1auj s TYR 228 N -0.63 1.27 0.09 5.22 2.02 0.17 -2.35 117.35 123.15 1auj s TYR 228 Ca 0.09 -0.31 -0.31 0.00 -0.37 0.00 0.00 57.07 56.18 1auj s TYR 228 Cb -0.11 -0.78 -0.08 0.00 -0.40 0.00 0.00 41.96 40.60 1auj s TYR 228 CO 0.01 0.02 1.44 0.99 -1.57 0.00 0.00 175.55 176.43 1auj s THR 229 N -0.63 3.28 -0.82 -0.71 2.01 -0.33 -0.47 115.64 117.98 1auj s THR 229 Ca 0.03 0.87 -0.26 0.00 0.31 0.00 0.00 61.69 62.65 1auj s THR 229 Cb -0.07 -3.56 0.02 0.00 0.01 0.00 0.00 72.50 68.91 1auj s THR 229 CO 0.01 0.05 1.47 -0.75 -0.69 0.00 0.00 174.62 174.70 1auj s LYS 230 N 1.51 3.17 0.38 4.92 2.20 0.55 -2.41 119.74 130.05 1auj s LYS 230 Ca 0.66 -0.37 0.07 0.00 -0.36 0.00 0.00 55.97 55.97 1auj s LYS 230 Cb -0.37 -4.62 0.74 0.00 -1.51 0.00 0.00 37.83 32.07 1auj s LYS 230 CO 0.30 -2.36 1.94 0.28 -0.36 0.00 0.00 175.35 175.15 1auj h VAL 231 N 6.48 1.16 0.00 4.02 2.07 -1.57 -2.76 116.25 125.66 1auj h VAL 231 Ca -0.11 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1auj h VAL 231 Cb 1.05 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1auj h VAL 231 CO 1.31 0.21 0.00 0.00 0.02 0.00 0.00 177.57 179.11 1auj n ASN 233 N -3.01 0.36 -0.27 0.00 3.02 -1.04 -3.87 115.26 110.45 1auj n ASN 233 Ca -0.03 0.55 0.03 0.00 -0.03 0.00 0.00 54.58 55.10 1auj n ASN 233 Cb 0.07 -0.64 0.04 0.00 -0.61 0.00 0.00 39.78 38.64 1auj n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1auj n TYR 234 N -1.85 0.05 -0.32 3.10 4.01 0.43 -4.73 117.16 117.85 1auj n TYR 234 Ca 0.06 -0.10 0.05 0.00 -0.16 0.00 0.00 57.90 57.74 1auj n TYR 234 Cb 0.34 -0.01 0.24 0.00 -0.31 0.00 0.00 39.34 39.60 1auj n TYR 234 CO 0.00 0.00 0.00 -0.39 -0.46 0.00 0.00 176.86 176.01 1auj h VAL 235 N 1.18 1.03 -0.41 -0.72 -1.51 -1.66 0.28 116.25 114.44 1auj h VAL 235 Ca 0.00 -0.35 -0.09 0.00 -1.23 0.00 0.00 66.70 65.03 1auj h VAL 235 Cb 0.33 -0.09 -0.01 0.00 -2.13 0.00 0.00 31.29 29.39 1auj h VAL 235 CO 0.00 0.19 -0.10 0.77 -1.23 0.00 0.00 177.57 177.20 1auj h SER 236 N 1.03 0.81 -0.26 4.19 4.64 -1.89 0.94 113.55 123.01 1auj h SER 236 Ca 0.42 -0.36 0.01 0.00 -0.47 0.00 0.00 61.79 61.38 1auj h SER 236 Cb 0.27 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1auj h SER 236 CO -0.17 0.98 0.16 -0.25 -0.87 0.00 0.00 176.83 176.68 1auj h TRP 237 N 0.62 0.30 -0.05 4.77 7.01 -1.59 -0.21 115.95 126.80 1auj h TRP 237 Ca 0.11 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.13 1auj h TRP 237 Cb 0.63 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.57 1auj h TRP 237 CO 0.05 0.19 -0.02 0.82 -2.79 0.00 0.00 178.44 176.69 1auj h ILE 238 N 0.33 0.92 -0.26 2.65 2.04 -0.77 0.31 117.51 122.74 1auj h ILE 238 Ca 0.10 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 1auj h ILE 238 Cb -0.03 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1auj h ILE 238 CO -0.03 0.00 0.13 0.11 0.00 0.00 0.00 178.15 178.36 1auj h LYS 239 N -0.02 0.37 -0.51 2.37 1.57 -0.68 -0.82 116.57 118.86 1auj h LYS 239 Ca 0.03 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1auj h LYS 239 Cb 0.06 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 1auj h LYS 239 CO -0.06 0.35 0.28 0.37 -0.57 0.00 0.00 179.45 179.82 1auj h GLN 240 N 0.29 0.54 -0.37 3.15 -0.00 -0.91 -1.39 115.11 116.43 1auj h GLN 240 Ca 0.09 -0.03 -0.16 0.00 -0.00 0.00 0.00 58.65 58.55 1auj h GLN 240 Cb 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 27.48 27.45 1auj h GLN 240 CO -0.01 0.36 -0.40 1.15 0.00 0.00 0.00 178.83 179.93 1auj h THR 241 N 0.56 1.27 0.00 2.39 2.02 -0.62 -2.64 112.91 115.90 1auj h THR 241 Ca 0.21 -1.57 -0.04 0.00 0.77 0.00 0.00 66.41 65.78 1auj h THR 241 Cb 0.07 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1auj h THR 241 CO -0.12 0.52 -0.21 0.16 0.37 0.00 0.00 175.52 176.24 1auj h ILE 242 N 0.73 0.48 0.00 3.11 3.07 -0.95 -2.82 117.51 121.14 1auj h ILE 242 Ca 0.06 -1.14 -0.06 0.00 1.55 0.00 0.00 64.86 65.27 1auj h ILE 242 Cb 0.98 1.81 -0.01 0.00 -0.27 0.00 0.00 36.82 39.33 1auj h ILE 242 CO 0.10 0.21 -0.27 0.00 -1.05 0.00 0.00 178.15 177.13 1auj h ALA 243 N 1.79 1.06 0.00 0.16 0.00 -0.88 -3.21 119.26 118.18 1auj h ALA 243 Ca -0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1auj h ALA 243 Cb 0.79 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1auj h ALA 243 CO 0.03 0.34 -0.05 0.43 0.00 0.00 0.00 179.25 179.99 1auj n SER 244 N -3.50 2.11 0.00 0.00 7.64 -1.13 -5.10 113.62 113.64 1auj n SER 244 Ca -0.00 -2.98 0.00 0.00 1.01 0.00 0.00 58.87 56.90 1auj n SER 244 Cb 0.43 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1auj n SER 244 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62