#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a0j s VAL 17 N 0.00 4.60 -0.94 1.39 1.01 0.44 -3.99 120.40 122.91 1a0j s VAL 17 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 1a0j s VAL 17 Cb 0.00 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.29 1a0j s VAL 17 CO 0.00 0.42 0.15 0.61 0.00 0.00 0.00 175.10 176.29 1a0j n GLY 18 N 3.94 -0.06 0.00 4.51 0.00 -1.26 -1.83 105.19 110.50 1a0j n GLY 18 Ca -0.16 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1a0j n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a0j n GLY 19 N -1.09 3.74 3.07 -0.02 0.00 -1.26 -4.87 105.19 104.75 1a0j n GLY 19 Ca -0.10 -2.04 -0.08 0.00 0.00 0.00 0.00 46.02 43.80 1a0j n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1a0j s TYR 20 N 1.65 0.47 0.17 1.61 1.13 -0.00 -4.92 117.35 117.47 1a0j s TYR 20 Ca 0.00 -0.91 -0.31 0.00 -1.41 0.00 0.00 57.07 54.44 1a0j s TYR 20 Cb 0.00 -0.35 -0.09 0.00 -1.10 0.00 0.00 41.96 40.43 1a0j s TYR 20 CO 0.00 -0.32 1.37 -1.21 -2.51 0.00 0.00 175.55 172.89 1a0j s GLU 21 N -3.25 4.33 0.39 -3.49 2.02 -1.26 0.40 118.70 117.84 1a0j s GLU 21 Ca 0.01 2.11 -0.26 0.00 0.02 0.00 0.00 54.97 56.85 1a0j s GLU 21 Cb 0.03 -3.21 -0.09 0.00 0.10 0.00 0.00 34.13 30.97 1a0j s GLU 21 CO -0.07 -0.37 1.25 0.00 0.02 0.00 0.00 175.26 176.09 1a0j s ARG 23 N -2.16 2.97 0.29 0.00 1.81 -1.26 -4.90 118.95 115.69 1a0j s ARG 23 Ca 0.55 1.64 0.03 0.00 -1.72 0.00 0.00 55.73 56.23 1a0j s ARG 23 Cb -0.36 -1.95 0.70 0.00 -0.45 0.00 0.00 34.95 32.89 1a0j s ARG 23 CO 0.46 -1.16 1.69 0.87 -0.68 0.00 0.00 175.30 176.48 1a0j h LYS 24 N 0.65 0.35 0.00 3.54 6.56 -2.00 0.16 116.57 125.83 1a0j h LYS 24 Ca -0.49 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.08 1a0j h LYS 24 Cb 1.27 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 1a0j h LYS 24 CO 0.55 0.23 -0.22 0.27 -2.06 0.00 0.00 179.45 178.22 1a0j n ASN 25 N -5.08 0.70 -4.86 0.86 6.94 -1.26 -4.89 115.26 107.68 1a0j n ASN 25 Ca 0.21 0.39 -0.31 0.00 -0.02 0.00 0.00 54.58 54.85 1a0j n ASN 25 Cb 0.64 -0.42 -0.04 0.00 -2.36 0.00 0.00 39.78 37.60 1a0j n ASN 25 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1a0j s SER 26 N -4.25 6.61 -1.43 0.53 0.01 0.57 -4.33 113.70 111.41 1a0j s SER 26 Ca 0.09 1.31 -0.07 0.00 1.31 0.00 0.00 55.95 58.59 1a0j s SER 26 Cb 0.13 -2.40 0.04 0.00 0.21 0.00 0.00 66.02 64.01 1a0j s SER 26 CO 0.64 -0.42 0.85 0.00 0.41 0.00 0.00 173.24 174.72 1a0j n ALA 27 N -1.20 -1.62 1.52 1.44 0.00 -1.26 -4.78 120.51 114.61 1a0j n ALA 27 Ca 0.04 0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.65 1a0j n ALA 27 Cb 0.54 -3.33 0.76 0.00 0.00 0.00 0.00 19.45 17.42 1a0j n ALA 27 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1a0j n SER 28 N -2.94 0.00 -0.07 0.00 3.41 -1.26 -2.51 113.62 110.26 1a0j n SER 28 Ca -0.12 -0.47 0.15 0.00 -0.26 0.00 0.00 58.87 58.17 1a0j n SER 28 Cb 0.60 -0.15 0.70 0.00 -0.26 0.00 0.00 64.21 65.09 1a0j n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a0j n TYR 29 N -1.15 0.00 -2.41 7.33 0.18 -1.24 -1.61 117.16 118.26 1a0j n TYR 29 Ca 0.17 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.53 1a0j n TYR 29 Cb 0.16 -0.20 -0.03 0.00 -0.38 0.00 0.00 39.34 38.90 1a0j n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1a0j s GLN 30 N -2.45 4.40 0.20 -3.48 2.00 -1.04 -0.61 119.66 118.67 1a0j s GLN 30 Ca 0.31 1.77 0.09 0.00 -2.00 0.00 0.00 55.36 55.53 1a0j s GLN 30 Cb 0.20 -3.41 -0.04 0.00 0.80 0.00 0.00 33.01 30.56 1a0j s GLN 30 CO 0.46 -0.33 -0.10 0.00 -0.50 0.00 0.00 175.29 174.81 1a0j s ALA 31 N 1.43 2.92 0.09 1.58 0.00 -0.44 -4.41 121.76 122.92 1a0j s ALA 31 Ca 0.59 -1.53 0.08 0.00 0.00 0.00 0.00 51.96 51.10 1a0j s ALA 31 Cb -0.29 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.12 1a0j s ALA 31 CO 0.27 0.43 -0.16 -1.12 0.00 0.00 0.00 175.76 175.18 1a0j s SER 32 N -2.94 3.96 -0.06 0.00 0.01 -0.69 -0.97 113.70 113.00 1a0j s SER 32 Ca 0.25 -0.48 0.06 0.00 1.31 0.00 0.00 55.95 57.10 1a0j s SER 32 Cb -0.08 -0.63 -0.01 0.00 0.21 0.00 0.00 66.02 65.51 1a0j s SER 32 CO 0.15 0.21 -0.25 -0.76 0.41 0.00 0.00 173.24 173.00 1a0j s LEU 33 N -1.90 2.06 -0.94 2.44 1.43 -0.13 -1.18 118.68 120.47 1a0j s LEU 33 Ca 0.17 -0.51 -0.10 0.00 -1.03 0.00 0.00 54.13 52.66 1a0j s LEU 33 Cb -0.11 -1.36 0.24 0.00 0.03 0.00 0.00 46.19 45.00 1a0j s LEU 33 CO 0.09 0.24 0.89 -1.10 0.23 0.00 0.00 176.35 176.69 1a0j s GLN 34 N -0.13 3.75 -1.17 1.70 -0.21 0.59 -3.12 119.66 121.08 1a0j s GLN 34 Ca -0.04 -2.85 -0.17 0.00 0.02 0.00 0.00 55.36 52.32 1a0j s GLN 34 Cb -0.14 -4.39 0.12 0.00 1.00 0.00 0.00 33.01 29.60 1a0j s GLN 34 CO 0.04 -1.26 1.48 -1.12 -2.12 0.00 0.00 175.29 172.31 1a0j s SER 37 N 1.51 6.86 1.46 5.90 0.01 -0.42 -2.00 113.70 127.02 1a0j s SER 37 Ca 0.24 -2.49 0.00 0.00 1.31 0.00 0.00 55.95 55.01 1a0j s SER 37 Cb -0.10 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1a0j s SER 37 CO -0.08 -1.01 0.00 0.61 0.41 0.00 0.00 173.24 173.16 1a0j n GLY 38 N 5.05 1.90 0.35 3.44 0.00 -1.25 -0.97 105.19 113.71 1a0j n GLY 38 Ca 0.38 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.44 1a0j n GLY 38 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1a0j n TYR 39 N 2.95 0.00 -3.15 1.61 4.01 -1.26 -4.97 117.16 116.34 1a0j n TYR 39 Ca 0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.42 1a0j n TYR 39 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 38.97 1a0j n TYR 39 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1a0j s HIS 40 N -1.23 3.39 -0.09 -0.72 2.46 -0.14 -5.07 115.29 113.89 1a0j s HIS 40 Ca 0.11 1.15 0.02 0.00 0.47 0.00 0.00 55.06 56.82 1a0j s HIS 40 Cb 0.09 -2.49 -0.02 0.00 -0.13 0.00 0.00 32.58 30.03 1a0j s HIS 40 CO 0.22 0.10 -0.15 0.12 -2.47 0.00 0.00 174.74 172.55 1a0j s PHE 41 N -2.00 2.71 0.10 3.88 2.19 -1.26 -1.30 117.98 122.30 1a0j s PHE 41 Ca 0.53 -0.45 -0.07 0.00 0.33 0.00 0.00 56.93 57.27 1a0j s PHE 41 Cb -0.10 -1.72 -0.01 0.00 -1.31 0.00 0.00 43.02 39.88 1a0j s PHE 41 CO 0.19 -0.04 0.17 0.00 1.83 0.00 0.00 175.22 177.37 1a0j n GLY 43 N -0.07 0.28 3.74 0.00 0.00 -0.16 -0.96 105.19 108.02 1a0j n GLY 43 Ca -0.13 -1.96 -0.03 0.00 0.00 0.00 0.00 46.02 43.90 1a0j n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a0j n GLY 44 N -1.48 0.63 3.03 -0.02 0.00 -0.15 -3.83 105.19 103.38 1a0j n GLY 44 Ca 0.14 -1.15 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 1a0j n GLY 44 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a0j s SER 45 N -3.36 -0.06 -0.18 1.61 1.04 -0.38 -1.33 113.70 111.05 1a0j s SER 45 Ca 0.22 0.06 -0.26 0.00 0.48 0.00 0.00 55.95 56.44 1a0j s SER 45 Cb -0.03 0.23 -0.01 0.00 0.10 0.00 0.00 66.02 66.32 1a0j s SER 45 CO 0.06 -0.16 0.89 -0.22 0.98 0.00 0.00 173.24 174.78 1a0j s LEU 46 N -0.49 4.16 0.00 2.42 2.96 0.22 -0.94 118.68 127.00 1a0j s LEU 46 Ca -0.06 1.25 0.12 0.00 -0.22 0.00 0.00 54.13 55.22 1a0j s LEU 46 Cb -0.04 -3.33 -0.11 0.00 0.50 0.00 0.00 46.19 43.21 1a0j s LEU 46 CO 0.00 -0.46 0.51 2.30 -1.32 0.00 0.00 176.35 177.39 1a0j n ILE 47 N 4.86 0.00 -3.82 6.68 -5.35 -0.52 -1.12 119.36 120.08 1a0j n ILE 47 Ca 0.06 -0.24 -0.06 0.00 -0.27 0.00 0.00 62.75 62.25 1a0j n ILE 47 Cb 0.48 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.40 1a0j n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1a0j s SER 48 N -2.04 -0.11 0.57 7.28 1.04 -1.18 -4.65 113.70 114.61 1a0j s SER 48 Ca 0.05 -0.71 0.34 0.00 0.48 0.00 0.00 55.95 56.11 1a0j s SER 48 Cb 0.09 0.65 1.70 0.00 0.10 0.00 0.00 66.02 68.56 1a0j s SER 48 CO 0.46 -1.25 2.13 0.77 0.98 0.00 0.00 173.24 176.33 1a0j h SER 49 N 2.00 0.00 -0.00 7.02 4.64 -1.96 -2.94 113.55 122.31 1a0j h SER 49 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1a0j h SER 49 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1a0j h SER 49 CO 0.31 0.05 -0.10 0.35 -0.87 0.00 0.00 176.83 176.57 1a0j n THR 50 N -3.32 0.00 -5.00 2.95 -2.24 -1.26 -0.62 114.28 104.78 1a0j n THR 50 Ca -0.01 -0.45 -0.27 0.00 -2.27 0.00 0.00 64.05 61.05 1a0j n THR 50 Cb 0.21 1.06 -0.16 0.00 -2.10 0.00 0.00 70.33 69.35 1a0j n THR 50 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1a0j s TRP 51 N -0.91 1.85 -0.05 4.78 0.52 -1.11 -0.57 118.94 123.44 1a0j s TRP 51 Ca 0.04 -0.35 0.06 0.00 0.02 0.00 0.00 56.10 55.87 1a0j s TRP 51 Cb 0.04 -1.19 -0.01 0.00 -1.15 0.00 0.00 33.47 31.16 1a0j s TRP 51 CO 0.13 -0.03 -0.24 0.08 0.02 0.00 0.00 176.95 176.91 1a0j s VAL 52 N -0.49 1.99 -0.01 4.03 1.01 -0.06 -1.44 120.40 125.43 1a0j s VAL 52 Ca 0.08 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 61.03 1a0j s VAL 52 Cb -0.08 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1a0j s VAL 52 CO -0.01 0.55 0.01 0.54 0.00 0.00 0.00 175.10 176.20 1a0j s VAL 53 N -0.19 4.26 0.00 2.92 0.11 -0.12 -0.90 120.40 126.48 1a0j s VAL 53 Ca -0.02 -0.54 0.00 0.00 -2.93 0.00 0.00 61.98 58.49 1a0j s VAL 53 Cb -0.13 -2.90 0.00 0.00 -1.53 0.00 0.00 36.38 31.82 1a0j s VAL 53 CO 0.03 0.39 0.00 -0.24 -3.33 0.00 0.00 175.10 171.96 1a0j n SER 54 N 1.43 0.00 -4.83 3.54 2.88 -0.18 -1.25 113.62 115.22 1a0j n SER 54 Ca -0.15 -0.54 -0.37 0.00 -1.33 0.00 0.00 58.87 56.48 1a0j n SER 54 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 1a0j n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a0j s ALA 55 N -1.72 3.78 0.56 -1.46 0.00 -1.26 -0.95 121.76 120.71 1a0j s ALA 55 Ca 0.00 -0.53 0.32 0.00 0.00 0.00 0.00 51.96 51.74 1a0j s ALA 55 Cb 0.00 -2.13 1.84 0.00 0.00 0.00 0.00 23.12 22.83 1a0j s ALA 55 CO 0.00 0.47 2.24 0.00 0.00 0.00 0.00 175.76 178.47 1a0j h ALA 56 N 5.32 1.39 0.00 0.00 0.00 -1.68 -1.35 119.26 122.94 1a0j h ALA 56 Ca -0.51 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1a0j h ALA 56 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1a0j h ALA 56 CO 0.63 0.03 0.00 -2.39 0.00 0.00 0.00 179.25 177.52 1a0j n HIS 57 N -3.68 0.00 -0.01 0.00 1.44 -1.26 -1.72 115.22 109.98 1a0j n HIS 57 Ca -0.03 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.78 1a0j n HIS 57 Cb 0.11 -0.36 0.28 0.00 0.12 0.00 0.00 29.99 30.14 1a0j n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1a0j n TYR 59 N 1.23 2.67 -3.74 0.00 9.36 -0.70 -4.83 117.16 121.14 1a0j n TYR 59 Ca 0.21 0.44 -0.13 0.00 3.32 0.00 0.00 57.90 61.74 1a0j n TYR 59 Cb 0.56 -2.46 -0.08 0.00 -0.63 0.00 0.00 39.34 36.74 1a0j n TYR 59 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1a0j s LYS 60 N -2.41 0.73 0.52 2.98 2.47 -1.26 -5.05 119.74 117.72 1a0j s LYS 60 Ca 0.61 -0.23 0.33 0.00 -1.56 0.00 0.00 55.97 55.11 1a0j s LYS 60 Cb -0.46 0.32 1.34 0.00 -1.46 0.00 0.00 37.83 37.58 1a0j s LYS 60 CO 0.58 -0.21 1.96 0.66 0.16 0.00 0.00 175.35 178.50 1a0j h SER 61 N 3.66 0.00 -3.25 1.43 4.64 -1.98 -3.40 113.55 114.65 1a0j h SER 61 Ca -0.30 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.53 1a0j h SER 61 Cb 1.18 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.90 1a0j h SER 61 CO 0.41 0.00 -0.79 -0.13 -0.87 0.00 0.00 176.83 175.45 1a0j s ARG 62 N -3.64 1.21 -0.02 4.77 0.52 -1.26 -4.74 118.95 115.79 1a0j s ARG 62 Ca 0.01 -0.15 0.05 0.00 -0.52 0.00 0.00 55.73 55.12 1a0j s ARG 62 Cb 0.09 -1.32 -0.01 0.00 0.52 0.00 0.00 34.95 34.23 1a0j s ARG 62 CO 0.53 -0.23 -0.17 0.42 0.02 0.00 0.00 175.30 175.87 1a0j s ILE 63 N 1.59 1.32 -0.23 1.52 1.01 -1.26 -3.94 121.20 121.21 1a0j s ILE 63 Ca 0.01 -0.71 -0.09 0.00 0.00 0.00 0.00 60.65 59.87 1a0j s ILE 63 Cb -0.13 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 1a0j s ILE 63 CO -0.05 0.37 0.11 -1.58 0.00 0.00 0.00 174.94 173.79 1a0j s GLN 64 N -0.33 3.92 -0.10 2.79 0.74 -0.85 -0.78 119.66 125.06 1a0j s GLN 64 Ca 0.05 -0.35 -0.13 0.00 0.05 0.00 0.00 55.36 54.98 1a0j s GLN 64 Cb -0.07 -3.39 -0.05 0.00 1.10 0.00 0.00 33.01 30.60 1a0j s GLN 64 CO -0.00 0.05 0.31 0.08 -0.55 0.00 0.00 175.29 175.17 1a0j s VAL 65 N 1.04 5.25 -0.11 1.34 1.01 0.15 -0.30 120.40 128.78 1a0j s VAL 65 Ca 0.06 0.59 0.01 0.00 0.00 0.00 0.00 61.98 62.64 1a0j s VAL 65 Cb -0.14 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 1a0j s VAL 65 CO 0.04 0.50 -0.15 -0.13 0.00 0.00 0.00 175.10 175.36 1a0j s ARG 66 N -0.37 3.17 0.16 2.72 0.52 -0.32 -0.68 118.95 124.14 1a0j s ARG 66 Ca 0.19 -0.71 0.04 0.00 -0.52 0.00 0.00 55.73 54.72 1a0j s ARG 66 Cb -0.14 -2.54 -0.05 0.00 0.52 0.00 0.00 34.95 32.75 1a0j s ARG 66 CO 0.07 0.29 -0.08 -0.51 0.02 0.00 0.00 175.30 175.10 1a0j s LEU 67 N 0.14 2.46 -0.66 2.53 1.43 0.59 -1.70 118.68 123.46 1a0j s LEU 67 Ca -0.07 -1.05 0.00 0.00 -1.03 0.00 0.00 54.13 51.97 1a0j s LEU 67 Cb -0.15 -0.30 0.00 0.00 0.03 0.00 0.00 46.19 45.77 1a0j s LEU 67 CO 0.05 -0.38 0.00 0.61 0.23 0.00 0.00 176.35 176.86 1a0j n GLY 69 N -0.22 0.42 3.39 -3.19 0.00 -1.26 -0.97 105.19 103.35 1a0j n GLY 69 Ca -0.09 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 1a0j n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a0j s GLU 70 N -3.65 2.29 0.00 1.61 2.12 -1.26 -3.78 118.70 116.03 1a0j s GLU 70 Ca 0.00 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 54.51 1a0j s GLU 70 Cb 0.00 -2.20 0.00 0.00 0.26 0.00 0.00 34.13 32.19 1a0j s GLU 70 CO 0.00 0.59 0.00 0.72 -0.54 0.00 0.00 175.26 176.03 1a0j n HIS 71 N 2.37 0.00 -3.72 5.30 8.25 -1.26 -4.94 115.22 121.22 1a0j n HIS 71 Ca -0.17 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 56.91 1a0j n HIS 71 Cb 0.52 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.51 1a0j n HIS 71 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1a0j s ASN 72 N -3.58 5.40 0.08 0.41 3.84 -1.26 -1.35 114.94 118.48 1a0j s ASN 72 Ca 0.00 -1.21 0.25 0.00 0.21 0.00 0.00 52.86 52.11 1a0j s ASN 72 Cb 0.00 -1.90 1.00 0.00 -0.55 0.00 0.00 41.25 39.80 1a0j s ASN 72 CO 0.00 -0.37 1.78 2.30 -2.79 0.00 0.00 177.10 178.03 1a0j n ILE 73 N 4.83 0.41 0.08 -5.21 -5.35 -0.36 -3.49 119.36 110.28 1a0j n ILE 73 Ca -0.12 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.31 1a0j n ILE 73 Cb 0.44 -0.68 -0.06 0.00 -1.74 0.00 0.00 39.64 37.61 1a0j n ILE 73 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1a0j h ALA 74 N 2.72 0.48 -1.97 -1.28 0.00 -1.94 -3.48 119.26 113.80 1a0j h ALA 74 Ca 0.00 -0.81 -0.50 0.00 0.00 0.00 0.00 54.91 53.59 1a0j h ALA 74 Cb 0.50 -0.14 -0.14 0.00 0.00 0.00 0.00 17.79 18.01 1a0j h ALA 74 CO 0.00 1.12 -0.61 0.14 0.00 0.00 0.00 179.25 179.90 1a0j s VAL 75 N -2.89 1.38 0.07 0.00 -7.23 -1.23 -5.13 120.40 105.37 1a0j s VAL 75 Ca 0.01 -2.01 -0.27 0.00 -1.81 0.00 0.00 61.98 57.89 1a0j s VAL 75 Cb 0.10 -2.80 -0.06 0.00 0.56 0.00 0.00 36.38 34.19 1a0j s VAL 75 CO 0.80 -0.03 0.86 0.21 -0.31 0.00 0.00 175.10 176.63 1a0j s ASN 76 N -3.52 7.35 0.00 4.85 2.47 -1.26 -4.83 114.94 120.00 1a0j s ASN 76 Ca 0.36 1.61 0.00 0.00 0.42 0.00 0.00 52.86 55.25 1a0j s ASN 76 Cb 0.09 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.36 1a0j s ASN 76 CO 0.16 -0.03 0.41 -0.62 -3.72 0.00 0.00 177.10 173.29 1a0j n GLU 77 N 2.83 -0.50 0.00 0.43 1.02 -1.26 -5.02 120.64 118.14 1a0j n GLU 77 Ca -0.00 -0.41 0.00 0.00 -0.02 0.00 0.00 57.16 56.73 1a0j n GLU 77 Cb 0.50 -0.90 0.00 0.00 -0.02 0.00 0.00 31.44 31.01 1a0j n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a0j n GLY 78 N 0.05 3.00 0.16 0.62 0.00 -1.26 -4.83 105.19 102.93 1a0j n GLY 78 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1a0j n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a0j n THR 79 N -2.00 0.00 -2.13 2.61 -2.24 -1.26 -4.97 114.28 104.28 1a0j n THR 79 Ca 0.00 -0.08 -0.37 0.00 -2.27 0.00 0.00 64.05 61.32 1a0j n THR 79 Cb 0.00 0.26 0.01 0.00 -2.10 0.00 0.00 70.33 68.49 1a0j n THR 79 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1a0j s GLU 80 N -2.62 3.54 -0.06 -0.78 8.01 -1.25 -4.43 118.70 121.11 1a0j s GLU 80 Ca 0.22 1.87 -0.01 0.00 0.01 0.00 0.00 54.97 57.07 1a0j s GLU 80 Cb 0.19 -2.32 0.03 0.00 -4.31 0.00 0.00 34.13 27.72 1a0j s GLU 80 CO 0.55 -0.76 -0.02 -0.65 0.01 0.00 0.00 175.26 174.40 1a0j s GLN 81 N -2.82 0.70 -0.24 1.61 -0.21 -0.15 -4.96 119.66 113.59 1a0j s GLN 81 Ca 0.67 0.03 -0.04 0.00 0.02 0.00 0.00 55.36 56.04 1a0j s GLN 81 Cb -0.31 -0.94 0.00 0.00 1.00 0.00 0.00 33.01 32.77 1a0j s GLN 81 CO 0.37 -0.23 -0.03 -0.06 -2.12 0.00 0.00 175.29 173.22 1a0j s PHE 82 N 1.60 3.01 -0.04 0.91 0.40 -1.26 -0.30 117.98 122.31 1a0j s PHE 82 Ca -0.00 -1.08 0.02 0.00 -0.60 0.00 0.00 56.93 55.26 1a0j s PHE 82 Cb -0.13 -2.12 0.01 0.00 0.51 0.00 0.00 43.02 41.30 1a0j s PHE 82 CO -0.04 -0.59 -0.06 0.42 0.70 0.00 0.00 175.22 175.64 1a0j s ILE 83 N 1.45 0.65 0.44 0.64 1.01 0.15 -4.97 121.20 120.56 1a0j s ILE 83 Ca 0.04 -0.23 -0.16 0.00 0.00 0.00 0.00 60.65 60.30 1a0j s ILE 83 Cb -0.15 -0.63 -0.09 0.00 0.01 0.00 0.00 42.46 41.61 1a0j s ILE 83 CO -0.03 0.23 0.89 -1.81 0.00 0.00 0.00 174.94 174.23 1a0j s ASP 84 N 0.61 6.71 0.63 3.58 1.01 -1.26 -0.68 116.67 127.27 1a0j s ASP 84 Ca -0.09 1.46 -0.14 0.00 0.71 0.00 0.00 52.55 54.49 1a0j s ASP 84 Cb -0.12 -2.46 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 1a0j s ASP 84 CO 0.01 -0.42 1.06 -0.94 0.21 0.00 0.00 175.17 175.08 1a0j s SER 85 N -2.72 5.60 -0.01 0.27 1.04 0.04 -0.92 113.70 117.00 1a0j s SER 85 Ca 0.57 1.76 0.02 0.00 0.48 0.00 0.00 55.95 58.78 1a0j s SER 85 Cb -0.10 -2.52 -0.03 0.00 0.10 0.00 0.00 66.02 63.48 1a0j s SER 85 CO 0.24 -1.29 0.02 0.55 0.98 0.00 0.00 173.24 173.73 1a0j n VAL 86 N -2.43 0.10 -4.00 5.02 3.14 0.58 -4.58 118.33 116.16 1a0j n VAL 86 Ca 0.08 -0.07 -0.14 0.00 -2.96 0.00 0.00 64.34 61.25 1a0j n VAL 86 Cb 0.53 -0.61 -0.14 0.00 -1.06 0.00 0.00 33.84 32.56 1a0j n VAL 86 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1a0j s LYS 87 N -2.07 0.21 -0.13 1.45 1.02 -1.20 -5.01 119.74 114.02 1a0j s LYS 87 Ca -0.01 -0.07 0.01 0.00 0.02 0.00 0.00 55.97 55.92 1a0j s LYS 87 Cb 0.01 -0.23 0.02 0.00 -0.52 0.00 0.00 37.83 37.11 1a0j s LYS 87 CO 0.08 0.03 -0.13 0.08 -0.92 0.00 0.00 175.35 174.49 1a0j s VAL 88 N 0.07 1.45 -0.30 3.17 1.01 -1.26 -1.33 120.40 123.21 1a0j s VAL 88 Ca -0.00 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.42 1a0j s VAL 88 Cb -0.03 -1.37 0.09 0.00 0.00 0.00 0.00 36.38 35.08 1a0j s VAL 88 CO -0.00 0.44 0.03 -0.63 0.00 0.00 0.00 175.10 174.93 1a0j s ILE 89 N 1.39 1.66 0.53 2.22 1.01 0.62 -4.99 121.20 123.63 1a0j s ILE 89 Ca 0.02 -1.72 -0.19 0.00 0.00 0.00 0.00 60.65 58.76 1a0j s ILE 89 Cb -0.13 -2.12 -0.06 0.00 0.01 0.00 0.00 42.46 40.15 1a0j s ILE 89 CO -0.08 -0.45 1.07 -0.04 0.00 0.00 0.00 174.94 175.44 1a0j s MET 90 N 1.26 3.55 0.33 2.79 -1.94 -1.26 -0.96 119.30 123.06 1a0j s MET 90 Ca 0.05 1.38 -0.29 0.00 -1.71 0.00 0.00 55.69 55.12 1a0j s MET 90 Cb -0.19 -2.06 -0.12 0.00 2.01 0.00 0.00 34.83 34.48 1a0j s MET 90 CO -0.12 -0.64 1.37 1.58 -0.01 0.00 0.00 175.02 177.19 1a0j n HIS 91 N -1.34 2.44 -0.27 -0.03 -0.00 -0.50 -4.88 115.22 110.64 1a0j n HIS 91 Ca 0.10 0.49 0.17 0.00 0.46 0.00 0.00 57.72 58.94 1a0j n HIS 91 Cb 0.52 -2.46 0.46 0.00 -0.12 0.00 0.00 29.99 28.39 1a0j n HIS 91 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1a0j h PRO 92 N 3.04 0.49 -0.56 1.57 0.11 -1.93 -2.29 132.00 132.44 1a0j h PRO 92 Ca -0.47 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.47 1a0j h PRO 92 Cb 1.27 -0.11 -0.09 0.00 0.11 0.00 0.00 31.00 32.18 1a0j h PRO 92 CO 0.66 0.33 0.14 0.43 -0.21 0.00 0.00 178.00 179.35 1a0j n SER 93 N -4.56 4.34 -4.66 -2.05 7.64 -1.26 -5.00 113.62 108.06 1a0j n SER 93 Ca 0.20 -3.24 -0.46 0.00 1.01 0.00 0.00 58.87 56.38 1a0j n SER 93 Cb 0.65 -0.68 -0.04 0.00 -1.01 0.00 0.00 64.21 63.13 1a0j n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a0j n TYR 94 N -0.34 2.18 -4.00 1.43 9.36 -0.87 -4.65 117.16 120.27 1a0j n TYR 94 Ca 0.34 0.36 -0.31 0.00 3.32 0.00 0.00 57.90 61.62 1a0j n TYR 94 Cb 1.21 -2.49 -0.15 0.00 -0.63 0.00 0.00 39.34 37.27 1a0j n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1a0j s ASN 95 N 0.60 3.95 0.29 2.98 3.84 -0.45 -5.00 114.94 121.16 1a0j s ASN 95 Ca 0.74 -1.18 0.25 0.00 0.21 0.00 0.00 52.86 52.88 1a0j s ASN 95 Cb -0.68 -1.34 1.02 0.00 -0.55 0.00 0.00 41.25 39.70 1a0j s ASN 95 CO 0.44 -0.19 1.75 0.77 -2.79 0.00 0.00 177.10 177.07 1a0j h SER 96 N 7.89 0.00 -0.28 -4.21 4.64 -1.93 0.26 113.55 119.92 1a0j h SER 96 Ca -0.21 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.05 1a0j h SER 96 Cb 1.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 1a0j h SER 96 CO 0.45 0.00 -0.03 -0.09 -0.87 0.00 0.00 176.83 176.29 1a0j h ARG 97 N 0.00 0.52 0.00 4.77 2.43 -1.97 -3.36 114.38 116.77 1a0j h ARG 97 Ca 0.00 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1a0j h ARG 97 Cb 0.41 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1a0j h ARG 97 CO 0.00 0.70 0.00 0.27 -1.51 0.00 0.00 179.97 179.43 1a0j n ASN 98 N -4.55 1.24 -2.63 -3.80 6.94 -1.18 -5.00 115.26 106.29 1a0j n ASN 98 Ca -0.03 -1.53 -0.22 0.00 -0.02 0.00 0.00 54.58 52.79 1a0j n ASN 98 Cb 0.28 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.71 1a0j n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1a0j n LEU 99 N -0.26 -2.24 -4.74 -4.53 4.77 0.90 -4.98 117.00 105.91 1a0j n LEU 99 Ca 0.00 -0.12 -0.41 0.00 -0.03 0.00 0.00 56.01 55.45 1a0j n LEU 99 Cb 0.25 -2.97 -0.03 0.00 -2.33 0.00 0.00 43.42 38.34 1a0j n LEU 99 CO 0.00 -0.05 0.88 -0.62 -1.33 0.00 0.00 177.39 176.27 1a0j s ASP 100 N -2.30 7.08 -1.11 -1.43 2.15 -1.17 -3.18 116.67 116.71 1a0j s ASP 100 Ca 0.12 2.29 -0.03 0.00 0.43 0.00 0.00 52.55 55.35 1a0j s ASP 100 Cb -0.05 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 1a0j s ASP 100 CO 0.14 -0.35 0.95 0.59 -0.17 0.00 0.00 175.17 176.33 1a0j n ASN 101 N 2.14 -3.53 -4.12 -0.34 3.02 -1.26 -1.34 115.26 109.83 1a0j n ASN 101 Ca 0.03 -0.52 -0.43 0.00 -0.03 0.00 0.00 54.58 53.64 1a0j n ASN 101 Cb 0.44 -4.55 0.00 0.00 -0.61 0.00 0.00 39.78 35.06 1a0j n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1a0j n ASP 102 N -2.72 4.57 -3.80 6.41 2.03 -1.19 -4.21 116.55 117.64 1a0j n ASP 102 Ca -0.15 -2.93 -0.13 0.00 0.52 0.00 0.00 54.79 52.11 1a0j n ASP 102 Cb 0.61 -1.65 -0.10 0.00 -0.72 0.00 0.00 41.12 39.26 1a0j n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1a0j s ILE 103 N 2.90 0.04 -0.00 5.18 2.07 -1.26 -3.89 121.20 126.24 1a0j s ILE 103 Ca 0.48 -0.34 -0.15 0.00 -1.41 0.00 0.00 60.65 59.23 1a0j s ILE 103 Cb 0.08 -0.47 0.02 0.00 0.13 0.00 0.00 42.46 42.22 1a0j s ILE 103 CO -0.01 -0.18 0.32 0.00 -1.91 0.00 0.00 174.94 173.16 1a0j s MET 104 N -0.74 0.71 -0.07 3.50 0.23 -0.12 -1.42 119.30 121.40 1a0j s MET 104 Ca -0.08 -0.26 0.03 0.00 -1.03 0.00 0.00 55.69 54.35 1a0j s MET 104 Cb -0.04 0.32 -0.02 0.00 -1.53 0.00 0.00 34.83 33.55 1a0j s MET 104 CO 0.02 -0.21 -0.14 -0.51 -2.03 0.00 0.00 175.02 172.15 1a0j s LEU 105 N -1.50 2.73 -0.15 0.18 1.43 -0.14 -1.01 118.68 120.22 1a0j s LEU 105 Ca -0.11 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1a0j s LEU 105 Cb -0.04 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.63 1a0j s LEU 105 CO 0.03 0.31 -0.21 -0.63 0.23 0.00 0.00 176.35 176.07 1a0j s ILE 106 N -0.50 2.04 -0.17 -0.59 1.01 -0.07 -0.28 121.20 122.64 1a0j s ILE 106 Ca 0.07 -0.96 -0.13 0.00 0.00 0.00 0.00 60.65 59.62 1a0j s ILE 106 Cb -0.12 -1.81 -0.05 0.00 0.01 0.00 0.00 42.46 40.49 1a0j s ILE 106 CO 0.02 0.54 0.28 -0.75 0.00 0.00 0.00 174.94 175.03 1a0j s LYS 107 N 0.94 4.24 0.31 2.79 2.20 -0.44 -0.88 119.74 128.90 1a0j s LYS 107 Ca -0.04 0.06 -0.24 0.00 -0.36 0.00 0.00 55.97 55.38 1a0j s LYS 107 Cb -0.15 -3.44 -0.10 0.00 -1.51 0.00 0.00 37.83 32.64 1a0j s LYS 107 CO -0.05 0.22 0.90 -0.51 -0.36 0.00 0.00 175.35 175.55 1a0j s LEU 108 N 0.54 4.31 0.49 5.43 1.43 0.26 -0.31 118.68 130.84 1a0j s LEU 108 Ca 0.15 1.74 0.27 0.00 -1.03 0.00 0.00 54.13 55.26 1a0j s LEU 108 Cb -0.13 -3.96 1.20 0.00 0.03 0.00 0.00 46.19 43.32 1a0j s LEU 108 CO 0.03 -0.07 1.94 0.77 0.23 0.00 0.00 176.35 179.26 1a0j h SER 109 N 3.13 0.00 -4.56 2.29 4.64 -1.28 -3.43 113.55 114.34 1a0j h SER 109 Ca -0.47 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.66 1a0j h SER 109 Cb 1.19 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.05 1a0j h SER 109 CO 0.65 0.16 -0.68 -1.59 -0.87 0.00 0.00 176.83 174.50 1a0j s LYS 110 N -3.84 0.23 0.47 4.77 -2.85 -1.26 -5.02 119.74 112.24 1a0j s LYS 110 Ca -0.01 -0.37 -0.24 0.00 -1.00 0.00 0.00 55.97 54.35 1a0j s LYS 110 Cb 0.11 0.09 -0.07 0.00 -2.06 0.00 0.00 37.83 35.90 1a0j s LYS 110 CO 0.60 -0.04 1.29 -1.25 0.10 0.00 0.00 175.35 176.05 1a0j s PRO 111 N -0.96 3.62 0.48 1.78 0.04 -1.26 -4.88 135.00 133.82 1a0j s PRO 111 Ca -0.11 2.08 -0.21 0.00 0.04 0.00 0.00 61.00 62.81 1a0j s PRO 111 Cb -0.06 -2.48 -0.07 0.00 0.04 0.00 0.00 34.50 31.92 1a0j s PRO 111 CO -0.00 -0.76 1.10 0.00 0.04 0.00 0.00 177.00 177.38 1a0j s ALA 112 N -1.36 2.88 -0.44 8.56 0.00 0.21 -5.00 121.76 126.61 1a0j s ALA 112 Ca 0.64 0.78 -0.22 0.00 0.00 0.00 0.00 51.96 53.16 1a0j s ALA 112 Cb -0.36 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.45 1a0j s ALA 112 CO 0.45 -0.54 0.74 -1.12 0.00 0.00 0.00 175.76 175.30 1a0j s SER 113 N -1.68 6.40 0.27 0.00 0.01 -1.26 -4.85 113.70 112.59 1a0j s SER 113 Ca 0.67 -0.12 -0.29 0.00 1.31 0.00 0.00 55.95 57.51 1a0j s SER 113 Cb -0.23 -2.37 -0.09 0.00 0.21 0.00 0.00 66.02 63.54 1a0j s SER 113 CO 0.27 -0.86 1.00 -0.76 0.41 0.00 0.00 173.24 173.30 1a0j s LEU 114 N 3.14 4.56 0.00 2.44 1.43 -1.26 -4.76 118.68 124.23 1a0j s LEU 114 Ca 0.28 2.04 0.00 0.00 -1.03 0.00 0.00 54.13 55.42 1a0j s LEU 114 Cb -0.13 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.41 1a0j s LEU 114 CO 0.21 0.01 0.00 -0.46 0.23 0.00 0.00 176.35 176.34 1a0j n ASN 115 N 1.22 0.00 0.09 2.29 0.23 -0.67 -4.98 115.26 113.45 1a0j n ASN 115 Ca -0.01 0.00 -0.06 0.00 -0.53 0.00 0.00 54.58 53.98 1a0j n ASN 115 Cb 0.47 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 38.20 1a0j n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1a0j h SER 116 N 0.00 0.14 0.37 0.53 4.64 -2.00 -3.24 113.55 113.99 1a0j h SER 116 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1a0j h SER 116 Cb 0.00 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1a0j h SER 116 CO 0.00 0.88 -0.72 -1.22 -0.87 0.00 0.00 176.83 174.90 1a0j n TYR 117 N -3.67 0.06 -3.78 4.77 4.01 -1.26 -4.74 117.16 112.56 1a0j n TYR 117 Ca -0.02 0.02 -0.28 0.00 -0.16 0.00 0.00 57.90 57.45 1a0j n TYR 117 Cb 0.76 -0.23 -0.16 0.00 -0.31 0.00 0.00 39.34 39.39 1a0j n TYR 117 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1a0j s VAL 118 N -3.04 0.73 0.25 -0.72 1.01 -1.22 -4.14 120.40 113.27 1a0j s VAL 118 Ca 0.09 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1a0j s VAL 118 Cb 0.16 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 1a0j s VAL 118 CO 0.76 -0.19 0.11 -0.94 0.00 0.00 0.00 175.10 174.84 1a0j s SER 119 N 1.76 1.04 0.25 3.32 1.04 -0.63 -1.67 113.70 118.80 1a0j s SER 119 Ca -0.02 -1.40 0.06 0.00 0.48 0.00 0.00 55.95 55.07 1a0j s SER 119 Cb -0.17 0.21 -0.03 0.00 0.10 0.00 0.00 66.02 66.13 1a0j s SER 119 CO -0.08 -0.76 0.31 0.42 0.98 0.00 0.00 173.24 174.12 1a0j s THR 120 N -3.81 4.93 0.08 2.02 -4.23 -1.26 -3.62 115.64 109.75 1a0j s THR 120 Ca 0.38 -1.13 0.08 0.00 -1.18 0.00 0.00 61.69 59.84 1a0j s THR 120 Cb 0.08 -3.69 -0.04 0.00 1.34 0.00 0.00 72.50 70.19 1a0j s THR 120 CO 0.14 -0.33 -0.18 0.54 -0.54 0.00 0.00 174.62 174.25 1a0j s VAL 121 N -2.04 2.83 0.40 2.29 0.11 -0.28 -4.83 120.40 118.89 1a0j s VAL 121 Ca 0.34 -1.37 -0.19 0.00 -2.93 0.00 0.00 61.98 57.83 1a0j s VAL 121 Cb -0.09 -2.26 -0.10 0.00 -1.53 0.00 0.00 36.38 32.41 1a0j s VAL 121 CO 0.28 0.20 0.89 0.00 -3.33 0.00 0.00 175.10 173.13 1a0j s ALA 122 N -1.05 3.12 0.54 1.54 0.00 -1.19 -4.55 121.76 120.17 1a0j s ALA 122 Ca 0.17 0.29 -0.17 0.00 0.00 0.00 0.00 51.96 52.24 1a0j s ALA 122 Cb -0.11 -3.03 -0.06 0.00 0.00 0.00 0.00 23.12 19.92 1a0j s ALA 122 CO 0.08 0.19 1.03 -0.51 0.00 0.00 0.00 175.76 176.54 1a0j s LEU 123 N -3.13 3.64 0.36 0.00 1.43 -1.26 0.01 118.68 119.72 1a0j s LEU 123 Ca 0.60 1.76 -0.27 0.00 -1.03 0.00 0.00 54.13 55.19 1a0j s LEU 123 Cb -0.09 -4.53 -0.09 0.00 0.03 0.00 0.00 46.19 41.50 1a0j s LEU 123 CO 0.15 -0.87 1.25 -2.16 0.23 0.00 0.00 176.35 174.94 1a0j s PRO 124 N -3.84 4.25 0.06 1.29 0.04 -1.25 -4.65 135.00 130.90 1a0j s PRO 124 Ca 0.63 2.06 0.16 0.00 0.04 0.00 0.00 61.00 63.89 1a0j s PRO 124 Cb -0.14 -2.93 -0.14 0.00 0.04 0.00 0.00 34.50 31.33 1a0j s PRO 124 CO 0.30 -0.22 0.86 0.77 0.04 0.00 0.00 177.00 178.75 1a0j h SER 125 N 3.13 0.00 -5.13 6.66 0.02 -1.94 -3.48 113.55 112.80 1a0j h SER 125 Ca -0.49 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.44 1a0j h SER 125 Cb 1.23 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.71 1a0j h SER 125 CO 0.64 0.66 0.08 -0.94 -1.14 0.00 0.00 176.83 176.14 1a0j s SER 127 N -5.92 -0.04 0.16 3.07 1.04 -1.26 -5.14 113.70 105.61 1a0j s SER 127 Ca -0.03 -0.90 -0.30 0.00 0.48 0.00 0.00 55.95 55.20 1a0j s SER 127 Cb 0.08 0.70 -0.07 0.00 0.10 0.00 0.00 66.02 66.83 1a0j s SER 127 CO 0.81 -1.34 0.95 0.00 0.98 0.00 0.00 173.24 174.64 1a0j s ALA 129 N -0.48 2.91 0.36 0.00 0.00 -1.26 -5.08 121.76 118.20 1a0j s ALA 129 Ca 0.44 0.56 0.07 0.00 0.00 0.00 0.00 51.96 53.04 1a0j s ALA 129 Cb -0.24 -3.23 -0.00 0.00 0.00 0.00 0.00 23.12 19.64 1a0j s ALA 129 CO 0.31 -0.22 0.49 -1.54 0.00 0.00 0.00 175.76 174.80 1a0j s SER 130 N -2.02 5.89 0.51 0.00 1.04 -1.26 -5.03 113.70 112.83 1a0j s SER 130 Ca 0.66 -0.25 -0.22 0.00 0.48 0.00 0.00 55.95 56.63 1a0j s SER 130 Cb -0.15 -1.09 -0.07 0.00 0.10 0.00 0.00 66.02 64.81 1a0j s SER 130 CO 0.18 -0.51 1.04 -1.54 0.98 0.00 0.00 173.24 173.39 1a0j n SER 132 N -1.69 1.28 0.00 7.02 3.41 -1.26 -1.81 113.62 120.57 1a0j n SER 132 Ca 0.02 0.93 0.00 0.00 -0.26 0.00 0.00 58.87 59.56 1a0j n SER 132 Cb 0.58 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 1a0j n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a0j n GLY 133 N 1.16 3.11 3.70 5.00 0.00 0.33 -4.94 105.19 113.56 1a0j n GLY 133 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1a0j n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1a0j n THR 134 N -1.33 0.16 -3.25 2.61 -1.04 -0.75 -4.60 114.28 106.09 1a0j n THR 134 Ca 0.00 -0.04 -0.39 0.00 -2.04 0.00 0.00 64.05 61.58 1a0j n THR 134 Cb 0.00 -1.82 -0.06 0.00 -1.82 0.00 0.00 70.33 66.63 1a0j n THR 134 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1a0j s ARG 135 N 0.83 4.24 0.26 -2.82 3.52 -1.26 -1.06 118.95 122.65 1a0j s ARG 135 Ca 0.75 0.78 0.02 0.00 -0.13 0.00 0.00 55.73 57.14 1a0j s ARG 135 Cb -0.56 -3.24 -0.03 0.00 -1.56 0.00 0.00 34.95 29.55 1a0j s ARG 135 CO 0.37 0.63 0.21 0.00 -0.81 0.00 0.00 175.30 175.70 1a0j s LEU 137 N -3.24 1.96 0.17 0.00 2.96 -0.27 -1.21 118.68 119.04 1a0j s LEU 137 Ca 0.39 -0.45 0.09 0.00 -0.22 0.00 0.00 54.13 53.93 1a0j s LEU 137 Cb 0.05 -1.19 -0.04 0.00 0.50 0.00 0.00 46.19 45.50 1a0j s LEU 137 CO 0.19 0.15 -0.11 0.54 -1.32 0.00 0.00 176.35 175.80 1a0j s VAL 138 N 0.22 3.14 0.01 1.68 0.11 -0.17 -1.29 120.40 124.10 1a0j s VAL 138 Ca -0.11 -1.65 -0.09 0.00 -2.93 0.00 0.00 61.98 57.20 1a0j s VAL 138 Cb -0.15 -2.54 0.01 0.00 -1.53 0.00 0.00 36.38 32.16 1a0j s VAL 138 CO 0.05 -0.09 0.18 -0.94 -3.33 0.00 0.00 175.10 170.98 1a0j s SER 139 N -2.75 -0.01 0.00 3.54 1.04 -1.24 -1.21 113.70 113.06 1a0j s SER 139 Ca 0.24 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1a0j s SER 139 Cb -0.09 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.27 1a0j s SER 139 CO 0.15 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.56 1a0j n GLY 140 N 1.27 -0.37 1.44 7.32 0.00 -0.45 -4.53 105.19 109.87 1a0j n GLY 140 Ca -0.22 -0.97 0.01 0.00 0.00 0.00 0.00 46.02 44.84 1a0j n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1a0j n TRP 141 N -0.14 1.64 -1.87 1.61 8.01 -1.26 -1.81 117.44 123.61 1a0j n TRP 141 Ca 0.00 -1.10 -0.29 0.00 -1.31 0.00 0.00 57.50 54.80 1a0j n TRP 141 Cb 0.00 -0.50 0.20 0.00 -2.01 0.00 0.00 31.31 29.00 1a0j n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1a0j n GLY 142 N -0.37 -1.55 3.71 6.99 0.00 -1.25 -4.31 105.19 108.39 1a0j n GLY 142 Ca 0.31 -1.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.20 1a0j n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1a0j n ASN 143 N -3.89 2.94 -0.08 1.61 2.85 -0.20 -1.84 115.26 116.65 1a0j n ASN 143 Ca 0.16 1.20 0.12 0.00 -0.11 0.00 0.00 54.58 55.95 1a0j n ASN 143 Cb 0.57 -1.50 0.27 0.00 1.24 0.00 0.00 39.78 40.36 1a0j n ASN 143 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1a0j n LEU 144 N 1.01 0.70 -4.01 1.20 4.77 0.15 -0.04 117.00 120.78 1a0j n LEU 144 Ca 0.05 -0.11 -0.11 0.00 -0.03 0.00 0.00 56.01 55.81 1a0j n LEU 144 Cb 0.36 -0.20 -0.12 0.00 -2.33 0.00 0.00 43.42 41.13 1a0j n LEU 144 CO 0.63 0.15 -0.38 -0.94 -1.33 0.00 0.00 177.39 175.52 1a0j s SER 145 N -2.84 0.50 0.00 -1.43 1.04 -1.26 -4.43 113.70 105.28 1a0j s SER 145 Ca 0.15 -0.46 0.23 0.00 0.48 0.00 0.00 55.95 56.35 1a0j s SER 145 Cb 0.18 0.06 0.50 0.00 0.10 0.00 0.00 66.02 66.86 1a0j s SER 145 CO 0.65 -0.22 1.43 0.61 0.98 0.00 0.00 173.24 176.69 1a0j n GLY 146 N 1.72 1.11 0.01 7.32 0.00 -1.26 -4.23 105.19 109.85 1a0j n GLY 146 Ca -0.22 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1a0j n GLY 146 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a0j n SER 147 N 1.09 1.00 -3.66 1.61 3.41 -1.26 -4.60 113.62 111.21 1a0j n SER 147 Ca 0.17 -1.52 -0.06 0.00 -0.26 0.00 0.00 58.87 57.21 1a0j n SER 147 Cb 0.52 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 1a0j n SER 147 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1a0j s SER 148 N -0.52 -0.28 -0.44 4.04 1.04 -1.26 -5.12 113.70 111.16 1a0j s SER 148 Ca 0.00 -0.27 -0.15 0.00 0.48 0.00 0.00 55.95 56.01 1a0j s SER 148 Cb 0.00 0.49 0.05 0.00 0.10 0.00 0.00 66.02 66.66 1a0j s SER 148 CO 0.00 -0.87 0.34 -0.44 0.98 0.00 0.00 173.24 173.24 1a0j s SER 149 N -2.79 6.09 -0.23 7.02 0.01 -1.26 -4.34 113.70 118.21 1a0j s SER 149 Ca 0.09 -1.12 -0.02 0.00 1.31 0.00 0.00 55.95 56.21 1a0j s SER 149 Cb -0.02 -2.16 0.07 0.00 0.21 0.00 0.00 66.02 64.12 1a0j s SER 149 CO -0.02 -0.54 0.04 0.21 0.41 0.00 0.00 173.24 173.34 1a0j s ASN 150 N 2.10 3.29 -0.10 2.44 3.84 -1.26 -5.04 114.94 120.21 1a0j s ASN 150 Ca 0.04 -1.05 -0.01 0.00 0.21 0.00 0.00 52.86 52.05 1a0j s ASN 150 Cb -0.22 -0.73 -0.03 0.00 -0.55 0.00 0.00 41.25 39.73 1a0j s ASN 150 CO 0.08 -0.32 -0.04 -0.31 -2.79 0.00 0.00 177.10 173.72 1a0j s TYR 151 N 1.75 3.02 0.45 0.43 1.51 -1.26 -0.68 117.35 122.57 1a0j s TYR 151 Ca 0.01 -0.05 -0.07 0.00 -1.01 0.00 0.00 57.07 55.95 1a0j s TYR 151 Cb -0.17 -1.81 -0.04 0.00 -0.11 0.00 0.00 41.96 39.82 1a0j s TYR 151 CO -0.12 0.24 0.77 -1.25 -1.11 0.00 0.00 175.55 174.07 1a0j s PRO 152 N -0.42 3.61 -0.12 -1.71 0.04 -1.26 -5.01 135.00 130.13 1a0j s PRO 152 Ca 0.07 0.26 0.15 0.00 0.04 0.00 0.00 61.00 61.52 1a0j s PRO 152 Cb -0.12 -2.39 -0.24 0.00 0.04 0.00 0.00 34.50 31.78 1a0j s PRO 152 CO 0.02 -0.14 0.38 -0.25 0.04 0.00 0.00 177.00 177.06 1a0j n ASP 153 N -1.93 0.47 -4.91 6.66 8.00 -1.26 -4.90 116.55 118.67 1a0j n ASP 153 Ca 0.01 0.22 -0.32 0.00 0.71 0.00 0.00 54.79 55.40 1a0j n ASP 153 Cb 0.55 0.44 -0.04 0.00 -0.02 0.00 0.00 41.12 42.04 1a0j n ASP 153 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1a0j s THR 154 N -2.55 5.40 0.25 -3.53 -4.23 -1.26 -1.22 115.64 108.50 1a0j s THR 154 Ca -0.07 -0.23 -0.31 0.00 -1.18 0.00 0.00 61.69 59.89 1a0j s THR 154 Cb 0.07 -3.58 -0.12 0.00 1.34 0.00 0.00 72.50 70.20 1a0j s THR 154 CO 0.83 0.24 1.57 -0.11 -0.54 0.00 0.00 174.62 176.61 1a0j n LEU 155 N 0.64 3.85 -4.70 4.79 7.94 -0.46 -4.86 117.00 124.20 1a0j n LEU 155 Ca -0.08 1.12 -0.28 0.00 -1.11 0.00 0.00 56.01 55.66 1a0j n LEU 155 Cb 0.52 -1.53 -0.07 0.00 0.53 0.00 0.00 43.42 42.86 1a0j n LEU 155 CO 0.47 -0.04 -0.31 -0.13 -1.11 0.00 0.00 177.39 176.27 1a0j s ARG 156 N -0.01 2.57 0.11 1.96 1.81 -0.75 -1.24 118.95 123.39 1a0j s ARG 156 Ca 0.69 -0.93 0.07 0.00 -1.72 0.00 0.00 55.73 53.84 1a0j s ARG 156 Cb -0.55 -2.50 -0.04 0.00 -0.45 0.00 0.00 34.95 31.41 1a0j s ARG 156 CO 0.45 0.50 -0.17 0.00 -0.68 0.00 0.00 175.30 175.39 1a0j s LEU 158 N -2.12 -0.44 -0.00 0.00 2.96 -0.35 -0.82 118.68 117.90 1a0j s LEU 158 Ca 0.07 1.09 -0.18 0.00 -0.22 0.00 0.00 54.13 54.89 1a0j s LEU 158 Cb -0.08 1.64 -0.06 0.00 0.50 0.00 0.00 46.19 48.20 1a0j s LEU 158 CO 0.04 -0.21 0.50 -1.81 -1.32 0.00 0.00 176.35 173.54 1a0j s ASP 159 N 1.75 6.89 -0.03 3.68 1.01 -1.26 -1.00 116.67 127.71 1a0j s ASP 159 Ca -0.08 1.05 -0.25 0.00 0.71 0.00 0.00 52.55 53.98 1a0j s ASP 159 Cb -0.08 -2.31 0.05 0.00 1.01 0.00 0.00 42.92 41.59 1a0j s ASP 159 CO -0.15 0.21 0.56 -1.48 0.21 0.00 0.00 175.17 174.52 1a0j s LEU 160 N -0.61 -0.17 0.37 1.23 2.34 -0.35 -4.96 118.68 116.53 1a0j s LEU 160 Ca 0.27 0.48 -0.04 0.00 0.06 0.00 0.00 54.13 54.90 1a0j s LEU 160 Cb -0.17 2.13 -0.04 0.00 -0.56 0.00 0.00 46.19 47.55 1a0j s LEU 160 CO 0.15 -0.58 0.64 -2.16 -1.06 0.00 0.00 176.35 173.34 1a0j s PRO 161 N -1.37 3.58 0.17 1.48 0.04 -1.26 -0.57 135.00 137.06 1a0j s PRO 161 Ca -0.11 0.00 -0.30 0.00 0.04 0.00 0.00 61.00 60.63 1a0j s PRO 161 Cb -0.02 -2.55 -0.07 0.00 0.04 0.00 0.00 34.50 31.90 1a0j s PRO 161 CO 0.07 0.05 1.03 0.42 0.04 0.00 0.00 177.00 178.61 1a0j s ILE 162 N -2.36 4.10 0.29 0.56 1.01 -0.22 -1.78 121.20 122.79 1a0j s ILE 162 Ca 0.44 1.84 0.01 0.00 0.00 0.00 0.00 60.65 62.95 1a0j s ILE 162 Cb -0.10 -4.17 -0.03 0.00 0.01 0.00 0.00 42.46 38.16 1a0j s ILE 162 CO 0.36 0.33 0.47 -0.76 0.00 0.00 0.00 174.94 175.34 1a0j s LEU 163 N -0.41 4.13 0.61 2.97 1.43 -0.56 -0.51 118.68 126.34 1a0j s LEU 163 Ca 0.47 0.35 -0.16 0.00 -1.03 0.00 0.00 54.13 53.76 1a0j s LEU 163 Cb -0.27 -3.17 -0.03 0.00 0.03 0.00 0.00 46.19 42.75 1a0j s LEU 163 CO 0.33 -0.19 1.07 -0.94 0.23 0.00 0.00 176.35 176.86 1a0j s SER 164 N -3.83 5.59 0.40 2.29 1.04 -1.26 -4.65 113.70 113.28 1a0j s SER 164 Ca 0.38 1.87 0.13 0.00 0.48 0.00 0.00 55.95 58.81 1a0j s SER 164 Cb -0.10 -2.54 0.97 0.00 0.10 0.00 0.00 66.02 64.45 1a0j s SER 164 CO 0.33 -1.30 1.92 0.28 0.98 0.00 0.00 173.24 175.45 1a0j h SER 165 N 0.32 0.47 -0.09 7.02 0.02 -1.98 0.20 113.55 119.52 1a0j h SER 165 Ca -0.47 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1a0j h SER 165 Cb 1.23 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.69 1a0j h SER 165 CO 0.56 0.26 0.05 0.28 -1.14 0.00 0.00 176.83 176.84 1a0j h SER 166 N 0.51 0.12 -0.75 3.07 0.02 -1.99 0.15 113.55 114.68 1a0j h SER 166 Ca 0.37 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.22 1a0j h SER 166 Cb 0.73 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.21 1a0j h SER 166 CO -0.13 0.17 0.40 0.28 -1.14 0.00 0.00 176.83 176.41 1a0j h SER 167 N 0.05 0.95 -0.28 3.07 0.02 -1.61 -1.84 113.55 113.90 1a0j h SER 167 Ca 0.03 -0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 60.81 1a0j h SER 167 Cb 0.08 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 1a0j h SER 167 CO -0.01 0.78 -0.09 0.00 -1.14 0.00 0.00 176.83 176.38 1a0j h ASN 169 N 0.32 0.33 1.29 0.00 2.35 -0.64 -1.88 115.58 117.35 1a0j h ASN 169 Ca 0.07 -0.18 -0.05 0.00 -0.55 0.00 0.00 56.30 55.59 1a0j h ASN 169 Cb 0.59 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 1a0j h ASN 169 CO 0.03 0.82 -0.26 0.28 -1.65 0.00 0.00 177.43 176.66 1a0j h SER 170 N 0.23 0.00 0.83 5.81 0.02 -1.24 -2.03 113.55 117.16 1a0j h SER 170 Ca 0.00 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.73 1a0j h SER 170 Cb 1.05 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 1a0j h SER 170 CO 0.09 0.26 -1.04 0.00 -1.14 0.00 0.00 176.83 175.00 1a0j h ALA 171 N 1.74 0.32 -2.06 3.77 0.00 -0.58 -3.39 119.26 119.06 1a0j h ALA 171 Ca -0.00 -0.87 -0.56 0.00 0.00 0.00 0.00 54.91 53.48 1a0j h ALA 171 Cb 0.97 -0.10 -0.40 0.00 0.00 0.00 0.00 17.79 18.26 1a0j h ALA 171 CO 0.03 1.11 -0.97 0.66 0.00 0.00 0.00 179.25 180.08 1a0j n TYR 172 N -3.46 0.89 -1.71 0.00 4.01 -0.77 -4.90 117.16 111.22 1a0j n TYR 172 Ca -0.03 -3.76 -0.42 0.00 -0.16 0.00 0.00 57.90 53.53 1a0j n TYR 172 Cb 0.93 -0.42 -0.03 0.00 -0.31 0.00 0.00 39.34 39.52 1a0j n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1a0j n PRO 173 N 1.07 2.77 -0.70 -0.72 -0.02 -0.77 -1.66 135.00 134.98 1a0j n PRO 173 Ca 0.24 1.00 0.00 0.00 -2.02 0.00 0.00 63.50 62.72 1a0j n PRO 173 Cb 0.51 -2.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 1a0j n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a0j n GLY 174 N 4.03 1.22 0.00 -1.23 0.00 -1.26 -4.86 105.19 103.09 1a0j n GLY 174 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.26 1a0j n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1a0j n GLN 175 N -2.00 1.47 -3.42 1.61 1.13 -0.66 -4.96 117.38 110.55 1a0j n GLN 175 Ca 0.00 -0.03 -0.39 0.00 -1.94 0.00 0.00 57.00 54.63 1a0j n GLN 175 Cb 0.00 -1.28 -0.09 0.00 0.11 0.00 0.00 30.24 28.97 1a0j n GLN 175 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1a0j s ILE 176 N -2.64 5.19 0.67 5.09 -1.09 -1.25 -5.07 121.20 122.11 1a0j s ILE 176 Ca 0.03 0.42 -0.01 0.00 -2.23 0.00 0.00 60.65 58.86 1a0j s ILE 176 Cb 0.12 -3.70 0.09 0.00 -1.58 0.00 0.00 42.46 37.39 1a0j s ILE 176 CO 0.66 0.13 0.94 0.42 -1.23 0.00 0.00 174.94 175.85 1a0j s THR 177 N 2.02 2.31 -0.92 2.92 -4.23 -1.26 -4.96 115.64 111.53 1a0j s THR 177 Ca 0.13 -0.56 0.07 0.00 -1.18 0.00 0.00 61.69 60.15 1a0j s THR 177 Cb -0.16 -2.75 0.06 0.00 1.34 0.00 0.00 72.50 70.99 1a0j s THR 177 CO 0.10 0.00 1.22 -1.20 -0.54 0.00 0.00 174.62 174.21 1a0j n SER 178 N -2.72 0.07 -1.70 3.99 7.64 -1.26 -2.37 113.62 117.27 1a0j n SER 178 Ca 0.12 0.53 0.08 0.00 1.01 0.00 0.00 58.87 60.60 1a0j n SER 178 Cb 0.60 -0.54 0.38 0.00 -1.01 0.00 0.00 64.21 63.64 1a0j n SER 178 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1a0j n ASN 179 N -1.59 5.31 -4.07 6.43 3.02 -1.26 -4.93 115.26 118.17 1a0j n ASN 179 Ca 0.01 -2.86 -0.14 0.00 -0.03 0.00 0.00 54.58 51.57 1a0j n ASN 179 Cb 0.06 -0.65 -0.12 0.00 -0.61 0.00 0.00 39.78 38.47 1a0j n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1a0j s MET 180 N -2.61 0.56 0.06 3.52 -1.94 -1.00 -0.82 119.30 117.07 1a0j s MET 180 Ca 0.52 -0.76 -0.06 0.00 -1.71 0.00 0.00 55.69 53.69 1a0j s MET 180 Cb 0.39 -0.37 -0.01 0.00 2.01 0.00 0.00 34.83 36.85 1a0j s MET 180 CO 0.16 0.07 0.10 -0.59 -0.01 0.00 0.00 175.02 174.76 1a0j s PHE 181 N -1.31 0.25 0.06 -0.03 -0.12 -0.65 -4.81 117.98 111.37 1a0j s PHE 181 Ca -0.08 -0.65 0.01 0.00 -0.05 0.00 0.00 56.93 56.16 1a0j s PHE 181 Cb -0.10 -0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.09 1a0j s PHE 181 CO 0.01 -0.43 0.17 0.00 -0.05 0.00 0.00 175.22 174.92 1a0j s ALA 183 N -1.46 -0.87 0.00 0.00 0.00 -0.63 -1.50 121.76 117.30 1a0j s ALA 183 Ca 0.33 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.68 1a0j s ALA 183 Cb -0.13 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.08 1a0j s ALA 183 CO 0.25 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.14 1a0j n GLY 184 N 1.18 0.25 2.81 0.00 0.00 -0.74 -2.61 105.19 106.09 1a0j n GLY 184 Ca -0.21 -1.49 -0.24 0.00 0.00 0.00 0.00 46.02 44.08 1a0j n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a0j s PHE 184 N -1.13 0.92 0.12 1.61 0.08 -1.26 -4.39 117.98 113.93 1a0j s PHE 184 Ca 0.00 -0.35 0.34 0.00 0.12 0.00 0.00 56.93 57.04 1a0j s PHE 184 Cb 0.00 -0.94 1.48 0.00 -0.57 0.00 0.00 43.02 43.00 1a0j s PHE 184 CO 0.00 -0.39 2.01 0.52 -0.10 0.00 0.00 175.22 177.26 1a0j h MET 185 N 8.28 0.00 0.00 0.44 2.86 -1.96 0.05 114.93 124.60 1a0j h MET 185 Ca -0.23 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 1a0j h MET 185 Cb 1.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.79 1a0j h MET 185 CO 0.31 0.00 0.00 -0.85 1.06 0.00 0.00 176.91 177.43 1a0j n GLU 186 N -2.99 0.73 0.00 1.72 0.00 -1.26 -0.06 120.64 118.78 1a0j n GLU 186 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1a0j n GLU 186 Cb 0.26 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.20 1a0j n GLU 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1a0j n GLY 187 N 1.09 -0.61 2.67 -1.84 0.00 0.00 -4.46 105.19 102.04 1a0j n GLY 187 Ca 0.19 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1a0j n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a0j n GLY 188 N 0.00 2.52 2.84 -0.02 0.00 -0.23 -4.83 105.19 105.48 1a0j n GLY 188 Ca 0.00 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 1a0j n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a0j s LYS 188 N 0.00 0.60 0.07 1.61 1.02 -1.26 -4.05 119.74 117.73 1a0j s LYS 188 Ca 0.00 0.00 -0.27 0.00 0.02 0.00 0.00 55.97 55.72 1a0j s LYS 188 Cb 0.00 -0.74 0.08 0.00 -0.52 0.00 0.00 37.83 36.65 1a0j s LYS 188 CO 0.00 -0.14 0.95 0.34 -0.92 0.00 0.00 175.35 175.57 1a0j s ASP 189 N 1.17 -0.25 0.92 2.83 2.15 -0.76 -4.34 116.67 118.38 1a0j s ASP 189 Ca -0.07 -0.21 -0.14 0.00 0.43 0.00 0.00 52.55 52.55 1a0j s ASP 189 Cb -0.14 0.42 0.18 0.00 -0.30 0.00 0.00 42.92 43.08 1a0j s ASP 189 CO -0.02 -0.74 1.28 -0.94 -0.17 0.00 0.00 175.17 174.58 1a0j s SER 190 N -2.73 3.42 0.13 -0.34 1.04 -1.26 -0.42 113.70 113.54 1a0j s SER 190 Ca 0.09 0.31 -0.03 0.00 0.48 0.00 0.00 55.95 56.80 1a0j s SER 190 Cb -0.01 -0.45 0.01 0.00 0.10 0.00 0.00 66.02 65.67 1a0j s SER 190 CO -0.03 -2.54 0.23 0.00 0.98 0.00 0.00 173.24 171.88 1a0j n GLN 192 N -0.19 2.45 0.00 0.00 6.02 -1.26 -1.85 117.38 122.56 1a0j n GLN 192 Ca -0.02 0.87 0.00 0.00 -0.01 0.00 0.00 57.00 57.84 1a0j n GLN 192 Cb 0.20 -2.58 0.00 0.00 1.02 0.00 0.00 30.24 28.88 1a0j n GLN 192 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1a0j n GLY 193 N 1.62 3.41 0.05 1.08 0.00 -1.26 -1.04 105.19 109.06 1a0j n GLY 193 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.21 1a0j n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a0j n ASP 194 N 0.00 0.67 -4.60 1.61 8.00 -0.77 -3.90 116.55 117.56 1a0j n ASP 194 Ca 0.00 0.05 -0.45 0.00 0.71 0.00 0.00 54.79 55.10 1a0j n ASP 194 Cb 0.00 0.24 -0.02 0.00 -0.02 0.00 0.00 41.12 41.32 1a0j n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1a0j n SER 195 N -2.04 1.50 0.00 -2.24 7.64 -1.26 -1.00 113.62 116.23 1a0j n SER 195 Ca 0.03 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1a0j n SER 195 Cb 0.43 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 1a0j n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a0j n GLY 196 N 1.41 3.25 3.80 0.23 0.00 0.00 -0.99 105.19 112.89 1a0j n GLY 196 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1a0j n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a0j s GLY 197 N -2.18 1.64 0.35 -0.02 0.00 -0.17 -3.57 107.32 103.37 1a0j s GLY 197 Ca 0.00 -0.07 -0.25 0.00 0.00 0.00 0.00 44.72 44.39 1a0j s GLY 197 CO 0.00 0.32 0.99 2.56 0.00 0.00 0.00 173.10 176.97 1a0j s PRO 198 N -5.08 4.43 -0.23 2.90 0.04 -1.26 -1.26 135.00 134.54 1a0j s PRO 198 Ca 0.60 1.42 0.01 0.00 0.04 0.00 0.00 61.00 63.07 1a0j s PRO 198 Cb -0.15 -2.71 0.03 0.00 0.04 0.00 0.00 34.50 31.71 1a0j s PRO 198 CO 0.55 0.12 -0.12 0.08 0.04 0.00 0.00 177.00 177.66 1a0j s VAL 199 N -1.62 2.40 -0.15 -0.36 1.01 -0.10 -3.61 120.40 117.97 1a0j s VAL 199 Ca 0.53 -1.17 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 1a0j s VAL 199 Cb -0.20 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 1a0j s VAL 199 CO 0.26 0.25 -0.10 -0.69 0.00 0.00 0.00 175.10 174.82 1a0j s VAL 200 N 1.25 3.23 -0.12 2.92 1.01 -0.41 -1.17 120.40 127.10 1a0j s VAL 200 Ca -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1a0j s VAL 200 Cb -0.16 -2.39 0.02 0.00 0.00 0.00 0.00 36.38 33.85 1a0j s VAL 200 CO -0.07 0.50 -0.11 0.00 0.00 0.00 0.00 175.10 175.42 1a0j n ASN 202 N 4.72 -2.79 0.00 0.00 3.02 -1.26 -1.52 115.26 117.42 1a0j n ASN 202 Ca -0.16 -1.07 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 1a0j n ASN 202 Cb 0.50 -2.92 0.00 0.00 -0.61 0.00 0.00 39.78 36.75 1a0j n ASN 202 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a0j n GLY 203 N -1.91 1.16 3.56 7.41 0.00 -1.26 -4.99 105.19 109.16 1a0j n GLY 203 Ca -0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 1a0j n GLY 203 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a0j s GLN 204 N -0.21 2.28 -0.52 1.61 -0.21 -0.58 -3.17 119.66 118.86 1a0j s GLN 204 Ca 0.00 -0.90 -0.29 0.00 0.02 0.00 0.00 55.36 54.19 1a0j s GLN 204 Cb 0.00 -2.35 0.03 0.00 1.00 0.00 0.00 33.01 31.68 1a0j s GLN 204 CO 0.00 0.55 1.23 -1.17 -2.12 0.00 0.00 175.29 173.78 1a0j s LEU 209 N -1.75 3.52 -0.06 2.90 2.96 0.10 -0.69 118.68 125.67 1a0j s LEU 209 Ca 0.18 0.34 0.17 0.00 -0.22 0.00 0.00 54.13 54.61 1a0j s LEU 209 Cb -0.11 -3.33 -0.26 0.00 0.50 0.00 0.00 46.19 42.98 1a0j s LEU 209 CO 0.10 -1.43 0.32 0.00 -1.32 0.00 0.00 176.35 174.02 1a0j n GLN 210 N 8.22 0.71 -4.02 1.98 1.13 -0.32 -3.86 117.38 121.22 1a0j n GLN 210 Ca 0.11 -0.13 -0.08 0.00 -1.94 0.00 0.00 57.00 54.96 1a0j n GLN 210 Cb 0.49 -1.43 -0.10 0.00 0.11 0.00 0.00 30.24 29.31 1a0j n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1a0j s GLY 211 N -4.31 0.35 -0.10 1.08 0.00 -0.79 -1.99 107.32 101.57 1a0j s GLY 211 Ca -0.07 -0.97 0.03 0.00 0.00 0.00 0.00 44.72 43.70 1a0j s GLY 211 CO 0.74 -1.09 -0.18 0.14 0.00 0.00 0.00 173.10 172.71 1a0j s VAL 212 N -3.48 1.61 0.04 1.40 1.01 -1.13 -0.93 120.40 118.93 1a0j s VAL 212 Ca 0.03 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 60.97 1a0j s VAL 212 Cb 0.04 -1.44 -0.09 0.00 0.00 0.00 0.00 36.38 34.90 1a0j s VAL 212 CO -0.08 0.46 1.95 -0.69 0.00 0.00 0.00 175.10 176.74 1a0j s VAL 213 N 0.68 2.98 0.06 2.92 1.01 -0.39 -0.99 120.40 126.68 1a0j s VAL 213 Ca -0.13 0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1a0j s VAL 213 Cb -0.16 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1a0j s VAL 213 CO 0.03 -0.00 0.00 -0.24 0.00 0.00 0.00 175.10 174.89 1a0j n SER 214 N 7.36 0.63 -3.23 3.32 2.88 -1.04 -0.81 113.62 122.72 1a0j n SER 214 Ca 0.20 0.09 -0.10 0.00 -1.33 0.00 0.00 58.87 57.73 1a0j n SER 214 Cb 0.41 -0.18 -0.01 0.00 -0.75 0.00 0.00 64.21 63.68 1a0j n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1a0j s TRP 215 N -1.59 0.36 0.00 0.66 1.48 -0.81 -4.93 118.94 114.11 1a0j s TRP 215 Ca 0.00 -0.86 0.00 0.00 -1.06 0.00 0.00 56.10 54.18 1a0j s TRP 215 Cb 0.00 0.51 0.00 0.00 -1.16 0.00 0.00 33.47 32.82 1a0j s TRP 215 CO 0.00 -1.36 0.00 0.41 -4.06 0.00 0.00 176.95 171.94 1a0j n GLY 216 N -0.52 0.48 3.51 3.67 0.00 -1.26 -0.99 105.19 110.08 1a0j n GLY 216 Ca -0.05 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 1a0j n GLY 216 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a0j s TYR 217 N -2.00 3.19 0.00 1.61 2.02 -1.26 -4.93 117.35 115.98 1a0j s TYR 217 Ca 0.00 -0.25 0.00 0.00 -0.37 0.00 0.00 57.07 56.45 1a0j s TYR 217 Cb 0.00 -2.78 0.00 0.00 -0.40 0.00 0.00 41.96 38.78 1a0j s TYR 217 CO 0.00 -0.58 0.00 0.41 -1.57 0.00 0.00 175.55 173.81 1a0j n GLY 219 N 5.05 0.42 2.93 0.71 0.00 -1.26 -4.70 105.19 108.34 1a0j n GLY 219 Ca -0.08 -0.92 -0.17 0.00 0.00 0.00 0.00 46.02 44.85 1a0j n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a0j n ALA 221 N 3.36 -0.72 -2.08 0.00 0.00 -1.26 -4.45 120.51 115.36 1a0j n ALA 221 Ca -0.18 0.13 -0.32 0.00 0.00 0.00 0.00 53.44 53.06 1a0j n ALA 221 Cb 0.55 -1.75 -0.06 0.00 0.00 0.00 0.00 19.45 18.19 1a0j n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1a0j s GLN 221 N -5.02 4.00 0.27 0.00 -1.52 -1.26 -1.07 119.66 115.06 1a0j s GLN 221 Ca 0.00 0.72 -0.30 0.00 -1.95 0.00 0.00 55.36 53.84 1a0j s GLN 221 Cb 0.00 -2.37 -0.10 0.00 -0.22 0.00 0.00 33.01 30.32 1a0j s GLN 221 CO 0.00 0.08 1.41 0.50 -0.25 0.00 0.00 175.29 177.03 1a0j s ARG 222 N -3.18 4.28 -1.94 2.91 3.52 -1.26 -1.95 118.95 121.33 1a0j s ARG 222 Ca 0.55 2.29 0.00 0.00 -0.13 0.00 0.00 55.73 58.44 1a0j s ARG 222 Cb -0.10 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.20 1a0j s ARG 222 CO 0.19 -0.37 0.00 0.09 -0.81 0.00 0.00 175.30 174.40 1a0j n ASN 223 N 1.89 -5.32 -3.34 -2.12 3.02 0.92 -4.91 115.26 105.39 1a0j n ASN 223 Ca 0.05 0.45 -0.26 0.00 -0.03 0.00 0.00 54.58 54.79 1a0j n ASN 223 Cb 0.41 -4.43 -0.08 0.00 -0.61 0.00 0.00 39.78 35.07 1a0j n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1a0j n LYS 224 N -2.31 1.60 -1.22 3.52 4.76 -0.82 -4.73 118.16 118.95 1a0j n LYS 224 Ca -0.18 -3.96 -0.29 0.00 -2.87 0.00 0.00 58.31 51.00 1a0j n LYS 224 Cb 0.62 -1.78 0.15 0.00 -1.84 0.00 0.00 35.03 32.18 1a0j n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1a0j s PRO 225 N -1.75 0.92 0.59 1.97 0.04 -1.26 -4.34 135.00 131.17 1a0j s PRO 225 Ca 0.37 0.65 -0.17 0.00 0.04 0.00 0.00 61.00 61.88 1a0j s PRO 225 Cb 0.14 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.86 1a0j s PRO 225 CO -0.07 -2.43 1.09 0.20 0.04 0.00 0.00 177.00 175.83 1a0j s GLY 226 N -3.50 2.32 -0.09 0.56 0.00 -1.07 -4.72 107.32 100.82 1a0j s GLY 226 Ca 0.64 0.58 0.02 0.00 0.00 0.00 0.00 44.72 45.97 1a0j s GLY 226 CO 0.57 0.92 -0.16 0.14 0.00 0.00 0.00 173.10 174.57 1a0j s VAL 227 N -2.18 2.83 0.03 1.40 1.01 -0.16 -1.60 120.40 121.73 1a0j s VAL 227 Ca 0.67 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.95 1a0j s VAL 227 Cb -0.19 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 1a0j s VAL 227 CO 0.34 0.56 -0.18 -0.31 0.00 0.00 0.00 175.10 175.50 1a0j s TYR 228 N -0.08 1.58 0.16 5.22 2.02 0.12 -1.92 117.35 124.45 1a0j s TYR 228 Ca -0.03 -0.35 -0.31 0.00 -0.37 0.00 0.00 57.07 56.01 1a0j s TYR 228 Cb -0.14 -0.95 -0.09 0.00 -0.40 0.00 0.00 41.96 40.38 1a0j s TYR 228 CO 0.04 0.05 1.43 0.99 -1.57 0.00 0.00 175.55 176.49 1a0j s THR 229 N -0.74 3.02 -0.94 -0.71 2.01 -0.16 -1.64 115.64 116.49 1a0j s THR 229 Ca 0.05 0.76 -0.24 0.00 0.31 0.00 0.00 61.69 62.58 1a0j s THR 229 Cb -0.08 -3.49 0.05 0.00 0.01 0.00 0.00 72.50 68.99 1a0j s THR 229 CO 0.01 0.08 1.37 -0.75 -0.69 0.00 0.00 174.62 174.63 1a0j s LYS 230 N 0.73 3.48 0.48 4.92 2.20 -0.00 -2.84 119.74 128.71 1a0j s LYS 230 Ca 0.64 -0.97 0.14 0.00 -0.36 0.00 0.00 55.97 55.43 1a0j s LYS 230 Cb -0.39 -5.01 1.11 0.00 -1.51 0.00 0.00 37.83 32.03 1a0j s LYS 230 CO 0.33 -2.14 2.07 0.28 -0.36 0.00 0.00 175.35 175.53 1a0j h VAL 231 N 6.51 1.06 0.00 4.02 2.07 -1.71 -2.38 116.25 125.82 1a0j h VAL 231 Ca 0.07 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1a0j h VAL 231 Cb 1.02 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1a0j h VAL 231 CO 1.36 0.09 0.00 0.00 0.02 0.00 0.00 177.57 179.03 1a0j n ASN 233 N -2.10 0.29 -0.50 0.00 3.02 -0.90 -3.59 115.26 111.49 1a0j n ASN 233 Ca 0.01 0.54 0.06 0.00 -0.03 0.00 0.00 54.58 55.16 1a0j n ASN 233 Cb 0.16 -0.62 0.15 0.00 -0.61 0.00 0.00 39.78 38.86 1a0j n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1a0j n TYR 234 N -1.79 0.43 -0.22 3.10 4.01 0.07 -4.71 117.16 118.06 1a0j n TYR 234 Ca 0.05 -0.66 -0.03 0.00 -0.16 0.00 0.00 57.90 57.10 1a0j n TYR 234 Cb 0.31 -0.12 0.08 0.00 -0.31 0.00 0.00 39.34 39.30 1a0j n TYR 234 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1a0j h ARG 235 N 1.28 0.66 -0.26 -0.72 3.08 -1.64 0.10 114.38 116.89 1a0j h ARG 235 Ca 0.00 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 1a0j h ARG 235 Cb 0.91 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 1a0j h ARG 235 CO 0.06 0.44 -0.01 0.77 -1.07 0.00 0.00 179.97 180.16 1a0j h SER 236 N 0.68 0.46 -0.54 7.04 0.02 -1.89 -1.97 113.55 117.35 1a0j h SER 236 Ca 0.27 -0.31 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1a0j h SER 236 Cb 0.12 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1a0j h SER 236 CO -0.15 0.66 0.32 -0.25 -1.14 0.00 0.00 176.83 176.27 1a0j h TRP 237 N 0.24 0.72 -0.22 3.45 7.01 -1.73 -0.24 115.95 125.18 1a0j h TRP 237 Ca 0.07 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.03 1a0j h TRP 237 Cb 0.43 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.24 1a0j h TRP 237 CO 0.04 0.50 0.00 0.82 -2.79 0.00 0.00 178.44 177.01 1a0j h ILE 238 N 0.73 1.25 0.21 2.65 2.04 -0.94 -1.15 117.51 122.30 1a0j h ILE 238 Ca 0.19 -0.88 0.01 0.00 1.00 0.00 0.00 64.86 65.19 1a0j h ILE 238 Cb -0.01 1.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 1a0j h ILE 238 CO -0.04 0.27 -0.40 0.28 0.00 0.00 0.00 178.15 178.26 1a0j h SER 239 N 0.17 -1.15 -0.57 1.72 0.02 -0.79 -1.81 113.55 111.13 1a0j h SER 239 Ca 0.06 0.12 0.11 0.00 -0.84 0.00 0.00 61.79 61.25 1a0j h SER 239 Cb 0.40 0.42 -0.09 0.00 0.14 0.00 0.00 62.40 63.26 1a0j h SER 239 CO 0.01 -0.50 0.01 0.28 -1.14 0.00 0.00 176.83 175.49 1a0j h SER 240 N -0.70 -0.22 -0.59 3.07 0.02 -1.04 -0.76 113.55 113.33 1a0j h SER 240 Ca 0.00 0.13 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 1a0j h SER 240 Cb 0.69 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.44 1a0j h SER 240 CO -0.18 -0.08 0.13 0.74 -1.14 0.00 0.00 176.83 176.30 1a0j h THR 241 N 0.13 1.25 -0.26 -2.27 2.02 -1.00 -2.73 112.91 110.04 1a0j h THR 241 Ca 0.29 -0.94 -0.15 0.00 0.77 0.00 0.00 66.41 66.39 1a0j h THR 241 Cb 0.45 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1a0j h THR 241 CO -0.47 0.35 -0.44 0.24 0.37 0.00 0.00 175.52 175.57 1a0j h MET 242 N 0.87 0.66 0.00 6.66 2.86 -0.88 -2.09 114.93 123.01 1a0j h MET 242 Ca 0.18 -0.36 -0.03 0.00 -2.06 0.00 0.00 59.70 57.43 1a0j h MET 242 Cb 0.38 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 1a0j h MET 242 CO 0.01 0.97 -0.15 0.77 1.06 0.00 0.00 176.91 179.57 1a0j h SER 243 N 0.54 0.00 0.00 1.22 0.02 -0.94 -3.22 113.55 111.17 1a0j h SER 243 Ca 0.04 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1a0j h SER 243 Cb 0.98 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 1a0j h SER 243 CO 0.09 0.15 -0.30 -1.54 -1.14 0.00 0.00 176.83 174.09 1a0j n SER 244 N -3.41 1.24 0.00 3.07 3.41 -1.05 -5.09 113.62 111.79 1a0j n SER 244 Ca -0.01 -2.62 0.00 0.00 -0.26 0.00 0.00 58.87 55.99 1a0j n SER 244 Cb 0.33 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1a0j n SER 244 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47