#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 5.34 0.00 1.39 1.01 0.58 -4.15 120.40 124.57 1a0j s VAL 17 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1a0j s VAL 17 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1a0j s VAL 17 CO 0.00 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1a0j n GLY 18 N 4.40 0.43 0.00 4.51 0.00 -1.26 -1.45 105.19 111.82 1a0j n GLY 18 Ca -0.14 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.47 1.73 3.18 -0.02 0.00 -1.26 -4.90 105.19 101.45 1a0j n GLY 19 Ca 0.00 -1.92 -0.08 0.00 0.00 0.00 0.00 46.02 44.01 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 2.28 0.40 0.09 1.61 1.13 -0.28 -4.93 117.35 117.64 1a0j s TYR 20 Ca 0.00 -0.86 -0.31 0.00 -1.41 0.00 0.00 57.07 54.49 1a0j s TYR 20 Cb 0.00 -0.23 -0.07 0.00 -1.10 0.00 0.00 41.96 40.57 1a0j s TYR 20 CO 0.00 -0.51 1.31 -1.21 -2.51 0.00 0.00 175.55 172.64 1a0j s GLU 21 N -3.92 4.36 0.43 -3.49 2.02 -1.26 -0.36 118.70 116.49 1a0j s GLU 21 Ca 0.10 1.94 -0.26 0.00 0.02 0.00 0.00 54.97 56.77 1a0j s GLU 21 Cb 0.06 -3.31 -0.09 0.00 0.10 0.00 0.00 34.13 30.90 1a0j s GLU 21 CO -0.08 -0.37 1.42 0.00 0.02 0.00 0.00 175.26 176.25 1a0j s ARG 23 N -2.36 1.77 0.28 0.00 1.81 -1.26 -4.92 118.95 114.27 1a0j s ARG 23 Ca 0.59 1.67 0.01 0.00 -1.72 0.00 0.00 55.73 56.29 1a0j s ARG 23 Cb -0.43 -1.80 0.60 0.00 -0.45 0.00 0.00 34.95 32.86 1a0j s ARG 23 CO 0.56 -2.09 1.78 1.57 -0.68 0.00 0.00 175.30 176.44 1a0j h LYS 24 N -0.85 0.71 0.00 3.54 2.10 -2.01 -2.26 116.57 117.79 1a0j h LYS 24 Ca -0.46 -0.04 -0.10 0.00 -2.00 0.00 0.00 60.65 58.05 1a0j h LYS 24 Cb 1.29 -0.16 -0.02 0.00 -0.90 0.00 0.00 32.23 32.44 1a0j h LYS 24 CO 0.47 0.47 -0.63 -0.97 -2.00 0.00 0.00 179.45 176.79 1a0j h ASN 25 N 0.73 0.00 -3.65 7.07 -0.00 -1.92 -3.46 115.58 114.36 1a0j h ASN 25 Ca 0.50 0.00 -0.56 0.00 -0.00 0.00 0.00 56.30 56.24 1a0j h ASN 25 Cb 0.70 0.00 0.13 0.00 -0.00 0.00 0.00 38.32 39.15 1a0j h ASN 25 CO -0.35 0.44 0.48 -1.20 -0.00 0.00 0.00 177.43 176.80 1a0j n SER 26 N -3.13 2.43 -3.90 1.15 7.64 -0.85 -3.13 113.62 113.83 1a0j n SER 26 Ca 0.00 1.06 -0.26 0.00 1.01 0.00 0.00 58.87 60.68 1a0j n SER 26 Cb 0.72 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 1a0j n SER 26 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a0j n ALA 27 N -0.50 -1.84 1.16 -0.43 0.00 -1.26 -4.79 120.51 112.85 1a0j n ALA 27 Ca 0.08 -0.15 0.13 0.00 0.00 0.00 0.00 53.44 53.50 1a0j n ALA 27 Cb 0.41 -2.23 0.65 0.00 0.00 0.00 0.00 19.45 18.28 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 -2.95 0.00 -0.05 0.00 3.41 -1.18 -2.33 113.62 110.50 1a0j n SER 28 Ca -0.22 0.14 0.14 0.00 -0.26 0.00 0.00 58.87 58.67 1a0j n SER 28 Cb 0.64 -0.37 0.63 0.00 -0.26 0.00 0.00 64.21 64.85 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 -2.11 7.33 0.18 -1.25 -1.98 117.16 117.96 1a0j n TYR 29 Ca 0.10 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.47 1a0j n TYR 29 Cb 0.26 -0.26 -0.03 0.00 -0.38 0.00 0.00 39.34 38.93 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 -2.62 4.32 0.09 -3.48 2.00 -0.99 -1.20 119.66 117.78 1a0j s GLN 30 Ca 0.25 2.18 0.08 0.00 -2.00 0.00 0.00 55.36 55.87 1a0j s GLN 30 Cb 0.20 -3.17 -0.04 0.00 0.80 0.00 0.00 33.01 30.80 1a0j s GLN 30 CO 0.50 -0.37 -0.18 0.00 -0.50 0.00 0.00 175.29 174.73 1a0j s ALA 31 N 0.31 2.66 -0.17 1.58 0.00 -0.13 -4.41 121.76 121.59 1a0j s ALA 31 Ca 0.60 -1.29 -0.06 0.00 0.00 0.00 0.00 51.96 51.20 1a0j s ALA 31 Cb -0.39 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 1a0j s ALA 31 CO 0.38 0.59 0.03 0.45 0.00 0.00 0.00 175.76 177.21 1a0j s SER 32 N -1.89 5.40 -0.17 0.00 0.15 -0.16 -2.06 113.70 114.96 1a0j s SER 32 Ca 0.17 0.03 -0.13 0.00 0.70 0.00 0.00 55.95 56.71 1a0j s SER 32 Cb -0.11 -1.91 -0.05 0.00 -1.71 0.00 0.00 66.02 62.25 1a0j s SER 32 CO 0.08 0.18 0.26 -0.76 1.20 0.00 0.00 173.24 174.20 1a0j s LEU 33 N 0.34 4.23 0.05 3.45 1.43 0.05 -1.45 118.68 126.77 1a0j s LEU 33 Ca 0.01 0.43 0.04 0.00 -1.03 0.00 0.00 54.13 53.58 1a0j s LEU 33 Cb -0.13 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.76 1a0j s LEU 33 CO 0.01 0.11 -0.11 -1.10 0.23 0.00 0.00 176.35 175.49 1a0j s GLN 34 N 0.51 0.68 -0.45 1.70 -0.21 -0.12 -1.22 119.66 120.55 1a0j s GLN 34 Ca 0.14 -0.80 0.06 0.00 0.02 0.00 0.00 55.36 54.78 1a0j s GLN 34 Cb -0.13 -0.58 0.19 0.00 1.00 0.00 0.00 33.01 33.50 1a0j s GLN 34 CO 0.03 0.12 0.54 0.45 -2.12 0.00 0.00 175.29 174.32 1a0j n SER 37 N 1.53 -1.63 0.00 5.90 2.88 -1.26 -1.37 113.62 119.67 1a0j n SER 37 Ca -0.21 -2.68 0.00 0.00 -1.33 0.00 0.00 58.87 54.65 1a0j n SER 37 Cb 0.55 0.43 0.00 0.00 -0.75 0.00 0.00 64.21 64.44 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 2.58 2.28 3.94 0.46 0.00 -1.26 -4.82 105.19 108.36 1a0j n GLY 38 Ca 0.23 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 1a0j n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1a0j s TYR 39 N 0.00 3.49 0.21 1.61 -0.85 -1.26 -5.07 117.35 115.48 1a0j s TYR 39 Ca 0.00 0.35 -0.31 0.00 -0.52 0.00 0.00 57.07 56.60 1a0j s TYR 39 Cb 0.00 -1.89 -0.10 0.00 0.38 0.00 0.00 41.96 40.35 1a0j s TYR 39 CO 0.00 0.16 1.47 -1.58 -1.52 0.00 0.00 175.55 174.09 1a0j s HIS 40 N -2.24 3.05 0.00 -3.49 5.65 -1.26 -4.27 115.29 112.73 1a0j s HIS 40 Ca 0.40 0.90 0.00 0.00 0.25 0.00 0.00 55.06 56.61 1a0j s HIS 40 Cb -0.10 -3.84 0.00 0.00 -1.18 0.00 0.00 32.58 27.46 1a0j s HIS 40 CO 0.35 -2.86 0.00 1.97 -0.65 0.00 0.00 174.74 173.55 1a0j n PHE 41 N 2.97 0.00 -3.64 3.88 -1.74 -0.36 -4.96 117.46 113.61 1a0j n PHE 41 Ca 0.09 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.89 1a0j n PHE 41 Cb 0.40 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.38 1a0j n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1a0j n GLY 43 N -0.41 2.07 3.93 0.00 0.00 0.24 -0.77 105.19 110.25 1a0j n GLY 43 Ca -0.11 -2.24 -0.01 0.00 0.00 0.00 0.00 46.02 43.66 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 -4.63 0.02 -0.05 -0.02 0.00 -0.87 -3.61 107.32 98.14 1a0j s GLY 44 Ca 0.58 -0.18 -0.06 0.00 0.00 0.00 0.00 44.72 45.06 1a0j s GLY 44 CO 0.37 3.75 0.16 -1.35 0.00 0.00 0.00 173.10 176.04 1a0j s SER 45 N -3.57 -0.15 -0.26 1.64 1.04 -0.60 -0.96 113.70 110.84 1a0j s SER 45 Ca 0.25 0.27 -0.29 0.00 0.48 0.00 0.00 55.95 56.66 1a0j s SER 45 Cb -0.02 0.33 -0.01 0.00 0.10 0.00 0.00 66.02 66.42 1a0j s SER 45 CO 0.03 -0.10 1.34 -0.22 0.98 0.00 0.00 173.24 175.27 1a0j s LEU 46 N -0.09 3.95 0.00 2.42 2.96 -0.34 -1.19 118.68 126.39 1a0j s LEU 46 Ca -0.02 1.37 0.14 0.00 -0.22 0.00 0.00 54.13 55.41 1a0j s LEU 46 Cb -0.02 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.10 1a0j s LEU 46 CO 0.00 -1.04 0.75 2.30 -1.32 0.00 0.00 176.35 177.05 1a0j n ILE 47 N 6.05 0.00 -3.80 6.68 -5.35 -0.32 -1.11 119.36 121.51 1a0j n ILE 47 Ca 0.15 -0.32 -0.05 0.00 -0.27 0.00 0.00 62.75 62.26 1a0j n ILE 47 Cb 0.46 1.14 -0.01 0.00 -1.74 0.00 0.00 39.64 39.49 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 -1.84 -0.15 0.36 7.28 1.04 -1.19 -4.67 113.70 114.53 1a0j s SER 48 Ca 0.11 -0.57 0.26 0.00 0.48 0.00 0.00 55.95 56.23 1a0j s SER 48 Cb 0.11 0.59 1.26 0.00 0.10 0.00 0.00 66.02 68.08 1a0j s SER 48 CO 0.40 -1.10 1.79 0.77 0.98 0.00 0.00 173.24 176.07 1a0j h SER 49 N 2.00 0.00 0.00 7.02 4.64 -1.95 -3.03 113.55 122.23 1a0j h SER 49 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 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 0.28 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.59 1a0j n THR 50 N -2.42 0.22 -4.90 2.95 -2.24 -1.26 -0.63 114.28 106.00 1a0j n THR 50 Ca -0.00 -0.53 -0.26 0.00 -2.27 0.00 0.00 64.05 60.99 1a0j n THR 50 Cb 0.14 1.01 -0.15 0.00 -2.10 0.00 0.00 70.33 69.22 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 -0.22 1.74 -0.03 4.78 0.52 -1.15 -0.18 118.94 124.41 1a0j s TRP 51 Ca 0.00 -0.34 0.06 0.00 0.02 0.00 0.00 56.10 55.84 1a0j s TRP 51 Cb 0.00 -1.11 -0.01 0.00 -1.15 0.00 0.00 33.47 31.20 1a0j s TRP 51 CO 0.00 -0.01 -0.20 0.08 0.02 0.00 0.00 176.95 176.84 1a0j s VAL 52 N -0.51 1.61 -0.02 4.03 1.01 -0.06 -1.17 120.40 125.28 1a0j s VAL 52 Ca 0.07 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1a0j s VAL 52 Cb -0.08 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1a0j s VAL 52 CO -0.00 0.46 -0.04 0.68 0.00 0.00 0.00 175.10 176.19 1a0j s VAL 53 N -0.27 3.88 0.00 2.92 -7.23 -0.34 -0.78 120.40 118.58 1a0j s VAL 53 Ca 0.03 -0.61 0.00 0.00 -1.81 0.00 0.00 61.98 59.58 1a0j s VAL 53 Cb -0.10 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.17 1a0j s VAL 53 CO 0.01 0.45 0.00 -0.24 -0.31 0.00 0.00 175.10 175.01 1a0j n SER 54 N 1.70 0.00 -4.82 4.85 2.88 0.09 -1.56 113.62 116.76 1a0j n SER 54 Ca -0.16 -0.31 -0.36 0.00 -1.33 0.00 0.00 58.87 56.71 1a0j n SER 54 Cb 0.53 0.00 -0.07 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 -1.76 3.78 0.54 -1.46 0.00 -1.26 -1.01 121.76 120.60 1a0j s ALA 55 Ca 0.00 -0.60 0.23 0.00 0.00 0.00 0.00 51.96 51.59 1a0j s ALA 55 Cb 0.00 -2.10 1.43 0.00 0.00 0.00 0.00 23.12 22.45 1a0j s ALA 55 CO 0.00 0.43 2.08 0.00 0.00 0.00 0.00 175.76 178.27 1a0j h ALA 56 N 5.58 2.14 0.00 0.00 0.00 -1.69 -1.17 119.26 124.12 1a0j h ALA 56 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1a0j h ALA 56 Cb 1.20 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1a0j h ALA 56 CO 0.65 -0.33 0.00 -2.39 0.00 0.00 0.00 179.25 177.18 1a0j n HIS 57 N -4.28 0.13 1.08 0.00 1.44 -1.26 -1.41 115.22 110.92 1a0j n HIS 57 Ca 0.03 0.05 0.08 0.00 -2.01 0.00 0.00 57.72 55.87 1a0j n HIS 57 Cb 0.35 -0.58 0.26 0.00 0.12 0.00 0.00 29.99 30.15 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 0.39 1.75 -3.91 0.00 9.36 -0.50 -5.01 117.16 119.23 1a0j n TYR 59 Ca 0.14 0.54 -0.10 0.00 3.32 0.00 0.00 57.90 61.79 1a0j n TYR 59 Cb 0.30 -2.38 -0.11 0.00 -0.63 0.00 0.00 39.34 36.52 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 -0.22 0.30 0.22 2.98 1.02 -1.26 -5.07 119.74 117.70 1a0j s LYS 60 Ca 0.72 -0.37 0.26 0.00 0.02 0.00 0.00 55.97 56.60 1a0j s LYS 60 Cb -0.76 0.12 0.86 0.00 -0.52 0.00 0.00 37.83 37.52 1a0j s LYS 60 CO 0.50 -0.06 1.76 -1.13 -0.92 0.00 0.00 175.35 175.50 1a0j n SER 61 N 1.93 0.77 -3.75 2.83 3.41 -1.26 -4.54 113.62 113.01 1a0j n SER 61 Ca -0.21 0.60 -0.23 0.00 -0.26 0.00 0.00 58.87 58.77 1a0j n SER 61 Cb 0.56 -0.79 -0.17 0.00 -0.26 0.00 0.00 64.21 63.54 1a0j n SER 61 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1a0j s ARG 62 N -3.15 0.52 -0.03 4.33 1.81 -1.26 -4.83 118.95 116.33 1a0j s ARG 62 Ca 0.09 0.09 0.06 0.00 -1.72 0.00 0.00 55.73 54.25 1a0j s ARG 62 Cb 0.12 -1.05 -0.01 0.00 -0.45 0.00 0.00 34.95 33.56 1a0j s ARG 62 CO 0.55 -0.35 -0.21 0.42 -0.68 0.00 0.00 175.30 175.03 1a0j s ILE 63 N 1.99 1.69 -0.23 1.52 1.01 -1.26 -4.89 121.20 121.03 1a0j s ILE 63 Ca 0.04 -0.89 -0.10 0.00 0.00 0.00 0.00 60.65 59.70 1a0j s ILE 63 Cb -0.13 -1.42 -0.05 0.00 0.01 0.00 0.00 42.46 40.87 1a0j s ILE 63 CO -0.05 0.48 0.14 -1.58 0.00 0.00 0.00 174.94 173.93 1a0j s GLN 64 N -0.26 4.07 -0.22 2.79 0.74 -0.47 -1.14 119.66 125.17 1a0j s GLN 64 Ca 0.02 -0.27 -0.13 0.00 0.05 0.00 0.00 55.36 55.03 1a0j s GLN 64 Cb -0.10 -3.49 -0.05 0.00 1.10 0.00 0.00 33.01 30.47 1a0j s GLN 64 CO 0.01 0.11 0.27 0.08 -0.55 0.00 0.00 175.29 175.21 1a0j s VAL 65 N 0.90 5.29 -0.18 1.34 1.01 0.76 -0.94 120.40 128.58 1a0j s VAL 65 Ca 0.07 0.42 -0.03 0.00 0.00 0.00 0.00 61.98 62.44 1a0j s VAL 65 Cb -0.13 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 1a0j s VAL 65 CO 0.03 0.31 -0.05 -0.60 0.00 0.00 0.00 175.10 174.79 1a0j s ARG 66 N 1.13 3.51 0.23 2.72 3.52 -0.53 -0.15 118.95 129.38 1a0j s ARG 66 Ca 0.13 -0.59 0.06 0.00 -0.13 0.00 0.00 55.73 55.21 1a0j s ARG 66 Cb -0.14 -2.91 -0.05 0.00 -1.56 0.00 0.00 34.95 30.29 1a0j s ARG 66 CO 0.06 0.06 -0.09 -0.51 -0.81 0.00 0.00 175.30 174.01 1a0j s LEU 67 N 0.81 2.47 0.00 -0.88 1.43 0.63 -0.99 118.68 122.15 1a0j s LEU 67 Ca -0.02 -1.11 0.00 0.00 -1.03 0.00 0.00 54.13 51.97 1a0j s LEU 67 Cb -0.15 -0.57 0.00 0.00 0.03 0.00 0.00 46.19 45.50 1a0j s LEU 67 CO 0.02 -0.30 0.00 0.61 0.23 0.00 0.00 176.35 176.91 1a0j n GLY 69 N -0.44 1.38 2.93 -3.19 0.00 -1.26 -0.89 105.19 103.72 1a0j n GLY 69 Ca -0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.22 0.59 0.33 1.61 2.56 -1.26 -4.13 118.70 118.18 1a0j s GLU 70 Ca 0.00 -0.15 0.18 0.00 0.00 0.00 0.00 54.97 55.00 1a0j s GLU 70 Cb 0.00 -0.60 0.15 0.00 2.00 0.00 0.00 34.13 35.69 1a0j s GLU 70 CO 0.00 0.03 1.46 0.45 -0.56 0.00 0.00 175.26 176.65 1a0j h HIS 71 N 6.52 0.00 -3.33 5.30 3.86 -1.95 -3.41 115.15 122.14 1a0j h HIS 71 Ca -0.34 0.00 -0.72 0.00 -1.16 0.00 0.00 60.37 58.16 1a0j h HIS 71 Cb 1.17 0.00 -0.21 0.00 1.06 0.00 0.00 27.41 29.43 1a0j h HIS 71 CO 0.45 0.30 -0.23 1.21 0.86 0.00 0.00 177.93 180.52 1a0j s ASN 72 N -6.30 6.17 0.62 2.45 3.84 -1.26 -0.77 114.94 119.69 1a0j s ASN 72 Ca 0.05 -1.12 0.41 0.00 0.21 0.00 0.00 52.86 52.41 1a0j s ASN 72 Cb 0.07 -2.21 2.17 0.00 -0.55 0.00 0.00 41.25 40.73 1a0j s ASN 72 CO 0.72 -0.69 2.26 -0.29 -2.79 0.00 0.00 177.10 176.31 1a0j h ILE 73 N 5.77 0.00 -0.01 -5.21 6.09 -0.86 -2.83 117.51 120.46 1a0j h ILE 73 Ca -0.28 -0.08 0.00 0.00 -1.37 0.00 0.00 64.86 63.14 1a0j h ILE 73 Cb 1.11 1.03 0.00 0.00 0.47 0.00 0.00 36.82 39.43 1a0j h ILE 73 CO 0.88 0.00 -0.63 0.00 -3.07 0.00 0.00 178.15 175.33 1a0j n ALA 74 N -2.05 3.91 -3.29 0.18 0.00 -1.26 -4.92 120.51 113.08 1a0j n ALA 74 Ca -0.02 -0.60 -0.33 0.00 0.00 0.00 0.00 53.44 52.48 1a0j n ALA 74 Cb 0.10 -0.74 -0.15 0.00 0.00 0.00 0.00 19.45 18.66 1a0j n ALA 74 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1a0j s VAL 75 N -2.56 2.78 -0.15 0.00 1.01 -1.07 -5.00 120.40 115.41 1a0j s VAL 75 Ca 0.14 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 1a0j s VAL 75 Cb 0.16 -2.17 -0.08 0.00 0.00 0.00 0.00 36.38 34.29 1a0j s VAL 75 CO 0.64 0.52 2.95 0.59 0.00 0.00 0.00 175.10 179.81 1a0j n ASN 76 N 3.82 5.72 0.27 3.32 4.13 -1.26 -4.72 115.26 126.54 1a0j n ASN 76 Ca -0.19 -2.72 0.13 0.00 1.68 0.00 0.00 54.58 53.48 1a0j n ASN 76 Cb 0.52 -1.28 0.79 0.00 -1.54 0.00 0.00 39.78 38.27 1a0j n ASN 76 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1a0j h GLU 77 N 2.49 0.00 0.00 3.52 4.57 -1.94 -3.47 114.58 119.75 1a0j h GLU 77 Ca 0.22 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 1a0j h GLU 77 Cb 1.16 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1a0j h GLU 77 CO 0.42 0.07 0.00 0.41 -1.18 0.00 0.00 179.01 178.73 1a0j n GLY 78 N -1.00 0.10 0.00 1.92 0.00 -1.26 -5.01 105.19 99.93 1a0j n GLY 78 Ca -0.02 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 1.28 -2.54 2.61 -2.24 -1.26 -4.85 114.28 107.28 1a0j n THR 79 Ca 0.00 0.36 -0.41 0.00 -2.27 0.00 0.00 64.05 61.73 1a0j n THR 79 Cb 0.00 -1.36 -0.04 0.00 -2.10 0.00 0.00 70.33 66.83 1a0j n THR 79 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1a0j s GLU 80 N -2.61 4.60 -0.15 -0.78 -1.05 -1.26 -4.54 118.70 112.91 1a0j s GLU 80 Ca 0.00 1.69 0.01 0.00 -0.15 0.00 0.00 54.97 56.52 1a0j s GLU 80 Cb 0.00 -3.29 0.00 0.00 -0.44 0.00 0.00 34.13 30.40 1a0j s GLU 80 CO 0.00 0.08 -0.17 -0.65 0.95 0.00 0.00 175.26 175.46 1a0j s GLN 81 N -0.25 3.14 -0.30 -4.83 -0.21 -0.06 -4.97 119.66 112.18 1a0j s GLN 81 Ca 0.49 -0.79 -0.03 0.00 0.02 0.00 0.00 55.36 55.06 1a0j s GLN 81 Cb -0.29 -2.57 0.04 0.00 1.00 0.00 0.00 33.01 31.20 1a0j s GLN 81 CO 0.34 -0.01 0.01 -0.06 -2.12 0.00 0.00 175.29 173.45 1a0j s PHE 82 N 0.85 3.22 -0.05 0.91 0.40 -1.26 -0.27 117.98 121.79 1a0j s PHE 82 Ca -0.05 -1.69 0.05 0.00 -0.60 0.00 0.00 56.93 54.64 1a0j s PHE 82 Cb -0.15 -2.13 -0.01 0.00 0.51 0.00 0.00 43.02 41.24 1a0j s PHE 82 CO -0.01 -0.77 -0.21 0.42 0.70 0.00 0.00 175.22 175.35 1a0j s ILE 83 N 1.30 1.77 0.35 0.64 1.01 0.79 -4.95 121.20 122.10 1a0j s ILE 83 Ca -0.03 -0.91 -0.17 0.00 0.00 0.00 0.00 60.65 59.53 1a0j s ILE 83 Cb -0.19 -1.50 -0.10 0.00 0.01 0.00 0.00 42.46 40.68 1a0j s ILE 83 CO -0.01 0.50 0.81 -1.81 0.00 0.00 0.00 174.94 174.42 1a0j s ASP 84 N -0.10 6.86 0.50 3.58 1.01 -1.26 -0.17 116.67 127.09 1a0j s ASP 84 Ca -0.03 1.43 -0.20 0.00 0.71 0.00 0.00 52.55 54.46 1a0j s ASP 84 Cb -0.12 -2.43 -0.08 0.00 1.01 0.00 0.00 42.92 41.30 1a0j s ASP 84 CO 0.03 -0.23 1.05 -0.94 0.21 0.00 0.00 175.17 175.29 1a0j s SER 85 N -2.18 6.21 -0.02 0.27 1.04 -0.29 -0.98 113.70 117.74 1a0j s SER 85 Ca 0.56 1.96 0.02 0.00 0.48 0.00 0.00 55.95 58.97 1a0j s SER 85 Cb -0.11 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.42 1a0j s SER 85 CO 0.17 -0.87 0.02 0.55 0.98 0.00 0.00 173.24 174.08 1a0j n VAL 86 N -1.09 0.13 -3.98 5.02 3.14 -0.20 -4.68 118.33 116.67 1a0j n VAL 86 Ca 0.10 -0.09 -0.12 0.00 -2.96 0.00 0.00 64.34 61.26 1a0j n VAL 86 Cb 0.52 -0.64 -0.13 0.00 -1.06 0.00 0.00 33.84 32.53 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 -2.08 0.21 -0.12 1.45 1.02 -1.21 -5.00 119.74 114.00 1a0j s LYS 87 Ca -0.01 -0.23 -0.01 0.00 0.02 0.00 0.00 55.97 55.74 1a0j s LYS 87 Cb 0.01 -0.11 0.04 0.00 -0.52 0.00 0.00 37.83 37.25 1a0j s LYS 87 CO 0.10 0.02 -0.03 0.08 -0.92 0.00 0.00 175.35 174.61 1a0j s VAL 88 N -0.43 0.73 -0.29 3.17 1.01 -1.26 -1.32 120.40 122.01 1a0j s VAL 88 Ca -0.03 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1a0j s VAL 88 Cb -0.03 -0.91 0.08 0.00 0.00 0.00 0.00 36.38 35.52 1a0j s VAL 88 CO -0.00 0.18 0.00 -0.63 0.00 0.00 0.00 175.10 174.65 1a0j s ILE 89 N 1.81 1.79 0.54 2.22 1.01 0.01 -5.00 121.20 123.59 1a0j s ILE 89 Ca 0.03 -1.73 -0.18 0.00 0.00 0.00 0.00 60.65 58.78 1a0j s ILE 89 Cb -0.14 -2.17 -0.06 0.00 0.01 0.00 0.00 42.46 40.10 1a0j s ILE 89 CO -0.07 -0.37 1.06 -0.04 0.00 0.00 0.00 174.94 175.52 1a0j s MET 90 N 1.21 3.52 0.20 2.79 -1.94 -1.26 -1.02 119.30 122.79 1a0j s MET 90 Ca 0.02 1.30 -0.33 0.00 -1.71 0.00 0.00 55.69 54.98 1a0j s MET 90 Cb -0.19 -2.06 -0.14 0.00 2.01 0.00 0.00 34.83 34.45 1a0j s MET 90 CO -0.10 -0.66 1.38 1.58 -0.01 0.00 0.00 175.02 177.21 1a0j n HIS 91 N -1.53 1.94 0.19 -0.03 -0.00 -0.59 -4.87 115.22 110.34 1a0j n HIS 91 Ca 0.09 0.47 0.14 0.00 0.46 0.00 0.00 57.72 58.89 1a0j n HIS 91 Cb 0.53 -2.42 0.75 0.00 -0.12 0.00 0.00 29.99 28.72 1a0j n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1a0j h PRO 92 N 4.37 0.00 -0.42 1.57 0.13 -1.93 -2.47 132.00 133.24 1a0j h PRO 92 Ca -0.45 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.56 1a0j h PRO 92 Cb 1.29 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.35 1a0j h PRO 92 CO 0.77 0.00 0.06 0.43 -0.23 0.00 0.00 178.00 179.03 1a0j n SER 93 N -4.18 3.70 -4.67 1.44 7.64 -1.26 -5.01 113.62 111.28 1a0j n SER 93 Ca 0.01 -3.31 -0.45 0.00 1.01 0.00 0.00 58.87 56.13 1a0j n SER 93 Cb 0.27 -0.63 -0.04 0.00 -1.01 0.00 0.00 64.21 62.81 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 -0.63 2.26 -3.83 1.43 9.36 -0.93 -4.74 117.16 120.08 1a0j n TYR 94 Ca 0.31 0.32 -0.36 0.00 3.32 0.00 0.00 57.90 61.48 1a0j n TYR 94 Cb 1.08 -2.52 -0.13 0.00 -0.63 0.00 0.00 39.34 37.14 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 0.71 5.10 0.60 2.98 3.84 -0.17 -4.98 114.94 123.02 1a0j s ASN 95 Ca 0.75 -1.43 0.39 0.00 0.21 0.00 0.00 52.86 52.78 1a0j s ASN 95 Cb -0.66 -1.78 1.92 0.00 -0.55 0.00 0.00 41.25 40.17 1a0j s ASN 95 CO 0.42 -0.35 2.18 0.77 -2.79 0.00 0.00 177.10 177.32 1a0j h SER 96 N 8.07 0.00 0.32 -4.21 4.64 -1.94 0.51 113.55 120.95 1a0j h SER 96 Ca -0.20 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.11 1a0j h SER 96 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1a0j h SER 96 CO 0.59 0.00 -0.15 -0.09 -0.87 0.00 0.00 176.83 176.31 1a0j h ARG 97 N 0.00 -0.41 -0.14 4.77 2.43 -1.96 -3.35 114.38 115.72 1a0j h ARG 97 Ca 0.00 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1a0j h ARG 97 Cb 0.23 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1a0j h ARG 97 CO 0.00 -0.10 0.00 0.27 -1.51 0.00 0.00 179.97 178.63 1a0j n ASN 98 N -5.14 2.33 -2.11 -3.80 6.94 -1.19 -4.98 115.26 107.31 1a0j n ASN 98 Ca -0.10 -1.67 -0.19 0.00 -0.02 0.00 0.00 54.58 52.61 1a0j n ASN 98 Cb 0.27 -0.09 -0.01 0.00 -2.36 0.00 0.00 39.78 37.59 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 0.61 -1.84 -4.76 -4.53 4.77 0.16 -4.99 117.00 106.43 1a0j n LEU 99 Ca 0.09 -0.01 -0.40 0.00 -0.03 0.00 0.00 56.01 55.66 1a0j n LEU 99 Cb 0.34 -2.68 -0.04 0.00 -2.33 0.00 0.00 43.42 38.71 1a0j n LEU 99 CO 0.08 -0.21 0.81 -0.62 -1.33 0.00 0.00 177.39 176.11 1a0j s ASP 100 N -2.17 7.21 -1.08 -1.43 2.15 -1.18 -3.19 116.67 116.98 1a0j s ASP 100 Ca 0.00 2.30 -0.04 0.00 0.43 0.00 0.00 52.55 55.24 1a0j s ASP 100 Cb 0.00 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 1a0j s ASP 100 CO 0.00 -0.19 0.92 0.59 -0.17 0.00 0.00 175.17 176.33 1a0j n ASN 101 N 1.12 -4.04 -4.34 -0.34 3.02 -1.26 -1.00 115.26 108.42 1a0j n ASN 101 Ca -0.01 -0.48 -0.43 0.00 -0.03 0.00 0.00 54.58 53.63 1a0j n ASN 101 Cb 0.45 -4.33 0.00 0.00 -0.61 0.00 0.00 39.78 35.29 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 -2.50 4.76 -3.76 6.41 2.03 -1.19 -4.39 116.55 117.91 1a0j n ASP 102 Ca -0.10 -2.92 -0.13 0.00 0.52 0.00 0.00 54.79 52.15 1a0j n ASP 102 Cb 0.59 -1.69 -0.09 0.00 -0.72 0.00 0.00 41.12 39.21 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 3.41 0.03 -0.08 5.18 2.07 -1.26 -3.97 121.20 126.59 1a0j s ILE 103 Ca 0.50 -0.28 -0.13 0.00 -1.41 0.00 0.00 60.65 59.33 1a0j s ILE 103 Cb 0.05 -0.57 0.03 0.00 0.13 0.00 0.00 42.46 42.11 1a0j s ILE 103 CO 0.03 -0.15 0.32 -0.32 -1.91 0.00 0.00 174.94 172.90 1a0j s MET 104 N -0.72 0.51 -0.08 3.50 -2.45 -0.18 -1.54 119.30 118.35 1a0j s MET 104 Ca -0.08 0.17 0.01 0.00 -1.25 0.00 0.00 55.69 54.53 1a0j s MET 104 Cb -0.04 0.24 -0.03 0.00 1.25 0.00 0.00 34.83 36.25 1a0j s MET 104 CO 0.03 -0.11 -0.08 -0.51 1.05 0.00 0.00 175.02 175.40 1a0j s LEU 105 N -0.50 3.07 -0.13 4.11 1.02 -0.19 -0.73 118.68 125.33 1a0j s LEU 105 Ca -0.06 -0.08 0.02 0.00 0.02 0.00 0.00 54.13 54.03 1a0j s LEU 105 Cb -0.04 -1.67 0.01 0.00 0.02 0.00 0.00 46.19 44.52 1a0j s LEU 105 CO 0.02 0.33 -0.19 -0.63 0.02 0.00 0.00 176.35 175.90 1a0j s ILE 106 N -0.60 1.79 -0.06 -0.59 1.01 0.04 -0.81 121.20 121.99 1a0j s ILE 106 Ca 0.09 -0.81 -0.19 0.00 0.00 0.00 0.00 60.65 59.73 1a0j s ILE 106 Cb -0.12 -1.61 -0.05 0.00 0.01 0.00 0.00 42.46 40.70 1a0j s ILE 106 CO 0.02 0.50 0.54 -0.75 0.00 0.00 0.00 174.94 175.24 1a0j s LYS 107 N 0.95 4.30 0.23 2.79 2.20 -0.43 -0.88 119.74 128.89 1a0j s LYS 107 Ca -0.06 0.60 -0.19 0.00 -0.36 0.00 0.00 55.97 55.97 1a0j s LYS 107 Cb -0.15 -3.38 -0.08 0.00 -1.51 0.00 0.00 37.83 32.71 1a0j s LYS 107 CO -0.03 0.28 0.71 -0.51 -0.36 0.00 0.00 175.35 175.45 1a0j s LEU 108 N 0.16 4.30 0.30 5.43 1.43 0.75 -1.03 118.68 130.01 1a0j s LEU 108 Ca 0.29 1.37 0.11 0.00 -1.03 0.00 0.00 54.13 54.87 1a0j s LEU 108 Cb -0.17 -3.64 0.47 0.00 0.03 0.00 0.00 46.19 42.88 1a0j s LEU 108 CO 0.14 0.00 1.68 0.77 0.23 0.00 0.00 176.35 179.17 1a0j h SER 109 N 3.25 0.00 -4.18 2.29 4.64 -1.33 -3.44 113.55 114.78 1a0j h SER 109 Ca -0.48 -0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.25 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 0.54 -0.84 -0.54 -0.87 0.00 0.00 176.83 175.78 1a0j s LYS 110 N -3.79 1.27 0.39 4.77 1.02 -1.26 -5.05 119.74 117.08 1a0j s LYS 110 Ca -0.02 -1.12 -0.26 0.00 0.02 0.00 0.00 55.97 54.60 1a0j s LYS 110 Cb 0.13 -1.52 -0.09 0.00 -0.52 0.00 0.00 37.83 35.84 1a0j s LYS 110 CO 0.75 0.37 1.21 -2.14 -0.92 0.00 0.00 175.35 174.62 1a0j s PRO 111 N -1.68 4.10 0.36 -1.68 0.02 -1.26 -4.81 135.00 130.06 1a0j s PRO 111 Ca 0.08 1.94 -0.25 0.00 0.02 0.00 0.00 61.00 62.80 1a0j s PRO 111 Cb -0.10 -2.76 -0.10 0.00 0.02 0.00 0.00 34.50 31.56 1a0j s PRO 111 CO 0.04 -0.31 0.99 0.00 -0.33 0.00 0.00 177.00 177.39 1a0j s ALA 112 N -1.34 3.15 -0.28 -1.55 0.00 0.20 -5.02 121.76 116.93 1a0j s ALA 112 Ca 0.55 0.60 -0.27 0.00 0.00 0.00 0.00 51.96 52.84 1a0j s ALA 112 Cb -0.33 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.57 1a0j s ALA 112 CO 0.42 0.00 0.95 -1.12 0.00 0.00 0.00 175.76 176.02 1a0j s SER 113 N -1.63 6.90 0.14 0.00 0.01 -1.26 -4.82 113.70 113.04 1a0j s SER 113 Ca 0.54 1.05 -0.10 0.00 1.31 0.00 0.00 55.95 58.75 1a0j s SER 113 Cb -0.19 -2.49 -0.06 0.00 0.21 0.00 0.00 66.02 63.48 1a0j s SER 113 CO 0.25 -0.70 0.47 -0.76 0.41 0.00 0.00 173.24 172.91 1a0j s LEU 114 N 3.22 4.29 0.00 2.44 1.43 -1.26 -4.73 118.68 124.07 1a0j s LEU 114 Ca 0.40 0.85 0.00 0.00 -1.03 0.00 0.00 54.13 54.35 1a0j s LEU 114 Cb -0.14 -3.28 0.00 0.00 0.03 0.00 0.00 46.19 42.80 1a0j s LEU 114 CO 0.11 0.07 0.00 -0.46 0.23 0.00 0.00 176.35 176.30 1a0j n ASN 115 N 0.48 0.00 0.26 2.29 0.23 0.00 -4.98 115.26 113.55 1a0j n ASN 115 Ca -0.04 -0.15 0.11 0.00 -0.53 0.00 0.00 54.58 53.97 1a0j n ASN 115 Cb 0.52 0.00 0.72 0.00 -2.08 0.00 0.00 39.78 38.94 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 0.00 0.00 0.53 4.64 -2.01 -3.15 113.55 113.56 1a0j h SER 116 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a0j h SER 116 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1a0j h SER 116 CO 0.00 0.10 -1.63 -1.22 -0.87 0.00 0.00 176.83 173.21 1a0j n TYR 117 N -3.88 0.00 -3.69 4.77 4.01 -1.26 -4.82 117.16 112.29 1a0j n TYR 117 Ca -0.02 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.46 1a0j n TYR 117 Cb 0.20 -0.32 -0.17 0.00 -0.31 0.00 0.00 39.34 38.74 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 -3.32 0.22 0.32 -0.72 1.01 -1.19 -4.20 120.40 112.52 1a0j s VAL 118 Ca -0.02 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 61.78 1a0j s VAL 118 Cb 0.15 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 1a0j s VAL 118 CO 0.89 -0.12 0.15 -0.94 0.00 0.00 0.00 175.10 175.07 1a0j s SER 119 N 2.01 1.72 0.28 3.32 1.04 -0.84 -0.82 113.70 120.40 1a0j s SER 119 Ca 0.02 -1.55 0.06 0.00 0.48 0.00 0.00 55.95 54.96 1a0j s SER 119 Cb -0.15 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.30 1a0j s SER 119 CO -0.07 -0.87 0.34 0.42 0.98 0.00 0.00 173.24 174.04 1a0j s THR 120 N -3.55 4.59 -0.07 2.02 -4.23 -1.26 -3.75 115.64 109.39 1a0j s THR 120 Ca 0.34 -1.13 0.02 0.00 -1.18 0.00 0.00 61.69 59.74 1a0j s THR 120 Cb 0.05 -3.57 -0.03 0.00 1.34 0.00 0.00 72.50 70.29 1a0j s THR 120 CO 0.17 -0.28 -0.10 0.54 -0.54 0.00 0.00 174.62 174.41 1a0j s VAL 121 N -2.10 3.43 0.41 2.29 0.11 -0.27 -4.86 120.40 119.42 1a0j s VAL 121 Ca 0.37 -0.58 -0.26 0.00 -2.93 0.00 0.00 61.98 58.58 1a0j s VAL 121 Cb -0.08 -2.39 -0.09 0.00 -1.53 0.00 0.00 36.38 32.29 1a0j s VAL 121 CO 0.28 0.59 1.36 0.00 -3.33 0.00 0.00 175.10 174.00 1a0j s ALA 122 N -0.65 3.29 0.61 1.54 0.00 -1.24 -4.59 121.76 120.72 1a0j s ALA 122 Ca 0.10 1.34 -0.16 0.00 0.00 0.00 0.00 51.96 53.23 1a0j s ALA 122 Cb -0.11 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 1a0j s ALA 122 CO 0.01 -0.96 1.09 -0.51 0.00 0.00 0.00 175.76 175.40 1a0j s LEU 123 N -2.47 3.50 0.32 0.00 1.43 -1.26 -0.94 118.68 119.25 1a0j s LEU 123 Ca 0.58 1.95 -0.29 0.00 -1.03 0.00 0.00 54.13 55.34 1a0j s LEU 123 Cb -0.41 -4.55 -0.10 0.00 0.03 0.00 0.00 46.19 41.16 1a0j s LEU 123 CO 0.53 -1.36 1.29 -2.16 0.23 0.00 0.00 176.35 174.88 1a0j s PRO 124 N -3.94 4.38 0.03 1.29 0.04 -1.25 -4.68 135.00 130.88 1a0j s PRO 124 Ca 0.66 2.17 0.22 0.00 0.04 0.00 0.00 61.00 64.10 1a0j s PRO 124 Cb -0.19 -3.09 -0.11 0.00 0.04 0.00 0.00 34.50 31.16 1a0j s PRO 124 CO 0.37 -0.16 0.86 -1.13 0.04 0.00 0.00 177.00 176.98 1a0j n SER 125 N 0.94 0.52 -3.89 6.66 3.41 -1.26 -4.96 113.62 115.04 1a0j n SER 125 Ca 0.00 -0.23 -0.09 0.00 -0.26 0.00 0.00 58.87 58.30 1a0j n SER 125 Cb 0.42 1.13 -0.04 0.00 -0.26 0.00 0.00 64.21 65.46 1a0j n SER 125 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1a0j s SER 127 N -4.07 -0.18 0.18 4.04 1.04 -1.26 -5.14 113.70 108.30 1a0j s SER 127 Ca 0.01 -0.72 -0.30 0.00 0.48 0.00 0.00 55.95 55.42 1a0j s SER 127 Cb 0.14 0.63 -0.07 0.00 0.10 0.00 0.00 66.02 66.81 1a0j s SER 127 CO 0.84 -1.18 1.03 0.00 0.98 0.00 0.00 173.24 174.91 1a0j s ALA 129 N -0.39 3.21 0.47 0.00 0.00 -1.26 -5.04 121.76 118.75 1a0j s ALA 129 Ca 0.47 0.82 0.03 0.00 0.00 0.00 0.00 51.96 53.28 1a0j s ALA 129 Cb -0.27 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.55 1a0j s ALA 129 CO 0.33 -0.25 0.67 -1.54 0.00 0.00 0.00 175.76 174.97 1a0j s SER 130 N -1.25 5.58 0.35 0.00 1.04 -1.26 -5.01 113.70 113.14 1a0j s SER 130 Ca 0.53 -0.03 -0.26 0.00 0.48 0.00 0.00 55.95 56.67 1a0j s SER 130 Cb -0.27 -1.05 -0.13 0.00 0.10 0.00 0.00 66.02 64.67 1a0j s SER 130 CO 0.34 -0.87 0.98 -1.20 0.98 0.00 0.00 173.24 173.48 1a0j n SER 132 N -2.10 1.17 0.00 7.02 7.64 -1.26 -2.04 113.62 124.05 1a0j n SER 132 Ca 0.05 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1a0j n SER 132 Cb 0.59 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 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 1.23 3.22 3.73 0.23 0.00 -0.47 -4.95 105.19 108.18 1a0j n GLY 133 Ca 0.09 0.00 -0.42 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 -2.41 2.18 -0.04 2.61 2.01 -0.87 -4.66 115.64 114.46 1a0j s THR 134 Ca 0.00 0.13 -0.14 0.00 0.31 0.00 0.00 61.69 61.99 1a0j s THR 134 Cb 0.00 -3.09 -0.05 0.00 0.01 0.00 0.00 72.50 69.37 1a0j s THR 134 CO 0.00 0.01 0.38 -0.60 -0.69 0.00 0.00 174.62 173.72 1a0j s ARG 135 N 0.63 3.93 0.28 4.92 6.06 -1.26 -0.72 118.95 132.78 1a0j s ARG 135 Ca 0.70 0.33 0.04 0.00 -2.50 0.00 0.00 55.73 54.30 1a0j s ARG 135 Cb -0.48 -3.25 -0.03 0.00 0.06 0.00 0.00 34.95 31.25 1a0j s ARG 135 CO 0.37 0.62 0.22 0.00 -2.50 0.00 0.00 175.30 174.01 1a0j s LEU 137 N -3.28 1.62 0.16 0.00 2.96 0.32 -1.40 118.68 119.06 1a0j s LEU 137 Ca 0.40 -0.36 0.04 0.00 -0.22 0.00 0.00 54.13 53.99 1a0j s LEU 137 Cb 0.04 -0.95 -0.04 0.00 0.50 0.00 0.00 46.19 45.74 1a0j s LEU 137 CO 0.21 0.01 0.16 -0.69 -1.32 0.00 0.00 176.35 174.72 1a0j s VAL 138 N 0.94 4.65 0.03 1.68 1.01 -0.35 -1.40 120.40 126.96 1a0j s VAL 138 Ca -0.09 -0.99 -0.12 0.00 0.00 0.00 0.00 61.98 60.78 1a0j s VAL 138 Cb -0.15 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 32.87 1a0j s VAL 138 CO -0.00 -0.09 0.26 -0.94 0.00 0.00 0.00 175.10 174.33 1a0j s SER 139 N -3.09 -0.08 0.00 3.32 1.04 -1.22 -1.55 113.70 112.12 1a0j s SER 139 Ca 0.32 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.53 1a0j s SER 139 Cb -0.10 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1a0j s SER 139 CO 0.24 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.51 1a0j n GLY 140 N 0.74 -0.38 1.67 7.32 0.00 -0.80 -4.42 105.19 109.32 1a0j n GLY 140 Ca -0.19 -1.04 -0.15 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.30 2.02 -1.97 1.61 8.01 -1.26 -2.23 117.44 123.32 1a0j n TRP 141 Ca 0.00 -1.88 -0.29 0.00 -1.31 0.00 0.00 57.50 54.02 1a0j n TRP 141 Cb 0.00 -0.72 0.18 0.00 -2.01 0.00 0.00 31.31 28.76 1a0j n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1a0j s GLY 142 N -2.18 1.77 0.21 6.99 0.00 -1.25 -4.43 107.32 108.43 1a0j s GLY 142 Ca 0.51 -1.21 -0.31 0.00 0.00 0.00 0.00 44.72 43.70 1a0j s GLY 142 CO 0.03 -0.46 1.20 -2.01 0.00 0.00 0.00 173.10 171.86 1a0j n ASN 143 N -3.70 1.72 0.03 1.64 2.85 0.38 -2.69 115.26 115.50 1a0j n ASN 143 Ca 0.15 1.15 0.12 0.00 -0.11 0.00 0.00 54.58 55.89 1a0j n ASN 143 Cb 0.60 -1.29 0.23 0.00 1.24 0.00 0.00 39.78 40.55 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 1.88 0.56 -4.14 1.20 4.77 0.10 -0.30 117.00 121.07 1a0j n LEU 144 Ca 0.13 0.11 -0.21 0.00 -0.03 0.00 0.00 56.01 56.01 1a0j n LEU 144 Cb 0.28 -0.23 -0.14 0.00 -2.33 0.00 0.00 43.42 41.00 1a0j n LEU 144 CO 0.61 0.04 -0.47 -0.55 -1.33 0.00 0.00 177.39 175.69 1a0j s SER 145 N -3.53 1.74 0.00 -1.43 0.15 -1.26 -4.39 113.70 104.98 1a0j s SER 145 Ca 0.09 -0.41 0.22 0.00 0.70 0.00 0.00 55.95 56.55 1a0j s SER 145 Cb 0.16 -0.14 0.65 0.00 -1.71 0.00 0.00 66.02 64.98 1a0j s SER 145 CO 0.70 0.09 1.51 0.61 1.20 0.00 0.00 173.24 177.35 1a0j n GLY 146 N 2.13 0.66 0.00 9.45 0.00 -1.26 -4.14 105.19 112.02 1a0j n GLY 146 Ca -0.17 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 0.66 0.21 -4.13 1.61 3.41 -1.26 -4.63 113.62 109.48 1a0j n SER 147 Ca 0.17 -0.61 -0.09 0.00 -0.26 0.00 0.00 58.87 58.09 1a0j n SER 147 Cb 0.41 0.21 -0.10 0.00 -0.26 0.00 0.00 64.21 64.47 1a0j n SER 147 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1a0j s SER 148 N -0.21 0.72 -0.47 4.04 0.01 -1.26 -5.11 113.70 111.43 1a0j s SER 148 Ca 0.00 -1.04 -0.21 0.00 1.31 0.00 0.00 55.95 56.02 1a0j s SER 148 Cb 0.00 0.17 0.04 0.00 0.21 0.00 0.00 66.02 66.44 1a0j s SER 148 CO 0.00 -0.57 0.69 -0.44 0.41 0.00 0.00 173.24 173.33 1a0j s SER 149 N -2.99 6.30 -0.29 2.44 0.01 -1.26 -4.33 113.70 113.58 1a0j s SER 149 Ca 0.11 -0.48 -0.03 0.00 1.31 0.00 0.00 55.95 56.87 1a0j s SER 149 Cb 0.07 -2.33 0.11 0.00 0.21 0.00 0.00 66.02 64.08 1a0j s SER 149 CO -0.06 -0.88 0.19 0.21 0.41 0.00 0.00 173.24 173.11 1a0j s ASN 150 N 2.31 2.83 -0.07 2.44 3.84 -1.26 -5.03 114.94 119.99 1a0j s ASN 150 Ca 0.22 -1.12 0.02 0.00 0.21 0.00 0.00 52.86 52.19 1a0j s ASN 150 Cb -0.15 -0.03 -0.02 0.00 -0.55 0.00 0.00 41.25 40.49 1a0j s ASN 150 CO 0.17 -0.42 -0.12 -0.31 -2.79 0.00 0.00 177.10 173.63 1a0j s TYR 151 N 2.17 2.78 0.55 0.43 1.51 -1.26 0.03 117.35 123.55 1a0j s TYR 151 Ca 0.09 -0.24 -0.07 0.00 -1.01 0.00 0.00 57.07 55.84 1a0j s TYR 151 Cb -0.15 -1.70 -0.03 0.00 -0.11 0.00 0.00 41.96 39.96 1a0j s TYR 151 CO -0.34 0.12 0.89 -1.25 -1.11 0.00 0.00 175.55 173.85 1a0j s PRO 152 N -0.46 3.42 -0.14 -1.71 0.04 -1.26 -5.01 135.00 129.89 1a0j s PRO 152 Ca 0.06 0.34 0.07 0.00 0.04 0.00 0.00 61.00 61.51 1a0j s PRO 152 Cb -0.12 -2.26 -0.23 0.00 0.04 0.00 0.00 34.50 31.93 1a0j s PRO 152 CO 0.02 -0.43 0.30 -0.25 0.04 0.00 0.00 177.00 176.67 1a0j n ASP 153 N -2.49 1.17 -4.82 6.66 8.00 -1.26 -4.91 116.55 118.89 1a0j n ASP 153 Ca 0.03 0.17 -0.36 0.00 0.71 0.00 0.00 54.79 55.35 1a0j n ASP 153 Cb 0.55 -0.07 -0.07 0.00 -0.02 0.00 0.00 41.12 41.52 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 5.12 0.13 -3.53 -4.23 -1.26 -0.26 115.64 109.06 1a0j s THR 154 Ca -0.15 -0.01 -0.33 0.00 -1.18 0.00 0.00 61.69 60.01 1a0j s THR 154 Cb 0.07 -3.24 -0.13 0.00 1.34 0.00 0.00 72.50 70.54 1a0j s THR 154 CO 0.77 0.56 1.67 -0.11 -0.54 0.00 0.00 174.62 176.97 1a0j n LEU 155 N 1.84 3.36 -4.81 4.79 7.94 0.05 -4.90 117.00 125.26 1a0j n LEU 155 Ca -0.18 1.05 -0.31 0.00 -1.11 0.00 0.00 56.01 55.46 1a0j n LEU 155 Cb 0.54 -1.45 -0.06 0.00 0.53 0.00 0.00 43.42 42.98 1a0j n LEU 155 CO 0.32 -0.15 -0.23 -0.13 -1.11 0.00 0.00 177.39 176.09 1a0j s ARG 156 N 1.61 3.04 0.14 1.96 1.81 -0.95 -1.51 118.95 125.06 1a0j s ARG 156 Ca 0.81 -0.60 0.08 0.00 -1.72 0.00 0.00 55.73 54.30 1a0j s ARG 156 Cb -0.64 -2.82 -0.04 0.00 -0.45 0.00 0.00 34.95 31.00 1a0j s ARG 156 CO 0.39 0.59 -0.19 0.00 -0.68 0.00 0.00 175.30 175.41 1a0j s LEU 158 N -2.41 -0.10 -0.09 0.00 2.96 -0.60 -1.13 118.68 117.31 1a0j s LEU 158 Ca 0.12 0.81 -0.17 0.00 -0.22 0.00 0.00 54.13 54.67 1a0j s LEU 158 Cb -0.07 1.18 -0.05 0.00 0.50 0.00 0.00 46.19 47.75 1a0j s LEU 158 CO 0.06 -0.20 0.46 -1.81 -1.32 0.00 0.00 176.35 173.53 1a0j s ASP 159 N 1.65 6.71 0.03 3.68 1.01 -1.26 -1.21 116.67 127.28 1a0j s ASP 159 Ca -0.07 0.84 -0.18 0.00 0.71 0.00 0.00 52.55 53.85 1a0j s ASP 159 Cb -0.10 -2.28 0.03 0.00 1.01 0.00 0.00 42.92 41.59 1a0j s ASP 159 CO -0.12 0.08 0.39 -1.48 0.21 0.00 0.00 175.17 174.26 1a0j s LEU 160 N 0.21 0.49 0.18 1.23 2.34 -0.49 -4.96 118.68 117.68 1a0j s LEU 160 Ca 0.25 0.00 -0.04 0.00 0.06 0.00 0.00 54.13 54.41 1a0j s LEU 160 Cb -0.15 1.66 -0.05 0.00 -0.56 0.00 0.00 46.19 47.08 1a0j s LEU 160 CO 0.11 -0.63 0.41 -2.16 -1.06 0.00 0.00 176.35 173.02 1a0j s PRO 161 N -2.31 3.60 0.27 1.48 0.04 -1.26 -0.62 135.00 136.19 1a0j s PRO 161 Ca -0.06 -0.14 -0.29 0.00 0.04 0.00 0.00 61.00 60.55 1a0j s PRO 161 Cb -0.01 -2.81 -0.10 0.00 0.04 0.00 0.00 34.50 31.62 1a0j s PRO 161 CO -0.01 0.40 1.24 0.42 0.04 0.00 0.00 177.00 179.09 1a0j s ILE 162 N -1.79 3.12 0.30 0.56 1.01 0.10 -1.97 121.20 122.54 1a0j s ILE 162 Ca 0.41 1.05 0.04 0.00 0.00 0.00 0.00 60.65 62.15 1a0j s ILE 162 Cb -0.12 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.66 1a0j s ILE 162 CO 0.27 0.22 0.45 -0.76 0.00 0.00 0.00 174.94 175.12 1a0j s LEU 163 N -1.13 4.13 0.73 2.97 1.43 -0.23 -1.37 118.68 125.20 1a0j s LEU 163 Ca 0.50 0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 53.62 1a0j s LEU 163 Cb -0.36 -2.98 0.03 0.00 0.03 0.00 0.00 46.19 42.91 1a0j s LEU 163 CO 0.45 -0.24 1.09 -0.94 0.23 0.00 0.00 176.35 176.94 1a0j s SER 164 N -4.05 4.78 0.28 2.29 1.04 -1.26 -4.64 113.70 112.14 1a0j s SER 164 Ca 0.39 1.85 -0.01 0.00 0.48 0.00 0.00 55.95 58.66 1a0j s SER 164 Cb -0.09 -2.53 0.46 0.00 0.10 0.00 0.00 66.02 63.96 1a0j s SER 164 CO 0.32 -1.85 1.88 0.28 0.98 0.00 0.00 173.24 174.85 1a0j h SER 165 N -0.72 0.99 -0.51 7.02 0.02 -1.98 -1.23 113.55 117.14 1a0j h SER 165 Ca -0.45 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1a0j h SER 165 Cb 1.23 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.55 1a0j h SER 165 CO 0.53 0.62 0.30 0.28 -1.14 0.00 0.00 176.83 177.41 1a0j h SER 166 N 1.11 0.62 -0.49 3.07 0.02 -1.98 0.68 113.55 116.58 1a0j h SER 166 Ca 0.43 -0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 61.24 1a0j h SER 166 Cb 0.23 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1a0j h SER 166 CO -0.18 0.50 0.04 0.28 -1.14 0.00 0.00 176.83 176.34 1a0j h SER 167 N 0.68 0.85 -0.36 3.07 0.02 -1.82 -1.10 113.55 114.88 1a0j h SER 167 Ca 0.18 -0.20 -0.05 0.00 -0.84 0.00 0.00 61.79 60.88 1a0j h SER 167 Cb 0.01 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 1a0j h SER 167 CO -0.03 0.88 0.03 0.00 -1.14 0.00 0.00 176.83 176.57 1a0j h ASN 169 N 0.45 0.00 1.00 0.00 2.35 -0.76 -0.32 115.58 118.29 1a0j h ASN 169 Ca 0.11 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.68 1a0j h ASN 169 Cb 0.41 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 1a0j h ASN 169 CO 0.01 0.65 -0.83 0.77 -1.65 0.00 0.00 177.43 176.38 1a0j h SER 170 N 0.00 0.00 -0.46 5.81 4.64 -1.10 -2.44 113.55 120.00 1a0j h SER 170 Ca -0.01 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.18 1a0j h SER 170 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 1a0j h SER 170 CO 0.08 0.83 -0.23 0.00 -0.87 0.00 0.00 176.83 176.64 1a0j h ALA 171 N 1.17 0.65 -2.11 5.18 0.00 -0.74 -3.38 119.26 120.03 1a0j h ALA 171 Ca -0.01 -0.40 -0.58 0.00 0.00 0.00 0.00 54.91 53.92 1a0j h ALA 171 Cb 1.56 -0.16 -0.41 0.00 0.00 0.00 0.00 17.79 18.78 1a0j h ALA 171 CO 0.11 0.65 -0.81 0.66 0.00 0.00 0.00 179.25 179.86 1a0j n TYR 172 N -4.12 2.02 -1.68 0.00 4.01 -0.17 -4.91 117.16 112.31 1a0j n TYR 172 Ca -0.00 -3.91 -0.45 0.00 -0.16 0.00 0.00 57.90 53.37 1a0j n TYR 172 Cb 0.47 -0.47 -0.04 0.00 -0.31 0.00 0.00 39.34 38.98 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 1.04 2.45 -0.97 -0.72 -0.02 -0.92 -1.84 135.00 134.02 1a0j n PRO 173 Ca 0.26 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.64 1a0j n PRO 173 Cb 0.46 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 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 4.23 0.43 0.15 -1.23 0.00 -1.26 -4.85 105.19 102.65 1a0j n GLY 174 Ca 0.20 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.90 2.32 -3.40 1.61 6.02 -0.77 -4.96 117.38 116.31 1a0j n GLN 175 Ca 0.00 -0.48 -0.39 0.00 -0.01 0.00 0.00 57.00 56.12 1a0j n GLN 175 Cb 0.11 -0.97 -0.09 0.00 1.02 0.00 0.00 30.24 30.31 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 -1.04 5.19 0.62 5.09 -1.09 -1.25 -5.06 121.20 123.66 1a0j s ILE 176 Ca 0.05 0.57 0.07 0.00 -2.23 0.00 0.00 60.65 59.12 1a0j s ILE 176 Cb 0.05 -3.69 0.10 0.00 -1.58 0.00 0.00 42.46 37.34 1a0j s ILE 176 CO 0.16 0.18 0.85 0.42 -1.23 0.00 0.00 174.94 175.32 1a0j s THR 177 N 1.93 2.11 -1.03 2.92 -4.23 -1.26 -4.97 115.64 111.10 1a0j s THR 177 Ca 0.15 -0.90 0.10 0.00 -1.18 0.00 0.00 61.69 59.86 1a0j s THR 177 Cb -0.16 -2.21 0.09 0.00 1.34 0.00 0.00 72.50 71.57 1a0j s THR 177 CO 0.09 0.00 1.32 -1.54 -0.54 0.00 0.00 174.62 173.95 1a0j n SER 178 N -2.41 0.00 -1.66 3.99 3.41 -1.26 -1.97 113.62 113.72 1a0j n SER 178 Ca 0.16 0.47 0.08 0.00 -0.26 0.00 0.00 58.87 59.32 1a0j n SER 178 Cb 0.61 -0.48 0.36 0.00 -0.26 0.00 0.00 64.21 64.44 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 -1.48 4.97 -4.12 4.04 3.02 -1.26 -4.92 115.26 115.51 1a0j n ASN 179 Ca 0.03 -2.62 -0.15 0.00 -0.03 0.00 0.00 54.58 51.80 1a0j n ASN 179 Cb 0.12 -0.62 -0.11 0.00 -0.61 0.00 0.00 39.78 38.55 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 -2.20 0.67 0.04 3.52 -1.94 -0.83 -0.97 119.30 117.58 1a0j s MET 180 Ca 0.50 -0.89 -0.01 0.00 -1.71 0.00 0.00 55.69 53.58 1a0j s MET 180 Cb 0.35 -0.51 -0.03 0.00 2.01 0.00 0.00 34.83 36.65 1a0j s MET 180 CO 0.20 0.10 -0.03 -0.59 -0.01 0.00 0.00 175.02 174.69 1a0j s PHE 181 N -1.52 0.40 0.09 -0.03 -0.12 -0.34 -4.80 117.98 111.65 1a0j s PHE 181 Ca -0.05 -0.82 0.01 0.00 -0.05 0.00 0.00 56.93 56.02 1a0j s PHE 181 Cb -0.09 -0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 41.97 1a0j s PHE 181 CO 0.01 -0.29 0.23 0.00 -0.05 0.00 0.00 175.22 175.11 1a0j s ALA 183 N -1.59 -1.04 0.00 0.00 0.00 -0.82 -1.07 121.76 117.25 1a0j s ALA 183 Ca 0.34 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.84 1a0j s ALA 183 Cb -0.12 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.11 1a0j s ALA 183 CO 0.28 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.13 1a0j n GLY 184 N 1.04 0.24 2.84 0.00 0.00 -0.83 -2.85 105.19 105.64 1a0j n GLY 184 Ca -0.20 -1.65 -0.23 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.70 0.88 0.32 1.61 0.08 -1.26 -4.38 117.98 113.52 1a0j s PHE 184 Ca 0.00 -0.30 0.34 0.00 0.12 0.00 0.00 56.93 57.08 1a0j s PHE 184 Cb 0.00 -0.86 1.60 0.00 -0.57 0.00 0.00 43.02 43.19 1a0j s PHE 184 CO 0.00 -0.33 2.08 0.52 -0.10 0.00 0.00 175.22 177.39 1a0j h MET 185 N 7.96 0.00 0.00 0.44 2.86 -1.96 -1.17 114.93 123.07 1a0j h MET 185 Ca -0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 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 0.35 0.05 0.00 0.39 1.06 0.00 0.00 176.91 178.76 1a0j n GLU 186 N -3.26 0.12 0.00 1.72 4.71 -1.26 -0.41 120.64 122.26 1a0j n GLU 186 Ca -0.01 0.16 0.00 0.00 -0.01 0.00 0.00 57.16 57.30 1a0j n GLU 186 Cb 0.25 -1.65 0.00 0.00 -1.01 0.00 0.00 31.44 29.02 1a0j n GLU 186 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1a0j n GLY 187 N 1.07 -1.50 1.98 0.62 0.00 -0.44 -4.36 105.19 102.56 1a0j n GLY 187 Ca 0.05 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.66 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 2.41 2.96 -0.02 0.00 -0.45 -4.81 105.19 105.28 1a0j n GLY 188 Ca 0.00 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 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 1.11 -0.00 1.61 1.02 -1.26 -4.21 119.74 118.01 1a0j s LYS 188 Ca 0.00 -0.24 -0.29 0.00 0.02 0.00 0.00 55.97 55.46 1a0j s LYS 188 Cb 0.00 -1.01 0.10 0.00 -0.52 0.00 0.00 37.83 36.40 1a0j s LYS 188 CO 0.00 -0.00 0.98 0.34 -0.92 0.00 0.00 175.35 175.75 1a0j s ASP 189 N 0.66 -0.26 0.92 2.83 2.15 -0.53 -4.36 116.67 118.07 1a0j s ASP 189 Ca -0.11 -0.10 -0.13 0.00 0.43 0.00 0.00 52.55 52.64 1a0j s ASP 189 Cb -0.13 0.35 0.19 0.00 -0.30 0.00 0.00 42.92 43.03 1a0j s ASP 189 CO 0.01 -0.60 1.26 -0.94 -0.17 0.00 0.00 175.17 174.74 1a0j s SER 190 N -2.57 3.33 0.17 -0.34 1.04 -1.26 -0.31 113.70 113.76 1a0j s SER 190 Ca 0.08 0.14 -0.06 0.00 0.48 0.00 0.00 55.95 56.59 1a0j s SER 190 Cb -0.01 -0.24 0.02 0.00 0.10 0.00 0.00 66.02 65.90 1a0j s SER 190 CO -0.05 -2.58 0.34 0.00 0.98 0.00 0.00 173.24 171.92 1a0j n GLN 192 N -0.24 2.11 0.00 0.00 6.02 -1.26 -1.45 117.38 122.55 1a0j n GLN 192 Ca -0.04 0.74 0.00 0.00 -0.01 0.00 0.00 57.00 57.70 1a0j n GLN 192 Cb 0.26 -2.36 0.00 0.00 1.02 0.00 0.00 30.24 29.16 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 0.76 3.05 0.03 1.08 0.00 -1.26 -0.47 105.19 108.38 1a0j n GLY 193 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 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 0.55 -4.60 1.61 8.00 -0.53 -3.86 116.55 117.72 1a0j n ASP 194 Ca 0.00 0.05 -0.49 0.00 0.71 0.00 0.00 54.79 55.05 1a0j n ASP 194 Cb 0.00 0.07 -0.05 0.00 -0.02 0.00 0.00 41.12 41.13 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 -1.82 1.74 0.00 -2.24 7.64 -1.26 -1.52 113.62 116.16 1a0j n SER 195 Ca 0.05 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1a0j n SER 195 Cb 0.39 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 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 2.34 2.31 3.82 0.23 0.00 -0.19 -0.59 105.19 113.10 1a0j n GLY 196 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.20 1.60 0.20 -0.02 0.00 -0.58 -3.38 107.32 102.94 1a0j s GLY 197 Ca 0.00 -0.40 -0.21 0.00 0.00 0.00 0.00 44.72 44.11 1a0j s GLY 197 CO 0.00 0.08 0.72 2.56 0.00 0.00 0.00 173.10 176.46 1a0j s PRO 198 N -5.28 4.31 -0.34 2.90 0.04 -1.26 -1.39 135.00 133.98 1a0j s PRO 198 Ca 0.62 0.91 -0.04 0.00 0.04 0.00 0.00 61.00 62.53 1a0j s PRO 198 Cb -0.14 -2.99 0.06 0.00 0.04 0.00 0.00 34.50 31.47 1a0j s PRO 198 CO 0.53 0.45 0.09 0.08 0.04 0.00 0.00 177.00 178.19 1a0j s VAL 199 N -1.41 3.42 -0.14 -0.36 1.01 -0.35 -3.36 120.40 119.20 1a0j s VAL 199 Ca 0.40 -1.40 -0.04 0.00 0.00 0.00 0.00 61.98 60.94 1a0j s VAL 199 Cb -0.18 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 1a0j s VAL 199 CO 0.22 -0.26 0.00 -0.69 0.00 0.00 0.00 175.10 174.37 1a0j s VAL 200 N 1.30 4.26 -0.11 2.92 1.01 -0.50 -1.02 120.40 128.26 1a0j s VAL 200 Ca -0.01 -0.24 -0.00 0.00 0.00 0.00 0.00 61.98 61.73 1a0j s VAL 200 Cb -0.20 -2.86 0.02 0.00 0.00 0.00 0.00 36.38 33.34 1a0j s VAL 200 CO 0.00 0.51 -0.08 0.00 0.00 0.00 0.00 175.10 175.53 1a0j n ASN 202 N 4.84 -2.77 0.00 0.00 3.02 -1.26 -1.54 115.26 117.55 1a0j n ASN 202 Ca -0.14 -0.79 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 1a0j n ASN 202 Cb 0.50 -4.05 0.00 0.00 -0.61 0.00 0.00 39.78 35.62 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 -1.64 0.77 3.26 7.41 0.00 -1.26 -5.02 105.19 108.71 1a0j n GLY 203 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.17 1.74 -0.35 1.61 -0.21 -0.59 -3.64 119.66 118.06 1a0j s GLN 204 Ca 0.00 -0.85 -0.28 0.00 0.02 0.00 0.00 55.36 54.24 1a0j s GLN 204 Cb 0.00 -1.74 -0.01 0.00 1.00 0.00 0.00 33.01 32.26 1a0j s GLN 204 CO 0.00 0.47 1.74 -1.17 -2.12 0.00 0.00 175.29 174.21 1a0j s LEU 209 N -0.71 3.51 -0.05 2.90 2.96 -0.12 -1.17 118.68 126.01 1a0j s LEU 209 Ca 0.09 1.22 0.18 0.00 -0.22 0.00 0.00 54.13 55.40 1a0j s LEU 209 Cb -0.09 -3.49 -0.28 0.00 0.50 0.00 0.00 46.19 42.83 1a0j s LEU 209 CO -0.00 -1.68 0.36 0.00 -1.32 0.00 0.00 176.35 173.71 1a0j n GLN 210 N 8.39 0.66 -3.88 1.98 1.13 -0.19 -3.77 117.38 121.71 1a0j n GLN 210 Ca 0.22 -0.15 -0.09 0.00 -1.94 0.00 0.00 57.00 55.04 1a0j n GLN 210 Cb 0.47 -1.45 -0.07 0.00 0.11 0.00 0.00 30.24 29.30 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 -4.35 0.17 -0.09 1.08 0.00 -0.92 -1.45 107.32 101.77 1a0j s GLY 211 Ca -0.07 -0.68 0.03 0.00 0.00 0.00 0.00 44.72 44.00 1a0j s GLY 211 CO 0.78 -0.82 -0.19 0.14 0.00 0.00 0.00 173.10 173.01 1a0j s VAL 212 N -3.88 1.65 0.02 1.40 1.01 -1.10 -1.21 120.40 118.28 1a0j s VAL 212 Ca 0.07 -0.78 -0.31 0.00 0.00 0.00 0.00 61.98 60.97 1a0j s VAL 212 Cb 0.05 -1.45 -0.09 0.00 0.00 0.00 0.00 36.38 34.88 1a0j s VAL 212 CO -0.09 0.47 1.96 0.52 0.00 0.00 0.00 175.10 177.96 1a0j n VAL 213 N 3.67 0.74 0.02 2.92 0.31 -0.49 -1.36 118.33 124.15 1a0j n VAL 213 Ca -0.21 -0.13 -0.00 0.00 -0.01 0.00 0.00 64.34 63.99 1a0j n VAL 213 Cb 0.52 -2.25 -0.00 0.00 -0.91 0.00 0.00 33.84 31.20 1a0j n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1a0j n SER 214 N 7.38 0.63 -2.92 4.52 2.88 -0.94 -1.03 113.62 124.15 1a0j n SER 214 Ca 0.20 0.08 -0.11 0.00 -1.33 0.00 0.00 58.87 57.72 1a0j n SER 214 Cb 0.39 -0.22 0.01 0.00 -0.75 0.00 0.00 64.21 63.64 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 -1.57 0.47 0.00 0.66 1.48 -0.90 -4.92 118.94 114.16 1a0j s TRP 215 Ca -0.01 -1.02 0.00 0.00 -1.06 0.00 0.00 56.10 54.01 1a0j s TRP 215 Cb 0.00 0.55 0.00 0.00 -1.16 0.00 0.00 33.47 32.86 1a0j s TRP 215 CO 0.02 -1.47 0.00 0.41 -4.06 0.00 0.00 176.95 171.85 1a0j n GLY 216 N -0.56 0.50 3.47 3.67 0.00 -1.26 -1.07 105.19 109.94 1a0j n GLY 216 Ca -0.06 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 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 3.12 0.00 1.61 2.02 -1.26 -4.92 117.35 115.91 1a0j s TYR 217 Ca 0.00 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.31 1a0j s TYR 217 Cb 0.00 -3.19 0.00 0.00 -0.40 0.00 0.00 41.96 38.37 1a0j s TYR 217 CO 0.00 -0.84 0.00 0.41 -1.57 0.00 0.00 175.55 173.55 1a0j n GLY 219 N 5.12 0.13 3.08 0.71 0.00 -1.26 -4.66 105.19 108.31 1a0j n GLY 219 Ca -0.06 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 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 4.40 -0.44 -1.93 0.00 0.00 -1.26 -4.46 120.51 116.82 1a0j n ALA 221 Ca -0.22 0.23 -0.32 0.00 0.00 0.00 0.00 53.44 53.13 1a0j n ALA 221 Cb 0.53 -2.01 -0.03 0.00 0.00 0.00 0.00 19.45 17.94 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 -4.36 3.91 0.27 0.00 -0.21 -1.26 -1.33 119.66 116.68 1a0j s GLN 221 Ca 0.00 0.83 -0.30 0.00 0.02 0.00 0.00 55.36 55.92 1a0j s GLN 221 Cb 0.00 -2.20 -0.10 0.00 1.00 0.00 0.00 33.01 31.71 1a0j s GLN 221 CO 0.00 -0.21 1.42 0.50 -2.12 0.00 0.00 175.29 174.88 1a0j s ARG 222 N -4.00 4.27 -1.73 2.91 3.52 -1.26 -2.66 118.95 120.01 1a0j s ARG 222 Ca 0.57 2.30 0.00 0.00 -0.13 0.00 0.00 55.73 58.47 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 0.31 -0.38 0.00 0.09 -0.81 0.00 0.00 175.30 174.51 1a0j n ASN 223 N 1.93 -4.82 -3.22 -2.12 3.02 0.46 -4.91 115.26 105.60 1a0j n ASN 223 Ca 0.05 0.29 -0.24 0.00 -0.03 0.00 0.00 54.58 54.66 1a0j n ASN 223 Cb 0.40 -4.22 -0.06 0.00 -0.61 0.00 0.00 39.78 35.29 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 -2.46 1.40 -1.23 3.52 4.76 -1.09 -4.65 118.16 118.42 1a0j n LYS 224 Ca -0.19 -3.73 -0.29 0.00 -2.87 0.00 0.00 58.31 51.23 1a0j n LYS 224 Cb 0.61 -1.64 0.16 0.00 -1.84 0.00 0.00 35.03 32.32 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 -1.92 0.76 0.51 1.97 0.04 -1.26 -4.37 135.00 130.73 1a0j s PRO 225 Ca 0.38 0.58 -0.21 0.00 0.04 0.00 0.00 61.00 61.79 1a0j s PRO 225 Cb 0.21 -1.77 -0.06 0.00 0.04 0.00 0.00 34.50 32.92 1a0j s PRO 225 CO -0.08 -2.52 1.15 0.20 0.04 0.00 0.00 177.00 175.79 1a0j s GLY 226 N -3.52 2.70 -0.09 0.56 0.00 -1.13 -4.60 107.32 101.25 1a0j s GLY 226 Ca 0.65 0.89 0.02 0.00 0.00 0.00 0.00 44.72 46.28 1a0j s GLY 226 CO 0.57 1.29 -0.16 0.14 0.00 0.00 0.00 173.10 174.94 1a0j s VAL 227 N -1.66 2.84 0.07 1.40 1.01 -0.23 -1.94 120.40 121.89 1a0j s VAL 227 Ca 0.69 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.98 1a0j s VAL 227 Cb -0.26 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1a0j s VAL 227 CO 0.31 0.56 -0.19 -0.31 0.00 0.00 0.00 175.10 175.46 1a0j s TYR 228 N -0.12 1.64 0.18 5.22 1.51 0.15 -2.11 117.35 123.82 1a0j s TYR 228 Ca -0.02 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.33 1a0j s TYR 228 Cb -0.14 -0.93 -0.08 0.00 -0.11 0.00 0.00 41.96 40.69 1a0j s TYR 228 CO 0.04 0.13 1.30 0.99 -1.11 0.00 0.00 175.55 176.90 1a0j s THR 229 N -1.03 3.31 -0.87 -0.71 2.01 -0.46 -1.20 115.64 116.68 1a0j s THR 229 Ca 0.05 1.05 -0.22 0.00 0.31 0.00 0.00 61.69 62.88 1a0j s THR 229 Cb -0.09 -3.67 0.08 0.00 0.01 0.00 0.00 72.50 68.82 1a0j s THR 229 CO 0.03 0.15 1.21 -0.75 -0.69 0.00 0.00 174.62 174.56 1a0j s LYS 230 N 0.07 3.43 0.46 4.92 2.20 -0.14 -2.72 119.74 127.95 1a0j s LYS 230 Ca 0.57 -1.14 0.18 0.00 -0.36 0.00 0.00 55.97 55.22 1a0j s LYS 230 Cb -0.36 -4.78 1.09 0.00 -1.51 0.00 0.00 37.83 32.27 1a0j s LYS 230 CO 0.37 -1.96 1.99 0.28 -0.36 0.00 0.00 175.35 175.66 1a0j h VAL 231 N 6.18 0.99 0.00 4.02 2.07 -1.57 -2.17 116.25 125.77 1a0j h VAL 231 Ca 0.00 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1a0j h VAL 231 Cb 1.03 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1a0j h VAL 231 CO 1.24 0.19 0.00 0.00 0.02 0.00 0.00 177.57 179.02 1a0j n ASN 233 N -2.10 0.00 -0.22 0.00 3.02 -0.81 -3.78 115.26 111.37 1a0j n ASN 233 Ca 0.01 0.18 0.07 0.00 -0.03 0.00 0.00 54.58 54.80 1a0j n ASN 233 Cb 0.12 -0.39 0.12 0.00 -0.61 0.00 0.00 39.78 39.02 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 -1.39 0.17 -0.11 3.10 4.01 -0.17 -4.76 117.16 118.00 1a0j n TYR 234 Ca 0.11 -0.81 -0.07 0.00 -0.16 0.00 0.00 57.90 56.96 1a0j n TYR 234 Cb 0.29 -0.14 0.01 0.00 -0.31 0.00 0.00 39.34 39.18 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 0.42 0.43 -0.07 -0.72 3.08 -1.66 0.36 114.38 116.22 1a0j h ARG 235 Ca 0.00 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1a0j h ARG 235 Cb 0.91 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 1a0j h ARG 235 CO 0.03 0.29 0.01 0.77 -1.07 0.00 0.00 179.97 180.00 1a0j h SER 236 N 0.44 0.12 -0.42 7.04 0.02 -1.90 -1.68 113.55 117.17 1a0j h SER 236 Ca 0.15 -0.27 0.05 0.00 -0.84 0.00 0.00 61.79 60.88 1a0j h SER 236 Cb 0.01 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.47 1a0j h SER 236 CO -0.07 0.35 0.16 -0.25 -1.14 0.00 0.00 176.83 175.88 1a0j h TRP 237 N -0.12 0.28 -0.03 3.45 7.01 -1.82 0.52 115.95 125.23 1a0j h TRP 237 Ca 0.02 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 1a0j h TRP 237 Cb 0.29 -0.06 -0.00 0.00 -2.10 0.00 0.00 29.16 27.28 1a0j h TRP 237 CO 0.02 0.11 0.02 0.82 -2.79 0.00 0.00 178.44 176.62 1a0j h ILE 238 N 0.33 1.08 0.02 2.65 2.04 -0.93 -0.66 117.51 122.03 1a0j h ILE 238 Ca 0.19 -0.24 0.02 0.00 1.00 0.00 0.00 64.86 65.83 1a0j h ILE 238 Cb 0.17 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 1a0j h ILE 238 CO -0.19 0.07 -0.16 0.28 0.00 0.00 0.00 178.15 178.15 1a0j h SER 239 N -0.05 -0.47 -0.63 1.72 0.02 -0.96 -1.19 113.55 111.98 1a0j h SER 239 Ca 0.01 0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.95 1a0j h SER 239 Cb 0.10 0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 1a0j h SER 239 CO -0.00 -0.23 0.09 0.77 -1.14 0.00 0.00 176.83 176.32 1a0j h SER 240 N -0.28 1.02 -0.53 3.07 4.64 -0.85 -2.21 113.55 118.42 1a0j h SER 240 Ca 0.05 -0.25 -0.03 0.00 -0.47 0.00 0.00 61.79 61.09 1a0j h SER 240 Cb 0.34 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 1a0j h SER 240 CO -0.15 1.02 0.21 0.74 -0.87 0.00 0.00 176.83 177.78 1a0j h THR 241 N 0.99 1.22 -0.29 2.95 2.02 -0.94 0.51 112.91 119.36 1a0j h THR 241 Ca 0.19 -0.68 -0.06 0.00 0.77 0.00 0.00 66.41 66.64 1a0j h THR 241 Cb 0.45 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1a0j h THR 241 CO 0.01 0.26 -0.06 0.24 0.37 0.00 0.00 175.52 176.35 1a0j h MET 242 N 0.71 0.47 0.00 6.66 2.86 -1.15 -2.52 114.93 121.96 1a0j h MET 242 Ca 0.17 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 1a0j h MET 242 Cb 0.20 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 1a0j h MET 242 CO -0.01 0.54 -0.07 0.77 1.06 0.00 0.00 176.91 179.20 1a0j h SER 243 N 0.44 0.00 -0.41 1.22 0.02 -0.61 -3.31 113.55 110.91 1a0j h SER 243 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1a0j h SER 243 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1a0j h SER 243 CO 0.02 0.07 0.00 -1.54 -1.14 0.00 0.00 176.83 174.23 1a0j n SER 244 N -3.12 3.33 0.00 3.07 3.41 0.06 -5.08 113.62 115.29 1a0j n SER 244 Ca 0.04 -2.17 0.00 0.00 -0.26 0.00 0.00 58.87 56.47 1a0j n SER 244 Cb 0.54 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1a0j n SER 244 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47