#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3aau s VAL 2 N 0.00 4.76 -1.12 1.39 1.01 0.11 -4.04 120.40 122.51 3aau s VAL 2 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.92 3aau s VAL 2 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.28 3aau s VAL 2 CO 0.00 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.23 3aau n GLY 3 N 3.00 0.53 0.00 4.51 0.00 -1.24 -1.71 105.19 110.27 3aau n GLY 3 Ca -0.18 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.41 3aau n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3aau n GLY 4 N -1.25 2.80 3.13 -0.02 0.00 -1.26 -4.83 105.19 103.76 3aau n GLY 4 Ca -0.13 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 43.86 3aau n GLY 4 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3aau s TYR 5 N 2.41 0.75 -0.19 1.61 1.13 0.84 -4.93 117.35 118.97 3aau s TYR 5 Ca 0.00 -1.16 -0.29 0.00 -1.41 0.00 0.00 57.07 54.21 3aau s TYR 5 Cb 0.00 -0.46 -0.02 0.00 -1.10 0.00 0.00 41.96 40.38 3aau s TYR 5 CO 0.00 -0.45 1.46 0.99 -2.51 0.00 0.00 175.55 175.05 3aau s THR 6 N -3.98 3.92 0.12 -3.49 2.01 -1.26 0.40 115.64 113.37 3aau s THR 6 Ca 0.17 1.07 -0.22 0.00 0.31 0.00 0.00 61.69 63.02 3aau s THR 6 Cb 0.08 -3.83 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 3aau s THR 6 CO -0.03 -0.25 1.68 0.00 -0.69 0.00 0.00 174.62 175.34 3aau n GLY 8 N -1.26 3.41 3.68 0.00 0.00 -1.26 -4.85 105.19 104.91 3aau n GLY 8 Ca -0.04 -1.50 -0.52 0.00 0.00 0.00 0.00 46.02 43.96 3aau n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aau n ALA 9 N 0.28 0.22 -2.26 4.61 0.00 -1.26 -2.31 120.51 119.79 3aau n ALA 9 Ca 0.00 0.38 -0.19 0.00 0.00 0.00 0.00 53.44 53.63 3aau n ALA 9 Cb 0.00 -2.31 -0.02 0.00 0.00 0.00 0.00 19.45 17.12 3aau n ALA 9 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3aau n ASN 10 N 5.20 -5.41 -0.10 0.00 4.13 -1.26 -4.87 115.26 112.96 3aau n ASN 10 Ca 0.23 0.11 0.13 0.00 1.68 0.00 0.00 54.58 56.73 3aau n ASN 10 Cb 0.21 -4.56 0.41 0.00 -1.54 0.00 0.00 39.78 34.30 3aau n ASN 10 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3aau n THR 11 N -3.60 0.00 -3.35 3.41 -2.24 -0.98 -3.98 114.28 103.55 3aau n THR 11 Ca -0.22 -0.05 -0.26 0.00 -2.27 0.00 0.00 64.05 61.25 3aau n THR 11 Cb 0.66 0.12 -0.08 0.00 -2.10 0.00 0.00 70.33 68.94 3aau n THR 11 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3aau n VAL 12 N -1.14 1.19 0.27 2.28 0.31 -1.26 -4.98 118.33 115.00 3aau n VAL 12 Ca 0.10 -4.75 0.16 0.00 -0.01 0.00 0.00 64.34 59.84 3aau n VAL 12 Cb 0.33 -2.04 0.76 0.00 -0.91 0.00 0.00 33.84 31.98 3aau n VAL 12 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3aau h PRO 13 N 4.15 0.00 -0.01 5.55 0.13 -1.76 -1.37 132.00 138.70 3aau h PRO 13 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3aau h PRO 13 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3aau h PRO 13 CO 0.69 0.00 -0.44 2.48 -0.23 0.00 0.00 178.00 180.50 3aau n TYR 14 N -3.09 0.00 -2.50 1.56 0.18 -1.15 -2.05 117.16 110.10 3aau n TYR 14 Ca 0.01 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.36 3aau n TYR 14 Cb 0.48 -0.13 -0.03 0.00 -0.38 0.00 0.00 39.34 39.28 3aau n TYR 14 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 3aau s GLN 15 N -2.69 4.38 0.25 -3.48 2.00 -0.52 -1.21 119.66 118.39 3aau s GLN 15 Ca 0.18 1.63 0.11 0.00 -2.00 0.00 0.00 55.36 55.28 3aau s GLN 15 Cb 0.18 -3.52 -0.05 0.00 0.80 0.00 0.00 33.01 30.42 3aau s GLN 15 CO 0.62 -0.39 -0.18 0.14 -0.50 0.00 0.00 175.29 174.98 3aau s VAL 16 N 1.99 2.23 -0.13 1.34 -7.23 -0.44 -4.51 120.40 113.66 3aau s VAL 16 Ca 0.55 -2.33 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 3aau s VAL 16 Cb -0.24 -2.21 -0.01 0.00 0.56 0.00 0.00 36.38 34.48 3aau s VAL 16 CO 0.23 -0.45 -0.14 -0.55 -0.31 0.00 0.00 175.10 173.87 3aau s SER 17 N -3.41 3.89 -0.18 4.85 0.15 -0.60 -1.95 113.70 116.45 3aau s SER 17 Ca 0.27 -0.37 -0.18 0.00 0.70 0.00 0.00 55.95 56.37 3aau s SER 17 Cb -0.04 -1.59 -0.03 0.00 -1.71 0.00 0.00 66.02 62.65 3aau s SER 17 CO 0.12 0.15 0.50 -0.76 1.20 0.00 0.00 173.24 174.46 3aau s LEU 18 N 0.41 4.18 -0.07 3.45 1.43 0.24 -0.83 118.68 127.49 3aau s LEU 18 Ca -0.11 0.70 0.05 0.00 -1.03 0.00 0.00 54.13 53.74 3aau s LEU 18 Cb -0.16 -2.69 -0.00 0.00 0.03 0.00 0.00 46.19 43.36 3aau s LEU 18 CO 0.05 -0.13 -0.22 0.21 0.23 0.00 0.00 176.35 176.49 3aau s ASN 19 N 1.02 2.78 -0.30 2.29 3.84 0.09 -1.88 114.94 122.78 3aau s ASN 19 Ca 0.24 -0.47 0.15 0.00 0.21 0.00 0.00 52.86 52.99 3aau s ASN 19 Cb -0.15 -0.94 0.48 0.00 -0.55 0.00 0.00 41.25 40.09 3aau s ASN 19 CO 0.10 0.19 1.10 -1.54 -2.79 0.00 0.00 177.10 174.16 3aau n SER 20 N 3.20 2.89 0.00 -4.21 3.41 -1.26 -0.52 113.62 117.13 3aau n SER 20 Ca -0.18 -2.85 0.00 0.00 -0.26 0.00 0.00 58.87 55.58 3aau n SER 20 Cb 0.52 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 3aau n SER 20 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3aau n GLY 21 N -0.52 0.42 3.54 5.00 0.00 -1.26 -5.01 105.19 107.37 3aau n GLY 21 Ca 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 3aau n GLY 21 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3aau s TYR 22 N -2.00 -0.34 0.15 1.61 -0.85 -1.26 -5.14 117.35 109.52 3aau s TYR 22 Ca 0.00 0.38 -0.31 0.00 -0.52 0.00 0.00 57.07 56.62 3aau s TYR 22 Cb 0.00 0.50 -0.09 0.00 0.38 0.00 0.00 41.96 42.75 3aau s TYR 22 CO 0.00 -0.43 1.41 -1.58 -1.52 0.00 0.00 175.55 173.43 3aau s HIS 23 N -2.19 3.20 0.00 -3.49 5.65 -1.26 -4.34 115.29 112.86 3aau s HIS 23 Ca 0.02 0.96 0.00 0.00 0.25 0.00 0.00 55.06 56.29 3aau s HIS 23 Cb -0.01 -3.72 0.00 0.00 -1.18 0.00 0.00 32.58 27.68 3aau s HIS 23 CO -0.04 -2.47 0.00 1.97 -0.65 0.00 0.00 174.74 173.55 3aau n PHE 24 N 3.59 0.00 -3.48 3.88 -1.74 -0.79 -4.98 117.46 113.94 3aau n PHE 24 Ca 0.11 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.90 3aau n PHE 24 Cb 0.42 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.40 3aau n PHE 24 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3aau s GLY 26 N -2.60 1.81 0.16 0.00 0.00 0.14 -0.59 107.32 106.23 3aau s GLY 26 Ca 0.04 -1.85 -0.25 0.00 0.00 0.00 0.00 44.72 42.66 3aau s GLY 26 CO -0.10 -1.48 0.91 -0.32 0.00 0.00 0.00 173.10 172.12 3aau s GLY 27 N -4.56 -0.24 -0.06 0.20 0.00 -0.82 -3.63 107.32 98.21 3aau s GLY 27 Ca 0.60 0.14 0.02 0.00 0.00 0.00 0.00 44.72 45.48 3aau s GLY 27 CO 0.38 0.02 -0.12 -0.56 0.00 0.00 0.00 173.10 172.82 3aau s SER 28 N -2.90 1.71 -0.17 1.64 0.01 0.02 -1.32 113.70 112.69 3aau s SER 28 Ca 0.11 -0.29 -0.28 0.00 1.31 0.00 0.00 55.95 56.80 3aau s SER 28 Cb -0.02 -0.79 -0.00 0.00 0.21 0.00 0.00 66.02 65.41 3aau s SER 28 CO 0.02 0.03 0.98 -0.22 0.41 0.00 0.00 173.24 174.46 3aau s LEU 29 N 0.67 4.17 0.00 2.44 2.96 -0.35 -0.28 118.68 128.30 3aau s LEU 29 Ca -0.14 1.40 0.13 0.00 -0.22 0.00 0.00 54.13 55.30 3aau s LEU 29 Cb -0.16 -3.48 -0.10 0.00 0.50 0.00 0.00 46.19 42.95 3aau s LEU 29 CO 0.03 -0.52 0.63 2.30 -1.32 0.00 0.00 176.35 177.47 3aau n ILE 30 N 4.89 0.00 -3.71 6.68 -5.35 -0.59 -0.62 119.36 120.66 3aau n ILE 30 Ca 0.09 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 3aau n ILE 30 Cb 0.48 1.05 -0.00 0.00 -1.74 0.00 0.00 39.64 39.43 3aau n ILE 30 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3aau s ASN 31 N -2.07 -0.06 0.67 7.28 2.20 -1.22 -4.59 114.94 117.15 3aau s ASN 31 Ca 0.07 -0.23 0.33 0.00 -0.94 0.00 0.00 52.86 52.09 3aau s ASN 31 Cb 0.10 0.24 1.82 0.00 -2.00 0.00 0.00 41.25 41.42 3aau s ASN 31 CO 0.48 -0.46 2.03 0.77 -2.94 0.00 0.00 177.10 176.98 3aau h SER 32 N 2.00 0.00 -0.00 3.54 4.64 -1.96 -2.92 113.55 118.85 3aau h SER 32 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3aau h SER 32 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3aau h SER 32 CO 0.29 0.00 -0.02 0.00 -0.87 0.00 0.00 176.83 176.23 3aau n GLN 33 N -2.94 4.28 -4.43 4.77 6.02 -1.26 -0.26 117.38 123.56 3aau n GLN 33 Ca -0.02 -0.18 -0.21 0.00 -0.01 0.00 0.00 57.00 56.58 3aau n GLN 33 Cb 0.31 -0.69 -0.14 0.00 1.02 0.00 0.00 30.24 30.75 3aau n GLN 33 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3aau s TRP 34 N -0.74 1.36 0.00 1.08 0.52 -1.10 -0.49 118.94 119.57 3aau s TRP 34 Ca 0.00 -0.35 0.07 0.00 0.02 0.00 0.00 56.10 55.84 3aau s TRP 34 Cb 0.01 -0.81 -0.02 0.00 -1.15 0.00 0.00 33.47 31.50 3aau s TRP 34 CO 0.02 0.05 -0.20 0.08 0.02 0.00 0.00 176.95 176.92 3aau s VAL 35 N -0.82 1.61 -0.13 4.03 1.01 0.02 -1.54 120.40 124.59 3aau s VAL 35 Ca 0.03 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.04 3aau s VAL 35 Cb -0.08 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 3aau s VAL 35 CO 0.01 0.38 -0.06 -0.69 0.00 0.00 0.00 175.10 174.74 3aau s VAL 36 N -0.57 3.72 0.00 2.92 1.01 0.62 -0.67 120.40 127.44 3aau s VAL 36 Ca 0.08 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.62 3aau s VAL 36 Cb -0.08 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.71 3aau s VAL 36 CO -0.00 0.53 0.00 -0.24 0.00 0.00 0.00 175.10 175.39 3aau n SER 37 N 3.13 0.00 -4.85 3.32 2.88 0.00 -0.80 113.62 117.29 3aau n SER 37 Ca -0.18 -0.78 -0.35 0.00 -1.33 0.00 0.00 58.87 56.23 3aau n SER 37 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 3aau n SER 37 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3aau s ALA 38 N -1.76 3.67 0.39 -1.46 0.00 -1.26 -0.80 121.76 120.54 3aau s ALA 38 Ca 0.00 -0.26 0.10 0.00 0.00 0.00 0.00 51.96 51.79 3aau s ALA 38 Cb 0.00 -2.38 0.81 0.00 0.00 0.00 0.00 23.12 21.55 3aau s ALA 38 CO 0.00 0.51 1.93 0.00 0.00 0.00 0.00 175.76 178.20 3aau h ALA 39 N 3.79 1.54 0.00 0.00 0.00 -1.69 -1.60 119.26 121.30 3aau h ALA 39 Ca -0.49 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3aau h ALA 39 Cb 1.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3aau h ALA 39 CO 0.65 0.33 0.00 -2.39 0.00 0.00 0.00 179.25 177.85 3aau n HIS 40 N -4.30 0.00 1.20 0.00 1.44 -1.26 -1.32 115.22 110.99 3aau n HIS 40 Ca -0.01 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.83 3aau n HIS 40 Cb 0.25 -0.08 0.27 0.00 0.12 0.00 0.00 29.99 30.55 3aau n HIS 40 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3aau n TYR 42 N 0.72 2.62 -3.61 0.00 9.36 -0.43 -5.00 117.16 120.82 3aau n TYR 42 Ca 0.15 0.50 -0.04 0.00 3.32 0.00 0.00 57.90 61.83 3aau n TYR 42 Cb 0.49 -2.47 -0.03 0.00 -0.63 0.00 0.00 39.34 36.70 3aau n TYR 42 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 3aau s LYS 43 N -2.02 0.26 0.56 2.98 -2.85 -1.26 -5.14 119.74 112.26 3aau s LYS 43 Ca 0.55 -0.04 -0.06 0.00 -1.00 0.00 0.00 55.97 55.42 3aau s LYS 43 Cb -0.52 0.12 -0.01 0.00 -2.06 0.00 0.00 37.83 35.37 3aau s LYS 43 CO 0.63 -0.10 0.87 -1.54 0.10 0.00 0.00 175.35 175.31 3aau s SER 44 N -1.73 5.83 -0.82 0.03 1.04 -1.26 -4.43 113.70 112.36 3aau s SER 44 Ca 0.08 0.82 -0.03 0.00 0.48 0.00 0.00 55.95 57.29 3aau s SER 44 Cb -0.01 -1.91 0.00 0.00 0.10 0.00 0.00 66.02 64.20 3aau s SER 44 CO -0.05 -0.91 0.71 0.61 0.98 0.00 0.00 173.24 174.58 3aau n GLY 45 N -2.50 -0.03 3.78 7.32 0.00 -1.26 -5.01 105.19 107.50 3aau n GLY 45 Ca 0.03 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 3aau n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3aau s ILE 46 N -3.21 4.83 -0.15 -0.61 1.01 -1.26 -4.56 121.20 117.25 3aau s ILE 46 Ca 0.22 1.24 0.01 0.00 0.00 0.00 0.00 60.65 62.12 3aau s ILE 46 Cb -0.10 -3.92 0.01 0.00 0.01 0.00 0.00 42.46 38.46 3aau s ILE 46 CO 0.46 0.47 -0.19 -1.58 0.00 0.00 0.00 174.94 174.11 3aau s GLN 47 N -0.56 3.10 -0.10 2.79 0.74 0.32 -1.22 119.66 124.73 3aau s GLN 47 Ca 0.30 -0.81 -0.21 0.00 0.05 0.00 0.00 55.36 54.69 3aau s GLN 47 Cb -0.19 -2.54 -0.04 0.00 1.10 0.00 0.00 33.01 31.35 3aau s GLN 47 CO 0.18 -0.02 0.61 0.08 -0.55 0.00 0.00 175.29 175.59 3aau s VAL 48 N 0.87 5.10 -0.28 1.34 1.01 0.50 -0.73 120.40 128.20 3aau s VAL 48 Ca -0.05 1.24 -0.02 0.00 0.00 0.00 0.00 61.98 63.15 3aau s VAL 48 Cb -0.15 -3.95 0.04 0.00 0.00 0.00 0.00 36.38 32.31 3aau s VAL 48 CO -0.02 0.26 -0.02 -0.13 0.00 0.00 0.00 175.10 175.19 3aau s ARG 49 N 0.85 2.64 0.28 2.72 0.52 -0.01 -1.23 118.95 124.72 3aau s ARG 49 Ca 0.32 -1.12 0.07 0.00 -0.52 0.00 0.00 55.73 54.48 3aau s ARG 49 Cb -0.17 -3.12 -0.03 0.00 0.52 0.00 0.00 34.95 32.16 3aau s ARG 49 CO 0.14 -0.52 0.27 -0.51 0.02 0.00 0.00 175.30 174.71 3aau s LEU 50 N 1.30 3.84 -1.30 2.53 1.02 -0.30 -1.56 118.68 124.21 3aau s LEU 50 Ca -0.02 -0.27 0.00 0.00 0.02 0.00 0.00 54.13 53.86 3aau s LEU 50 Cb -0.18 -2.42 0.00 0.00 0.02 0.00 0.00 46.19 43.61 3aau s LEU 50 CO -0.02 -0.16 0.00 0.61 0.02 0.00 0.00 176.35 176.80 3aau n GLY 51 N -1.30 0.24 3.86 -3.19 0.00 -1.26 -1.33 105.19 102.21 3aau n GLY 51 Ca -0.06 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 3aau n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3aau s GLU 52 N -4.31 3.85 0.00 1.61 0.41 -1.26 -3.66 118.70 115.34 3aau s GLU 52 Ca 0.00 0.31 0.00 0.00 -0.41 0.00 0.00 54.97 54.87 3aau s GLU 52 Cb 0.00 -2.93 0.00 0.00 -1.78 0.00 0.00 34.13 29.42 3aau s GLU 52 CO 0.00 0.50 0.00 -3.47 -0.49 0.00 0.00 175.26 171.80 3aau n ASP 53 N 0.72 0.00 -4.63 -0.19 2.03 -1.26 -4.54 116.55 108.68 3aau n ASP 53 Ca -0.06 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.82 3aau n ASP 53 Cb 0.52 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.90 3aau n ASP 53 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 3aau s ASN 54 N 1.00 6.81 0.00 1.67 3.84 -1.25 -3.31 114.94 123.70 3aau s ASN 54 Ca 0.00 0.89 0.27 0.00 0.21 0.00 0.00 52.86 54.23 3aau s ASN 54 Cb 0.00 -2.55 1.52 0.00 -0.55 0.00 0.00 41.25 39.68 3aau s ASN 54 CO 0.00 -1.02 1.94 2.30 -2.79 0.00 0.00 177.10 177.53 3aau n ILE 55 N 6.22 0.05 0.25 -5.21 -5.35 -0.21 -2.96 119.36 112.15 3aau n ILE 55 Ca 0.12 0.01 0.05 0.00 -0.27 0.00 0.00 62.75 62.66 3aau n ILE 55 Cb 0.48 -0.59 0.06 0.00 -1.74 0.00 0.00 39.64 37.85 3aau n ILE 55 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3aau n ASN 56 N -1.09 2.04 -3.87 7.28 3.02 -1.26 -4.97 115.26 116.41 3aau n ASN 56 Ca 0.18 -1.55 -0.18 0.00 -0.03 0.00 0.00 54.58 53.00 3aau n ASN 56 Cb 0.13 -0.05 -0.16 0.00 -0.61 0.00 0.00 39.78 39.09 3aau n ASN 56 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3aau s VAL 57 N -0.84 0.39 -0.34 2.41 1.01 -1.16 -5.10 120.40 116.78 3aau s VAL 57 Ca 0.13 -0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 3aau s VAL 57 Cb 0.08 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 36.04 3aau s VAL 57 CO 0.12 0.18 1.23 -0.69 0.00 0.00 0.00 175.10 175.95 3aau s VAL 58 N 0.87 4.23 -0.62 2.92 1.01 -1.26 -4.68 120.40 122.85 3aau s VAL 58 Ca -0.10 1.37 0.17 0.00 0.00 0.00 0.00 61.98 63.41 3aau s VAL 58 Cb -0.13 -4.29 -0.20 0.00 0.00 0.00 0.00 36.38 31.76 3aau s VAL 58 CO -0.00 -0.57 0.64 -0.62 0.00 0.00 0.00 175.10 174.55 3aau n GLU 59 N 7.33 1.27 0.00 2.72 1.02 -1.26 -5.03 120.64 126.69 3aau n GLU 59 Ca 0.14 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 3aau n GLU 59 Cb 0.47 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 3aau n GLU 59 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3aau n GLY 60 N 1.42 1.60 0.13 0.62 0.00 -1.26 -4.98 105.19 102.73 3aau n GLY 60 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.05 3aau n GLY 60 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3aau n ASN 61 N 0.00 1.97 -4.79 1.61 4.13 -1.26 -5.06 115.26 111.85 3aau n ASN 61 Ca 0.00 -1.79 -0.33 0.00 1.68 0.00 0.00 54.58 54.14 3aau n ASN 61 Cb 0.00 -0.04 0.02 0.00 -1.54 0.00 0.00 39.78 38.22 3aau n ASN 61 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 3aau s GLU 62 N -0.81 3.23 -0.16 3.52 8.01 -1.24 -4.33 118.70 126.92 3aau s GLU 62 Ca 0.05 1.29 -0.05 0.00 0.01 0.00 0.00 54.97 56.26 3aau s GLU 62 Cb 0.02 -2.02 0.06 0.00 -4.31 0.00 0.00 34.13 27.89 3aau s GLU 62 CO 0.03 -0.89 0.09 -0.65 0.01 0.00 0.00 175.26 173.85 3aau s GLN 63 N -3.97 0.05 -0.33 1.61 -0.21 -0.44 -4.96 119.66 111.41 3aau s GLN 63 Ca 0.65 -0.01 -0.12 0.00 0.02 0.00 0.00 55.36 55.90 3aau s GLN 63 Cb -0.18 -1.64 -0.02 0.00 1.00 0.00 0.00 33.01 32.18 3aau s GLN 63 CO 0.36 -0.63 0.22 -0.06 -2.12 0.00 0.00 175.29 173.07 3aau s PHE 64 N 2.15 3.22 -0.08 0.91 0.08 -1.26 -1.15 117.98 121.85 3aau s PHE 64 Ca 0.03 -0.20 0.00 0.00 0.12 0.00 0.00 56.93 56.88 3aau s PHE 64 Cb -0.15 -2.45 0.02 0.00 -0.57 0.00 0.00 43.02 39.87 3aau s PHE 64 CO -0.08 -0.34 -0.06 0.42 -0.10 0.00 0.00 175.22 175.06 3aau s ILE 65 N 1.72 0.77 0.51 0.64 1.01 -0.37 -4.99 121.20 120.49 3aau s ILE 65 Ca 0.06 -0.19 -0.21 0.00 0.00 0.00 0.00 60.65 60.31 3aau s ILE 65 Cb -0.17 -0.80 -0.06 0.00 0.01 0.00 0.00 42.46 41.44 3aau s ILE 65 CO 0.10 0.30 1.18 -0.44 0.00 0.00 0.00 174.94 176.08 3aau s SER 66 N 1.33 5.85 0.17 3.58 0.01 -1.26 -0.37 113.70 123.00 3aau s SER 66 Ca -0.04 2.32 -0.26 0.00 1.31 0.00 0.00 55.95 59.28 3aau s SER 66 Cb -0.14 -2.60 -0.08 0.00 0.21 0.00 0.00 66.02 63.42 3aau s SER 66 CO -0.03 -1.14 0.80 0.00 0.41 0.00 0.00 173.24 173.29 3aau s ALA 67 N -1.60 3.43 -0.13 1.44 0.00 -0.36 -0.76 121.76 123.78 3aau s ALA 67 Ca 0.69 0.40 0.19 0.00 0.00 0.00 0.00 51.96 53.23 3aau s ALA 67 Cb -0.28 -3.00 -0.26 0.00 0.00 0.00 0.00 23.12 19.58 3aau s ALA 67 CO 0.33 0.26 0.34 -1.13 0.00 0.00 0.00 175.76 175.57 3aau n SER 68 N 1.69 0.16 -3.63 0.00 3.41 0.24 -4.74 113.62 110.75 3aau n SER 68 Ca -0.05 0.07 -0.15 0.00 -0.26 0.00 0.00 58.87 58.48 3aau n SER 68 Cb 0.49 1.19 -0.07 0.00 -0.26 0.00 0.00 64.21 65.55 3aau n SER 68 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3aau s LYS 69 N -2.92 0.83 -0.01 4.33 2.20 -1.22 -5.02 119.74 117.94 3aau s LYS 69 Ca -0.08 0.69 0.08 0.00 -0.36 0.00 0.00 55.97 56.30 3aau s LYS 69 Cb 0.09 0.40 -0.02 0.00 -1.51 0.00 0.00 37.83 36.79 3aau s LYS 69 CO 0.85 -0.15 -0.24 -1.12 -0.36 0.00 0.00 175.35 174.32 3aau s SER 70 N -0.12 2.88 -0.26 1.43 0.01 -1.26 -0.77 113.70 115.61 3aau s SER 70 Ca -0.03 -0.45 -0.01 0.00 1.31 0.00 0.00 55.95 56.76 3aau s SER 70 Cb -0.03 -0.31 0.08 0.00 0.21 0.00 0.00 66.02 65.96 3aau s SER 70 CO 0.03 0.29 0.05 -0.63 0.41 0.00 0.00 173.24 173.39 3aau s ILE 71 N -0.59 0.98 0.30 1.44 1.01 0.11 -4.99 121.20 119.46 3aau s ILE 71 Ca 0.10 -1.17 -0.27 0.00 0.00 0.00 0.00 60.65 59.30 3aau s ILE 71 Cb -0.09 -1.57 -0.10 0.00 0.01 0.00 0.00 42.46 40.71 3aau s ILE 71 CO -0.01 -0.42 0.94 -0.69 0.00 0.00 0.00 174.94 174.77 3aau s VAL 72 N 1.60 4.18 0.27 2.92 1.01 -1.26 -0.72 120.40 128.40 3aau s VAL 72 Ca 0.04 1.89 -0.30 0.00 0.00 0.00 0.00 61.98 63.61 3aau s VAL 72 Cb -0.18 -4.09 -0.14 0.00 0.00 0.00 0.00 36.38 31.97 3aau s VAL 72 CO -0.16 0.23 1.22 1.57 0.00 0.00 0.00 175.10 177.97 3aau n HIS 73 N 0.80 1.77 0.19 5.22 -0.00 -0.81 -4.84 115.22 117.55 3aau n HIS 73 Ca 0.01 0.58 0.18 0.00 0.46 0.00 0.00 57.72 58.96 3aau n HIS 73 Cb 0.49 -2.36 0.82 0.00 -0.12 0.00 0.00 29.99 28.82 3aau n HIS 73 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3aau h PRO 74 N 3.01 0.00 -0.18 1.57 0.13 -1.93 -2.34 132.00 132.26 3aau h PRO 74 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3aau h PRO 74 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3aau h PRO 74 CO 0.67 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.87 3aau n SER 75 N -3.57 3.16 -4.72 1.44 7.64 -1.26 -5.03 113.62 111.28 3aau n SER 75 Ca 0.03 -2.80 -0.42 0.00 1.01 0.00 0.00 58.87 56.68 3aau n SER 75 Cb 0.43 -0.42 -0.03 0.00 -1.01 0.00 0.00 64.21 63.18 3aau n SER 75 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3aau n TYR 76 N -0.62 2.73 -4.04 1.43 9.36 -0.88 -4.71 117.16 120.42 3aau n TYR 76 Ca 0.17 0.07 -0.33 0.00 3.32 0.00 0.00 57.90 61.13 3aau n TYR 76 Cb 0.70 -2.66 -0.15 0.00 -0.63 0.00 0.00 39.34 36.60 3aau n TYR 76 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3aau s ASN 77 N 1.09 4.41 0.46 2.98 3.84 -0.77 -5.00 114.94 121.95 3aau s ASN 77 Ca 0.74 -1.30 0.31 0.00 0.21 0.00 0.00 52.86 52.82 3aau s ASN 77 Cb -0.52 -1.57 1.30 0.00 -0.55 0.00 0.00 41.25 39.91 3aau s ASN 77 CO 0.34 -0.18 1.91 0.77 -2.79 0.00 0.00 177.10 177.15 3aau h SER 78 N 7.83 0.00 0.18 -4.21 4.64 -1.94 0.55 113.55 120.61 3aau h SER 78 Ca -0.22 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.86 3aau h SER 78 Cb 1.05 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.17 3aau h SER 78 CO 0.49 0.00 -1.09 0.78 -0.87 0.00 0.00 176.83 176.14 3aau h ASN 79 N 0.00 0.60 0.18 4.97 2.35 -1.97 -3.36 115.58 118.35 3aau h ASN 79 Ca 0.00 -0.94 0.00 0.00 -0.55 0.00 0.00 56.30 54.81 3aau h ASN 79 Cb 0.43 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.60 3aau h ASN 79 CO 0.00 1.52 -1.38 0.35 -1.65 0.00 0.00 177.43 176.27 3aau n THR 80 N -3.97 0.08 -1.29 2.81 -2.24 -1.20 -4.97 114.28 103.51 3aau n THR 80 Ca -0.16 -0.29 -0.10 0.00 -2.27 0.00 0.00 64.05 61.24 3aau n THR 80 Cb 0.93 0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 69.43 3aau n THR 80 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3aau n LEU 81 N -1.98 -0.60 -4.75 3.22 4.77 0.19 -4.98 117.00 112.87 3aau n LEU 81 Ca 0.00 0.24 -0.41 0.00 -0.03 0.00 0.00 56.01 55.82 3aau n LEU 81 Cb 0.46 -1.86 -0.03 0.00 -2.33 0.00 0.00 43.42 39.67 3aau n LEU 81 CO 0.43 -0.64 0.93 0.21 -1.33 0.00 0.00 177.39 176.99 3aau s ASN 82 N -2.70 6.98 -0.84 -1.43 2.47 -1.18 -2.90 114.94 115.35 3aau s ASN 82 Ca 0.00 2.40 -0.04 0.00 0.42 0.00 0.00 52.86 55.64 3aau s ASN 82 Cb 0.00 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.18 3aau s ASN 82 CO 0.00 -0.43 0.72 0.59 -3.72 0.00 0.00 177.10 174.26 3aau n ASN 83 N 1.98 -3.99 -4.11 -4.21 4.13 -1.26 -1.85 115.26 105.95 3aau n ASN 83 Ca 0.03 -0.36 -0.42 0.00 1.68 0.00 0.00 54.58 55.51 3aau n ASN 83 Cb 0.43 -3.41 -0.00 0.00 -1.54 0.00 0.00 39.78 35.26 3aau n ASN 83 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3aau n ASP 84 N -1.66 4.26 -3.81 6.41 2.03 -1.14 -4.31 116.55 118.32 3aau n ASP 84 Ca -0.05 -2.86 -0.12 0.00 0.52 0.00 0.00 54.79 52.27 3aau n ASP 84 Cb 0.56 -1.68 -0.10 0.00 -0.72 0.00 0.00 41.12 39.18 3aau n ASP 84 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3aau s ILE 85 N 3.90 0.04 -0.07 5.18 2.07 -1.26 -3.78 121.20 127.28 3aau s ILE 85 Ca 0.51 -0.35 -0.13 0.00 -1.41 0.00 0.00 60.65 59.27 3aau s ILE 85 Cb 0.09 -0.45 0.03 0.00 0.13 0.00 0.00 42.46 42.26 3aau s ILE 85 CO -0.00 -0.19 0.32 -0.32 -1.91 0.00 0.00 174.94 172.83 3aau s MET 86 N -0.76 0.52 -0.07 3.50 -2.45 0.01 -1.93 119.30 118.12 3aau s MET 86 Ca -0.08 0.15 -0.02 0.00 -1.25 0.00 0.00 55.69 54.49 3aau s MET 86 Cb -0.05 0.24 -0.03 0.00 1.25 0.00 0.00 34.83 36.24 3aau s MET 86 CO 0.02 -0.11 0.01 -0.51 1.05 0.00 0.00 175.02 175.48 3aau s LEU 87 N -0.52 3.63 -0.10 4.11 1.43 0.10 -0.82 118.68 126.51 3aau s LEU 87 Ca -0.06 0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.19 3aau s LEU 87 Cb -0.04 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.31 3aau s LEU 87 CO 0.02 0.36 -0.13 -0.63 0.23 0.00 0.00 176.35 176.21 3aau s ILE 88 N -0.94 1.29 -0.14 -0.59 1.01 0.16 0.04 121.20 122.03 3aau s ILE 88 Ca 0.15 -0.51 -0.08 0.00 0.00 0.00 0.00 60.65 60.21 3aau s ILE 88 Cb -0.11 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.11 3aau s ILE 88 CO 0.04 0.40 0.14 -0.75 0.00 0.00 0.00 174.94 174.77 3aau s LYS 89 N 1.08 3.61 0.19 2.79 2.20 0.05 -0.80 119.74 128.87 3aau s LYS 89 Ca -0.06 -0.15 -0.22 0.00 -0.36 0.00 0.00 55.97 55.17 3aau s LYS 89 Cb -0.15 -3.24 -0.08 0.00 -1.51 0.00 0.00 37.83 32.85 3aau s LYS 89 CO -0.02 0.67 0.75 -0.51 -0.36 0.00 0.00 175.35 175.88 3aau s LEU 90 N -0.71 4.46 0.52 5.43 1.43 0.35 -0.60 118.68 129.58 3aau s LEU 90 Ca 0.13 1.53 0.17 0.00 -1.03 0.00 0.00 54.13 54.94 3aau s LEU 90 Cb -0.12 -3.44 1.31 0.00 0.03 0.00 0.00 46.19 43.97 3aau s LEU 90 CO 0.03 0.12 2.14 0.11 0.23 0.00 0.00 176.35 178.98 3aau h LYS 91 N 3.87 0.00 -3.98 1.70 1.57 -1.24 -3.43 116.57 115.06 3aau h LYS 91 Ca -0.48 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.13 3aau h LYS 91 Cb 1.20 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.30 3aau h LYS 91 CO 0.65 0.00 -0.70 -1.54 -0.57 0.00 0.00 179.45 177.29 3aau s SER 92 N -6.95 0.24 0.22 0.86 1.04 -1.26 -5.01 113.70 102.84 3aau s SER 92 Ca -0.05 -0.49 -0.30 0.00 0.48 0.00 0.00 55.95 55.59 3aau s SER 92 Cb 0.17 0.10 -0.09 0.00 0.10 0.00 0.00 66.02 66.30 3aau s SER 92 CO 0.67 -0.29 1.35 0.00 0.98 0.00 0.00 173.24 175.95 3aau s ALA 93 N -1.42 3.56 0.61 5.32 0.00 -1.26 -4.87 121.76 123.70 3aau s ALA 93 Ca -0.16 1.19 -0.16 0.00 0.00 0.00 0.00 51.96 52.83 3aau s ALA 93 Cb -0.10 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 3aau s ALA 93 CO -0.01 -0.61 1.08 0.00 0.00 0.00 0.00 175.76 176.23 3aau s ALA 94 N 0.03 2.64 -0.51 0.00 0.00 0.64 -4.98 121.76 119.59 3aau s ALA 94 Ca 0.57 0.50 -0.21 0.00 0.00 0.00 0.00 51.96 52.82 3aau s ALA 94 Cb -0.38 -3.28 0.05 0.00 0.00 0.00 0.00 23.12 19.51 3aau s ALA 94 CO 0.40 -0.95 0.74 -1.12 0.00 0.00 0.00 175.76 174.83 3aau s SER 95 N -2.58 6.29 0.13 0.00 0.01 -1.26 -4.84 113.70 111.44 3aau s SER 95 Ca 0.66 -0.59 -0.30 0.00 1.31 0.00 0.00 55.95 57.02 3aau s SER 95 Cb -0.18 -2.35 -0.07 0.00 0.21 0.00 0.00 66.02 63.63 3aau s SER 95 CO 0.37 -0.98 1.12 -0.76 0.41 0.00 0.00 173.24 173.39 3aau s LEU 96 N 3.12 4.44 0.00 2.44 1.43 -1.26 -4.83 118.68 124.03 3aau s LEU 96 Ca 0.22 2.03 0.00 0.00 -1.03 0.00 0.00 54.13 55.35 3aau s LEU 96 Cb -0.16 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.47 3aau s LEU 96 CO 0.16 -0.30 0.00 -0.46 0.23 0.00 0.00 176.35 175.98 3aau n ASN 97 N 2.97 0.00 0.25 2.29 0.23 0.03 -4.99 115.26 116.04 3aau n ASN 97 Ca 0.05 -0.66 0.12 0.00 -0.53 0.00 0.00 54.58 53.55 3aau n ASN 97 Cb 0.47 0.00 0.63 0.00 -2.08 0.00 0.00 39.78 38.80 3aau n ASN 97 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3aau h SER 98 N 0.00 0.00 0.00 0.53 4.64 -2.00 -3.04 113.55 113.68 3aau h SER 98 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3aau h SER 98 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3aau h SER 98 CO 0.00 0.16 -1.09 0.54 -0.87 0.00 0.00 176.83 175.57 3aau n ARG 99 N -3.54 0.41 -3.68 4.77 1.74 -1.26 -4.74 116.66 110.35 3aau n ARG 99 Ca -0.01 -0.03 -0.30 0.00 -0.77 0.00 0.00 57.85 56.75 3aau n ARG 99 Cb 0.31 -1.45 -0.15 0.00 -1.02 0.00 0.00 32.46 30.15 3aau n ARG 99 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3aau s VAL 100 N -2.97 0.68 0.06 1.55 1.01 -1.15 -4.35 120.40 115.23 3aau s VAL 100 Ca 0.05 -1.33 0.01 0.00 0.00 0.00 0.00 61.98 60.71 3aau s VAL 100 Cb 0.15 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 3aau s VAL 100 CO 0.83 -0.71 -0.05 0.00 0.00 0.00 0.00 175.10 175.17 3aau s ALA 101 N 1.64 0.62 0.48 5.51 0.00 -0.87 -0.79 121.76 128.35 3aau s ALA 101 Ca 0.10 -1.08 -0.11 0.00 0.00 0.00 0.00 51.96 50.87 3aau s ALA 101 Cb -0.17 0.17 -0.06 0.00 0.00 0.00 0.00 23.12 23.05 3aau s ALA 101 CO -0.26 -0.22 0.87 -1.54 0.00 0.00 0.00 175.76 174.61 3aau s SER 102 N -2.48 6.47 -0.09 0.00 1.04 -1.26 -2.96 113.70 114.43 3aau s SER 102 Ca 0.02 1.27 0.01 0.00 0.48 0.00 0.00 55.95 57.72 3aau s SER 102 Cb 0.01 -2.39 -0.03 0.00 0.10 0.00 0.00 66.02 63.72 3aau s SER 102 CO -0.05 -0.55 -0.09 -0.51 0.98 0.00 0.00 173.24 173.03 3aau s ILE 103 N -2.62 3.53 0.49 -1.02 1.10 0.21 -4.89 121.20 118.00 3aau s ILE 103 Ca 0.53 -0.53 -0.22 0.00 -0.51 0.00 0.00 60.65 59.92 3aau s ILE 103 Cb -0.10 -2.45 -0.07 0.00 0.15 0.00 0.00 42.46 39.99 3aau s ILE 103 CO 0.37 0.57 1.21 -0.44 -2.11 0.00 0.00 174.94 174.54 3aau s SER 104 N -0.47 5.92 0.39 4.50 0.01 -1.25 -4.58 113.70 118.22 3aau s SER 104 Ca 0.07 2.41 -0.14 0.00 1.31 0.00 0.00 55.95 59.59 3aau s SER 104 Cb -0.12 -2.61 -0.08 0.00 0.21 0.00 0.00 66.02 63.42 3aau s SER 104 CO 0.02 -1.10 0.81 -0.76 0.41 0.00 0.00 173.24 172.62 3aau s LEU 105 N -3.20 3.90 0.61 2.44 1.43 -1.26 -1.32 118.68 121.28 3aau s LEU 105 Ca 0.66 1.33 -0.16 0.00 -1.03 0.00 0.00 54.13 54.93 3aau s LEU 105 Cb -0.31 -4.18 -0.03 0.00 0.03 0.00 0.00 46.19 41.70 3aau s LEU 105 CO 0.37 -0.35 1.09 -2.16 0.23 0.00 0.00 176.35 175.53 3aau s PRO 106 N -3.47 3.14 -0.01 1.29 0.04 -1.26 -4.80 135.00 129.93 3aau s PRO 106 Ca 0.55 1.34 0.19 0.00 0.04 0.00 0.00 61.00 63.11 3aau s PRO 106 Cb -0.10 -2.00 -0.25 0.00 0.04 0.00 0.00 34.50 32.19 3aau s PRO 106 CO 0.24 -0.97 0.58 0.25 0.04 0.00 0.00 177.00 177.13 3aau n THR 107 N -2.04 0.00 -3.56 1.26 -2.24 -1.26 -4.96 114.28 101.47 3aau n THR 107 Ca 0.10 -0.27 -0.13 0.00 -2.27 0.00 0.00 64.05 61.47 3aau n THR 107 Cb 0.52 0.47 -0.05 0.00 -2.10 0.00 0.00 70.33 69.18 3aau n THR 107 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3aau s SER 108 N -3.56 -0.42 0.52 3.42 1.04 -1.26 -5.16 113.70 108.28 3aau s SER 108 Ca -0.01 0.06 -0.20 0.00 0.48 0.00 0.00 55.95 56.29 3aau s SER 108 Cb 0.13 0.50 -0.07 0.00 0.10 0.00 0.00 66.02 66.68 3aau s SER 108 CO 0.78 -0.78 1.10 0.00 0.98 0.00 0.00 173.24 175.32 3aau s ALA 110 N -1.82 2.89 0.32 0.00 0.00 -1.26 -5.09 121.76 116.80 3aau s ALA 110 Ca 0.70 -0.48 0.09 0.00 0.00 0.00 0.00 51.96 52.27 3aau s ALA 110 Cb -0.22 -2.95 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 3aau s ALA 110 CO 0.25 -1.24 0.09 -1.12 0.00 0.00 0.00 175.76 173.74 3aau s SER 111 N -4.41 4.63 0.38 0.00 0.01 -1.26 -5.06 113.70 107.98 3aau s SER 111 Ca 0.59 -0.74 -0.28 0.00 1.31 0.00 0.00 55.95 56.83 3aau s SER 111 Cb -0.11 -0.77 -0.11 0.00 0.21 0.00 0.00 66.02 65.24 3aau s SER 111 CO 0.50 -0.20 1.49 0.00 0.41 0.00 0.00 173.24 175.45 3aau s ALA 112 N -2.39 3.58 0.00 1.44 0.00 -1.26 -1.91 121.76 121.22 3aau s ALA 112 Ca 0.35 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.90 3aau s ALA 112 Cb -0.04 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.47 3aau s ALA 112 CO 0.22 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.32 3aau n GLY 113 N 0.47 3.32 3.71 0.00 0.00 0.86 -4.95 105.19 108.60 3aau n GLY 113 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3aau n GLY 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3aau s THR 114 N -2.95 2.39 0.10 2.61 2.01 -0.80 -4.60 115.64 114.39 3aau s THR 114 Ca 0.00 0.20 -0.28 0.00 0.31 0.00 0.00 61.69 61.92 3aau s THR 114 Cb 0.00 -3.13 -0.06 0.00 0.01 0.00 0.00 72.50 69.32 3aau s THR 114 CO 0.00 0.01 0.89 -1.10 -0.69 0.00 0.00 174.62 173.73 3aau s GLN 115 N 1.52 4.64 0.23 4.92 -1.52 -1.26 -1.26 119.66 126.94 3aau s GLN 115 Ca 0.74 1.32 0.02 0.00 -1.95 0.00 0.00 55.36 55.49 3aau s GLN 115 Cb -0.46 -3.36 -0.05 0.00 -0.22 0.00 0.00 33.01 28.91 3aau s GLN 115 CO 0.32 0.26 0.06 0.00 -0.25 0.00 0.00 175.29 175.69 3aau s LEU 117 N -3.27 2.64 -0.09 0.00 2.96 0.12 -1.22 118.68 119.81 3aau s LEU 117 Ca 0.33 -0.47 -0.00 0.00 -0.22 0.00 0.00 54.13 53.77 3aau s LEU 117 Cb 0.07 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 3aau s LEU 117 CO 0.11 -0.00 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.43 3aau s ILE 118 N 1.34 3.61 0.05 6.68 1.01 0.18 -1.30 121.20 132.77 3aau s ILE 118 Ca 0.04 -0.50 -0.04 0.00 0.00 0.00 0.00 60.65 60.16 3aau s ILE 118 Cb -0.14 -2.50 -0.02 0.00 0.01 0.00 0.00 42.46 39.81 3aau s ILE 118 CO -0.06 0.57 0.05 -0.94 0.00 0.00 0.00 174.94 174.56 3aau s SER 119 N -0.40 0.29 0.00 3.58 1.04 -1.20 -0.73 113.70 116.28 3aau s SER 119 Ca 0.06 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.76 3aau s SER 119 Cb -0.12 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.22 3aau s SER 119 CO 0.02 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.29 3aau n GLY 120 N 0.45 0.30 1.45 7.32 0.00 -0.74 -4.36 105.19 109.61 3aau n GLY 120 Ca -0.17 -1.07 0.02 0.00 0.00 0.00 0.00 46.02 44.80 3aau n GLY 120 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3aau n TRP 121 N -0.55 1.64 -1.50 1.61 8.01 -1.26 -1.88 117.44 123.51 3aau n TRP 121 Ca 0.00 -1.05 -0.30 0.00 -1.31 0.00 0.00 57.50 54.84 3aau n TRP 121 Cb 0.00 -0.49 0.22 0.00 -2.01 0.00 0.00 31.31 29.03 3aau n TRP 121 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 3aau s GLY 122 N -1.54 1.70 0.28 6.99 0.00 -1.25 -4.37 107.32 109.13 3aau s GLY 122 Ca 0.49 -1.15 -0.29 0.00 0.00 0.00 0.00 44.72 43.77 3aau s GLY 122 CO 0.10 -0.29 1.18 -2.01 0.00 0.00 0.00 173.10 172.08 3aau n ASN 123 N -4.33 1.98 -0.67 1.64 2.85 0.37 -2.93 115.26 114.17 3aau n ASN 123 Ca 0.15 1.18 0.09 0.00 -0.11 0.00 0.00 54.58 55.89 3aau n ASN 123 Cb 0.59 -1.36 0.06 0.00 1.24 0.00 0.00 39.78 40.32 3aau n ASN 123 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 3aau n THR 124 N 0.69 0.00 -4.26 -0.44 -2.24 -0.56 -1.30 114.28 106.17 3aau n THR 124 Ca 0.09 -0.48 -0.35 0.00 -2.27 0.00 0.00 64.05 61.05 3aau n THR 124 Cb 0.32 1.35 -0.10 0.00 -2.10 0.00 0.00 70.33 69.80 3aau n THR 124 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3aau s LYS 125 N -1.55 3.39 0.21 -0.78 -0.14 -1.26 -4.32 119.74 115.29 3aau s LYS 125 Ca 0.20 -0.40 0.05 0.00 -1.36 0.00 0.00 55.97 54.47 3aau s LYS 125 Cb 0.15 -2.94 0.16 0.00 -1.68 0.00 0.00 37.83 33.51 3aau s LYS 125 CO 0.25 0.51 1.49 0.66 -0.76 0.00 0.00 175.35 177.50 3aau h SER 126 N 5.82 0.19 -3.37 2.83 4.64 -1.93 -3.42 113.55 118.30 3aau h SER 126 Ca -0.44 -0.13 -0.45 0.00 -0.47 0.00 0.00 61.79 60.30 3aau h SER 126 Cb 1.19 -0.06 -0.35 0.00 -0.31 0.00 0.00 62.40 62.87 3aau h SER 126 CO 0.60 0.84 -0.79 -0.94 -0.87 0.00 0.00 176.83 175.68 3aau s SER 127 N -6.88 1.42 0.00 4.97 1.04 -1.26 -4.49 113.70 108.49 3aau s SER 127 Ca -0.03 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.22 3aau s SER 127 Cb 0.11 -0.59 0.00 0.00 0.10 0.00 0.00 66.02 65.64 3aau s SER 127 CO 0.80 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.56 3aau n GLY 128 N 4.31 -1.75 3.04 7.32 0.00 -1.26 -5.01 105.19 111.84 3aau n GLY 128 Ca -0.20 -2.00 -0.13 0.00 0.00 0.00 0.00 46.02 43.70 3aau n GLY 128 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3aau s THR 129 N 0.00 -0.03 -0.29 2.61 -1.32 -1.26 -4.69 115.64 110.66 3aau s THR 129 Ca 0.00 0.09 -0.04 0.00 -1.21 0.00 0.00 61.69 60.53 3aau s THR 129 Cb 0.00 -0.32 0.16 0.00 -1.51 0.00 0.00 72.50 70.83 3aau s THR 129 CO 0.00 0.04 0.58 -0.55 -2.21 0.00 0.00 174.62 172.48 3aau s SER 130 N 0.77 -1.09 -0.21 8.08 0.15 -1.26 -4.98 113.70 115.15 3aau s SER 130 Ca -0.05 1.03 -0.12 0.00 0.70 0.00 0.00 55.95 57.51 3aau s SER 130 Cb -0.07 2.06 -0.05 0.00 -1.71 0.00 0.00 66.02 66.25 3aau s SER 130 CO -0.04 -0.25 0.20 -0.31 1.20 0.00 0.00 173.24 174.04 3aau s TYR 131 N 2.83 3.37 0.63 3.44 1.51 -1.26 -1.50 117.35 126.37 3aau s TYR 131 Ca 0.11 0.35 -0.11 0.00 -1.01 0.00 0.00 57.07 56.41 3aau s TYR 131 Cb -0.14 -2.28 -0.03 0.00 -0.11 0.00 0.00 41.96 39.40 3aau s TYR 131 CO -0.19 0.14 1.04 -1.25 -1.11 0.00 0.00 175.55 174.17 3aau s PRO 132 N 0.82 3.45 -0.15 -1.71 0.04 -1.26 -4.99 135.00 131.19 3aau s PRO 132 Ca 0.10 0.82 0.17 0.00 0.04 0.00 0.00 61.00 62.14 3aau s PRO 132 Cb -0.13 -2.06 -0.25 0.00 0.04 0.00 0.00 34.50 32.10 3aau s PRO 132 CO 0.03 -0.69 0.23 -0.25 0.04 0.00 0.00 177.00 176.36 3aau n ASP 133 N -2.76 0.20 -4.94 6.66 8.00 -1.26 -4.92 116.55 117.53 3aau n ASP 133 Ca 0.06 0.09 -0.25 0.00 0.71 0.00 0.00 54.79 55.40 3aau n ASP 133 Cb 0.54 0.82 -0.03 0.00 -0.02 0.00 0.00 41.12 42.43 3aau n ASP 133 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3aau s VAL 134 N -2.58 5.25 0.25 2.53 -7.23 -1.26 -1.04 120.40 116.32 3aau s VAL 134 Ca -0.09 -0.60 -0.30 0.00 -1.81 0.00 0.00 61.98 59.18 3aau s VAL 134 Cb 0.07 -3.77 -0.10 0.00 0.56 0.00 0.00 36.38 33.13 3aau s VAL 134 CO 0.83 -0.21 1.47 -0.22 -0.31 0.00 0.00 175.10 176.66 3aau s LEU 135 N -3.50 4.38 0.07 1.32 2.96 -1.21 -4.84 118.68 117.86 3aau s LEU 135 Ca 0.36 2.70 0.04 0.00 -0.22 0.00 0.00 54.13 57.02 3aau s LEU 135 Cb -0.11 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 3aau s LEU 135 CO 0.29 -0.74 -0.01 -0.54 -1.32 0.00 0.00 176.35 174.04 3aau s LYS 136 N -0.29 2.58 0.14 1.98 -0.14 -0.79 -2.18 119.74 121.05 3aau s LYS 136 Ca 0.61 -0.79 0.08 0.00 -1.36 0.00 0.00 55.97 54.51 3aau s LYS 136 Cb -0.43 -2.56 -0.04 0.00 -1.68 0.00 0.00 37.83 33.13 3aau s LYS 136 CO 0.43 0.56 -0.19 0.00 -0.76 0.00 0.00 175.35 175.39 3aau s LEU 138 N -2.41 -0.21 -0.18 0.00 2.96 0.09 -0.11 118.68 118.81 3aau s LEU 138 Ca 0.13 0.79 -0.16 0.00 -0.22 0.00 0.00 54.13 54.67 3aau s LEU 138 Cb -0.07 1.10 -0.04 0.00 0.50 0.00 0.00 46.19 47.68 3aau s LEU 138 CO 0.06 -0.21 0.38 -0.54 -1.32 0.00 0.00 176.35 174.72 3aau s LYS 139 N 1.95 4.21 -0.00 1.98 1.02 -1.26 -0.65 119.74 126.99 3aau s LYS 139 Ca -0.05 0.21 -0.14 0.00 0.02 0.00 0.00 55.97 56.01 3aau s LYS 139 Cb -0.11 -3.50 0.02 0.00 -0.52 0.00 0.00 37.83 33.72 3aau s LYS 139 CO -0.11 0.05 0.28 0.00 -0.92 0.00 0.00 175.35 174.65 3aau s ALA 140 N 1.04 -0.70 0.26 5.17 0.00 -0.36 -4.96 121.76 122.21 3aau s ALA 140 Ca 0.19 0.21 -0.10 0.00 0.00 0.00 0.00 51.96 52.27 3aau s ALA 140 Cb -0.14 0.11 -0.07 0.00 0.00 0.00 0.00 23.12 23.02 3aau s ALA 140 CO 0.07 -0.27 0.58 -1.25 0.00 0.00 0.00 175.76 174.89 3aau s PRO 141 N -1.50 3.80 0.22 0.00 0.04 -1.26 -0.34 135.00 135.96 3aau s PRO 141 Ca -0.13 0.29 -0.30 0.00 0.04 0.00 0.00 61.00 60.91 3aau s PRO 141 Cb -0.05 -2.61 -0.09 0.00 0.04 0.00 0.00 34.50 31.79 3aau s PRO 141 CO 0.03 0.27 1.04 0.42 0.04 0.00 0.00 177.00 178.79 3aau s ILE 142 N -1.90 3.86 0.27 0.56 1.01 -0.38 -1.76 121.20 122.87 3aau s ILE 142 Ca 0.48 1.77 -0.01 0.00 0.00 0.00 0.00 60.65 62.89 3aau s ILE 142 Cb -0.11 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 3aau s ILE 142 CO 0.22 0.38 0.48 -0.76 0.00 0.00 0.00 174.94 175.27 3aau s LEU 143 N -0.95 4.12 0.66 2.97 1.43 0.13 -0.10 118.68 126.94 3aau s LEU 143 Ca 0.45 0.49 -0.17 0.00 -1.03 0.00 0.00 54.13 53.86 3aau s LEU 143 Cb -0.29 -3.30 -0.00 0.00 0.03 0.00 0.00 46.19 42.63 3aau s LEU 143 CO 0.36 -0.17 1.24 -0.94 0.23 0.00 0.00 176.35 177.07 3aau s SER 144 N -3.48 4.63 0.33 2.29 1.04 -1.26 -4.56 113.70 112.69 3aau s SER 144 Ca 0.40 2.47 0.02 0.00 0.48 0.00 0.00 55.95 59.32 3aau s SER 144 Cb -0.10 -2.60 0.56 0.00 0.10 0.00 0.00 66.02 63.98 3aau s SER 144 CO 0.32 -1.97 1.94 -0.78 0.98 0.00 0.00 173.24 173.72 3aau h ASP 145 N 0.37 0.70 -0.52 7.02 3.58 -1.97 -1.66 116.42 123.94 3aau h ASP 145 Ca -0.50 -0.07 -0.06 0.00 0.42 0.00 0.00 57.03 56.82 3aau h ASP 145 Cb 1.31 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 42.16 3aau h ASP 145 CO 0.53 0.60 0.08 0.77 -2.88 0.00 0.00 179.24 178.34 3aau h SER 146 N 0.79 0.84 0.01 2.28 4.64 -1.99 -0.54 113.55 119.57 3aau h SER 146 Ca 0.20 -0.26 -0.13 0.00 -0.47 0.00 0.00 61.79 61.13 3aau h SER 146 Cb 0.08 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 3aau h SER 146 CO -0.03 0.89 -0.39 0.77 -0.87 0.00 0.00 176.83 177.19 3aau h SER 147 N 0.75 0.52 -0.04 4.97 4.64 -1.85 -1.15 113.55 121.39 3aau h SER 147 Ca 0.16 -0.23 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3aau h SER 147 Cb 0.41 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3aau h SER 147 CO 0.01 0.86 0.01 0.00 -0.87 0.00 0.00 176.83 176.84 3aau h LYS 149 N -0.18 0.39 -0.01 0.00 1.57 -1.02 -1.33 116.57 115.99 3aau h LYS 149 Ca 0.01 -0.10 -0.12 0.00 -1.87 0.00 0.00 60.65 58.57 3aau h LYS 149 Cb 0.25 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 3aau h LYS 149 CO 0.00 0.50 -0.57 0.77 -0.57 0.00 0.00 179.45 179.59 3aau h SER 150 N 0.37 0.03 0.39 0.86 0.02 -1.05 -1.85 113.55 112.33 3aau h SER 150 Ca 0.07 -0.02 -0.19 0.00 -0.84 0.00 0.00 61.79 60.82 3aau h SER 150 Cb 0.41 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 3aau h SER 150 CO 0.02 0.59 -0.80 0.00 -1.14 0.00 0.00 176.83 175.51 3aau h ALA 151 N 1.41 0.57 -2.23 3.77 0.00 -0.44 -3.37 119.26 118.97 3aau h ALA 151 Ca -0.01 -0.65 -0.58 0.00 0.00 0.00 0.00 54.91 53.67 3aau h ALA 151 Cb 1.01 -0.06 -0.40 0.00 0.00 0.00 0.00 17.79 18.34 3aau h ALA 151 CO 0.08 0.82 -0.87 0.66 0.00 0.00 0.00 179.25 179.93 3aau n TYR 152 N -3.77 1.21 -1.67 0.00 4.01 -0.57 -4.92 117.16 111.45 3aau n TYR 152 Ca -0.04 -3.79 -0.45 0.00 -0.16 0.00 0.00 57.90 53.46 3aau n TYR 152 Cb 0.75 -0.36 -0.02 0.00 -0.31 0.00 0.00 39.34 39.40 3aau n TYR 152 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3aau n PRO 153 N 1.49 2.00 -1.30 -0.72 -0.04 -0.71 -2.28 135.00 133.43 3aau n PRO 153 Ca 0.25 0.71 -0.10 0.00 -0.04 0.00 0.00 63.50 64.32 3aau n PRO 153 Cb 0.47 -2.35 -0.04 0.00 -0.04 0.00 0.00 33.50 31.53 3aau n PRO 153 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3aau n GLY 154 N 1.99 1.11 0.00 0.55 0.00 -1.26 -4.83 105.19 102.74 3aau n GLY 154 Ca 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3aau n GLY 154 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3aau n GLN 155 N -1.84 2.03 -3.08 1.61 6.02 -0.97 -5.02 117.38 116.12 3aau n GLN 155 Ca -0.10 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.47 3aau n GLN 155 Cb 0.45 -0.81 -0.06 0.00 1.02 0.00 0.00 30.24 30.84 3aau n GLN 155 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3aau s ILE 156 N -1.36 4.91 0.57 5.09 -1.09 -1.25 -5.02 121.20 123.05 3aau s ILE 156 Ca 0.00 0.94 0.07 0.00 -2.23 0.00 0.00 60.65 59.43 3aau s ILE 156 Cb 0.00 -4.02 0.08 0.00 -1.58 0.00 0.00 42.46 36.94 3aau s ILE 156 CO 0.00 -0.15 0.79 0.42 -1.23 0.00 0.00 174.94 174.77 3aau s THR 157 N 2.66 2.31 -1.51 2.92 -4.23 -1.26 -4.97 115.64 111.56 3aau s THR 157 Ca 0.27 -0.92 0.15 0.00 -1.18 0.00 0.00 61.69 60.01 3aau s THR 157 Cb -0.15 -2.39 0.28 0.00 1.34 0.00 0.00 72.50 71.58 3aau s THR 157 CO 0.12 0.00 1.39 -1.54 -0.54 0.00 0.00 174.62 174.05 3aau n SER 158 N -2.28 0.00 -1.31 3.99 3.41 -1.26 -2.07 113.62 114.10 3aau n SER 158 Ca 0.14 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.83 3aau n SER 158 Cb 0.61 -0.25 0.31 0.00 -0.26 0.00 0.00 64.21 64.62 3aau n SER 158 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3aau n ASN 159 N -1.25 4.42 -4.17 4.04 3.02 -1.26 -4.92 115.26 115.14 3aau n ASN 159 Ca 0.08 -2.60 -0.13 0.00 -0.03 0.00 0.00 54.58 51.90 3aau n ASN 159 Cb 0.11 -0.53 -0.10 0.00 -0.61 0.00 0.00 39.78 38.64 3aau n ASN 159 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3aau s MET 160 N -2.11 0.82 -0.01 3.52 -1.94 -0.88 -0.56 119.30 118.14 3aau s MET 160 Ca 0.45 -1.21 -0.19 0.00 -1.71 0.00 0.00 55.69 53.03 3aau s MET 160 Cb 0.31 -0.37 0.04 0.00 2.01 0.00 0.00 34.83 36.82 3aau s MET 160 CO 0.18 0.03 0.42 -0.59 -0.01 0.00 0.00 175.02 175.05 3aau s PHE 161 N -2.89 -0.31 0.13 -0.03 -0.12 -0.65 -4.79 117.98 109.31 3aau s PHE 161 Ca 0.07 0.47 -0.00 0.00 -0.05 0.00 0.00 56.93 57.43 3aau s PHE 161 Cb 0.00 0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.54 3aau s PHE 161 CO -0.02 -0.47 0.29 0.00 -0.05 0.00 0.00 175.22 174.97 3aau s ALA 163 N -1.68 -0.89 0.00 0.00 0.00 -0.88 -0.70 121.76 117.61 3aau s ALA 163 Ca 0.36 0.74 0.00 0.00 0.00 0.00 0.00 51.96 53.06 3aau s ALA 163 Cb -0.12 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.72 3aau s ALA 163 CO 0.28 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.23 3aau n GLY 164 N 2.09 0.42 2.85 0.00 0.00 -0.72 -2.94 105.19 106.90 3aau n GLY 164 Ca -0.17 -1.62 -0.20 0.00 0.00 0.00 0.00 46.02 44.03 3aau n GLY 164 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3aau s TYR 165 N -2.56 0.65 0.25 1.61 1.51 -1.26 -4.36 117.35 113.19 3aau s TYR 165 Ca 0.00 -0.16 0.37 0.00 -1.01 0.00 0.00 57.07 56.26 3aau s TYR 165 Cb 0.00 -0.65 1.68 0.00 -0.11 0.00 0.00 41.96 42.88 3aau s TYR 165 CO 0.00 -0.21 2.09 -0.07 -1.11 0.00 0.00 175.55 176.25 3aau h LEU 166 N 7.44 0.00 -0.43 -1.29 3.38 -1.95 -1.17 115.31 121.30 3aau h LEU 166 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3aau h LEU 166 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3aau h LEU 166 CO 0.43 0.00 0.00 1.05 0.09 0.00 0.00 178.44 180.01 3aau h GLU 167 N 0.00 0.00 0.00 1.13 9.09 -1.95 0.40 114.58 123.26 3aau h GLU 167 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3aau h GLU 167 Cb 0.34 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.44 3aau h GLU 167 CO 0.00 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.47 3aau n GLY 168 N 0.77 -2.36 1.66 1.06 0.00 -0.44 -4.45 105.19 101.43 3aau n GLY 168 Ca 0.03 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.42 3aau n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3aau n GLY 169 N -0.33 2.99 2.83 -0.02 0.00 -0.17 -4.90 105.19 105.58 3aau n GLY 169 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3aau n GLY 169 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3aau s LYS 170 N -0.23 0.79 0.11 1.61 1.02 -1.26 -3.68 119.74 118.10 3aau s LYS 170 Ca 0.00 -0.01 -0.25 0.00 0.02 0.00 0.00 55.97 55.73 3aau s LYS 170 Cb 0.00 -1.00 0.09 0.00 -0.52 0.00 0.00 37.83 36.40 3aau s LYS 170 CO 0.00 -0.22 1.11 0.34 -0.92 0.00 0.00 175.35 175.66 3aau s ASP 171 N 1.58 -0.04 0.64 2.83 2.15 -0.69 -4.18 116.67 118.96 3aau s ASP 171 Ca -0.01 -0.44 -0.02 0.00 0.43 0.00 0.00 52.55 52.52 3aau s ASP 171 Cb -0.13 0.37 0.07 0.00 -0.30 0.00 0.00 42.92 42.93 3aau s ASP 171 CO -0.04 -0.73 0.90 -0.94 -0.17 0.00 0.00 175.17 174.20 3aau s SER 172 N -3.32 4.86 0.38 -0.34 1.04 -1.26 -0.71 113.70 114.35 3aau s SER 172 Ca 0.20 0.01 -0.14 0.00 0.48 0.00 0.00 55.95 56.50 3aau s SER 172 Cb -0.01 -0.68 0.05 0.00 0.10 0.00 0.00 66.02 65.48 3aau s SER 172 CO 0.02 -1.48 0.76 0.00 0.98 0.00 0.00 173.24 173.51 3aau n GLN 174 N -0.54 1.58 0.00 0.00 7.27 -1.26 -1.17 117.38 123.26 3aau n GLN 174 Ca -0.07 0.57 0.00 0.00 0.07 0.00 0.00 57.00 57.56 3aau n GLN 174 Cb 0.60 -2.21 0.00 0.00 2.41 0.00 0.00 30.24 31.04 3aau n GLN 174 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3aau n GLY 175 N 2.58 2.54 0.07 1.69 0.00 -1.26 -0.48 105.19 110.34 3aau n GLY 175 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 3aau n GLY 175 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3aau n ASP 176 N 0.00 0.70 -4.38 1.61 8.00 -0.32 -3.86 116.55 118.30 3aau n ASP 176 Ca 0.00 0.22 -0.56 0.00 0.71 0.00 0.00 54.79 55.16 3aau n ASP 176 Cb 0.00 -0.09 -0.07 0.00 -0.02 0.00 0.00 41.12 40.94 3aau n ASP 176 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3aau n SER 177 N -2.09 -0.17 0.00 -2.24 7.64 -1.26 -0.77 113.62 114.73 3aau n SER 177 Ca 0.04 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.05 3aau n SER 177 Cb 0.43 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 3aau n SER 177 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3aau n GLY 178 N 1.53 2.57 3.62 0.23 0.00 0.16 0.24 105.19 113.55 3aau n GLY 178 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 3aau n GLY 178 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3aau s GLY 179 N -1.97 1.57 0.37 -0.02 0.00 0.05 -3.47 107.32 103.84 3aau s GLY 179 Ca 0.00 -0.72 -0.11 0.00 0.00 0.00 0.00 44.72 43.89 3aau s GLY 179 CO 0.00 0.06 0.74 2.56 0.00 0.00 0.00 173.10 176.46 3aau s PRO 180 N -5.22 3.82 -0.29 2.90 0.04 -1.26 -1.26 135.00 133.72 3aau s PRO 180 Ca 0.69 0.48 -0.01 0.00 0.04 0.00 0.00 61.00 62.20 3aau s PRO 180 Cb -0.13 -2.42 0.09 0.00 0.04 0.00 0.00 34.50 32.08 3aau s PRO 180 CO 0.57 0.03 0.09 0.08 0.04 0.00 0.00 177.00 177.81 3aau s VAL 181 N -2.25 0.81 -0.15 -0.36 1.01 -0.68 -3.25 120.40 115.53 3aau s VAL 181 Ca 0.51 -1.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 3aau s VAL 181 Cb -0.10 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 3aau s VAL 181 CO 0.28 -0.61 -0.02 -0.69 0.00 0.00 0.00 175.10 174.06 3aau s VAL 182 N 1.66 4.06 -0.11 2.92 1.01 -0.42 -1.34 120.40 128.18 3aau s VAL 182 Ca 0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 3aau s VAL 182 Cb -0.17 -2.78 0.03 0.00 0.00 0.00 0.00 36.38 33.46 3aau s VAL 182 CO -0.23 0.50 -0.07 0.00 0.00 0.00 0.00 175.10 175.30 3aau n SER 184 N 4.96 -4.32 -0.12 0.00 7.64 -1.26 -1.97 113.62 118.55 3aau n SER 184 Ca -0.12 -0.70 -0.02 0.00 1.01 0.00 0.00 58.87 59.04 3aau n SER 184 Cb 0.50 -4.37 -0.01 0.00 -1.01 0.00 0.00 64.21 59.32 3aau n SER 184 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3aau n GLY 185 N -1.71 0.49 3.23 0.23 0.00 -1.26 -5.02 105.19 101.15 3aau n GLY 185 Ca -0.06 -0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 3aau n GLY 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3aau s LYS 186 N -1.06 1.69 -0.64 1.61 -0.14 -0.83 -3.90 119.74 116.46 3aau s LYS 186 Ca 0.00 -0.77 -0.27 0.00 -1.36 0.00 0.00 55.97 53.56 3aau s LYS 186 Cb 0.00 -1.65 0.03 0.00 -1.68 0.00 0.00 37.83 34.53 3aau s LYS 186 CO 0.00 0.45 1.21 -1.17 -0.76 0.00 0.00 175.35 175.08 3aau s LEU 187 N -0.55 3.40 -0.05 3.17 2.96 -0.43 -0.86 118.68 126.31 3aau s LEU 187 Ca 0.08 -0.17 0.22 0.00 -0.22 0.00 0.00 54.13 54.04 3aau s LEU 187 Cb -0.08 -2.89 -0.33 0.00 0.50 0.00 0.00 46.19 43.39 3aau s LEU 187 CO -0.01 -1.61 0.44 0.00 -1.32 0.00 0.00 176.35 173.85 3aau n GLN 188 N 8.74 0.66 -4.03 1.98 1.13 -0.45 -4.11 117.38 121.30 3aau n GLN 188 Ca 0.06 -0.18 -0.10 0.00 -1.94 0.00 0.00 57.00 54.84 3aau n GLN 188 Cb 0.49 -1.52 -0.08 0.00 0.11 0.00 0.00 30.24 29.24 3aau n GLN 188 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3aau s GLY 189 N -4.61 0.69 -0.05 1.08 0.00 -0.80 -1.68 107.32 101.94 3aau s GLY 189 Ca -0.08 -1.12 0.02 0.00 0.00 0.00 0.00 44.72 43.54 3aau s GLY 189 CO 0.90 -1.03 -0.11 -0.42 0.00 0.00 0.00 173.10 172.45 3aau s ILE 190 N -4.01 0.98 -0.14 0.90 1.01 -1.06 -1.69 121.20 117.19 3aau s ILE 190 Ca 0.21 -0.41 -0.29 0.00 0.00 0.00 0.00 60.65 60.16 3aau s ILE 190 Cb 0.05 -0.90 -0.07 0.00 0.01 0.00 0.00 42.46 41.55 3aau s ILE 190 CO 0.02 0.31 2.14 0.52 0.00 0.00 0.00 174.94 177.93 3aau n VAL 191 N 3.71 0.47 -0.00 2.92 0.31 -0.39 -1.45 118.33 123.89 3aau n VAL 191 Ca -0.22 -0.35 -0.03 0.00 -0.01 0.00 0.00 64.34 63.73 3aau n VAL 191 Cb 0.52 -2.44 -0.01 0.00 -0.91 0.00 0.00 33.84 31.00 3aau n VAL 191 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3aau n SER 192 N 10.26 1.02 -1.11 4.52 2.88 -1.03 -0.66 113.62 129.51 3aau n SER 192 Ca 0.27 0.15 -0.01 0.00 -1.33 0.00 0.00 58.87 57.96 3aau n SER 192 Cb 0.42 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 3aau n SER 192 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 3aau n TRP 193 N -3.48 -1.07 -2.91 0.66 4.27 -0.78 -4.93 117.44 109.20 3aau n TRP 193 Ca -0.04 -0.11 0.00 0.00 -3.89 0.00 0.00 57.50 53.46 3aau n TRP 193 Cb 0.15 0.05 0.00 0.00 -1.36 0.00 0.00 31.31 30.15 3aau n TRP 193 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 3aau n GLY 194 N -0.03 -1.52 3.04 -1.67 0.00 -1.26 0.01 105.19 103.76 3aau n GLY 194 Ca -0.01 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 3aau n GLY 194 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3aau s SER 195 N -3.21 4.75 0.53 1.61 0.01 -1.26 -5.02 113.70 111.10 3aau s SER 195 Ca 0.00 -1.98 0.00 0.00 1.31 0.00 0.00 55.95 55.28 3aau s SER 195 Cb 0.00 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.60 3aau s SER 195 CO 0.00 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 173.91 3aau n GLY 196 N 4.32 -0.54 2.90 3.44 0.00 -1.26 -4.67 105.19 109.39 3aau n GLY 196 Ca -0.00 -1.09 -0.19 0.00 0.00 0.00 0.00 46.02 44.73 3aau n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aau n ALA 198 N 3.86 -0.56 -2.07 0.00 0.00 -1.26 -4.59 120.51 115.89 3aau n ALA 198 Ca -0.24 0.20 -0.32 0.00 0.00 0.00 0.00 53.44 53.08 3aau n ALA 198 Cb 0.52 -2.10 -0.06 0.00 0.00 0.00 0.00 19.45 17.80 3aau n ALA 198 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3aau s GLN 199 N -4.73 4.04 0.31 0.00 -1.52 -1.26 -1.00 119.66 115.49 3aau s GLN 199 Ca 0.00 0.76 -0.30 0.00 -1.95 0.00 0.00 55.36 53.87 3aau s GLN 199 Cb 0.00 -2.37 -0.11 0.00 -0.22 0.00 0.00 33.01 30.31 3aau s GLN 199 CO 0.00 0.10 1.56 0.21 -0.25 0.00 0.00 175.29 176.90 3aau s LYS 200 N -3.10 4.13 -0.90 2.91 2.20 -1.26 -2.06 119.74 121.67 3aau s LYS 200 Ca 0.56 2.55 0.00 0.00 -0.36 0.00 0.00 55.97 58.72 3aau s LYS 200 Cb -0.10 -3.02 0.00 0.00 -1.51 0.00 0.00 37.83 33.20 3aau s LYS 200 CO 0.17 -0.59 0.00 0.09 -0.36 0.00 0.00 175.35 174.66 3aau n ASN 201 N 1.81 -5.43 -3.34 1.43 5.03 0.14 -4.90 115.26 110.01 3aau n ASN 201 Ca 0.06 0.21 -0.26 0.00 0.87 0.00 0.00 54.58 55.47 3aau n ASN 201 Cb 0.38 -3.67 -0.08 0.00 -1.02 0.00 0.00 39.78 35.39 3aau n ASN 201 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3aau n LYS 202 N -0.87 1.52 -1.36 3.52 4.76 -0.88 -4.77 118.16 120.08 3aau n LYS 202 Ca -0.08 -3.91 -0.31 0.00 -2.87 0.00 0.00 58.31 51.14 3aau n LYS 202 Cb 0.51 -1.74 0.09 0.00 -1.84 0.00 0.00 35.03 32.05 3aau n LYS 202 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3aau s PRO 203 N -1.68 2.15 0.54 1.97 0.04 -1.26 -4.28 135.00 132.48 3aau s PRO 203 Ca 0.36 0.97 -0.20 0.00 0.04 0.00 0.00 61.00 62.17 3aau s PRO 203 Cb 0.14 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.73 3aau s PRO 203 CO -0.08 -1.66 1.16 0.20 0.04 0.00 0.00 177.00 176.67 3aau s GLY 204 N -3.56 2.70 -0.08 0.56 0.00 -1.15 -4.69 107.32 101.11 3aau s GLY 204 Ca 0.61 0.91 0.01 0.00 0.00 0.00 0.00 44.72 46.25 3aau s GLY 204 CO 0.56 1.30 -0.10 0.14 0.00 0.00 0.00 173.10 175.00 3aau s VAL 205 N -1.66 3.41 0.07 1.40 1.01 0.10 -2.07 120.40 122.66 3aau s VAL 205 Ca 0.72 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 62.18 3aau s VAL 205 Cb -0.27 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 3aau s VAL 205 CO 0.31 0.58 -0.16 -0.31 0.00 0.00 0.00 175.10 175.51 3aau s TYR 206 N -0.54 1.40 0.11 5.22 1.51 0.97 -1.87 117.35 124.15 3aau s TYR 206 Ca 0.08 -0.41 -0.31 0.00 -1.01 0.00 0.00 57.07 55.41 3aau s TYR 206 Cb -0.12 -0.80 -0.08 0.00 -0.11 0.00 0.00 41.96 40.86 3aau s TYR 206 CO 0.02 0.09 1.37 0.99 -1.11 0.00 0.00 175.55 176.90 3aau s THR 207 N -1.09 3.37 -1.03 -0.71 2.01 -0.53 -1.64 115.64 116.01 3aau s THR 207 Ca 0.02 0.99 -0.22 0.00 0.31 0.00 0.00 61.69 62.79 3aau s THR 207 Cb -0.09 -3.63 0.07 0.00 0.01 0.00 0.00 72.50 68.85 3aau s THR 207 CO 0.02 0.08 1.42 -0.75 -0.69 0.00 0.00 174.62 174.70 3aau s LYS 208 N 1.03 3.64 0.41 4.92 2.20 0.28 -2.56 119.74 129.66 3aau s LYS 208 Ca 0.64 -1.34 0.16 0.00 -0.36 0.00 0.00 55.97 55.07 3aau s LYS 208 Cb -0.36 -5.29 1.05 0.00 -1.51 0.00 0.00 37.83 31.72 3aau s LYS 208 CO 0.31 -2.13 1.87 0.28 -0.36 0.00 0.00 175.35 175.32 3aau h VAL 209 N 6.48 0.72 -0.10 4.02 2.07 -1.62 -2.26 116.25 125.55 3aau h VAL 209 Ca 0.22 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.62 3aau h VAL 209 Cb 1.00 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3aau h VAL 209 CO 1.37 0.08 0.12 0.00 0.02 0.00 0.00 177.57 179.16 3aau n ASN 211 N -3.80 0.68 -0.51 0.00 5.03 -0.85 -3.69 115.26 112.12 3aau n ASN 211 Ca -0.00 0.61 0.06 0.00 0.87 0.00 0.00 54.58 56.11 3aau n ASN 211 Cb 0.22 -0.77 0.08 0.00 -1.02 0.00 0.00 39.78 38.29 3aau n ASN 211 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3aau n TYR 212 N -2.18 0.14 -0.31 3.10 4.01 0.27 -4.69 117.16 117.49 3aau n TYR 212 Ca 0.04 -0.15 0.03 0.00 -0.16 0.00 0.00 57.90 57.66 3aau n TYR 212 Cb 0.33 -0.01 0.17 0.00 -0.31 0.00 0.00 39.34 39.53 3aau n TYR 212 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3aau h VAL 213 N 2.18 0.96 -0.40 -0.72 2.07 -1.62 0.74 116.25 119.46 3aau h VAL 213 Ca 0.00 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 3aau h VAL 213 Cb 0.55 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 3aau h VAL 213 CO 0.00 0.16 0.22 0.28 0.02 0.00 0.00 177.57 178.25 3aau h SER 214 N 0.89 0.50 -0.47 0.57 0.02 -1.87 -0.33 113.55 112.86 3aau h SER 214 Ca 0.41 -0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 61.19 3aau h SER 214 Cb 0.32 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 3aau h SER 214 CO -0.22 0.45 -0.00 -0.25 -1.14 0.00 0.00 176.83 175.66 3aau h TRP 215 N 0.51 0.91 -0.03 3.45 7.01 -1.72 -1.50 115.95 124.60 3aau h TRP 215 Ca 0.14 -0.16 -0.00 0.00 2.11 0.00 0.00 58.89 60.98 3aau h TRP 215 Cb 0.06 -0.24 -0.00 0.00 -2.10 0.00 0.00 29.16 26.88 3aau h TRP 215 CO -0.02 0.87 0.01 0.82 -2.79 0.00 0.00 178.44 177.33 3aau h ILE 216 N 0.69 1.09 -0.36 2.65 2.04 -0.68 -0.39 117.51 122.55 3aau h ILE 216 Ca 0.13 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 3aau h ILE 216 Cb 0.51 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 3aau h ILE 216 CO 0.02 0.07 0.19 0.11 0.00 0.00 0.00 178.15 178.54 3aau h LYS 217 N -0.06 0.51 -0.69 2.37 1.57 -1.01 -0.96 116.57 118.30 3aau h LYS 217 Ca 0.01 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 3aau h LYS 217 Cb 0.10 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 3aau h LYS 217 CO -0.00 0.43 0.13 1.96 -0.57 0.00 0.00 179.45 181.40 3aau h GLN 218 N 0.45 1.13 -0.30 3.15 4.20 -1.23 -1.50 115.11 121.02 3aau h GLN 218 Ca 0.13 -0.30 -0.04 0.00 0.06 0.00 0.00 58.65 58.50 3aau h GLN 218 Cb 0.08 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3aau h GLN 218 CO -0.02 1.02 0.04 1.15 -0.67 0.00 0.00 178.83 180.35 3aau h THR 219 N 1.06 1.24 -0.64 -0.54 2.02 -0.89 -2.92 112.91 112.25 3aau h THR 219 Ca 0.21 -0.83 -0.05 0.00 0.77 0.00 0.00 66.41 66.51 3aau h THR 219 Cb 0.43 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 3aau h THR 219 CO 0.01 0.27 0.20 0.40 0.37 0.00 0.00 175.52 176.77 3aau h ILE 220 N 0.32 1.24 0.00 3.11 2.04 -1.07 -2.36 117.51 120.78 3aau h ILE 220 Ca 0.09 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.13 3aau h ILE 220 Cb 0.36 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 3aau h ILE 220 CO 0.01 0.32 0.00 0.00 0.00 0.00 0.00 178.15 178.48 3aau h ALA 221 N 1.28 1.00 -0.01 1.87 0.00 -1.09 -3.07 119.26 119.24 3aau h ALA 221 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3aau h ALA 221 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3aau h ALA 221 CO -0.01 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.67 3aau n SER 222 N -2.65 2.04 0.00 0.00 7.64 -0.93 -5.09 113.62 114.62 3aau n SER 222 Ca -0.00 -2.02 0.00 0.00 1.01 0.00 0.00 58.87 57.86 3aau n SER 222 Cb 0.17 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 3aau n SER 222 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62