#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 4.67 -0.74 1.39 1.01 0.70 -4.05 120.40 123.39 1a0j s VAL 17 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1a0j s VAL 17 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1a0j s VAL 17 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1a0j n GLY 18 N 3.58 0.47 0.00 4.51 0.00 -1.26 -1.42 105.19 111.08 1a0j n GLY 18 Ca -0.17 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.47 2.72 3.21 -0.02 0.00 -1.26 -4.85 105.19 103.51 1a0j n GLY 19 Ca -0.09 -1.92 -0.10 0.00 0.00 0.00 0.00 46.02 43.92 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 2.56 0.70 0.10 1.61 1.13 -0.13 -4.94 117.35 118.38 1a0j s TYR 20 Ca 0.00 -1.08 -0.31 0.00 -1.41 0.00 0.00 57.07 54.27 1a0j s TYR 20 Cb 0.00 -0.34 -0.07 0.00 -1.10 0.00 0.00 41.96 40.45 1a0j s TYR 20 CO 0.00 -0.58 1.28 -1.21 -2.51 0.00 0.00 175.55 172.53 1a0j s GLU 21 N -4.02 4.39 0.33 -3.49 2.02 -1.26 -0.34 118.70 116.33 1a0j s GLU 21 Ca 0.21 1.92 -0.29 0.00 0.02 0.00 0.00 54.97 56.84 1a0j s GLU 21 Cb 0.06 -3.29 -0.11 0.00 0.10 0.00 0.00 34.13 30.89 1a0j s GLU 21 CO 0.01 -0.31 1.51 0.00 0.02 0.00 0.00 175.26 176.48 1a0j s ARG 23 N -1.35 4.00 0.51 0.00 1.81 -1.26 -4.86 118.95 117.80 1a0j s ARG 23 Ca 0.57 2.54 0.36 0.00 -1.72 0.00 0.00 55.73 57.49 1a0j s ARG 23 Cb -0.46 -2.89 1.52 0.00 -0.45 0.00 0.00 34.95 32.67 1a0j s ARG 23 CO 0.55 -0.61 1.73 1.57 -0.68 0.00 0.00 175.30 177.86 1a0j h LYS 24 N 2.83 0.06 0.05 3.54 2.10 -2.01 0.03 116.57 123.16 1a0j h LYS 24 Ca -0.51 -0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 57.85 1a0j h LYS 24 Cb 1.25 -0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 32.53 1a0j h LYS 24 CO 0.63 0.04 -1.55 -0.97 -2.00 0.00 0.00 179.45 175.60 1a0j h ASN 25 N 0.07 0.16 -4.29 7.07 -0.73 -1.90 -3.45 115.58 112.50 1a0j h ASN 25 Ca 0.68 -0.26 -0.50 0.00 1.87 0.00 0.00 56.30 58.08 1a0j h ASN 25 Cb 2.52 -0.05 0.08 0.00 0.27 0.00 0.00 38.32 41.14 1a0j h ASN 25 CO -0.10 1.23 0.37 -0.94 -0.37 0.00 0.00 177.43 177.62 1a0j s SER 26 N -6.57 5.57 -1.38 1.15 1.04 -0.01 -3.77 113.70 109.73 1a0j s SER 26 Ca -0.07 1.68 -0.07 0.00 0.48 0.00 0.00 55.95 57.97 1a0j s SER 26 Cb 0.08 -2.51 0.04 0.00 0.10 0.00 0.00 66.02 63.73 1a0j s SER 26 CO 0.83 -1.31 0.50 0.00 0.98 0.00 0.00 173.24 174.24 1a0j n ALA 27 N -2.72 -1.01 0.95 5.32 0.00 -1.26 -4.74 120.51 117.05 1a0j n ALA 27 Ca 0.08 0.17 0.11 0.00 0.00 0.00 0.00 53.44 53.79 1a0j n ALA 27 Cb 0.53 -3.14 0.53 0.00 0.00 0.00 0.00 19.45 17.37 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 -2.35 0.00 -0.27 0.00 3.41 -1.25 -2.44 113.62 110.72 1a0j n SER 28 Ca -0.06 0.17 0.15 0.00 -0.26 0.00 0.00 58.87 58.86 1a0j n SER 28 Cb 0.58 -0.37 0.66 0.00 -0.26 0.00 0.00 64.21 64.82 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 -1.37 0.00 -2.16 7.33 0.18 -1.25 -1.73 117.16 118.16 1a0j n TYR 29 Ca 0.09 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.45 1a0j n TYR 29 Cb 0.21 -0.03 -0.03 0.00 -0.38 0.00 0.00 39.34 39.11 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 -2.09 4.33 0.21 -3.48 2.00 -1.02 -0.84 119.66 118.77 1a0j s GLN 30 Ca 0.39 2.10 0.10 0.00 -2.00 0.00 0.00 55.36 55.96 1a0j s GLN 30 Cb 0.21 -3.22 -0.04 0.00 0.80 0.00 0.00 33.01 30.76 1a0j s GLN 30 CO 0.37 -0.39 -0.15 0.00 -0.50 0.00 0.00 175.29 174.63 1a0j s ALA 31 N 0.73 2.81 -0.08 1.58 0.00 -0.72 -4.64 121.76 121.44 1a0j s ALA 31 Ca 0.62 -1.62 0.04 0.00 0.00 0.00 0.00 51.96 51.00 1a0j s ALA 31 Cb -0.37 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.20 1a0j s ALA 31 CO 0.34 0.40 -0.22 0.45 0.00 0.00 0.00 175.76 176.73 1a0j s SER 32 N -3.01 3.34 -0.23 0.00 0.15 -0.39 -1.90 113.70 111.66 1a0j s SER 32 Ca 0.25 -0.46 -0.11 0.00 0.70 0.00 0.00 55.95 56.33 1a0j s SER 32 Cb -0.08 -1.16 -0.05 0.00 -1.71 0.00 0.00 66.02 63.03 1a0j s SER 32 CO 0.14 0.21 0.18 -0.76 1.20 0.00 0.00 173.24 174.21 1a0j s LEU 33 N 0.04 4.14 0.07 3.45 1.43 -0.40 -0.99 118.68 126.42 1a0j s LEU 33 Ca -0.08 0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 1a0j s LEU 33 Cb -0.15 -2.14 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 1a0j s LEU 33 CO 0.05 0.08 -0.07 -1.10 0.23 0.00 0.00 176.35 175.54 1a0j s GLN 34 N 0.92 0.67 -0.48 1.70 -0.21 -0.05 -1.08 119.66 121.13 1a0j s GLN 34 Ca 0.09 -1.05 0.06 0.00 0.02 0.00 0.00 55.36 54.48 1a0j s GLN 34 Cb -0.13 -0.22 0.20 0.00 1.00 0.00 0.00 33.01 33.86 1a0j s GLN 34 CO 0.03 0.01 0.65 0.45 -2.12 0.00 0.00 175.29 174.31 1a0j n SER 37 N 0.68 -2.36 0.00 5.90 2.88 -1.26 -1.66 113.62 117.80 1a0j n SER 37 Ca -0.17 -2.85 0.00 0.00 -1.33 0.00 0.00 58.87 54.52 1a0j n SER 37 Cb 0.58 1.03 0.00 0.00 -0.75 0.00 0.00 64.21 65.07 1a0j n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a0j n GLY 38 N 2.54 1.63 3.79 0.46 0.00 -1.26 -4.83 105.19 107.52 1a0j n GLY 38 Ca 0.19 0.13 -0.35 0.00 0.00 0.00 0.00 46.02 46.00 1a0j n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a0j s TYR 39 N 0.00 3.08 -0.17 1.61 1.51 -1.26 -5.02 117.35 117.11 1a0j s TYR 39 Ca 0.00 1.60 -0.20 0.00 -1.01 0.00 0.00 57.07 57.46 1a0j s TYR 39 Cb 0.00 -3.09 -0.03 0.00 -0.11 0.00 0.00 41.96 38.73 1a0j s TYR 39 CO 0.00 -0.77 0.58 -3.38 -1.11 0.00 0.00 175.55 170.87 1a0j s HIS 40 N -1.87 3.42 -0.01 2.71 -3.43 -1.26 -4.30 115.29 110.56 1a0j s HIS 40 Ca 0.64 0.92 0.00 0.00 -0.80 0.00 0.00 55.06 55.82 1a0j s HIS 40 Cb -0.18 -2.72 -0.01 0.00 -1.43 0.00 0.00 32.58 28.24 1a0j s HIS 40 CO 0.23 -0.06 0.01 1.97 -2.00 0.00 0.00 174.74 174.89 1a0j n PHE 41 N 4.59 0.00 -3.84 0.38 1.16 -0.24 -4.99 117.46 114.51 1a0j n PHE 41 Ca -0.03 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.45 1a0j n PHE 41 Cb 0.50 -0.01 -0.05 0.00 -1.61 0.00 0.00 39.48 38.32 1a0j n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1a0j n GLY 43 N -0.31 2.14 3.88 0.00 0.00 -0.07 -1.27 105.19 109.56 1a0j n GLY 43 Ca -0.08 -2.23 -0.04 0.00 0.00 0.00 0.00 46.02 43.67 1a0j n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a0j s GLY 44 N -4.11 0.18 0.00 -0.02 0.00 -0.80 -3.85 107.32 98.73 1a0j s GLY 44 Ca 0.45 -0.44 -0.03 0.00 0.00 0.00 0.00 44.72 44.70 1a0j s GLY 44 CO 0.29 2.13 0.05 -1.35 0.00 0.00 0.00 173.10 174.22 1a0j s SER 45 N -3.38 0.08 -0.33 1.64 1.04 -0.36 -1.75 113.70 110.64 1a0j s SER 45 Ca 0.21 -0.22 -0.26 0.00 0.48 0.00 0.00 55.95 56.16 1a0j s SER 45 Cb -0.03 0.14 0.01 0.00 0.10 0.00 0.00 66.02 66.24 1a0j s SER 45 CO 0.07 -0.23 0.94 -0.22 0.98 0.00 0.00 173.24 174.77 1a0j s LEU 46 N -0.96 4.01 -0.01 2.42 2.96 -0.02 -0.99 118.68 126.09 1a0j s LEU 46 Ca -0.10 0.79 0.17 0.00 -0.22 0.00 0.00 54.13 54.76 1a0j s LEU 46 Cb -0.06 -3.31 -0.22 0.00 0.50 0.00 0.00 46.19 43.10 1a0j s LEU 46 CO 0.00 -0.78 0.57 2.30 -1.32 0.00 0.00 176.35 177.11 1a0j n ILE 47 N 5.78 0.00 -3.95 6.68 -5.35 -0.42 -0.95 119.36 121.16 1a0j n ILE 47 Ca 0.08 -0.23 -0.10 0.00 -0.27 0.00 0.00 62.75 62.23 1a0j n ILE 47 Cb 0.48 0.62 -0.03 0.00 -1.74 0.00 0.00 39.64 38.97 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 -3.17 0.12 0.58 7.28 1.04 -1.16 -4.55 113.70 113.83 1a0j s SER 48 Ca 0.01 -1.05 0.33 0.00 0.48 0.00 0.00 55.95 55.73 1a0j s SER 48 Cb 0.12 0.69 1.75 0.00 0.10 0.00 0.00 66.02 68.68 1a0j s SER 48 CO 0.70 -1.34 2.16 0.77 0.98 0.00 0.00 173.24 176.51 1a0j h SER 49 N 2.12 0.00 -0.08 7.02 4.64 -1.95 -3.12 113.55 122.17 1a0j h SER 49 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1a0j h SER 49 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1a0j h SER 49 CO 0.35 0.05 0.00 0.35 -0.87 0.00 0.00 176.83 176.71 1a0j n THR 50 N -3.43 0.30 -4.46 2.95 -2.24 -1.26 -1.23 114.28 104.90 1a0j n THR 50 Ca -0.02 -0.65 -0.21 0.00 -2.27 0.00 0.00 64.05 60.90 1a0j n THR 50 Cb 0.18 0.97 -0.15 0.00 -2.10 0.00 0.00 70.33 69.23 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 -0.78 1.04 -0.04 4.78 0.52 -1.18 -0.82 118.94 122.46 1a0j s TRP 51 Ca 0.12 -0.25 0.07 0.00 0.02 0.00 0.00 56.10 56.06 1a0j s TRP 51 Cb 0.08 -0.72 -0.01 0.00 -1.15 0.00 0.00 33.47 31.66 1a0j s TRP 51 CO 0.11 -0.08 -0.25 0.08 0.02 0.00 0.00 176.95 176.82 1a0j s VAL 52 N 0.05 2.02 0.03 4.03 1.01 -0.34 -1.30 120.40 125.90 1a0j s VAL 52 Ca -0.01 -1.07 0.04 0.00 0.00 0.00 0.00 61.98 60.94 1a0j s VAL 52 Cb -0.08 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1a0j s VAL 52 CO 0.00 0.57 -0.04 0.68 0.00 0.00 0.00 175.10 176.31 1a0j s VAL 53 N -0.37 3.84 0.00 2.92 -7.23 -0.16 -0.47 120.40 118.92 1a0j s VAL 53 Ca 0.03 -0.84 0.00 0.00 -1.81 0.00 0.00 61.98 59.36 1a0j s VAL 53 Cb -0.12 -2.73 0.00 0.00 0.56 0.00 0.00 36.38 34.09 1a0j s VAL 53 CO 0.01 0.29 0.00 -0.24 -0.31 0.00 0.00 175.10 174.85 1a0j n SER 54 N 1.17 0.00 -4.82 4.85 2.88 -0.29 -1.22 113.62 116.19 1a0j n SER 54 Ca -0.14 -0.47 -0.37 0.00 -1.33 0.00 0.00 58.87 56.56 1a0j n SER 54 Cb 0.52 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 -1.59 3.75 0.58 -1.46 0.00 -1.26 -1.33 121.76 120.44 1a0j s ALA 55 Ca 0.00 -0.47 0.27 0.00 0.00 0.00 0.00 51.96 51.76 1a0j s ALA 55 Cb 0.00 -2.20 1.73 0.00 0.00 0.00 0.00 23.12 22.65 1a0j s ALA 55 CO 0.00 0.43 2.24 0.00 0.00 0.00 0.00 175.76 178.43 1a0j h ALA 56 N 5.38 1.61 0.00 0.00 0.00 -1.67 -1.45 119.26 123.13 1a0j h ALA 56 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 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 0.64 -0.00 0.00 -2.39 0.00 0.00 0.00 179.25 177.50 1a0j n HIS 57 N -3.96 0.00 1.07 0.00 1.44 -1.26 -1.78 115.22 110.72 1a0j n HIS 57 Ca -0.03 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.76 1a0j n HIS 57 Cb 0.09 -0.45 0.27 0.00 0.12 0.00 0.00 29.99 30.01 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 0.41 2.13 -3.90 0.00 9.36 -0.74 -5.02 117.16 119.40 1a0j n TYR 59 Ca 0.14 0.38 -0.11 0.00 3.32 0.00 0.00 57.90 61.63 1a0j n TYR 59 Cb 0.31 -2.48 -0.10 0.00 -0.63 0.00 0.00 39.34 36.43 1a0j n TYR 59 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1a0j s LYS 60 N 0.36 0.42 0.44 2.98 1.02 -1.26 -5.08 119.74 118.63 1a0j s LYS 60 Ca 0.75 -0.45 0.24 0.00 0.02 0.00 0.00 55.97 56.53 1a0j s LYS 60 Cb -0.70 0.17 0.46 0.00 -0.52 0.00 0.00 37.83 37.24 1a0j s LYS 60 CO 0.43 -0.09 1.65 0.66 -0.92 0.00 0.00 175.35 177.08 1a0j h SER 61 N 4.42 0.00 -3.19 2.83 4.64 -1.98 -3.41 113.55 116.86 1a0j h SER 61 Ca -0.31 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.49 1a0j h SER 61 Cb 1.20 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.92 1a0j h SER 61 CO 0.41 0.05 -0.80 -0.13 -0.87 0.00 0.00 176.83 175.48 1a0j s ARG 62 N -3.26 1.45 -0.04 4.77 1.81 -1.26 -4.79 118.95 117.63 1a0j s ARG 62 Ca 0.06 -0.22 0.03 0.00 -1.72 0.00 0.00 55.73 53.87 1a0j s ARG 62 Cb 0.06 -1.53 0.01 0.00 -0.45 0.00 0.00 34.95 33.03 1a0j s ARG 62 CO 0.66 -0.27 -0.11 0.42 -0.68 0.00 0.00 175.30 175.32 1a0j s ILE 63 N 1.73 0.94 -0.22 1.52 1.01 -1.26 -4.94 121.20 119.98 1a0j s ILE 63 Ca 0.05 -0.42 -0.14 0.00 0.00 0.00 0.00 60.65 60.14 1a0j s ILE 63 Cb -0.13 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 1a0j s ILE 63 CO -0.08 0.29 0.30 -1.58 0.00 0.00 0.00 174.94 173.87 1a0j s GLN 64 N 0.32 4.14 -0.18 2.79 0.74 -0.66 -0.59 119.66 126.22 1a0j s GLN 64 Ca -0.06 0.00 -0.11 0.00 0.05 0.00 0.00 55.36 55.24 1a0j s GLN 64 Cb -0.11 -3.53 -0.05 0.00 1.10 0.00 0.00 33.01 30.42 1a0j s GLN 64 CO 0.01 0.02 0.18 0.08 -0.55 0.00 0.00 175.29 175.03 1a0j s VAL 65 N 1.17 5.39 -0.13 1.34 1.01 0.76 -0.87 120.40 129.07 1a0j s VAL 65 Ca 0.14 0.29 -0.01 0.00 0.00 0.00 0.00 61.98 62.41 1a0j s VAL 65 Cb -0.14 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1a0j s VAL 65 CO 0.06 0.45 -0.11 -0.60 0.00 0.00 0.00 175.10 174.90 1a0j s ARG 66 N 0.22 3.36 0.15 2.72 3.00 -0.16 -0.72 118.95 127.53 1a0j s ARG 66 Ca 0.11 -0.65 0.09 0.00 -1.00 0.00 0.00 55.73 54.28 1a0j s ARG 66 Cb -0.12 -2.67 -0.04 0.00 0.00 0.00 0.00 34.95 32.12 1a0j s ARG 66 CO 0.00 0.26 -0.21 -0.51 0.00 0.00 0.00 175.30 174.85 1a0j s LEU 67 N 0.24 2.39 0.00 -0.88 1.43 -0.18 -1.27 118.68 120.41 1a0j s LEU 67 Ca -0.07 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.22 1a0j s LEU 67 Cb -0.15 -0.93 0.00 0.00 0.03 0.00 0.00 46.19 45.14 1a0j s LEU 67 CO 0.05 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.27 1a0j n GLY 69 N 0.53 0.79 3.37 -3.19 0.00 -1.26 -0.73 105.19 104.69 1a0j n GLY 69 Ca -0.15 -1.71 -0.45 0.00 0.00 0.00 0.00 46.02 43.71 1a0j n GLY 69 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1a0j n GLU 70 N 0.00 0.06 0.26 1.61 4.07 -1.26 -4.83 120.64 120.56 1a0j n GLU 70 Ca 0.00 0.02 0.17 0.00 -0.06 0.00 0.00 57.16 57.29 1a0j n GLU 70 Cb 0.00 -1.05 0.65 0.00 -0.06 0.00 0.00 31.44 30.98 1a0j n GLU 70 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1a0j h HIS 71 N 0.74 0.00 -3.54 4.31 3.86 -1.93 -3.38 115.15 115.21 1a0j h HIS 71 Ca -0.32 0.00 -0.70 0.00 -1.16 0.00 0.00 60.37 58.19 1a0j h HIS 71 Cb 1.44 0.00 -0.19 0.00 1.06 0.00 0.00 27.41 29.72 1a0j h HIS 71 CO 0.37 0.00 -0.28 1.21 0.86 0.00 0.00 177.93 180.09 1a0j s ASN 72 N -5.56 6.17 0.06 2.45 3.84 -1.26 -0.61 114.94 120.03 1a0j s ASN 72 Ca 0.02 -0.69 0.21 0.00 0.21 0.00 0.00 52.86 52.60 1a0j s ASN 72 Cb 0.09 -2.20 0.86 0.00 -0.55 0.00 0.00 41.25 39.45 1a0j s ASN 72 CO 0.53 -0.52 1.66 2.30 -2.79 0.00 0.00 177.10 178.28 1a0j n ILE 73 N 5.34 0.67 -0.08 -5.21 -6.64 0.39 -3.68 119.36 110.15 1a0j n ILE 73 Ca -0.08 0.13 -0.10 0.00 -1.77 0.00 0.00 62.75 60.93 1a0j n ILE 73 Cb 0.47 -0.86 -0.06 0.00 -1.44 0.00 0.00 39.64 37.76 1a0j n ILE 73 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1a0j h ALA 74 N 2.59 0.08 -1.54 -1.28 0.00 -1.92 -3.44 119.26 113.75 1a0j h ALA 74 Ca 0.00 -0.61 -0.53 0.00 0.00 0.00 0.00 54.91 53.76 1a0j h ALA 74 Cb 0.38 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 1a0j h ALA 74 CO 0.00 0.39 1.17 0.14 0.00 0.00 0.00 179.25 180.95 1a0j s VAL 75 N -2.14 3.65 -0.04 0.00 -7.23 -1.24 -4.95 120.40 108.45 1a0j s VAL 75 Ca -0.17 0.50 -0.03 0.00 -1.81 0.00 0.00 61.98 60.47 1a0j s VAL 75 Cb 0.02 -4.35 -0.04 0.00 0.56 0.00 0.00 36.38 32.57 1a0j s VAL 75 CO 0.35 -1.18 0.13 0.21 -0.31 0.00 0.00 175.10 174.30 1a0j s ASN 76 N 5.31 6.10 -0.43 4.85 3.84 -1.26 -4.88 114.94 128.47 1a0j s ASN 76 Ca 0.54 0.31 0.08 0.00 0.21 0.00 0.00 52.86 54.00 1a0j s ASN 76 Cb -0.11 -1.88 0.35 0.00 -0.55 0.00 0.00 41.25 39.06 1a0j s ASN 76 CO 0.23 0.31 1.18 -1.84 -2.79 0.00 0.00 177.10 174.19 1a0j n GLU 77 N 1.35 1.09 -1.15 0.43 0.28 -1.26 -4.96 120.64 116.42 1a0j n GLU 77 Ca -0.14 -2.03 -0.05 0.00 -0.16 0.00 0.00 57.16 54.78 1a0j n GLU 77 Cb 0.53 -0.71 -0.02 0.00 1.43 0.00 0.00 31.44 32.67 1a0j n GLU 77 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1a0j n GLY 78 N -0.02 0.54 0.15 -1.84 0.00 -1.26 -4.83 105.19 97.93 1a0j n GLY 78 Ca 0.04 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 1a0j n GLY 78 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1a0j h THR 79 N 0.00 1.27 -4.20 2.61 1.35 -1.92 -3.46 112.91 108.55 1a0j h THR 79 Ca -0.11 -0.96 -0.51 0.00 -0.55 0.00 0.00 66.41 64.28 1a0j h THR 79 Cb 1.01 1.42 0.11 0.00 -1.73 0.00 0.00 68.15 68.97 1a0j h THR 79 CO 0.16 0.30 0.37 -1.61 -0.25 0.00 0.00 175.52 174.49 1a0j s GLU 80 N -4.90 2.64 -0.05 4.72 2.02 -1.26 -4.46 118.70 117.42 1a0j s GLU 80 Ca -0.14 1.45 0.01 0.00 0.02 0.00 0.00 54.97 56.32 1a0j s GLU 80 Cb 0.07 -1.93 0.02 0.00 0.10 0.00 0.00 34.13 32.40 1a0j s GLU 80 CO 0.75 -1.39 -0.06 -0.65 0.02 0.00 0.00 175.26 173.94 1a0j s GLN 81 N -4.09 0.97 -0.27 1.61 -0.21 0.09 -4.97 119.66 112.79 1a0j s GLN 81 Ca 0.68 -0.15 -0.02 0.00 0.02 0.00 0.00 55.36 55.89 1a0j s GLN 81 Cb -0.22 -0.94 0.03 0.00 1.00 0.00 0.00 33.01 32.88 1a0j s GLN 81 CO 0.43 -0.08 -0.03 -0.06 -2.12 0.00 0.00 175.29 173.43 1a0j s PHE 82 N 0.93 3.13 -0.10 0.91 0.08 -1.26 -1.01 117.98 120.66 1a0j s PHE 82 Ca -0.11 -1.61 0.03 0.00 0.12 0.00 0.00 56.93 55.37 1a0j s PHE 82 Cb -0.14 -2.09 0.01 0.00 -0.57 0.00 0.00 43.02 40.22 1a0j s PHE 82 CO 0.00 -0.74 -0.20 0.42 -0.10 0.00 0.00 175.22 174.60 1a0j s ILE 83 N 1.32 1.80 0.46 0.64 1.01 0.10 -4.95 121.20 121.58 1a0j s ILE 83 Ca -0.01 -0.85 -0.20 0.00 0.00 0.00 0.00 60.65 59.58 1a0j s ILE 83 Cb -0.18 -1.59 -0.10 0.00 0.01 0.00 0.00 42.46 40.61 1a0j s ILE 83 CO -0.03 0.50 0.97 -1.81 0.00 0.00 0.00 174.94 174.57 1a0j s ASP 84 N 0.58 6.78 0.30 3.58 1.01 -1.26 -0.17 116.67 127.50 1a0j s ASP 84 Ca -0.14 1.69 -0.29 0.00 0.71 0.00 0.00 52.55 54.51 1a0j s ASP 84 Cb -0.17 -2.53 -0.10 0.00 1.01 0.00 0.00 42.92 41.13 1a0j s ASP 84 CO 0.05 -0.47 1.18 -0.94 0.21 0.00 0.00 175.17 175.19 1a0j s SER 85 N -2.39 7.07 -0.07 0.27 1.04 0.24 -1.03 113.70 118.84 1a0j s SER 85 Ca 0.62 2.43 0.13 0.00 0.48 0.00 0.00 55.95 59.61 1a0j s SER 85 Cb -0.10 -2.64 -0.19 0.00 0.10 0.00 0.00 66.02 63.20 1a0j s SER 85 CO 0.19 -0.30 0.18 0.55 0.98 0.00 0.00 173.24 174.83 1a0j n VAL 86 N 1.02 0.41 -3.87 5.02 3.14 0.13 -4.72 118.33 119.46 1a0j n VAL 86 Ca -0.01 -0.42 -0.12 0.00 -2.96 0.00 0.00 64.34 60.84 1a0j n VAL 86 Cb 0.44 -0.22 -0.13 0.00 -1.06 0.00 0.00 33.84 32.87 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 -2.65 0.11 -0.10 1.45 1.02 -1.18 -4.99 119.74 113.42 1a0j s LYS 87 Ca -0.06 -0.05 -0.02 0.00 0.02 0.00 0.00 55.97 55.87 1a0j s LYS 87 Cb 0.06 0.05 0.03 0.00 -0.52 0.00 0.00 37.83 37.46 1a0j s LYS 87 CO 0.55 -0.02 0.01 0.08 -0.92 0.00 0.00 175.35 175.05 1a0j s VAL 88 N -0.25 0.38 -0.27 3.17 1.01 -1.26 -0.67 120.40 122.51 1a0j s VAL 88 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 61.98 61.97 1a0j s VAL 88 Cb -0.02 -0.62 0.07 0.00 0.00 0.00 0.00 36.38 35.82 1a0j s VAL 88 CO 0.00 0.16 -0.02 -0.63 0.00 0.00 0.00 175.10 174.61 1a0j s ILE 89 N 1.96 1.72 0.67 2.22 1.01 -0.32 -5.00 121.20 123.46 1a0j s ILE 89 Ca 0.04 -1.57 -0.11 0.00 0.00 0.00 0.00 60.65 59.01 1a0j s ILE 89 Cb -0.13 -2.06 -0.01 0.00 0.01 0.00 0.00 42.46 40.26 1a0j s ILE 89 CO -0.06 -0.28 1.05 -0.04 0.00 0.00 0.00 174.94 175.61 1a0j s MET 90 N 1.26 3.19 0.35 2.79 -1.94 -1.26 -1.20 119.30 122.48 1a0j s MET 90 Ca -0.00 0.86 -0.29 0.00 -1.71 0.00 0.00 55.69 54.55 1a0j s MET 90 Cb -0.19 -2.03 -0.11 0.00 2.01 0.00 0.00 34.83 34.52 1a0j s MET 90 CO -0.09 -0.90 1.48 -1.58 -0.01 0.00 0.00 175.02 173.93 1a0j s HIS 91 N -3.11 2.70 0.54 -0.03 2.46 -0.61 -4.89 115.29 112.35 1a0j s HIS 91 Ca 0.57 1.11 0.20 0.00 0.47 0.00 0.00 55.06 57.41 1a0j s HIS 91 Cb -0.13 -3.98 1.42 0.00 -0.13 0.00 0.00 32.58 29.76 1a0j s HIS 91 CO 0.55 -2.96 2.17 -1.00 -2.47 0.00 0.00 174.74 171.02 1a0j h PRO 92 N 3.52 0.00 -0.53 2.88 0.13 -1.93 -2.46 132.00 133.61 1a0j h PRO 92 Ca -0.50 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.56 1a0j h PRO 92 Cb 1.23 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 1a0j h PRO 92 CO 0.68 0.00 0.08 0.43 -0.23 0.00 0.00 178.00 178.96 1a0j n SER 93 N -4.34 4.79 -4.71 1.44 7.64 -1.26 -5.01 113.62 112.17 1a0j n SER 93 Ca -0.02 -3.09 -0.43 0.00 1.01 0.00 0.00 58.87 56.33 1a0j n SER 93 Cb 0.12 -0.66 -0.03 0.00 -1.01 0.00 0.00 64.21 62.63 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 -0.02 2.57 -4.08 1.43 9.36 -0.93 -4.70 117.16 120.78 1a0j n TYR 94 Ca 0.30 0.25 -0.33 0.00 3.32 0.00 0.00 57.90 61.45 1a0j n TYR 94 Cb 1.17 -2.57 -0.15 0.00 -0.63 0.00 0.00 39.34 37.15 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 0.66 3.91 0.03 2.98 3.84 -0.51 -5.00 114.94 120.85 1a0j s ASN 95 Ca 0.70 -1.05 0.23 0.00 0.21 0.00 0.00 52.86 52.95 1a0j s ASN 95 Cb -0.57 -1.53 0.96 0.00 -0.55 0.00 0.00 41.25 39.56 1a0j s ASN 95 CO 0.43 -0.11 1.73 -1.54 -2.79 0.00 0.00 177.10 174.83 1a0j n SER 96 N 4.53 0.11 -0.02 -4.21 3.41 -1.26 -0.62 113.62 115.56 1a0j n SER 96 Ca -0.17 0.52 -0.15 0.00 -0.26 0.00 0.00 58.87 58.80 1a0j n SER 96 Cb 0.46 -0.54 -0.11 0.00 -0.26 0.00 0.00 64.21 63.76 1a0j n SER 96 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1a0j h ARG 97 N 0.00 0.25 -0.03 4.33 1.12 -1.97 -3.37 114.38 114.72 1a0j h ARG 97 Ca 0.00 -0.25 0.00 0.00 -1.11 0.00 0.00 59.98 58.62 1a0j h ARG 97 Cb 0.42 0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.44 1a0j h ARG 97 CO 0.00 0.94 0.00 0.27 -3.11 0.00 0.00 179.97 178.07 1a0j n ASN 98 N -4.44 1.86 -2.25 -3.80 6.94 -1.21 -4.99 115.26 107.37 1a0j n ASN 98 Ca -0.09 -1.44 -0.19 0.00 -0.02 0.00 0.00 54.58 52.84 1a0j n ASN 98 Cb 0.53 -0.01 -0.00 0.00 -2.36 0.00 0.00 39.78 37.94 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 0.53 -2.01 -4.76 -4.53 4.77 0.21 -4.99 117.00 106.23 1a0j n LEU 99 Ca 0.06 -0.07 -0.40 0.00 -0.03 0.00 0.00 56.01 55.57 1a0j n LEU 99 Cb 0.25 -2.69 -0.04 0.00 -2.33 0.00 0.00 43.42 38.61 1a0j n LEU 99 CO 0.06 -0.11 0.79 -0.62 -1.33 0.00 0.00 177.39 176.19 1a0j s ASP 100 N -2.28 7.26 -1.12 -1.43 2.15 -1.20 -3.16 116.67 116.90 1a0j s ASP 100 Ca 0.06 2.27 -0.03 0.00 0.43 0.00 0.00 52.55 55.28 1a0j s ASP 100 Cb -0.03 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 1a0j s ASP 100 CO 0.07 -0.15 0.95 0.59 -0.17 0.00 0.00 175.17 176.46 1a0j n ASN 101 N 1.24 -3.40 -4.31 -0.34 3.02 -1.26 -1.42 115.26 108.79 1a0j n ASN 101 Ca -0.01 -0.53 -0.43 0.00 -0.03 0.00 0.00 54.58 53.59 1a0j n ASN 101 Cb 0.45 -4.58 0.00 0.00 -0.61 0.00 0.00 39.78 35.04 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 -2.76 4.71 -3.73 6.41 2.03 -1.19 -4.35 116.55 117.67 1a0j n ASP 102 Ca -0.16 -2.92 -0.14 0.00 0.52 0.00 0.00 54.79 52.09 1a0j n ASP 102 Cb 0.62 -1.69 -0.09 0.00 -0.72 0.00 0.00 41.12 39.24 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 3.45 0.03 0.00 5.18 2.07 -1.26 -3.88 121.20 126.79 1a0j s ILE 103 Ca 0.50 -0.25 -0.12 0.00 -1.41 0.00 0.00 60.65 59.37 1a0j s ILE 103 Cb 0.06 -0.63 0.01 0.00 0.13 0.00 0.00 42.46 42.04 1a0j s ILE 103 CO 0.02 -0.14 0.24 -0.32 -1.91 0.00 0.00 174.94 172.83 1a0j s MET 104 N -0.74 0.62 -0.02 3.50 -2.45 -0.44 -1.58 119.30 118.19 1a0j s MET 104 Ca -0.08 -0.32 0.07 0.00 -1.25 0.00 0.00 55.69 54.10 1a0j s MET 104 Cb -0.04 0.27 -0.02 0.00 1.25 0.00 0.00 34.83 36.28 1a0j s MET 104 CO 0.03 -0.17 -0.22 -0.51 1.05 0.00 0.00 175.02 175.21 1a0j s LEU 105 N -1.46 2.29 -0.14 4.11 1.02 -0.34 -1.13 118.68 123.03 1a0j s LEU 105 Ca -0.13 -0.41 0.03 0.00 0.02 0.00 0.00 54.13 53.64 1a0j s LEU 105 Cb -0.05 -1.41 0.01 0.00 0.02 0.00 0.00 46.19 44.76 1a0j s LEU 105 CO 0.02 0.31 -0.22 -0.63 0.02 0.00 0.00 176.35 175.86 1a0j s ILE 106 N -0.69 2.07 -0.19 -0.59 1.01 0.38 -1.18 121.20 122.01 1a0j s ILE 106 Ca 0.11 -0.98 -0.15 0.00 0.00 0.00 0.00 60.65 59.63 1a0j s ILE 106 Cb -0.10 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 1a0j s ILE 106 CO 0.00 0.55 0.36 -0.75 0.00 0.00 0.00 174.94 175.10 1a0j s LYS 107 N 0.79 4.20 0.24 2.79 2.20 0.16 -1.20 119.74 128.92 1a0j s LYS 107 Ca -0.08 0.16 -0.30 0.00 -0.36 0.00 0.00 55.97 55.39 1a0j s LYS 107 Cb -0.16 -3.50 -0.09 0.00 -1.51 0.00 0.00 37.83 32.57 1a0j s LYS 107 CO -0.01 0.05 0.98 -0.51 -0.36 0.00 0.00 175.35 175.50 1a0j s LEU 108 N 1.03 4.62 0.06 5.43 1.43 -0.00 -0.69 118.68 130.55 1a0j s LEU 108 Ca 0.18 2.02 0.18 0.00 -1.03 0.00 0.00 54.13 55.47 1a0j s LEU 108 Cb -0.14 -3.61 0.75 0.00 0.03 0.00 0.00 46.19 43.22 1a0j s LEU 108 CO 0.07 0.09 1.56 -1.54 0.23 0.00 0.00 176.35 176.76 1a0j n SER 109 N 1.46 0.16 -3.69 2.29 3.41 -0.20 -4.69 113.62 112.37 1a0j n SER 109 Ca -0.02 0.54 -0.13 0.00 -0.26 0.00 0.00 58.87 59.00 1a0j n SER 109 Cb 0.47 -0.57 -0.07 0.00 -0.26 0.00 0.00 64.21 63.78 1a0j n SER 109 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1a0j s LYS 110 N -3.07 0.87 0.40 4.33 -2.85 -1.26 -5.02 119.74 113.14 1a0j s LYS 110 Ca 0.07 -0.35 -0.25 0.00 -1.00 0.00 0.00 55.97 54.44 1a0j s LYS 110 Cb 0.10 0.39 -0.08 0.00 -2.06 0.00 0.00 37.83 36.18 1a0j s LYS 110 CO 0.32 -0.29 1.15 -2.14 0.10 0.00 0.00 175.35 174.50 1a0j s PRO 111 N -2.30 4.07 0.47 1.78 0.02 -1.26 -4.84 135.00 132.94 1a0j s PRO 111 Ca -0.06 1.79 -0.21 0.00 0.02 0.00 0.00 61.00 62.54 1a0j s PRO 111 Cb -0.01 -2.66 -0.08 0.00 0.02 0.00 0.00 34.50 31.76 1a0j s PRO 111 CO -0.01 -0.29 1.05 0.00 -0.33 0.00 0.00 177.00 177.42 1a0j s ALA 112 N -1.44 2.90 -0.38 -1.55 0.00 -0.37 -5.00 121.76 115.92 1a0j s ALA 112 Ca 0.57 0.65 -0.25 0.00 0.00 0.00 0.00 51.96 52.93 1a0j s ALA 112 Cb -0.30 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.57 1a0j s ALA 112 CO 0.37 -0.33 0.88 -1.12 0.00 0.00 0.00 175.76 175.56 1a0j s SER 113 N -1.88 6.60 0.05 0.00 0.01 -1.26 -4.88 113.70 112.34 1a0j s SER 113 Ca 0.66 0.42 -0.22 0.00 1.31 0.00 0.00 55.95 58.12 1a0j s SER 113 Cb -0.18 -2.44 -0.06 0.00 0.21 0.00 0.00 66.02 63.55 1a0j s SER 113 CO 0.22 -0.85 0.64 -0.76 0.41 0.00 0.00 173.24 172.90 1a0j s LEU 114 N 3.40 4.48 0.00 2.44 1.02 -1.26 -4.70 118.68 124.06 1a0j s LEU 114 Ca 0.36 1.30 -0.04 0.00 0.02 0.00 0.00 54.13 55.77 1a0j s LEU 114 Cb -0.12 -3.02 0.01 0.00 0.02 0.00 0.00 46.19 43.09 1a0j s LEU 114 CO 0.19 0.15 0.18 -0.46 0.02 0.00 0.00 176.35 176.44 1a0j n ASN 115 N 2.30 -0.30 0.04 2.29 0.23 0.09 -4.96 115.26 114.94 1a0j n ASN 115 Ca -0.07 -1.16 0.21 0.00 -0.53 0.00 0.00 54.58 53.03 1a0j n ASN 115 Cb 0.50 0.49 0.73 0.00 -2.08 0.00 0.00 39.78 39.43 1a0j n ASN 115 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1a0j h SER 116 N 0.35 0.00 0.24 0.53 0.02 -2.01 -2.35 113.55 110.33 1a0j h SER 116 Ca -0.05 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.56 1a0j h SER 116 Cb 0.21 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.72 1a0j h SER 116 CO 0.06 0.00 -1.95 -1.22 -1.14 0.00 0.00 176.83 172.58 1a0j n TYR 117 N -3.98 1.01 -4.02 3.45 4.01 -1.26 -4.90 117.16 111.47 1a0j n TYR 117 Ca 0.09 0.27 -0.34 0.00 -0.16 0.00 0.00 57.90 57.76 1a0j n TYR 117 Cb 0.63 -1.15 -0.15 0.00 -0.31 0.00 0.00 39.34 38.36 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 -2.57 2.55 0.33 -0.72 1.01 -0.88 -4.59 120.40 115.52 1a0j s VAL 118 Ca -0.16 -1.11 0.03 0.00 0.00 0.00 0.00 61.98 60.74 1a0j s VAL 118 Cb 0.07 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1a0j s VAL 118 CO 0.78 0.24 0.15 -0.94 0.00 0.00 0.00 175.10 175.33 1a0j s SER 119 N 1.28 1.88 0.34 3.32 1.04 -0.71 -0.74 113.70 120.11 1a0j s SER 119 Ca -0.00 -1.57 0.07 0.00 0.48 0.00 0.00 55.95 54.92 1a0j s SER 119 Cb -0.16 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.31 1a0j s SER 119 CO -0.07 -0.88 0.37 0.42 0.98 0.00 0.00 173.24 174.07 1a0j s THR 120 N -3.49 3.75 0.11 2.02 -4.23 -1.26 -3.81 115.64 108.73 1a0j s THR 120 Ca 0.33 -1.21 0.09 0.00 -1.18 0.00 0.00 61.69 59.72 1a0j s THR 120 Cb 0.05 -3.28 -0.04 0.00 1.34 0.00 0.00 72.50 70.57 1a0j s THR 120 CO 0.17 -0.16 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.23 1a0j s VAL 121 N -2.25 2.91 0.33 2.29 1.01 -0.12 -4.82 120.40 119.74 1a0j s VAL 121 Ca 0.43 -1.44 -0.17 0.00 0.00 0.00 0.00 61.98 60.80 1a0j s VAL 121 Cb -0.07 -2.33 -0.09 0.00 0.00 0.00 0.00 36.38 33.89 1a0j s VAL 121 CO 0.29 0.12 0.78 0.00 0.00 0.00 0.00 175.10 176.28 1a0j s ALA 122 N -1.13 3.28 0.28 5.51 0.00 -1.20 -4.47 121.76 124.03 1a0j s ALA 122 Ca 0.18 0.13 -0.29 0.00 0.00 0.00 0.00 51.96 51.97 1a0j s ALA 122 Cb -0.11 -2.85 -0.10 0.00 0.00 0.00 0.00 23.12 20.07 1a0j s ALA 122 CO 0.10 0.29 1.11 -0.51 0.00 0.00 0.00 175.76 176.75 1a0j s LEU 123 N -2.89 4.54 0.36 0.00 1.43 -1.26 -0.74 118.68 120.11 1a0j s LEU 123 Ca 0.54 2.29 -0.28 0.00 -1.03 0.00 0.00 54.13 55.65 1a0j s LEU 123 Cb -0.11 -3.64 -0.10 0.00 0.03 0.00 0.00 46.19 42.37 1a0j s LEU 123 CO 0.17 -0.17 1.35 -2.16 0.23 0.00 0.00 176.35 175.78 1a0j s PRO 124 N -1.48 4.22 0.00 1.29 0.04 -1.26 -4.85 135.00 132.97 1a0j s PRO 124 Ca 0.45 2.30 0.22 0.00 0.04 0.00 0.00 61.00 64.00 1a0j s PRO 124 Cb -0.32 -2.99 -0.09 0.00 0.04 0.00 0.00 34.50 31.14 1a0j s PRO 124 CO 0.41 -0.33 1.00 0.43 0.04 0.00 0.00 177.00 178.56 1a0j n SER 125 N 0.59 1.65 -3.88 6.66 7.64 -1.26 -4.91 113.62 120.12 1a0j n SER 125 Ca 0.01 -1.32 -0.10 0.00 1.01 0.00 0.00 58.87 58.46 1a0j n SER 125 Cb 0.41 0.66 -0.09 0.00 -1.01 0.00 0.00 64.21 64.19 1a0j n SER 125 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1a0j s SER 127 N -2.62 0.09 0.57 6.43 1.04 -1.26 -5.16 113.70 112.79 1a0j s SER 127 Ca 0.14 -0.44 -0.16 0.00 0.48 0.00 0.00 55.95 55.98 1a0j s SER 127 Cb 0.17 0.27 -0.05 0.00 0.10 0.00 0.00 66.02 66.51 1a0j s SER 127 CO 0.66 -0.55 1.03 0.00 0.98 0.00 0.00 173.24 175.37 1a0j s ALA 129 N -2.54 3.45 0.36 0.00 0.00 -1.26 -5.07 121.76 116.70 1a0j s ALA 129 Ca 0.62 -0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.26 1a0j s ALA 129 Cb -0.14 -2.55 -0.02 0.00 0.00 0.00 0.00 23.12 20.41 1a0j s ALA 129 CO 0.36 0.08 0.54 -1.54 0.00 0.00 0.00 175.76 175.19 1a0j s SER 130 N -3.17 6.10 0.30 0.00 1.04 -1.26 -5.01 113.70 111.69 1a0j s SER 130 Ca 0.48 0.21 -0.28 0.00 0.48 0.00 0.00 55.95 56.84 1a0j s SER 130 Cb -0.10 -1.69 -0.14 0.00 0.10 0.00 0.00 66.02 64.19 1a0j s SER 130 CO 0.31 -0.41 1.10 -1.20 0.98 0.00 0.00 173.24 174.03 1a0j n SER 132 N -1.78 1.74 0.00 7.02 7.64 -1.26 -1.57 113.62 125.40 1a0j n SER 132 Ca -0.03 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1a0j n SER 132 Cb 0.57 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 1a0j n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a0j n GLY 133 N 1.16 2.99 3.77 0.23 0.00 0.98 -4.94 105.19 109.38 1a0j n GLY 133 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1a0j n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a0j s THR 134 N -2.16 2.05 -0.04 2.61 2.01 -0.61 -4.67 115.64 114.83 1a0j s THR 134 Ca 0.00 0.05 -0.11 0.00 0.31 0.00 0.00 61.69 61.94 1a0j s THR 134 Cb 0.00 -3.03 -0.05 0.00 0.01 0.00 0.00 72.50 69.43 1a0j s THR 134 CO 0.00 0.01 0.30 -0.13 -0.69 0.00 0.00 174.62 174.12 1a0j s ARG 135 N -2.22 3.72 0.29 4.92 0.52 -1.26 -1.47 118.95 123.44 1a0j s ARG 135 Ca 0.56 0.18 0.03 0.00 -0.52 0.00 0.00 55.73 55.98 1a0j s ARG 135 Cb -0.46 -3.19 -0.04 0.00 0.52 0.00 0.00 34.95 31.79 1a0j s ARG 135 CO 0.61 0.72 0.18 0.00 0.02 0.00 0.00 175.30 176.83 1a0j s LEU 137 N -3.32 1.69 0.09 0.00 2.96 -0.28 -1.06 118.68 118.75 1a0j s LEU 137 Ca 0.38 -0.34 0.04 0.00 -0.22 0.00 0.00 54.13 53.99 1a0j s LEU 137 Cb 0.05 -0.93 -0.04 0.00 0.50 0.00 0.00 46.19 45.77 1a0j s LEU 137 CO 0.19 0.04 0.03 -0.69 -1.32 0.00 0.00 176.35 174.60 1a0j s VAL 138 N 0.70 4.20 0.07 1.68 1.01 -0.59 -1.13 120.40 126.35 1a0j s VAL 138 Ca -0.13 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 60.87 1a0j s VAL 138 Cb -0.16 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 1a0j s VAL 138 CO 0.03 0.12 0.15 -0.94 0.00 0.00 0.00 175.10 174.47 1a0j s SER 139 N -2.33 0.17 0.00 3.32 1.04 -1.22 -1.34 113.70 113.35 1a0j s SER 139 Ca 0.27 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 56.04 1a0j s SER 139 Cb -0.12 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1a0j s SER 139 CO 0.20 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.35 1a0j n GLY 140 N 0.12 0.67 1.65 7.32 0.00 -0.67 -4.49 105.19 109.78 1a0j n GLY 140 Ca -0.16 -0.98 -0.01 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.42 1.94 -1.12 1.61 8.01 -1.26 -1.78 117.44 124.42 1a0j n TRP 141 Ca 0.00 -1.13 -0.11 0.00 -1.31 0.00 0.00 57.50 54.94 1a0j n TRP 141 Cb 0.00 -0.57 0.08 0.00 -2.01 0.00 0.00 31.31 28.82 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 -0.27 -1.74 3.70 6.99 0.00 -1.25 -4.33 105.19 108.28 1a0j n GLY 142 Ca 0.35 -1.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 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 -3.46 3.65 0.10 1.61 2.85 0.35 -3.14 115.26 117.22 1a0j n ASN 143 Ca 0.06 1.08 0.13 0.00 -0.11 0.00 0.00 54.58 55.74 1a0j n ASN 143 Cb 0.22 -1.52 0.43 0.00 1.24 0.00 0.00 39.78 40.14 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 3.57 0.74 -4.19 1.20 4.77 -0.44 -0.77 117.00 121.89 1a0j n LEU 144 Ca 0.16 0.58 -0.21 0.00 -0.03 0.00 0.00 56.01 56.50 1a0j n LEU 144 Cb 0.33 -0.35 -0.13 0.00 -2.33 0.00 0.00 43.42 40.94 1a0j n LEU 144 CO 0.64 -0.19 -0.48 -0.55 -1.33 0.00 0.00 177.39 175.47 1a0j s SER 145 N -4.40 1.93 0.00 -1.43 0.15 -1.26 -4.33 113.70 104.37 1a0j s SER 145 Ca 0.10 -0.52 0.27 0.00 0.70 0.00 0.00 55.95 56.50 1a0j s SER 145 Cb 0.13 -0.12 0.79 0.00 -1.71 0.00 0.00 66.02 65.10 1a0j s SER 145 CO 0.58 0.05 1.60 0.61 1.20 0.00 0.00 173.24 177.27 1a0j n GLY 146 N 1.71 -1.13 0.71 9.45 0.00 -1.26 -4.49 105.19 110.19 1a0j n GLY 146 Ca -0.18 -0.31 -0.07 0.00 0.00 0.00 0.00 46.02 45.46 1a0j n GLY 146 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a0j n SER 147 N -1.26 1.02 -4.63 1.61 7.64 -1.26 -4.71 113.62 112.03 1a0j n SER 147 Ca 0.08 0.16 -0.22 0.00 1.01 0.00 0.00 58.87 59.90 1a0j n SER 147 Cb 0.33 -0.38 0.10 0.00 -1.01 0.00 0.00 64.21 63.26 1a0j n SER 147 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1a0j n SER 148 N -3.62 1.54 -4.28 6.43 7.64 -1.26 -5.08 113.62 114.99 1a0j n SER 148 Ca -0.12 -2.24 -0.36 0.00 1.01 0.00 0.00 58.87 57.17 1a0j n SER 148 Cb 0.42 -0.58 -0.14 0.00 -1.01 0.00 0.00 64.21 62.90 1a0j n SER 148 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1a0j s SER 149 N -4.91 4.68 -0.13 6.43 0.01 -1.26 -4.48 113.70 114.04 1a0j s SER 149 Ca 0.64 -0.74 -0.05 0.00 1.31 0.00 0.00 55.95 57.11 1a0j s SER 149 Cb -0.04 -1.77 0.06 0.00 0.21 0.00 0.00 66.02 64.48 1a0j s SER 149 CO 0.42 -0.14 0.27 0.21 0.41 0.00 0.00 173.24 174.41 1a0j s ASN 150 N 1.42 0.27 -0.06 2.44 3.04 -1.26 -5.04 114.94 115.75 1a0j s ASN 150 Ca 0.02 0.60 0.03 0.00 0.04 0.00 0.00 52.86 53.55 1a0j s ASN 150 Cb -0.17 0.69 -0.02 0.00 -1.54 0.00 0.00 41.25 40.21 1a0j s ASN 150 CO -0.01 -0.23 -0.14 -0.31 -3.04 0.00 0.00 177.10 173.36 1a0j s TYR 151 N 2.31 2.71 0.36 0.43 2.02 -1.26 -1.33 117.35 122.60 1a0j s TYR 151 Ca 0.00 -0.24 -0.13 0.00 -0.37 0.00 0.00 57.07 56.34 1a0j s TYR 151 Cb -0.12 -1.66 -0.08 0.00 -0.40 0.00 0.00 41.96 39.71 1a0j s TYR 151 CO -0.09 0.12 0.76 -1.25 -1.57 0.00 0.00 175.55 173.52 1a0j s PRO 152 N -0.57 3.90 0.26 -1.71 0.04 -1.26 -4.98 135.00 130.68 1a0j s PRO 152 Ca 0.08 0.58 0.22 0.00 0.04 0.00 0.00 61.00 61.93 1a0j s PRO 152 Cb -0.11 -2.41 0.08 0.00 0.04 0.00 0.00 34.50 32.10 1a0j s PRO 152 CO 0.01 0.06 1.18 -0.44 0.04 0.00 0.00 177.00 177.85 1a0j h ASP 153 N 1.77 0.00 -3.30 6.66 3.32 -1.94 -3.46 116.42 119.47 1a0j h ASP 153 Ca -0.47 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 55.95 1a0j h ASP 153 Cb 1.18 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.55 1a0j h ASP 153 CO 0.65 0.02 -0.59 -0.89 -1.72 0.00 0.00 179.24 176.70 1a0j s THR 154 N -3.31 4.51 0.11 0.35 2.01 -1.26 -0.46 115.64 117.59 1a0j s THR 154 Ca 0.01 -0.13 -0.36 0.00 0.31 0.00 0.00 61.69 61.52 1a0j s THR 154 Cb 0.08 -3.02 -0.16 0.00 0.01 0.00 0.00 72.50 69.41 1a0j s THR 154 CO 0.76 0.47 1.39 -0.11 -0.69 0.00 0.00 174.62 176.44 1a0j n LEU 155 N 3.56 2.01 -4.82 4.42 7.94 0.22 -4.90 117.00 125.43 1a0j n LEU 155 Ca -0.17 1.11 -0.27 0.00 -1.11 0.00 0.00 56.01 55.57 1a0j n LEU 155 Cb 0.52 -1.25 -0.05 0.00 0.53 0.00 0.00 43.42 43.17 1a0j n LEU 155 CO 0.34 -0.86 -0.20 -0.13 -1.11 0.00 0.00 177.39 175.43 1a0j s ARG 156 N 0.54 3.00 0.07 1.96 1.81 -0.73 -2.08 118.95 123.52 1a0j s ARG 156 Ca 0.82 -0.78 0.06 0.00 -1.72 0.00 0.00 55.73 54.12 1a0j s ARG 156 Cb -0.88 -2.72 -0.03 0.00 -0.45 0.00 0.00 34.95 30.87 1a0j s ARG 156 CO 0.45 0.51 -0.17 0.00 -0.68 0.00 0.00 175.30 175.40 1a0j s LEU 158 N -1.62 1.08 -0.09 0.00 2.96 -0.45 -0.96 118.68 119.61 1a0j s LEU 158 Ca 0.03 0.14 -0.20 0.00 -0.22 0.00 0.00 54.13 53.88 1a0j s LEU 158 Cb -0.09 0.12 -0.04 0.00 0.50 0.00 0.00 46.19 46.68 1a0j s LEU 158 CO 0.03 -0.12 0.54 -1.81 -1.32 0.00 0.00 176.35 173.68 1a0j s ASP 159 N 0.92 6.80 -0.01 3.68 1.01 -1.26 -1.55 116.67 126.26 1a0j s ASP 159 Ca -0.07 0.95 -0.15 0.00 0.71 0.00 0.00 52.55 53.99 1a0j s ASP 159 Cb -0.10 -2.33 0.02 0.00 1.01 0.00 0.00 42.92 41.53 1a0j s ASP 159 CO -0.03 -0.00 0.31 -1.48 0.21 0.00 0.00 175.17 174.17 1a0j s LEU 160 N 0.51 0.86 0.23 1.23 2.34 -0.23 -4.96 118.68 118.65 1a0j s LEU 160 Ca 0.29 0.07 -0.07 0.00 0.06 0.00 0.00 54.13 54.48 1a0j s LEU 160 Cb -0.16 1.27 -0.06 0.00 -0.56 0.00 0.00 46.19 46.67 1a0j s LEU 160 CO 0.13 -0.45 0.51 -2.16 -1.06 0.00 0.00 176.35 173.31 1a0j s PRO 161 N -1.38 3.71 0.08 1.48 0.04 -1.26 -0.39 135.00 137.28 1a0j s PRO 161 Ca -0.13 0.11 -0.31 0.00 0.04 0.00 0.00 61.00 60.70 1a0j s PRO 161 Cb -0.05 -2.70 -0.07 0.00 0.04 0.00 0.00 34.50 31.73 1a0j s PRO 161 CO 0.04 0.32 1.28 0.42 0.04 0.00 0.00 177.00 179.10 1a0j s ILE 162 N -1.86 3.73 0.48 0.56 1.01 -0.54 -1.93 121.20 122.65 1a0j s ILE 162 Ca 0.45 1.24 -0.02 0.00 0.00 0.00 0.00 60.65 62.32 1a0j s ILE 162 Cb -0.11 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.55 1a0j s ILE 162 CO 0.25 0.10 0.74 -0.76 0.00 0.00 0.00 174.94 175.26 1a0j s LEU 163 N 1.06 3.58 0.57 2.97 1.43 -0.60 -0.02 118.68 127.68 1a0j s LEU 163 Ca 0.61 0.53 -0.15 0.00 -1.03 0.00 0.00 54.13 54.10 1a0j s LEU 163 Cb -0.33 -3.41 -0.06 0.00 0.03 0.00 0.00 46.19 42.43 1a0j s LEU 163 CO 0.30 -0.72 1.01 -0.94 0.23 0.00 0.00 176.35 176.23 1a0j s SER 164 N -4.20 6.31 0.38 2.29 1.04 -1.26 -4.65 113.70 113.61 1a0j s SER 164 Ca 0.49 1.57 0.09 0.00 0.48 0.00 0.00 55.95 58.57 1a0j s SER 164 Cb -0.10 -2.50 0.83 0.00 0.10 0.00 0.00 66.02 64.35 1a0j s SER 164 CO 0.41 -0.81 1.94 0.28 0.98 0.00 0.00 173.24 176.04 1a0j h SER 165 N 0.40 0.59 0.00 7.02 0.02 -1.97 -1.45 113.55 118.17 1a0j h SER 165 Ca -0.46 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1a0j h SER 165 Cb 1.19 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1a0j h SER 165 CO 0.61 0.36 -0.00 0.28 -1.14 0.00 0.00 176.83 176.93 1a0j h SER 166 N 0.66 -0.00 -0.89 3.07 0.02 -1.98 0.17 113.55 114.60 1a0j h SER 166 Ca 0.34 -0.31 0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1a0j h SER 166 Cb 0.46 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.94 1a0j h SER 166 CO -0.12 0.31 0.57 0.28 -1.14 0.00 0.00 176.83 176.73 1a0j h SER 167 N -0.31 0.93 -0.41 3.07 0.02 -1.81 0.77 113.55 115.81 1a0j h SER 167 Ca -0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1a0j h SER 167 Cb 0.31 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1a0j h SER 167 CO 0.00 0.63 0.09 0.00 -1.14 0.00 0.00 176.83 176.41 1a0j h ASN 169 N 0.52 0.00 -0.47 0.00 2.35 -0.32 -0.97 115.58 116.68 1a0j h ASN 169 Ca 0.13 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.78 1a0j h ASN 169 Cb 0.32 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 1a0j h ASN 169 CO 0.00 0.51 -0.09 0.28 -1.65 0.00 0.00 177.43 176.48 1a0j h SER 170 N 0.00 0.90 -0.42 5.81 0.02 -0.38 -2.88 113.55 116.60 1a0j h SER 170 Ca -0.01 -0.35 -0.12 0.00 -0.84 0.00 0.00 61.79 60.47 1a0j h SER 170 Cb 0.95 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 1a0j h SER 170 CO 0.07 1.04 -0.18 0.00 -1.14 0.00 0.00 176.83 176.61 1a0j h ALA 171 N 0.89 0.80 -2.25 3.77 0.00 -0.30 -3.38 119.26 118.79 1a0j h ALA 171 Ca 0.12 -0.37 -0.58 0.00 0.00 0.00 0.00 54.91 54.08 1a0j h ALA 171 Cb 0.63 -0.17 -0.40 0.00 0.00 0.00 0.00 17.79 17.85 1a0j h ALA 171 CO 0.04 0.66 -0.88 0.66 0.00 0.00 0.00 179.25 179.73 1a0j n TYR 172 N -4.12 1.07 -1.67 0.00 4.01 -0.43 -4.93 117.16 111.09 1a0j n TYR 172 Ca 0.01 -3.77 -0.43 0.00 -0.16 0.00 0.00 57.90 53.55 1a0j n TYR 172 Cb 0.43 -0.32 -0.03 0.00 -0.31 0.00 0.00 39.34 39.10 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 1.59 2.77 -0.99 -0.72 -0.02 -1.09 -1.34 135.00 135.19 1a0j n PRO 173 Ca 0.25 1.01 0.00 0.00 -2.02 0.00 0.00 63.50 62.74 1a0j n PRO 173 Cb 0.47 -2.95 0.00 0.00 -0.02 0.00 0.00 33.50 30.99 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 4.52 0.47 0.00 -1.23 0.00 -1.26 -4.89 105.19 102.80 1a0j n GLY 174 Ca 0.20 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.99 1.47 -3.77 1.61 6.02 -0.45 -5.00 117.38 114.26 1a0j n GLN 175 Ca 0.00 -0.32 -0.36 0.00 -0.01 0.00 0.00 57.00 56.31 1a0j n GLN 175 Cb 0.00 -0.81 -0.10 0.00 1.02 0.00 0.00 30.24 30.35 1a0j n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1a0j s ILE 176 N -0.30 5.09 0.60 5.09 -1.09 -1.25 -5.07 121.20 124.27 1a0j s ILE 176 Ca 0.00 0.08 0.07 0.00 -2.23 0.00 0.00 60.65 58.57 1a0j s ILE 176 Cb 0.00 -3.35 0.09 0.00 -1.58 0.00 0.00 42.46 37.62 1a0j s ILE 176 CO 0.00 0.38 0.82 0.42 -1.23 0.00 0.00 174.94 175.34 1a0j s THR 177 N 0.87 2.23 -1.05 2.92 -4.23 -1.26 -4.98 115.64 110.14 1a0j s THR 177 Ca 0.06 -0.89 0.14 0.00 -1.18 0.00 0.00 61.69 59.81 1a0j s THR 177 Cb -0.13 -2.33 0.13 0.00 1.34 0.00 0.00 72.50 71.50 1a0j s THR 177 CO 0.03 0.00 1.43 -1.54 -0.54 0.00 0.00 174.62 174.00 1a0j n SER 178 N -2.36 0.00 -1.61 3.99 3.41 -1.26 -2.47 113.62 113.33 1a0j n SER 178 Ca 0.15 0.45 0.07 0.00 -0.26 0.00 0.00 58.87 59.28 1a0j n SER 178 Cb 0.61 -0.47 0.34 0.00 -0.26 0.00 0.00 64.21 64.43 1a0j n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1a0j n ASN 179 N -1.47 4.78 -4.10 4.04 3.02 -1.26 -4.90 115.26 115.37 1a0j n ASN 179 Ca 0.04 -2.63 -0.15 0.00 -0.03 0.00 0.00 54.58 51.81 1a0j n ASN 179 Cb 0.15 -0.61 -0.12 0.00 -0.61 0.00 0.00 39.78 38.59 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 -2.23 0.62 0.06 3.52 -1.94 -1.03 -1.09 119.30 117.22 1a0j s MET 180 Ca 0.47 -0.82 -0.05 0.00 -1.71 0.00 0.00 55.69 53.58 1a0j s MET 180 Cb 0.33 -0.47 -0.02 0.00 2.01 0.00 0.00 34.83 36.69 1a0j s MET 180 CO 0.17 0.09 0.08 -0.59 -0.01 0.00 0.00 175.02 174.77 1a0j s PHE 181 N -1.34 0.32 0.05 -0.03 -0.71 -0.48 -4.79 117.98 111.01 1a0j s PHE 181 Ca -0.07 -0.79 0.00 0.00 -1.04 0.00 0.00 56.93 55.03 1a0j s PHE 181 Cb -0.10 -0.22 -0.04 0.00 -1.21 0.00 0.00 43.02 41.45 1a0j s PHE 181 CO 0.01 -0.45 0.17 0.00 -1.34 0.00 0.00 175.22 173.62 1a0j s ALA 183 N -1.45 -1.03 0.00 0.00 0.00 -0.37 -1.55 121.76 117.35 1a0j s ALA 183 Ca 0.33 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.83 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 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.11 1a0j n GLY 184 N 1.09 0.20 2.84 0.00 0.00 -0.81 -2.40 105.19 106.11 1a0j n GLY 184 Ca -0.21 -1.76 -0.21 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.09 0.65 -0.41 1.61 0.08 -1.26 -4.42 117.98 113.14 1a0j s PHE 184 Ca 0.00 -0.16 0.26 0.00 0.12 0.00 0.00 56.93 57.15 1a0j s PHE 184 Cb 0.00 -0.68 1.00 0.00 -0.57 0.00 0.00 43.02 42.78 1a0j s PHE 184 CO 0.00 -0.23 1.77 0.52 -0.10 0.00 0.00 175.22 177.17 1a0j h MET 185 N 7.62 0.00 0.00 0.44 2.86 -1.96 -1.76 114.93 122.13 1a0j h MET 185 Ca -0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1a0j h MET 185 Cb 1.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.80 1a0j h MET 185 CO 0.39 0.00 -0.10 1.05 1.06 0.00 0.00 176.91 179.32 1a0j h GLU 186 N 0.00 0.00 0.00 1.72 9.09 -1.95 0.12 114.58 123.56 1a0j h GLU 186 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1a0j h GLU 186 Cb 0.46 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.56 1a0j h GLU 186 CO 0.00 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.47 1a0j n GLY 187 N 1.29 -1.77 2.64 1.06 0.00 -0.66 -4.25 105.19 103.50 1a0j n GLY 187 Ca 0.05 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 2.19 2.88 -0.02 0.00 -0.20 -4.82 105.19 105.22 1a0j n GLY 188 Ca 0.00 -0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.69 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 0.50 -0.07 1.61 1.02 -1.26 -4.02 119.74 117.52 1a0j s LYS 188 Ca 0.00 -0.06 -0.32 0.00 0.02 0.00 0.00 55.97 55.61 1a0j s LYS 188 Cb 0.00 -0.57 0.12 0.00 -0.52 0.00 0.00 37.83 36.86 1a0j s LYS 188 CO 0.00 -0.04 1.15 0.34 -0.92 0.00 0.00 175.35 175.88 1a0j s ASP 189 N 0.64 -0.16 0.89 2.83 2.15 -0.50 -4.38 116.67 118.15 1a0j s ASP 189 Ca -0.07 -0.08 -0.14 0.00 0.43 0.00 0.00 52.55 52.68 1a0j s ASP 189 Cb -0.11 0.23 0.15 0.00 -0.30 0.00 0.00 42.92 42.89 1a0j s ASP 189 CO -0.01 -0.39 1.26 -0.94 -0.17 0.00 0.00 175.17 174.92 1a0j s SER 190 N -2.54 3.72 0.27 -0.34 1.04 -1.26 -0.21 113.70 114.37 1a0j s SER 190 Ca 0.10 0.48 -0.08 0.00 0.48 0.00 0.00 55.95 56.92 1a0j s SER 190 Cb 0.01 -0.71 0.03 0.00 0.10 0.00 0.00 66.02 65.45 1a0j s SER 190 CO -0.04 -2.37 0.50 0.00 0.98 0.00 0.00 173.24 172.31 1a0j n GLN 192 N -0.38 1.63 0.00 0.00 10.64 -1.26 -1.23 117.38 126.78 1a0j n GLN 192 Ca -0.05 0.58 0.00 0.00 -1.83 0.00 0.00 57.00 55.70 1a0j n GLN 192 Cb 0.41 -2.16 0.00 0.00 -0.86 0.00 0.00 30.24 27.63 1a0j n GLN 192 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1a0j n GLY 193 N 2.11 1.97 0.07 2.61 0.00 -1.26 -0.49 105.19 110.20 1a0j n GLY 193 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1a0j n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a0j h ASP 194 N 0.00 0.00 -1.83 1.61 3.32 -1.49 -3.31 116.42 114.72 1a0j h ASP 194 Ca 0.00 -0.20 -0.66 0.00 0.02 0.00 0.00 57.03 56.19 1a0j h ASP 194 Cb 0.00 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.63 1a0j h ASP 194 CO 0.00 0.10 0.15 -1.20 -1.72 0.00 0.00 179.24 176.57 1a0j n SER 195 N -2.20 0.95 0.00 6.45 7.64 -1.26 -1.46 113.62 123.74 1a0j n SER 195 Ca 0.02 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1a0j n SER 195 Cb 0.46 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 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 1.88 2.03 3.81 0.23 0.00 -0.10 -0.89 105.19 112.15 1a0j n GLY 196 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.09 1.64 0.26 -0.02 0.00 -0.53 -3.43 107.32 103.15 1a0j s GLY 197 Ca 0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 44.72 44.35 1a0j s GLY 197 CO 0.00 0.30 1.04 2.56 0.00 0.00 0.00 173.10 177.00 1a0j s PRO 198 N -5.11 4.72 -0.28 2.90 0.04 -1.26 -1.03 135.00 134.98 1a0j s PRO 198 Ca 0.59 1.68 0.02 0.00 0.04 0.00 0.00 61.00 63.34 1a0j s PRO 198 Cb -0.14 -3.23 0.06 0.00 0.04 0.00 0.00 34.50 31.23 1a0j s PRO 198 CO 0.55 0.31 -0.07 0.08 0.04 0.00 0.00 177.00 177.91 1a0j s VAL 199 N -1.09 2.36 -0.13 -0.36 1.01 -0.65 -3.39 120.40 118.15 1a0j s VAL 199 Ca 0.44 -1.66 0.00 0.00 0.00 0.00 0.00 61.98 60.76 1a0j s VAL 199 Cb -0.30 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 1a0j s VAL 199 CO 0.37 -0.10 -0.14 -0.69 0.00 0.00 0.00 175.10 174.54 1a0j s VAL 200 N 1.11 3.01 -0.12 2.92 1.01 -0.28 -0.85 120.40 127.19 1a0j s VAL 200 Ca -0.06 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 1a0j s VAL 200 Cb -0.20 -2.25 0.03 0.00 0.00 0.00 0.00 36.38 33.95 1a0j s VAL 200 CO -0.04 0.53 -0.08 0.00 0.00 0.00 0.00 175.10 175.50 1a0j n ASN 202 N 4.91 -1.61 -0.83 0.00 3.02 -1.26 -1.60 115.26 117.89 1a0j n ASN 202 Ca -0.13 -0.86 -0.11 0.00 -0.03 0.00 0.00 54.58 53.45 1a0j n ASN 202 Cb 0.50 -3.91 -0.05 0.00 -0.61 0.00 0.00 39.78 35.71 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 -1.62 1.18 3.10 7.41 0.00 -1.26 -5.01 105.19 108.98 1a0j n GLY 203 Ca -0.28 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.78 1.07 -0.45 1.61 -0.21 -0.63 -3.28 119.66 115.00 1a0j s GLN 204 Ca 0.00 -0.49 -0.28 0.00 0.02 0.00 0.00 55.36 54.61 1a0j s GLN 204 Cb 0.00 -1.03 -0.00 0.00 1.00 0.00 0.00 33.01 32.97 1a0j s GLN 204 CO 0.00 0.28 1.61 -1.17 -2.12 0.00 0.00 175.29 173.90 1a0j s LEU 209 N -0.35 3.48 -0.10 2.90 2.96 0.08 -0.92 118.68 126.73 1a0j s LEU 209 Ca 0.05 0.80 0.16 0.00 -0.22 0.00 0.00 54.13 54.92 1a0j s LEU 209 Cb -0.05 -3.28 -0.23 0.00 0.50 0.00 0.00 46.19 43.13 1a0j s LEU 209 CO -0.00 -1.73 0.20 0.00 -1.32 0.00 0.00 176.35 173.50 1a0j n GLN 210 N 8.49 0.98 -4.06 1.98 1.13 -0.03 -4.08 117.38 121.78 1a0j n GLN 210 Ca 0.18 -0.08 -0.08 0.00 -1.94 0.00 0.00 57.00 55.09 1a0j n GLN 210 Cb 0.48 -1.41 -0.09 0.00 0.11 0.00 0.00 30.24 29.33 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 -4.54 0.53 -0.06 1.08 0.00 -0.82 -1.82 107.32 101.69 1a0j s GLY 211 Ca -0.07 -1.17 0.05 0.00 0.00 0.00 0.00 44.72 43.53 1a0j s GLY 211 CO 0.69 -1.23 -0.21 0.14 0.00 0.00 0.00 173.10 172.49 1a0j s VAL 212 N -3.94 1.76 0.10 1.40 1.01 -1.05 -1.64 120.40 118.05 1a0j s VAL 212 Ca 0.11 -0.88 -0.31 0.00 0.00 0.00 0.00 61.98 60.90 1a0j s VAL 212 Cb 0.07 -1.51 -0.10 0.00 0.00 0.00 0.00 36.38 34.84 1a0j s VAL 212 CO -0.07 0.50 1.82 -0.69 0.00 0.00 0.00 175.10 176.66 1a0j s VAL 213 N 0.11 2.67 0.10 2.92 1.01 -0.19 -1.47 120.40 125.55 1a0j s VAL 213 Ca -0.08 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1a0j s VAL 213 Cb -0.14 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1a0j s VAL 213 CO 0.04 -0.00 0.00 -0.24 0.00 0.00 0.00 175.10 174.90 1a0j n SER 214 N 5.91 0.83 -3.01 3.32 2.88 -1.03 -0.92 113.62 121.59 1a0j n SER 214 Ca 0.18 0.15 -0.07 0.00 -1.33 0.00 0.00 58.87 57.80 1a0j n SER 214 Cb 0.39 -0.22 0.02 0.00 -0.75 0.00 0.00 64.21 63.65 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 -1.86 0.11 0.00 0.66 1.48 -0.94 -4.93 118.94 113.47 1a0j s TRP 215 Ca 0.00 -0.73 0.00 0.00 -1.06 0.00 0.00 56.10 54.31 1a0j s TRP 215 Cb 0.00 0.81 0.00 0.00 -1.16 0.00 0.00 33.47 33.12 1a0j s TRP 215 CO 0.00 -1.42 0.00 0.41 -4.06 0.00 0.00 176.95 171.88 1a0j n GLY 216 N -0.57 0.64 3.47 3.67 0.00 -1.26 -1.12 105.19 110.01 1a0j n GLY 216 Ca -0.07 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 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 3.13 0.00 1.61 1.51 -1.26 -4.91 117.35 115.43 1a0j s TYR 217 Ca 0.00 -0.44 0.00 0.00 -1.01 0.00 0.00 57.07 55.62 1a0j s TYR 217 Cb 0.00 -3.15 0.00 0.00 -0.11 0.00 0.00 41.96 38.70 1a0j s TYR 217 CO 0.00 -0.82 0.00 0.41 -1.11 0.00 0.00 175.55 174.03 1a0j n GLY 219 N 5.13 0.82 3.02 0.71 0.00 -1.26 -4.63 105.19 108.98 1a0j n GLY 219 Ca -0.07 -0.72 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 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 4.00 -0.29 -1.97 0.00 0.00 -1.26 -4.52 120.51 116.47 1a0j n ALA 221 Ca -0.23 0.19 -0.32 0.00 0.00 0.00 0.00 53.44 53.08 1a0j n ALA 221 Cb 0.54 -1.61 -0.04 0.00 0.00 0.00 0.00 19.45 18.33 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 -3.73 3.96 0.22 0.00 -0.21 -1.26 -1.03 119.66 117.61 1a0j s GLN 221 Ca 0.00 0.81 -0.30 0.00 0.02 0.00 0.00 55.36 55.89 1a0j s GLN 221 Cb 0.00 -2.25 -0.09 0.00 1.00 0.00 0.00 33.01 31.67 1a0j s GLN 221 CO 0.00 -0.10 1.29 -0.98 -2.12 0.00 0.00 175.29 173.38 1a0j s ARG 222 N -3.70 4.40 -0.97 2.91 1.70 -1.26 -2.26 118.95 119.77 1a0j s ARG 222 Ca 0.57 2.05 0.00 0.00 -0.47 0.00 0.00 55.73 57.88 1a0j s ARG 222 Cb -0.10 -3.18 0.00 0.00 -0.57 0.00 0.00 34.95 31.10 1a0j s ARG 222 CO 0.26 -0.21 0.00 0.09 -1.08 0.00 0.00 175.30 174.36 1a0j n ASN 223 N 2.32 -5.14 -3.49 -2.89 3.02 0.43 -4.92 115.26 104.59 1a0j n ASN 223 Ca 0.05 0.23 -0.27 0.00 -0.03 0.00 0.00 54.58 54.56 1a0j n ASN 223 Cb 0.43 -3.44 -0.09 0.00 -0.61 0.00 0.00 39.78 36.07 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 -1.35 1.70 -1.00 3.52 4.76 -0.96 -4.65 118.16 120.17 1a0j n LYS 224 Ca -0.09 -4.15 -0.30 0.00 -2.87 0.00 0.00 58.31 50.90 1a0j n LYS 224 Cb 0.47 -1.98 0.16 0.00 -1.84 0.00 0.00 35.03 31.84 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 -1.65 0.83 0.41 1.97 0.04 -1.26 -4.36 135.00 130.98 1a0j s PRO 225 Ca 0.34 0.95 -0.24 0.00 0.04 0.00 0.00 61.00 62.10 1a0j s PRO 225 Cb 0.09 -1.75 -0.09 0.00 0.04 0.00 0.00 34.50 32.79 1a0j s PRO 225 CO -0.09 -2.57 1.06 0.20 0.04 0.00 0.00 177.00 175.64 1a0j s GLY 226 N -3.13 2.74 -0.09 0.56 0.00 -1.01 -4.66 107.32 101.73 1a0j s GLY 226 Ca 0.65 0.73 0.00 0.00 0.00 0.00 0.00 44.72 46.10 1a0j s GLY 226 CO 0.58 1.16 -0.07 0.14 0.00 0.00 0.00 173.10 174.91 1a0j s VAL 227 N -1.65 3.63 0.04 1.40 1.01 -0.28 -1.23 120.40 123.33 1a0j s VAL 227 Ca 0.58 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 62.12 1a0j s VAL 227 Cb -0.23 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 1a0j s VAL 227 CO 0.28 0.57 -0.13 -0.31 0.00 0.00 0.00 175.10 175.51 1a0j s TYR 228 N -0.46 1.14 0.06 5.22 2.02 0.41 -2.22 117.35 123.52 1a0j s TYR 228 Ca 0.07 -0.36 -0.31 0.00 -0.37 0.00 0.00 57.07 56.10 1a0j s TYR 228 Cb -0.12 -0.68 -0.06 0.00 -0.40 0.00 0.00 41.96 40.70 1a0j s TYR 228 CO 0.02 0.02 1.24 0.99 -1.57 0.00 0.00 175.55 176.26 1a0j s THR 229 N -0.88 3.89 -0.90 -0.71 2.01 -0.54 -1.38 115.64 117.13 1a0j s THR 229 Ca 0.00 1.35 -0.25 0.00 0.31 0.00 0.00 61.69 63.11 1a0j s THR 229 Cb -0.08 -3.87 0.04 0.00 0.01 0.00 0.00 72.50 68.61 1a0j s THR 229 CO 0.01 0.10 1.39 -0.75 -0.69 0.00 0.00 174.62 174.68 1a0j s LYS 230 N 1.18 3.41 0.45 4.92 2.20 -0.25 -2.52 119.74 129.14 1a0j s LYS 230 Ca 0.60 -0.75 0.16 0.00 -0.36 0.00 0.00 55.97 55.62 1a0j s LYS 230 Cb -0.31 -4.88 1.06 0.00 -1.51 0.00 0.00 37.83 32.19 1a0j s LYS 230 CO 0.29 -2.20 1.99 0.28 -0.36 0.00 0.00 175.35 175.35 1a0j h VAL 231 N 6.50 1.05 0.00 4.02 2.07 -1.67 -2.31 116.25 125.92 1a0j h VAL 231 Ca 0.01 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1a0j h VAL 231 Cb 1.03 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1a0j h VAL 231 CO 1.37 0.18 0.00 0.00 0.02 0.00 0.00 177.57 179.14 1a0j n ASN 233 N -2.85 0.00 -0.43 0.00 3.02 -0.87 -3.56 115.26 110.57 1a0j n ASN 233 Ca -0.00 0.44 0.04 0.00 -0.03 0.00 0.00 54.58 55.03 1a0j n ASN 233 Cb 0.19 -0.48 0.11 0.00 -0.61 0.00 0.00 39.78 39.00 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 -1.48 0.33 -0.32 3.10 4.01 -0.01 -4.75 117.16 118.05 1a0j n TYR 234 Ca 0.06 -0.55 0.02 0.00 -0.16 0.00 0.00 57.90 57.27 1a0j n TYR 234 Cb 0.24 -0.06 0.16 0.00 -0.31 0.00 0.00 39.34 39.37 1a0j n TYR 234 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1a0j h ARG 235 N 1.25 0.92 -0.09 -0.72 2.43 -1.61 0.16 114.38 116.72 1a0j h ARG 235 Ca 0.00 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.01 1a0j h ARG 235 Cb 0.73 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1a0j h ARG 235 CO 0.02 0.61 -0.33 0.77 -1.51 0.00 0.00 179.97 179.52 1a0j h SER 236 N 0.95 0.46 -0.50 -3.80 0.02 -1.89 -1.64 113.55 107.15 1a0j h SER 236 Ca 0.40 -0.62 0.01 0.00 -0.84 0.00 0.00 61.79 60.74 1a0j h SER 236 Cb 0.26 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1a0j h SER 236 CO -0.21 1.00 0.33 -0.25 -1.14 0.00 0.00 176.83 176.56 1a0j h TRP 237 N -0.06 0.62 -0.10 3.45 7.01 -1.68 -0.76 115.95 124.43 1a0j h TRP 237 Ca -0.02 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1a0j h TRP 237 Cb 0.97 -0.21 -0.00 0.00 -2.10 0.00 0.00 29.16 27.81 1a0j h TRP 237 CO 0.12 0.39 0.06 0.82 -2.79 0.00 0.00 178.44 177.04 1a0j h ILE 238 N 0.67 1.04 -0.41 2.65 2.04 -0.73 -0.08 117.51 122.69 1a0j h ILE 238 Ca 0.18 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.98 1a0j h ILE 238 Cb -0.08 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 1a0j h ILE 238 CO -0.04 0.04 0.20 0.28 0.00 0.00 0.00 178.15 178.63 1a0j h SER 239 N 0.12 0.29 -0.44 1.72 0.02 -1.04 -0.88 113.55 113.34 1a0j h SER 239 Ca 0.04 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 1a0j h SER 239 Cb 0.01 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1a0j h SER 239 CO -0.01 0.21 -0.02 0.28 -1.14 0.00 0.00 176.83 176.15 1a0j h SER 240 N 0.41 0.78 -0.43 3.07 0.02 -1.06 -0.48 113.55 115.86 1a0j h SER 240 Ca 0.18 -0.32 -0.08 0.00 -0.84 0.00 0.00 61.79 60.72 1a0j h SER 240 Cb 0.09 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1a0j h SER 240 CO -0.13 0.91 -0.06 0.74 -1.14 0.00 0.00 176.83 177.16 1a0j h THR 241 N 0.63 1.27 -0.75 -2.27 2.02 -0.79 -1.48 112.91 111.53 1a0j h THR 241 Ca 0.12 -1.13 -0.04 0.00 0.77 0.00 0.00 66.41 66.12 1a0j h THR 241 Cb 0.53 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 1a0j h THR 241 CO 0.03 0.39 0.29 0.24 0.37 0.00 0.00 175.52 176.84 1a0j h MET 242 N 0.63 1.12 -0.29 6.66 2.86 -1.13 -2.80 114.93 121.99 1a0j h MET 242 Ca 0.12 -0.21 -0.06 0.00 -2.06 0.00 0.00 59.70 57.49 1a0j h MET 242 Cb 0.57 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 1a0j h MET 242 CO 0.03 0.92 -0.09 0.77 1.06 0.00 0.00 176.91 179.60 1a0j h SER 243 N 1.08 0.45 -0.31 1.22 0.02 -0.88 -3.19 113.55 111.94 1a0j h SER 243 Ca 0.25 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1a0j h SER 243 Cb 0.22 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1a0j h SER 243 CO -0.02 0.59 0.00 -1.20 -1.14 0.00 0.00 176.83 175.06 1a0j n SER 244 N -4.23 3.03 0.00 3.07 7.64 -0.58 -5.08 113.62 117.47 1a0j n SER 244 Ca 0.01 -1.93 0.00 0.00 1.01 0.00 0.00 58.87 57.95 1a0j n SER 244 Cb 0.30 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1a0j n SER 244 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62