#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3aas s VAL 2 N 0.00 5.22 -0.70 1.39 1.01 0.55 -4.10 120.40 123.77 3aas s VAL 2 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.10 3aas s VAL 2 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.01 3aas s VAL 2 CO 0.00 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.16 3aas n GLY 3 N 3.45 0.56 0.00 4.51 0.00 -1.24 -1.59 105.19 110.88 3aas n GLY 3 Ca -0.16 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.20 3aas n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3aas n GLY 4 N -1.62 2.24 3.12 -0.02 0.00 -1.26 -4.85 105.19 102.79 3aas n GLY 4 Ca -0.08 -1.99 -0.09 0.00 0.00 0.00 0.00 46.02 43.87 3aas n GLY 4 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3aas s TYR 5 N 2.30 0.71 -0.18 1.61 1.13 0.10 -4.94 117.35 118.08 3aas s TYR 5 Ca 0.00 -1.13 -0.29 0.00 -1.41 0.00 0.00 57.07 54.24 3aas s TYR 5 Cb 0.00 -0.45 -0.02 0.00 -1.10 0.00 0.00 41.96 40.39 3aas s TYR 5 CO 0.00 -0.42 1.44 0.99 -2.51 0.00 0.00 175.55 175.05 3aas s THR 6 N -3.95 3.97 0.18 -3.49 2.01 -1.26 0.21 115.64 113.30 3aas s THR 6 Ca 0.15 1.14 -0.14 0.00 0.31 0.00 0.00 61.69 63.15 3aas s THR 6 Cb 0.08 -3.85 0.09 0.00 0.01 0.00 0.00 72.50 68.83 3aas s THR 6 CO -0.04 -0.23 1.73 0.00 -0.69 0.00 0.00 174.62 175.38 3aas n GLY 8 N -1.27 3.23 3.69 0.00 0.00 -1.26 -4.82 105.19 104.76 3aas n GLY 8 Ca 0.05 -1.35 -0.60 0.00 0.00 0.00 0.00 46.02 44.12 3aas n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aas n ALA 9 N 0.94 -0.86 -1.72 4.61 0.00 -1.26 -1.90 120.51 120.31 3aas n ALA 9 Ca 0.00 0.45 -0.20 0.00 0.00 0.00 0.00 53.44 53.69 3aas n ALA 9 Cb 0.00 -2.09 -0.07 0.00 0.00 0.00 0.00 19.45 17.29 3aas n ALA 9 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3aas n ASN 10 N 4.34 -5.34 -0.01 0.00 3.02 -1.26 -4.85 115.26 111.16 3aas n ASN 10 Ca 0.26 0.41 0.14 0.00 -0.03 0.00 0.00 54.58 55.37 3aas n ASN 10 Cb 0.09 -4.69 0.67 0.00 -0.61 0.00 0.00 39.78 35.24 3aas n ASN 10 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3aas n THR 11 N -2.59 0.00 -3.31 3.41 -2.24 -0.80 -3.61 114.28 105.13 3aas n THR 11 Ca -0.21 -0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.31 3aas n THR 11 Cb 0.66 -0.45 -0.07 0.00 -2.10 0.00 0.00 70.33 68.36 3aas n THR 11 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3aas n VAL 12 N -1.37 1.32 0.30 2.28 0.31 -1.26 -4.97 118.33 114.93 3aas n VAL 12 Ca 0.11 -4.83 0.15 0.00 -0.01 0.00 0.00 64.34 59.76 3aas n VAL 12 Cb 0.29 -1.95 0.81 0.00 -0.91 0.00 0.00 33.84 32.08 3aas n VAL 12 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3aas h PRO 13 N 4.01 0.00 -0.01 5.55 0.13 -1.78 -1.46 132.00 138.44 3aas h PRO 13 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3aas h PRO 13 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 3aas h PRO 13 CO 0.70 0.00 -0.49 2.48 -0.23 0.00 0.00 178.00 180.46 3aas n TYR 14 N -2.75 0.00 -2.44 1.56 0.18 -1.13 -2.07 117.16 110.50 3aas n TYR 14 Ca -0.02 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.34 3aas n TYR 14 Cb 0.29 -0.13 -0.03 0.00 -0.38 0.00 0.00 39.34 39.09 3aas n TYR 14 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 3aas s GLN 15 N -2.74 4.37 0.27 -3.48 2.00 -0.55 -0.88 119.66 118.64 3aas s GLN 15 Ca 0.16 1.71 0.12 0.00 -2.00 0.00 0.00 55.36 55.35 3aas s GLN 15 Cb 0.18 -3.51 -0.05 0.00 0.80 0.00 0.00 33.01 30.43 3aas s GLN 15 CO 0.64 -0.40 -0.20 0.14 -0.50 0.00 0.00 175.29 174.97 3aas s VAL 16 N 1.94 2.49 -0.13 1.34 -7.23 -0.33 -4.51 120.40 113.97 3aas s VAL 16 Ca 0.57 -2.35 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 3aas s VAL 16 Cb -0.26 -2.30 -0.01 0.00 0.56 0.00 0.00 36.38 34.37 3aas s VAL 16 CO 0.24 -0.36 -0.14 -0.55 -0.31 0.00 0.00 175.10 173.97 3aas s SER 17 N -3.41 3.91 -0.21 4.85 0.15 -0.64 -2.12 113.70 116.23 3aas s SER 17 Ca 0.29 -0.35 -0.17 0.00 0.70 0.00 0.00 55.95 56.42 3aas s SER 17 Cb -0.05 -1.58 -0.04 0.00 -1.71 0.00 0.00 66.02 62.64 3aas s SER 17 CO 0.15 0.17 0.44 -0.76 1.20 0.00 0.00 173.24 174.43 3aas s LEU 18 N 0.34 4.13 -0.07 3.45 1.43 0.30 -0.79 118.68 127.46 3aas s LEU 18 Ca -0.12 0.53 0.05 0.00 -1.03 0.00 0.00 54.13 53.56 3aas s LEU 18 Cb -0.16 -2.57 -0.00 0.00 0.03 0.00 0.00 46.19 43.49 3aas s LEU 18 CO 0.06 -0.13 -0.23 0.21 0.23 0.00 0.00 176.35 176.49 3aas s ASN 19 N 1.18 2.93 -0.30 2.29 2.47 -0.02 -1.55 114.94 121.93 3aas s ASN 19 Ca 0.20 -0.51 0.16 0.00 0.42 0.00 0.00 52.86 53.13 3aas s ASN 19 Cb -0.15 -1.04 0.48 0.00 -1.45 0.00 0.00 41.25 39.09 3aas s ASN 19 CO 0.09 0.19 1.10 -1.54 -3.72 0.00 0.00 177.10 173.22 3aas n SER 20 N 3.23 2.78 0.00 -4.21 3.41 -1.26 -0.87 113.62 116.71 3aas n SER 20 Ca -0.18 -2.78 0.00 0.00 -0.26 0.00 0.00 58.87 55.64 3aas n SER 20 Cb 0.52 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 3aas n SER 20 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3aas n GLY 21 N -0.53 0.68 3.53 5.00 0.00 -1.26 -5.02 105.19 107.60 3aas n GLY 21 Ca 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 3aas n GLY 21 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3aas s TYR 22 N -2.01 -0.31 0.13 1.61 1.13 -1.26 -5.14 117.35 111.50 3aas s TYR 22 Ca 0.00 0.26 -0.31 0.00 -1.41 0.00 0.00 57.07 55.61 3aas s TYR 22 Cb 0.00 0.52 -0.08 0.00 -1.10 0.00 0.00 41.96 41.30 3aas s TYR 22 CO 0.00 -0.45 1.39 -1.58 -2.51 0.00 0.00 175.55 172.40 3aas s HIS 23 N -2.66 3.24 0.00 -3.49 5.65 -1.26 -4.29 115.29 112.48 3aas s HIS 23 Ca 0.05 0.98 0.00 0.00 0.25 0.00 0.00 55.06 56.33 3aas s HIS 23 Cb -0.01 -3.68 0.00 0.00 -1.18 0.00 0.00 32.58 27.71 3aas s HIS 23 CO -0.06 -2.36 0.00 1.97 -0.65 0.00 0.00 174.74 173.64 3aas n PHE 24 N 3.78 0.00 -3.56 3.88 1.16 -0.60 -4.97 117.46 117.15 3aas n PHE 24 Ca 0.11 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.60 3aas n PHE 24 Cb 0.42 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.27 3aas n PHE 24 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3aas s GLY 26 N -2.72 1.83 0.11 0.00 0.00 0.12 -0.54 107.32 106.12 3aas s GLY 26 Ca 0.05 -2.00 -0.26 0.00 0.00 0.00 0.00 44.72 42.52 3aas s GLY 26 CO -0.06 -1.69 1.06 -0.32 0.00 0.00 0.00 173.10 172.09 3aas s GLY 27 N -4.58 -0.24 -0.06 0.20 0.00 -0.90 -3.68 107.32 98.07 3aas s GLY 27 Ca 0.58 0.22 0.02 0.00 0.00 0.00 0.00 44.72 45.54 3aas s GLY 27 CO 0.36 0.38 -0.13 -0.56 0.00 0.00 0.00 173.10 173.15 3aas s SER 28 N -3.02 1.79 -0.31 1.64 0.01 0.20 -1.19 113.70 112.82 3aas s SER 28 Ca 0.14 -0.30 -0.27 0.00 1.31 0.00 0.00 55.95 56.83 3aas s SER 28 Cb 0.00 -0.78 0.01 0.00 0.21 0.00 0.00 66.02 65.46 3aas s SER 28 CO 0.01 0.05 0.98 -0.22 0.41 0.00 0.00 173.24 174.47 3aas s LEU 29 N 0.58 4.00 -0.00 2.44 2.96 -0.06 -0.22 118.68 128.38 3aas s LEU 29 Ca -0.13 0.97 0.21 0.00 -0.22 0.00 0.00 54.13 54.95 3aas s LEU 29 Cb -0.15 -3.40 -0.23 0.00 0.50 0.00 0.00 46.19 42.91 3aas s LEU 29 CO 0.04 -0.78 0.86 2.30 -1.32 0.00 0.00 176.35 177.45 3aas n ILE 30 N 5.71 0.00 -3.69 6.68 -5.35 -0.70 -0.66 119.36 121.35 3aas n ILE 30 Ca 0.09 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.54 3aas n ILE 30 Cb 0.47 0.93 -0.00 0.00 -1.74 0.00 0.00 39.64 39.30 3aas n ILE 30 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3aas s ASN 31 N -3.08 -0.07 0.48 7.28 2.20 -1.23 -4.57 114.94 115.95 3aas s ASN 31 Ca 0.07 -0.22 0.26 0.00 -0.94 0.00 0.00 52.86 52.03 3aas s ASN 31 Cb 0.16 0.24 1.40 0.00 -2.00 0.00 0.00 41.25 41.04 3aas s ASN 31 CO 0.86 -0.45 1.76 0.77 -2.94 0.00 0.00 177.10 177.10 3aas h SER 32 N 2.00 0.00 0.00 3.54 4.64 -1.95 -2.92 113.55 118.86 3aas h SER 32 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3aas h SER 32 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3aas h SER 32 CO 0.28 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.24 3aas n GLN 33 N -2.52 1.78 -4.42 4.77 6.02 -1.26 -0.12 117.38 121.65 3aas n GLN 33 Ca -0.02 -0.28 -0.20 0.00 -0.01 0.00 0.00 57.00 56.48 3aas n GLN 33 Cb 0.21 -0.77 -0.14 0.00 1.02 0.00 0.00 30.24 30.57 3aas n GLN 33 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3aas s TRP 34 N -0.34 1.22 -0.02 1.08 0.52 -1.10 -0.96 118.94 119.34 3aas s TRP 34 Ca 0.00 -0.32 0.06 0.00 0.02 0.00 0.00 56.10 55.86 3aas s TRP 34 Cb 0.00 -0.74 -0.01 0.00 -1.15 0.00 0.00 33.47 31.57 3aas s TRP 34 CO 0.00 0.02 -0.19 0.08 0.02 0.00 0.00 176.95 176.88 3aas s VAL 35 N -0.72 1.50 -0.18 4.03 1.01 0.18 -1.72 120.40 124.50 3aas s VAL 35 Ca 0.02 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 3aas s VAL 35 Cb -0.07 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 3aas s VAL 35 CO 0.01 0.42 -0.01 -0.69 0.00 0.00 0.00 175.10 174.84 3aas s VAL 36 N -0.42 4.05 0.00 2.92 1.01 0.69 -0.60 120.40 128.06 3aas s VAL 36 Ca 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.76 3aas s VAL 36 Cb -0.08 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.50 3aas s VAL 36 CO -0.01 0.46 0.00 -0.24 0.00 0.00 0.00 175.10 175.31 3aas n SER 37 N 3.85 0.00 -4.84 3.32 2.88 -0.13 -0.63 113.62 118.06 3aas n SER 37 Ca -0.17 -0.89 -0.36 0.00 -1.33 0.00 0.00 58.87 56.11 3aas n SER 37 Cb 0.52 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 3aas n SER 37 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3aas s ALA 38 N -1.97 3.63 0.38 -1.46 0.00 -1.26 -0.76 121.76 120.32 3aas s ALA 38 Ca 0.00 -0.15 0.07 0.00 0.00 0.00 0.00 51.96 51.88 3aas s ALA 38 Cb 0.00 -2.48 0.77 0.00 0.00 0.00 0.00 23.12 21.41 3aas s ALA 38 CO 0.00 0.47 1.95 0.00 0.00 0.00 0.00 175.76 178.18 3aas h ALA 39 N 4.03 1.54 0.00 0.00 0.00 -1.70 -1.52 119.26 121.61 3aas h ALA 39 Ca -0.50 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3aas h ALA 39 Cb 1.20 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3aas h ALA 39 CO 0.64 0.34 0.00 -2.39 0.00 0.00 0.00 179.25 177.84 3aas n HIS 40 N -4.34 0.00 1.33 0.00 1.44 -1.26 -1.62 115.22 110.77 3aas n HIS 40 Ca 0.01 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.85 3aas n HIS 40 Cb 0.20 -0.14 0.38 0.00 0.12 0.00 0.00 29.99 30.54 3aas n HIS 40 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3aas n TYR 42 N 0.32 1.88 0.00 0.00 9.36 -0.64 -5.00 117.16 123.08 3aas n TYR 42 Ca 0.16 0.49 0.00 0.00 3.32 0.00 0.00 57.90 61.87 3aas n TYR 42 Cb 0.41 -2.33 0.00 0.00 -0.63 0.00 0.00 39.34 36.80 3aas n TYR 42 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 3aas n LYS 43 N -0.23 0.00 -2.46 2.98 2.85 -1.26 -5.15 118.16 114.90 3aas n LYS 43 Ca 0.08 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.09 3aas n LYS 43 Cb 0.41 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.83 3aas n LYS 43 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3aas s SER 44 N 0.00 5.35 -0.88 -5.58 1.04 -1.26 -4.47 113.70 107.90 3aas s SER 44 Ca 0.00 0.46 -0.05 0.00 0.48 0.00 0.00 55.95 56.84 3aas s SER 44 Cb 0.00 -1.37 0.01 0.00 0.10 0.00 0.00 66.02 64.76 3aas s SER 44 CO 0.00 -1.18 0.72 0.61 0.98 0.00 0.00 173.24 174.37 3aas n GLY 45 N -2.57 -0.01 3.76 7.32 0.00 -1.26 -5.00 105.19 107.42 3aas n GLY 45 Ca 0.06 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 3aas n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3aas s ILE 46 N -3.18 4.84 -0.14 -0.61 1.01 -1.26 -4.55 121.20 117.31 3aas s ILE 46 Ca 0.36 1.35 0.01 0.00 0.00 0.00 0.00 60.65 62.37 3aas s ILE 46 Cb -0.16 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.34 3aas s ILE 46 CO 0.44 0.41 -0.18 -1.58 0.00 0.00 0.00 174.94 174.03 3aas s GLN 47 N -0.23 3.14 -0.11 2.79 0.74 -0.04 -1.37 119.66 124.58 3aas s GLN 47 Ca 0.33 -0.79 -0.20 0.00 0.05 0.00 0.00 55.36 54.74 3aas s GLN 47 Cb -0.19 -2.53 -0.04 0.00 1.10 0.00 0.00 33.01 31.35 3aas s GLN 47 CO 0.19 0.03 0.58 0.08 -0.55 0.00 0.00 175.29 175.62 3aas s VAL 48 N 0.75 5.12 -0.27 1.34 1.01 0.44 -0.84 120.40 127.94 3aas s VAL 48 Ca -0.07 1.17 -0.03 0.00 0.00 0.00 0.00 61.98 63.05 3aas s VAL 48 Cb -0.16 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.33 3aas s VAL 48 CO 0.00 0.27 -0.02 -0.13 0.00 0.00 0.00 175.10 175.23 3aas s ARG 49 N 0.84 2.79 0.28 2.72 0.52 0.03 -0.91 118.95 125.22 3aas s ARG 49 Ca 0.31 -1.02 0.07 0.00 -0.52 0.00 0.00 55.73 54.57 3aas s ARG 49 Cb -0.16 -3.11 -0.03 0.00 0.52 0.00 0.00 34.95 32.16 3aas s ARG 49 CO 0.13 -0.46 0.21 -0.51 0.02 0.00 0.00 175.30 174.69 3aas s LEU 50 N 1.34 3.69 -1.33 2.53 1.02 -0.03 -1.62 118.68 124.29 3aas s LEU 50 Ca -0.01 -0.36 0.00 0.00 0.02 0.00 0.00 54.13 53.78 3aas s LEU 50 Cb -0.17 -2.25 0.00 0.00 0.02 0.00 0.00 46.19 43.79 3aas s LEU 50 CO -0.02 -0.14 0.00 0.61 0.02 0.00 0.00 176.35 176.82 3aas n GLY 51 N -1.22 0.49 3.86 -3.19 0.00 -1.26 -1.37 105.19 102.50 3aas n GLY 51 Ca -0.06 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 3aas n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3aas s GLU 52 N -4.08 3.87 0.00 1.61 0.41 -1.26 -3.78 118.70 115.47 3aas s GLU 52 Ca 0.00 0.35 0.00 0.00 -0.41 0.00 0.00 54.97 54.91 3aas s GLU 52 Cb 0.00 -2.83 0.00 0.00 -1.78 0.00 0.00 34.13 29.52 3aas s GLU 52 CO 0.00 0.43 0.00 -3.47 -0.49 0.00 0.00 175.26 171.73 3aas n ASP 53 N 0.45 0.00 -4.57 -0.19 2.03 -1.26 -4.58 116.55 108.44 3aas n ASP 53 Ca -0.03 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.85 3aas n ASP 53 Cb 0.52 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.87 3aas n ASP 53 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 3aas s ASN 54 N -0.45 6.50 0.00 1.67 3.04 -1.25 -2.90 114.94 121.55 3aas s ASN 54 Ca 0.00 0.15 0.18 0.00 0.04 0.00 0.00 52.86 53.24 3aas s ASN 54 Cb 0.00 -2.42 0.96 0.00 -1.54 0.00 0.00 41.25 38.24 3aas s ASN 54 CO 0.00 -0.93 1.55 2.30 -3.04 0.00 0.00 177.10 176.98 3aas n ILE 55 N 6.17 0.38 0.37 -5.21 -5.35 -0.02 -2.66 119.36 113.03 3aas n ILE 55 Ca 0.05 0.09 0.07 0.00 -0.27 0.00 0.00 62.75 62.69 3aas n ILE 55 Cb 0.48 -0.79 0.09 0.00 -1.74 0.00 0.00 39.64 37.68 3aas n ILE 55 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3aas n ASN 56 N -1.24 2.37 -3.87 7.28 5.03 -1.26 -4.95 115.26 118.62 3aas n ASN 56 Ca 0.10 -1.67 -0.19 0.00 0.87 0.00 0.00 54.58 53.69 3aas n ASN 56 Cb 0.13 -0.07 -0.16 0.00 -1.02 0.00 0.00 39.78 38.66 3aas n ASN 56 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3aas s VAL 57 N -1.09 0.41 -0.48 2.41 1.01 -1.09 -5.09 120.40 116.47 3aas s VAL 57 Ca 0.19 -0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.83 3aas s VAL 57 Cb 0.12 -0.46 0.03 0.00 0.00 0.00 0.00 36.38 36.07 3aas s VAL 57 CO 0.17 0.20 1.17 -0.69 0.00 0.00 0.00 175.10 175.95 3aas s VAL 58 N 0.95 4.15 -1.87 2.92 1.01 -1.26 -4.70 120.40 121.60 3aas s VAL 58 Ca -0.11 1.16 0.23 0.00 0.00 0.00 0.00 61.98 63.26 3aas s VAL 58 Cb -0.14 -4.58 -0.03 0.00 0.00 0.00 0.00 36.38 31.63 3aas s VAL 58 CO -0.01 -1.02 1.09 -0.62 0.00 0.00 0.00 175.10 174.54 3aas n GLU 59 N 7.94 1.01 0.00 2.72 1.02 -1.26 -5.00 120.64 127.07 3aas n GLU 59 Ca 0.12 -0.83 0.00 0.00 -0.02 0.00 0.00 57.16 56.43 3aas n GLU 59 Cb 0.49 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 3aas n GLU 59 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3aas n GLY 60 N 1.43 0.64 0.29 0.62 0.00 -1.26 -4.95 105.19 101.96 3aas n GLY 60 Ca 0.09 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.13 3aas n GLY 60 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3aas n ASN 61 N 0.00 2.36 -4.86 1.61 3.02 -1.26 -5.04 115.26 111.08 3aas n ASN 61 Ca 0.00 -1.94 -0.31 0.00 -0.03 0.00 0.00 54.58 52.29 3aas n ASN 61 Cb 0.00 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 3aas n ASN 61 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3aas s GLU 62 N -0.96 3.61 -0.11 3.52 8.01 -1.25 -4.36 118.70 127.16 3aas s GLU 62 Ca 0.10 0.82 -0.03 0.00 0.01 0.00 0.00 54.97 55.87 3aas s GLU 62 Cb 0.05 -2.08 0.05 0.00 -4.31 0.00 0.00 34.13 27.84 3aas s GLU 62 CO 0.07 -0.56 0.10 -0.65 0.01 0.00 0.00 175.26 174.23 3aas s GLN 63 N -4.93 0.01 -0.28 1.61 -0.21 -0.47 -4.96 119.66 110.43 3aas s GLN 63 Ca 0.56 0.21 -0.09 0.00 0.02 0.00 0.00 55.36 56.06 3aas s GLN 63 Cb -0.11 -1.05 -0.03 0.00 1.00 0.00 0.00 33.01 32.83 3aas s GLN 63 CO 0.49 -0.48 0.14 -0.06 -2.12 0.00 0.00 175.29 173.26 3aas s PHE 64 N 2.19 3.16 -0.07 0.91 0.08 -1.26 -0.85 117.98 122.14 3aas s PHE 64 Ca 0.04 -0.28 -0.00 0.00 0.12 0.00 0.00 56.93 56.80 3aas s PHE 64 Cb -0.14 -2.33 0.02 0.00 -0.57 0.00 0.00 43.02 40.01 3aas s PHE 64 CO -0.06 -0.32 -0.04 0.42 -0.10 0.00 0.00 175.22 175.11 3aas s ILE 65 N 1.67 0.64 0.56 0.64 1.01 -0.09 -4.98 121.20 120.64 3aas s ILE 65 Ca 0.06 -0.09 -0.20 0.00 0.00 0.00 0.00 60.65 60.43 3aas s ILE 65 Cb -0.16 -0.70 -0.05 0.00 0.01 0.00 0.00 42.46 41.55 3aas s ILE 65 CO 0.07 0.28 1.17 -0.44 0.00 0.00 0.00 174.94 176.02 3aas s SER 66 N 1.52 5.55 0.19 3.58 0.01 -1.26 -0.42 113.70 122.87 3aas s SER 66 Ca -0.01 2.28 -0.29 0.00 1.31 0.00 0.00 55.95 59.24 3aas s SER 66 Cb -0.13 -2.59 -0.08 0.00 0.21 0.00 0.00 66.02 63.43 3aas s SER 66 CO -0.04 -1.34 0.91 0.00 0.41 0.00 0.00 173.24 173.18 3aas s ALA 67 N -1.67 3.34 -0.17 1.44 0.00 -0.47 -1.13 121.76 123.09 3aas s ALA 67 Ca 0.74 0.56 0.17 0.00 0.00 0.00 0.00 51.96 53.43 3aas s ALA 67 Cb -0.27 -3.18 -0.25 0.00 0.00 0.00 0.00 23.12 19.42 3aas s ALA 67 CO 0.30 0.17 0.19 -1.13 0.00 0.00 0.00 175.76 175.28 3aas n SER 68 N 1.84 0.14 -3.71 0.00 3.41 0.60 -4.72 113.62 111.17 3aas n SER 68 Ca -0.02 0.06 -0.13 0.00 -0.26 0.00 0.00 58.87 58.52 3aas n SER 68 Cb 0.48 0.89 -0.09 0.00 -0.26 0.00 0.00 64.21 65.22 3aas n SER 68 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3aas s LYS 69 N -2.57 0.56 -0.06 4.33 2.20 -1.18 -5.01 119.74 118.01 3aas s LYS 69 Ca -0.09 0.63 0.05 0.00 -0.36 0.00 0.00 55.97 56.20 3aas s LYS 69 Cb 0.07 0.27 -0.02 0.00 -1.51 0.00 0.00 37.83 36.65 3aas s LYS 69 CO 0.83 -0.07 -0.22 -1.12 -0.36 0.00 0.00 175.35 174.41 3aas s SER 70 N 0.18 3.34 -0.27 1.43 0.01 -1.26 -0.54 113.70 116.59 3aas s SER 70 Ca -0.01 -0.43 -0.01 0.00 1.31 0.00 0.00 55.95 56.82 3aas s SER 70 Cb -0.03 -0.84 0.09 0.00 0.21 0.00 0.00 66.02 65.44 3aas s SER 70 CO 0.01 0.27 0.06 -0.63 0.41 0.00 0.00 173.24 173.36 3aas s ILE 71 N -0.29 0.93 0.30 1.44 1.01 0.63 -4.99 121.20 120.23 3aas s ILE 71 Ca 0.01 -1.21 -0.26 0.00 0.00 0.00 0.00 60.65 59.19 3aas s ILE 71 Cb -0.13 -1.57 -0.10 0.00 0.01 0.00 0.00 42.46 40.68 3aas s ILE 71 CO 0.03 -0.49 0.93 -0.69 0.00 0.00 0.00 174.94 174.72 3aas s VAL 72 N 1.62 4.20 0.30 2.92 1.01 -1.26 -0.81 120.40 128.38 3aas s VAL 72 Ca 0.05 1.85 -0.29 0.00 0.00 0.00 0.00 61.98 63.59 3aas s VAL 72 Cb -0.17 -4.06 -0.13 0.00 0.00 0.00 0.00 36.38 32.01 3aas s VAL 72 CO -0.18 0.21 1.20 1.57 0.00 0.00 0.00 175.10 177.89 3aas n HIS 73 N 0.73 1.83 -0.15 5.22 -0.00 -0.82 -4.86 115.22 117.17 3aas n HIS 73 Ca 0.01 0.60 0.14 0.00 0.46 0.00 0.00 57.72 58.93 3aas n HIS 73 Cb 0.50 -2.35 0.49 0.00 -0.12 0.00 0.00 29.99 28.51 3aas n HIS 73 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3aas h PRO 74 N 2.63 0.42 -0.55 1.57 0.13 -1.93 -2.21 132.00 132.06 3aas h PRO 74 Ca -0.43 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3aas h PRO 74 Cb 1.31 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3aas h PRO 74 CO 0.64 0.28 0.00 0.43 -0.23 0.00 0.00 178.00 179.12 3aas n SER 75 N -4.48 4.67 -4.69 1.44 7.64 -1.26 -4.99 113.62 111.95 3aas n SER 75 Ca 0.14 -2.60 -0.44 0.00 1.01 0.00 0.00 58.87 56.98 3aas n SER 75 Cb 0.49 -0.56 -0.03 0.00 -1.01 0.00 0.00 64.21 63.09 3aas n SER 75 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3aas n TYR 76 N 0.71 2.56 -4.00 1.43 9.36 -0.83 -4.72 117.16 121.67 3aas n TYR 76 Ca 0.24 0.02 -0.33 0.00 3.32 0.00 0.00 57.90 61.15 3aas n TYR 76 Cb 0.92 -2.67 -0.14 0.00 -0.63 0.00 0.00 39.34 36.82 3aas n TYR 76 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3aas s ASN 77 N 1.90 4.68 0.46 2.98 3.84 -0.72 -4.98 114.94 123.10 3aas s ASN 77 Ca 0.80 -1.57 0.31 0.00 0.21 0.00 0.00 52.86 52.61 3aas s ASN 77 Cb -0.55 -1.63 1.40 0.00 -0.55 0.00 0.00 41.25 39.92 3aas s ASN 77 CO 0.37 -0.27 1.93 0.77 -2.79 0.00 0.00 177.10 177.11 3aas h SER 78 N 7.81 0.00 -0.08 -4.21 4.64 -1.93 0.87 113.55 120.65 3aas h SER 78 Ca -0.16 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.00 3aas h SER 78 Cb 1.04 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.14 3aas h SER 78 CO 0.51 0.00 -0.56 0.78 -0.87 0.00 0.00 176.83 176.69 3aas h ASN 79 N 0.00 0.64 0.00 4.97 2.35 -1.97 -3.33 115.58 118.24 3aas h ASN 79 Ca 0.00 -0.66 0.00 0.00 -0.55 0.00 0.00 56.30 55.09 3aas h ASN 79 Cb 0.34 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3aas h ASN 79 CO 0.00 1.20 -1.14 0.35 -1.65 0.00 0.00 177.43 176.19 3aas n THR 80 N -4.20 0.00 -1.32 2.81 -2.24 -1.13 -4.98 114.28 103.22 3aas n THR 80 Ca -0.08 -0.18 -0.11 0.00 -2.27 0.00 0.00 64.05 61.40 3aas n THR 80 Cb 0.63 0.73 -0.05 0.00 -2.10 0.00 0.00 70.33 69.54 3aas n THR 80 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3aas n LEU 81 N -1.63 -0.70 -4.75 3.22 4.77 0.30 -4.97 117.00 113.24 3aas n LEU 81 Ca 0.01 0.28 -0.41 0.00 -0.03 0.00 0.00 56.01 55.86 3aas n LEU 81 Cb 0.34 -1.99 -0.04 0.00 -2.33 0.00 0.00 43.42 39.40 3aas n LEU 81 CO 0.37 -0.70 0.86 0.21 -1.33 0.00 0.00 177.39 176.80 3aas s ASN 82 N -2.70 7.12 -0.86 -1.43 2.47 -1.16 -3.04 114.94 115.34 3aas s ASN 82 Ca 0.00 2.31 -0.04 0.00 0.42 0.00 0.00 52.86 55.54 3aas s ASN 82 Cb 0.00 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.18 3aas s ASN 82 CO 0.00 -0.30 0.74 0.59 -3.72 0.00 0.00 177.10 174.41 3aas n ASN 83 N 1.77 -4.07 -4.18 -4.21 5.03 -1.26 -1.75 115.26 106.59 3aas n ASN 83 Ca 0.02 -0.37 -0.43 0.00 0.87 0.00 0.00 54.58 54.67 3aas n ASN 83 Cb 0.44 -3.47 0.00 0.00 -1.02 0.00 0.00 39.78 35.73 3aas n ASN 83 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 3aas n ASP 84 N -1.71 4.50 -3.81 6.41 2.03 -1.17 -4.29 116.55 118.52 3aas n ASP 84 Ca -0.05 -2.90 -0.12 0.00 0.52 0.00 0.00 54.79 52.24 3aas n ASP 84 Cb 0.56 -1.69 -0.11 0.00 -0.72 0.00 0.00 41.12 39.16 3aas n ASP 84 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3aas s ILE 85 N 3.46 0.03 -0.05 5.18 2.07 -1.26 -3.81 121.20 126.82 3aas s ILE 85 Ca 0.50 -0.28 -0.08 0.00 -1.41 0.00 0.00 60.65 59.38 3aas s ILE 85 Cb 0.08 -0.41 0.02 0.00 0.13 0.00 0.00 42.46 42.28 3aas s ILE 85 CO -0.00 -0.15 0.21 -0.32 -1.91 0.00 0.00 174.94 172.77 3aas s MET 86 N -0.55 0.36 -0.08 3.50 -2.45 0.06 -1.94 119.30 118.20 3aas s MET 86 Ca -0.06 0.08 -0.02 0.00 -1.25 0.00 0.00 55.69 54.43 3aas s MET 86 Cb -0.04 0.16 -0.03 0.00 1.25 0.00 0.00 34.83 36.17 3aas s MET 86 CO 0.01 -0.07 0.03 -0.51 1.05 0.00 0.00 175.02 175.53 3aas s LEU 87 N -0.42 3.71 -0.10 4.11 1.43 0.01 -0.96 118.68 126.46 3aas s LEU 87 Ca -0.05 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 3aas s LEU 87 Cb -0.03 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.30 3aas s LEU 87 CO 0.01 0.37 -0.11 -0.63 0.23 0.00 0.00 176.35 176.22 3aas s ILE 88 N -0.95 1.21 -0.12 -0.59 1.01 0.24 -0.27 121.20 121.74 3aas s ILE 88 Ca 0.15 -0.45 -0.08 0.00 0.00 0.00 0.00 60.65 60.27 3aas s ILE 88 Cb -0.11 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 3aas s ILE 88 CO 0.04 0.39 0.16 -0.75 0.00 0.00 0.00 174.94 174.78 3aas s LYS 89 N 1.25 3.55 0.22 2.79 2.20 0.30 -0.65 119.74 129.40 3aas s LYS 89 Ca -0.03 -0.10 -0.18 0.00 -0.36 0.00 0.00 55.97 55.30 3aas s LYS 89 Cb -0.14 -3.22 -0.08 0.00 -1.51 0.00 0.00 37.83 32.88 3aas s LYS 89 CO -0.04 0.72 0.70 -0.51 -0.36 0.00 0.00 175.35 175.86 3aas s LEU 90 N -0.88 4.32 0.49 5.43 1.43 -0.13 -0.29 118.68 129.05 3aas s LEU 90 Ca 0.15 1.35 0.16 0.00 -1.03 0.00 0.00 54.13 54.76 3aas s LEU 90 Cb -0.12 -3.56 1.20 0.00 0.03 0.00 0.00 46.19 43.74 3aas s LEU 90 CO 0.04 0.03 2.08 0.11 0.23 0.00 0.00 176.35 178.84 3aas h LYS 91 N 3.37 0.14 -3.81 1.70 1.57 -1.41 -3.42 116.57 114.70 3aas h LYS 91 Ca -0.48 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.15 3aas h LYS 91 Cb 1.19 -0.03 -0.19 0.00 0.08 0.00 0.00 32.23 33.28 3aas h LYS 91 CO 0.65 0.09 -0.58 -1.54 -0.57 0.00 0.00 179.45 177.51 3aas s SER 92 N -6.71 0.18 0.28 0.86 1.04 -1.26 -5.00 113.70 103.09 3aas s SER 92 Ca -0.06 -0.48 -0.29 0.00 0.48 0.00 0.00 55.95 55.60 3aas s SER 92 Cb 0.18 0.18 -0.10 0.00 0.10 0.00 0.00 66.02 66.38 3aas s SER 92 CO 0.70 -0.42 1.36 0.00 0.98 0.00 0.00 173.24 175.86 3aas s ALA 93 N -2.09 3.55 0.52 5.32 0.00 -1.26 -4.85 121.76 122.95 3aas s ALA 93 Ca -0.10 1.26 -0.18 0.00 0.00 0.00 0.00 51.96 52.94 3aas s ALA 93 Cb -0.04 -3.51 -0.07 0.00 0.00 0.00 0.00 23.12 19.50 3aas s ALA 93 CO -0.02 -0.67 1.04 0.00 0.00 0.00 0.00 175.76 176.11 3aas s ALA 94 N -0.50 2.84 -0.52 0.00 0.00 0.83 -4.98 121.76 119.43 3aas s ALA 94 Ca 0.54 0.50 -0.22 0.00 0.00 0.00 0.00 51.96 52.78 3aas s ALA 94 Cb -0.40 -3.23 0.05 0.00 0.00 0.00 0.00 23.12 19.53 3aas s ALA 94 CO 0.47 -0.46 0.80 0.45 0.00 0.00 0.00 175.76 177.02 3aas s SER 95 N -2.33 6.30 0.15 0.00 0.15 -1.26 -4.83 113.70 111.87 3aas s SER 95 Ca 0.65 -0.53 -0.30 0.00 0.70 0.00 0.00 55.95 56.47 3aas s SER 95 Cb -0.16 -2.37 -0.07 0.00 -1.71 0.00 0.00 66.02 61.71 3aas s SER 95 CO 0.26 -1.06 1.22 -0.76 1.20 0.00 0.00 173.24 174.10 3aas s LEU 96 N 3.37 4.42 0.00 3.45 1.43 -1.26 -4.81 118.68 125.28 3aas s LEU 96 Ca 0.25 2.19 0.00 0.00 -1.03 0.00 0.00 54.13 55.54 3aas s LEU 96 Cb -0.15 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.47 3aas s LEU 96 CO 0.17 -0.43 0.00 -0.46 0.23 0.00 0.00 176.35 175.86 3aas n ASN 97 N 3.01 0.00 0.24 2.29 0.23 0.29 -4.98 115.26 116.35 3aas n ASN 97 Ca 0.06 -0.42 0.11 0.00 -0.53 0.00 0.00 54.58 53.80 3aas n ASN 97 Cb 0.45 0.00 0.60 0.00 -2.08 0.00 0.00 39.78 38.75 3aas n ASN 97 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3aas h SER 98 N 0.00 0.00 0.00 0.53 4.64 -2.00 -3.08 113.55 113.63 3aas h SER 98 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3aas h SER 98 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3aas h SER 98 CO 0.00 0.17 -0.84 0.54 -0.87 0.00 0.00 176.83 175.83 3aas n ARG 99 N -3.49 1.16 -3.70 4.77 1.74 -1.26 -4.79 116.66 111.08 3aas n ARG 99 Ca -0.01 -0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.78 3aas n ARG 99 Cb 0.33 -1.33 -0.15 0.00 -1.02 0.00 0.00 32.46 30.29 3aas n ARG 99 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3aas s VAL 100 N -2.67 0.61 0.05 1.55 1.01 -1.16 -4.31 120.40 115.47 3aas s VAL 100 Ca 0.07 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 3aas s VAL 100 Cb 0.13 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 3aas s VAL 100 CO 0.73 -0.54 -0.02 0.00 0.00 0.00 0.00 175.10 175.26 3aas s ALA 101 N 1.77 0.42 0.43 5.51 0.00 -0.88 -0.54 121.76 128.46 3aas s ALA 101 Ca 0.06 -1.08 -0.06 0.00 0.00 0.00 0.00 51.96 50.88 3aas s ALA 101 Cb -0.17 0.26 -0.05 0.00 0.00 0.00 0.00 23.12 23.16 3aas s ALA 101 CO -0.22 -0.34 0.73 -1.54 0.00 0.00 0.00 175.76 174.39 3aas s SER 102 N -2.67 6.36 -0.09 0.00 1.04 -1.26 -2.85 113.70 114.23 3aas s SER 102 Ca 0.03 0.92 0.00 0.00 0.48 0.00 0.00 55.95 57.38 3aas s SER 102 Cb 0.05 -2.24 -0.03 0.00 0.10 0.00 0.00 66.02 63.90 3aas s SER 102 CO -0.08 -0.46 -0.08 -0.51 0.98 0.00 0.00 173.24 173.08 3aas s ILE 103 N -2.52 3.54 0.43 -1.02 1.10 0.17 -4.87 121.20 118.02 3aas s ILE 103 Ca 0.47 -0.52 -0.24 0.00 -0.51 0.00 0.00 60.65 59.85 3aas s ILE 103 Cb -0.10 -2.46 -0.08 0.00 0.15 0.00 0.00 42.46 39.96 3aas s ILE 103 CO 0.39 0.57 1.19 -0.44 -2.11 0.00 0.00 174.94 174.54 3aas s SER 104 N -0.41 6.33 0.37 4.50 0.01 -1.26 -4.55 113.70 118.69 3aas s SER 104 Ca 0.06 2.39 -0.14 0.00 1.31 0.00 0.00 55.95 59.57 3aas s SER 104 Cb -0.12 -2.61 -0.08 0.00 0.21 0.00 0.00 66.02 63.41 3aas s SER 104 CO 0.02 -0.81 0.77 -0.76 0.41 0.00 0.00 173.24 172.87 3aas s LEU 105 N -2.70 3.95 0.63 2.44 1.43 -1.26 -1.33 118.68 121.84 3aas s LEU 105 Ca 0.60 1.26 -0.14 0.00 -1.03 0.00 0.00 54.13 54.81 3aas s LEU 105 Cb -0.31 -4.10 -0.02 0.00 0.03 0.00 0.00 46.19 41.79 3aas s LEU 105 CO 0.39 -0.30 1.06 -2.16 0.23 0.00 0.00 176.35 175.57 3aas s PRO 106 N -3.36 3.18 -0.09 1.29 0.04 -1.26 -4.83 135.00 129.98 3aas s PRO 106 Ca 0.54 1.11 0.13 0.00 0.04 0.00 0.00 61.00 62.81 3aas s PRO 106 Cb -0.10 -2.02 -0.19 0.00 0.04 0.00 0.00 34.50 32.23 3aas s PRO 106 CO 0.23 -0.91 0.15 0.25 0.04 0.00 0.00 177.00 176.76 3aas n THR 107 N -2.43 0.55 -4.08 1.26 -2.24 -1.26 -4.94 114.28 101.14 3aas n THR 107 Ca 0.08 -0.47 -0.09 0.00 -2.27 0.00 0.00 64.05 61.30 3aas n THR 107 Cb 0.53 -0.32 -0.10 0.00 -2.10 0.00 0.00 70.33 68.33 3aas n THR 107 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3aas s SER 108 N -4.25 0.61 0.58 3.42 1.04 -1.26 -5.14 113.70 108.71 3aas s SER 108 Ca -0.06 -0.82 -0.17 0.00 0.48 0.00 0.00 55.95 55.38 3aas s SER 108 Cb 0.06 0.13 -0.04 0.00 0.10 0.00 0.00 66.02 66.27 3aas s SER 108 CO 0.57 -0.45 1.08 0.00 0.98 0.00 0.00 173.24 175.42 3aas s ALA 110 N -2.20 2.61 0.06 0.00 0.00 -1.26 -5.03 121.76 115.93 3aas s ALA 110 Ca 0.67 0.52 -0.11 0.00 0.00 0.00 0.00 51.96 53.04 3aas s ALA 110 Cb -0.19 -3.29 -0.06 0.00 0.00 0.00 0.00 23.12 19.59 3aas s ALA 110 CO 0.33 -1.02 0.40 -1.12 0.00 0.00 0.00 175.76 174.35 3aas s SER 111 N -2.57 6.68 0.33 0.00 0.01 -1.26 -5.04 113.70 111.85 3aas s SER 111 Ca 0.66 0.83 -0.29 0.00 1.31 0.00 0.00 55.95 58.46 3aas s SER 111 Cb -0.19 -2.19 -0.12 0.00 0.21 0.00 0.00 66.02 63.73 3aas s SER 111 CO 0.38 0.21 1.44 0.00 0.41 0.00 0.00 173.24 175.68 3aas n ALA 112 N 1.12 1.96 0.00 1.44 0.00 -1.26 -1.90 120.51 121.88 3aas n ALA 112 Ca -0.09 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.71 3aas n ALA 112 Cb 0.52 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.61 3aas n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3aas n GLY 113 N 1.09 2.52 3.75 0.00 0.00 0.43 -4.96 105.19 108.01 3aas n GLY 113 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3aas n GLY 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3aas s THR 114 N -2.60 2.71 -0.14 2.61 2.01 -0.80 -4.56 115.64 114.87 3aas s THR 114 Ca 0.00 0.63 -0.24 0.00 0.31 0.00 0.00 61.69 62.39 3aas s THR 114 Cb 0.00 -3.40 -0.02 0.00 0.01 0.00 0.00 72.50 69.08 3aas s THR 114 CO 0.00 0.12 0.75 -1.58 -0.69 0.00 0.00 174.62 173.22 3aas s GLN 115 N -0.83 4.32 0.39 4.92 2.00 -1.26 -1.25 119.66 127.95 3aas s GLN 115 Ca 0.56 0.90 0.08 0.00 -2.00 0.00 0.00 55.36 54.89 3aas s GLN 115 Cb -0.41 -3.54 -0.07 0.00 0.80 0.00 0.00 33.01 29.79 3aas s GLN 115 CO 0.46 -0.19 -0.02 0.00 -0.50 0.00 0.00 175.29 175.05 3aas s LEU 117 N -3.67 3.34 -0.09 0.00 2.96 0.11 -1.23 118.68 120.10 3aas s LEU 117 Ca 0.34 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 3aas s LEU 117 Cb 0.08 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 3aas s LEU 117 CO 0.17 -0.07 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.43 3aas s ILE 118 N 1.53 3.62 0.06 6.68 1.01 0.04 -1.21 121.20 132.93 3aas s ILE 118 Ca 0.05 -0.50 -0.05 0.00 0.00 0.00 0.00 60.65 60.16 3aas s ILE 118 Cb -0.15 -2.50 -0.02 0.00 0.01 0.00 0.00 42.46 39.80 3aas s ILE 118 CO 0.01 0.58 0.08 -0.94 0.00 0.00 0.00 174.94 174.66 3aas s SER 119 N -0.52 0.26 0.00 3.58 1.04 -1.21 -0.41 113.70 116.45 3aas s SER 119 Ca 0.08 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.79 3aas s SER 119 Cb -0.12 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.25 3aas s SER 119 CO 0.02 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.25 3aas n GLY 120 N 0.33 0.51 1.55 7.32 0.00 -0.55 -4.39 105.19 109.96 3aas n GLY 120 Ca -0.16 -1.09 0.01 0.00 0.00 0.00 0.00 46.02 44.77 3aas n GLY 120 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3aas n TRP 121 N -0.67 1.78 -1.67 1.61 8.01 -1.26 -1.77 117.44 123.47 3aas n TRP 121 Ca 0.00 -1.08 -0.30 0.00 -1.31 0.00 0.00 57.50 54.82 3aas n TRP 121 Cb 0.00 -0.52 0.20 0.00 -2.01 0.00 0.00 31.31 28.97 3aas n TRP 121 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 3aas s GLY 122 N -1.46 1.71 0.23 6.99 0.00 -1.25 -4.36 107.32 109.18 3aas s GLY 122 Ca 0.50 -1.09 -0.30 0.00 0.00 0.00 0.00 44.72 43.83 3aas s GLY 122 CO 0.11 -0.30 1.07 -2.01 0.00 0.00 0.00 173.10 171.97 3aas n ASN 123 N -4.04 1.24 -0.73 1.64 2.85 0.37 -2.88 115.26 113.72 3aas n ASN 123 Ca 0.14 1.16 0.08 0.00 -0.11 0.00 0.00 54.58 55.84 3aas n ASN 123 Cb 0.59 -1.24 0.13 0.00 1.24 0.00 0.00 39.78 40.51 3aas n ASN 123 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 3aas n THR 124 N 0.86 0.49 -4.36 -0.44 -2.24 -0.24 -0.94 114.28 107.42 3aas n THR 124 Ca 0.13 -0.75 -0.35 0.00 -2.27 0.00 0.00 64.05 60.81 3aas n THR 124 Cb 0.28 0.91 -0.09 0.00 -2.10 0.00 0.00 70.33 69.33 3aas n THR 124 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3aas s LYS 125 N -1.13 2.97 -0.08 -0.78 -0.14 -1.26 -4.40 119.74 114.92 3aas s LYS 125 Ca 0.24 -0.42 -0.19 0.00 -1.36 0.00 0.00 55.97 54.24 3aas s LYS 125 Cb 0.14 -2.78 -0.29 0.00 -1.68 0.00 0.00 37.83 33.22 3aas s LYS 125 CO 0.20 0.70 0.73 1.03 -0.76 0.00 0.00 175.35 177.25 3aas h SER 126 N 5.07 0.41 -3.74 2.83 0.87 -1.94 -3.42 113.55 113.63 3aas h SER 126 Ca -0.51 -0.90 -0.64 0.00 -1.23 0.00 0.00 61.79 58.52 3aas h SER 126 Cb 1.19 -0.13 -0.40 0.00 -0.44 0.00 0.00 62.40 62.61 3aas h SER 126 CO 0.55 1.49 -0.71 -0.94 -0.53 0.00 0.00 176.83 176.69 3aas s SER 127 N -6.98 4.40 0.00 6.23 1.04 -1.26 -4.61 113.70 112.51 3aas s SER 127 Ca -0.17 -2.33 0.00 0.00 0.48 0.00 0.00 55.95 53.93 3aas s SER 127 Cb 0.02 -1.43 0.00 0.00 0.10 0.00 0.00 66.02 64.72 3aas s SER 127 CO 0.79 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 175.29 3aas n GLY 128 N 4.00 0.66 3.01 7.32 0.00 -1.26 -5.09 105.19 113.83 3aas n GLY 128 Ca 0.04 -2.13 -0.13 0.00 0.00 0.00 0.00 46.02 43.80 3aas n GLY 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3aas s THR 129 N -1.11 -0.02 -0.30 2.61 -4.23 -1.26 -4.67 115.64 106.66 3aas s THR 129 Ca 0.00 0.08 -0.11 0.00 -1.18 0.00 0.00 61.69 60.47 3aas s THR 129 Cb 0.00 -0.27 0.14 0.00 1.34 0.00 0.00 72.50 73.71 3aas s THR 129 CO 0.00 0.03 0.72 -0.55 -0.54 0.00 0.00 174.62 174.28 3aas s SER 130 N 0.59 -1.03 -0.19 3.99 0.15 -1.26 -4.96 113.70 111.00 3aas s SER 130 Ca -0.04 1.42 -0.06 0.00 0.70 0.00 0.00 55.95 57.96 3aas s SER 130 Cb -0.06 2.16 -0.03 0.00 -1.71 0.00 0.00 66.02 66.38 3aas s SER 130 CO -0.03 -0.20 0.04 -0.31 1.20 0.00 0.00 173.24 173.94 3aas s TYR 131 N 2.78 3.15 0.63 3.44 2.02 -1.26 -1.08 117.35 127.03 3aas s TYR 131 Ca -0.05 -0.13 -0.11 0.00 -0.37 0.00 0.00 57.07 56.40 3aas s TYR 131 Cb -0.11 -2.09 -0.03 0.00 -0.40 0.00 0.00 41.96 39.33 3aas s TYR 131 CO -0.19 -0.01 1.03 -1.25 -1.57 0.00 0.00 175.55 173.56 3aas s PRO 132 N 0.67 3.50 -0.15 -1.71 0.04 -1.26 -4.98 135.00 131.11 3aas s PRO 132 Ca 0.02 0.70 0.18 0.00 0.04 0.00 0.00 61.00 61.94 3aas s PRO 132 Cb -0.13 -2.08 -0.25 0.00 0.04 0.00 0.00 34.50 32.07 3aas s PRO 132 CO 0.02 -0.62 0.22 -0.25 0.04 0.00 0.00 177.00 176.41 3aas n ASP 133 N -2.77 0.12 -4.94 6.66 8.00 -1.26 -4.91 116.55 117.44 3aas n ASP 133 Ca 0.06 0.06 -0.25 0.00 0.71 0.00 0.00 54.79 55.37 3aas n ASP 133 Cb 0.54 1.00 -0.02 0.00 -0.02 0.00 0.00 41.12 42.62 3aas n ASP 133 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3aas s VAL 134 N -2.67 5.20 0.19 2.53 -7.23 -1.26 -0.84 120.40 116.32 3aas s VAL 134 Ca -0.09 -0.56 -0.31 0.00 -1.81 0.00 0.00 61.98 59.21 3aas s VAL 134 Cb 0.07 -3.80 -0.09 0.00 0.56 0.00 0.00 36.38 33.12 3aas s VAL 134 CO 0.84 -0.31 1.45 -0.22 -0.31 0.00 0.00 175.10 176.55 3aas s LEU 135 N -3.75 4.38 0.08 1.32 2.96 -1.14 -4.81 118.68 117.72 3aas s LEU 135 Ca 0.38 2.55 0.04 0.00 -0.22 0.00 0.00 54.13 56.87 3aas s LEU 135 Cb -0.10 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 3aas s LEU 135 CO 0.31 -0.71 0.04 -0.54 -1.32 0.00 0.00 176.35 174.14 3aas s LYS 136 N 0.41 2.73 0.16 1.98 -0.14 -0.73 -2.29 119.74 121.86 3aas s LYS 136 Ca 0.63 -0.75 0.08 0.00 -1.36 0.00 0.00 55.97 54.56 3aas s LYS 136 Cb -0.41 -2.65 -0.04 0.00 -1.68 0.00 0.00 37.83 33.06 3aas s LYS 136 CO 0.36 0.56 -0.16 0.00 -0.76 0.00 0.00 175.35 175.35 3aas s LEU 138 N -2.78 0.10 -0.23 0.00 2.96 0.45 -0.72 118.68 118.46 3aas s LEU 138 Ca 0.16 0.73 -0.16 0.00 -0.22 0.00 0.00 54.13 54.64 3aas s LEU 138 Cb -0.04 1.07 -0.04 0.00 0.50 0.00 0.00 46.19 47.69 3aas s LEU 138 CO 0.06 -0.18 0.42 -0.54 -1.32 0.00 0.00 176.35 174.78 3aas s LYS 139 N 1.40 4.12 -0.06 1.98 -0.14 -1.26 -0.78 119.74 124.99 3aas s LYS 139 Ca -0.09 0.19 -0.05 0.00 -1.36 0.00 0.00 55.97 54.65 3aas s LYS 139 Cb -0.09 -3.59 0.01 0.00 -1.68 0.00 0.00 37.83 32.48 3aas s LYS 139 CO -0.11 -0.15 0.15 0.00 -0.76 0.00 0.00 175.35 174.48 3aas s ALA 140 N 1.67 -0.38 0.30 5.17 0.00 -0.36 -4.95 121.76 123.21 3aas s ALA 140 Ca 0.19 0.43 -0.13 0.00 0.00 0.00 0.00 51.96 52.45 3aas s ALA 140 Cb -0.15 -0.25 -0.08 0.00 0.00 0.00 0.00 23.12 22.63 3aas s ALA 140 CO 0.09 -0.07 0.68 -1.25 0.00 0.00 0.00 175.76 175.21 3aas s PRO 141 N 0.08 3.93 -0.03 0.00 0.04 -1.26 -0.11 135.00 137.65 3aas s PRO 141 Ca -0.00 0.54 -0.30 0.00 0.04 0.00 0.00 61.00 61.28 3aas s PRO 141 Cb -0.01 -2.49 -0.04 0.00 0.04 0.00 0.00 34.50 32.00 3aas s PRO 141 CO 0.00 0.19 1.20 0.42 0.04 0.00 0.00 177.00 178.85 3aas s ILE 142 N -1.97 4.22 0.64 0.56 1.01 -0.38 -1.36 121.20 123.92 3aas s ILE 142 Ca 0.52 1.56 -0.09 0.00 0.00 0.00 0.00 60.65 62.65 3aas s ILE 142 Cb -0.10 -4.00 0.01 0.00 0.01 0.00 0.00 42.46 38.37 3aas s ILE 142 CO 0.19 0.03 0.99 -0.76 0.00 0.00 0.00 174.94 175.40 3aas s LEU 143 N 1.93 3.09 0.62 2.97 1.43 0.21 -0.43 118.68 128.49 3aas s LEU 143 Ca 0.56 0.92 -0.18 0.00 -1.03 0.00 0.00 54.13 54.41 3aas s LEU 143 Cb -0.26 -3.74 -0.02 0.00 0.03 0.00 0.00 46.19 42.21 3aas s LEU 143 CO 0.24 -1.18 1.18 -0.94 0.23 0.00 0.00 176.35 175.88 3aas s SER 144 N -4.33 5.06 0.25 2.29 1.04 -1.26 -4.66 113.70 112.09 3aas s SER 144 Ca 0.56 2.30 -0.06 0.00 0.48 0.00 0.00 55.95 59.22 3aas s SER 144 Cb -0.11 -2.59 0.25 0.00 0.10 0.00 0.00 66.02 63.67 3aas s SER 144 CO 0.48 -1.68 1.92 0.44 0.98 0.00 0.00 173.24 175.39 3aas h ASP 145 N 0.58 1.13 -0.03 7.02 3.45 -1.96 -1.54 116.42 125.07 3aas h ASP 145 Ca -0.49 -0.03 0.01 0.00 0.43 0.00 0.00 57.03 56.95 3aas h ASP 145 Cb 1.29 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 39.76 3aas h ASP 145 CO 0.54 0.82 -0.03 -1.28 -1.57 0.00 0.00 179.24 177.72 3aas h SER 146 N 1.33 -0.09 -0.68 6.45 0.87 -1.99 -1.48 113.55 117.96 3aas h SER 146 Ca 0.36 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.89 3aas h SER 146 Cb -0.16 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 3aas h SER 146 CO -0.08 -0.04 0.27 0.28 -0.53 0.00 0.00 176.83 176.73 3aas h SER 147 N -0.04 0.96 0.09 6.23 0.02 -1.85 -1.61 113.55 117.35 3aas h SER 147 Ca 0.02 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.82 3aas h SER 147 Cb 0.07 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.36 3aas h SER 147 CO -0.05 0.86 -0.04 0.00 -1.14 0.00 0.00 176.83 176.46 3aas h LYS 149 N -0.25 0.09 -0.03 0.00 1.57 -1.16 -1.94 116.57 114.86 3aas h LYS 149 Ca -0.01 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.59 3aas h LYS 149 Cb 0.21 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 3aas h LYS 149 CO 0.02 0.28 -0.69 0.77 -0.57 0.00 0.00 179.45 179.26 3aas h SER 150 N 0.09 0.16 0.35 0.86 0.02 -1.07 -2.52 113.55 111.44 3aas h SER 150 Ca 0.02 -0.10 -0.18 0.00 -0.84 0.00 0.00 61.79 60.69 3aas h SER 150 Cb 0.39 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 3aas h SER 150 CO 0.03 0.80 -0.72 0.00 -1.14 0.00 0.00 176.83 175.79 3aas h ALA 151 N 1.20 0.65 -2.15 3.77 0.00 -0.56 -3.37 119.26 118.80 3aas h ALA 151 Ca -0.01 -0.61 -0.58 0.00 0.00 0.00 0.00 54.91 53.70 3aas h ALA 151 Cb 1.23 -0.07 -0.40 0.00 0.00 0.00 0.00 17.79 18.55 3aas h ALA 151 CO 0.10 0.78 -0.86 0.66 0.00 0.00 0.00 179.25 179.93 3aas n TYR 152 N -3.81 1.45 -1.60 0.00 4.01 -0.79 -4.94 117.16 111.47 3aas n TYR 152 Ca -0.04 -3.83 -0.54 0.00 -0.16 0.00 0.00 57.90 53.33 3aas n TYR 152 Cb 0.70 -0.42 -0.06 0.00 -0.31 0.00 0.00 39.34 39.25 3aas n TYR 152 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3aas n PRO 153 N 1.28 1.00 -2.04 -0.72 -0.02 -0.95 -1.87 135.00 131.68 3aas n PRO 153 Ca 0.25 0.36 -0.21 0.00 -2.02 0.00 0.00 63.50 61.89 3aas n PRO 153 Cb 0.47 -1.99 -0.04 0.00 -0.02 0.00 0.00 33.50 31.91 3aas n PRO 153 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3aas n GLY 154 N 2.69 0.62 0.00 -1.23 0.00 -1.26 -4.83 105.19 101.18 3aas n GLY 154 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3aas n GLY 154 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3aas n GLN 155 N -2.72 3.62 -3.46 1.61 6.02 -0.78 -5.03 117.38 116.63 3aas n GLN 155 Ca -0.23 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.37 3aas n GLN 155 Cb 0.68 -0.30 -0.10 0.00 1.02 0.00 0.00 30.24 31.54 3aas n GLN 155 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3aas s ILE 156 N -0.57 5.22 0.54 5.09 -1.09 -1.25 -5.03 121.20 124.11 3aas s ILE 156 Ca 0.00 0.19 0.06 0.00 -2.23 0.00 0.00 60.65 58.67 3aas s ILE 156 Cb 0.00 -3.71 0.06 0.00 -1.58 0.00 0.00 42.46 37.23 3aas s ILE 156 CO 0.00 0.07 0.75 0.42 -1.23 0.00 0.00 174.94 174.94 3aas s THR 157 N 1.94 2.52 -1.24 2.92 -4.23 -1.26 -4.97 115.64 111.31 3aas s THR 157 Ca 0.11 -0.88 0.13 0.00 -1.18 0.00 0.00 61.69 59.87 3aas s THR 157 Cb -0.16 -2.64 0.17 0.00 1.34 0.00 0.00 72.50 71.21 3aas s THR 157 CO 0.11 0.00 1.37 -1.54 -0.54 0.00 0.00 174.62 174.02 3aas n SER 158 N -2.22 0.00 -1.81 3.99 3.41 -1.26 -2.05 113.62 113.69 3aas n SER 158 Ca 0.12 0.27 0.08 0.00 -0.26 0.00 0.00 58.87 59.08 3aas n SER 158 Cb 0.60 -0.38 0.39 0.00 -0.26 0.00 0.00 64.21 64.57 3aas n SER 158 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3aas n ASN 159 N -1.38 5.50 -4.07 4.04 3.02 -1.26 -4.91 115.26 116.19 3aas n ASN 159 Ca 0.05 -2.83 -0.10 0.00 -0.03 0.00 0.00 54.58 51.68 3aas n ASN 159 Cb 0.12 -0.66 -0.11 0.00 -0.61 0.00 0.00 39.78 38.53 3aas n ASN 159 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3aas s MET 160 N -2.56 0.57 -0.02 3.52 -1.94 -0.87 -0.96 119.30 117.04 3aas s MET 160 Ca 0.54 -0.99 -0.15 0.00 -1.71 0.00 0.00 55.69 53.38 3aas s MET 160 Cb 0.40 -0.03 0.02 0.00 2.01 0.00 0.00 34.83 37.23 3aas s MET 160 CO 0.18 -0.04 0.31 -0.59 -0.01 0.00 0.00 175.02 174.88 3aas s PHE 161 N -2.64 -0.20 0.10 -0.03 -0.12 -0.46 -4.79 117.98 109.83 3aas s PHE 161 Ca -0.02 0.31 0.00 0.00 -0.05 0.00 0.00 56.93 57.18 3aas s PHE 161 Cb -0.01 0.10 -0.04 0.00 -0.63 0.00 0.00 43.02 42.44 3aas s PHE 161 CO -0.04 -0.38 0.26 0.00 -0.05 0.00 0.00 175.22 175.01 3aas s ALA 163 N -1.60 -0.81 0.00 0.00 0.00 -0.99 -0.62 121.76 117.74 3aas s ALA 163 Ca 0.36 0.70 0.00 0.00 0.00 0.00 0.00 51.96 53.01 3aas s ALA 163 Cb -0.12 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.70 3aas s ALA 163 CO 0.28 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.25 3aas n GLY 164 N 2.24 0.62 2.83 0.00 0.00 -0.47 -3.19 105.19 107.22 3aas n GLY 164 Ca -0.16 -1.61 -0.25 0.00 0.00 0.00 0.00 46.02 44.00 3aas n GLY 164 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3aas s TYR 165 N -3.47 1.08 0.45 1.61 1.51 -1.26 -4.36 117.35 112.91 3aas s TYR 165 Ca 0.00 -0.48 0.34 0.00 -1.01 0.00 0.00 57.07 55.92 3aas s TYR 165 Cb 0.00 -1.02 1.79 0.00 -0.11 0.00 0.00 41.96 42.63 3aas s TYR 165 CO 0.00 -0.43 2.17 -0.07 -1.11 0.00 0.00 175.55 176.11 3aas h LEU 166 N 8.25 0.00 -0.07 -1.29 3.38 -1.94 -1.82 115.31 121.81 3aas h LEU 166 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3aas h LEU 166 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3aas h LEU 166 CO 0.33 0.05 0.00 -1.84 0.09 0.00 0.00 178.44 177.07 3aas n GLU 167 N -3.38 0.04 0.00 1.13 0.00 -1.26 0.07 120.64 117.24 3aas n GLU 167 Ca -0.02 0.17 0.00 0.00 0.00 0.00 0.00 57.16 57.31 3aas n GLU 167 Cb 0.18 -1.57 0.00 0.00 0.00 0.00 0.00 31.44 30.05 3aas n GLU 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3aas n GLY 168 N 0.72 -1.11 0.00 -1.84 0.00 -0.69 -4.58 105.19 97.69 3aas n GLY 168 Ca 0.05 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.44 3aas n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3aas n GLY 169 N -1.30 3.05 2.89 -0.02 0.00 -0.30 -4.95 105.19 104.56 3aas n GLY 169 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3aas n GLY 169 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3aas s LYS 170 N -0.34 1.10 0.00 1.61 1.02 -1.26 -3.64 119.74 118.24 3aas s LYS 170 Ca 0.00 -0.14 -0.30 0.00 0.02 0.00 0.00 55.97 55.55 3aas s LYS 170 Cb 0.00 -1.16 0.11 0.00 -0.52 0.00 0.00 37.83 36.26 3aas s LYS 170 CO 0.00 -0.17 1.24 0.34 -0.92 0.00 0.00 175.35 175.84 3aas s ASP 171 N 1.35 -0.08 0.71 2.83 2.15 -0.62 -4.20 116.67 118.80 3aas s ASP 171 Ca -0.03 -0.17 -0.04 0.00 0.43 0.00 0.00 52.55 52.73 3aas s ASP 171 Cb -0.14 0.21 0.09 0.00 -0.30 0.00 0.00 42.92 42.78 3aas s ASP 171 CO -0.03 -0.38 0.99 -0.94 -0.17 0.00 0.00 175.17 174.64 3aas s SER 172 N -2.96 4.58 0.39 -0.34 1.04 -1.26 -0.33 113.70 114.82 3aas s SER 172 Ca 0.14 0.11 -0.15 0.00 0.48 0.00 0.00 55.95 56.52 3aas s SER 172 Cb 0.04 -0.66 0.06 0.00 0.10 0.00 0.00 66.02 65.56 3aas s SER 172 CO -0.03 -1.71 0.78 0.00 0.98 0.00 0.00 173.24 173.27 3aas n GLN 174 N -0.53 1.04 0.00 0.00 7.27 -1.26 -0.90 117.38 123.00 3aas n GLN 174 Ca -0.08 0.38 0.00 0.00 0.07 0.00 0.00 57.00 57.37 3aas n GLN 174 Cb 0.60 -2.02 0.00 0.00 2.41 0.00 0.00 30.24 31.23 3aas n GLN 174 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3aas n GLY 175 N 2.90 2.43 0.05 1.69 0.00 -1.26 -0.48 105.19 110.51 3aas n GLY 175 Ca 0.21 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.35 3aas n GLY 175 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3aas n ASP 176 N 0.00 0.59 -4.49 1.61 8.00 -0.08 -3.89 116.55 118.30 3aas n ASP 176 Ca 0.00 0.10 -0.56 0.00 0.71 0.00 0.00 54.79 55.04 3aas n ASP 176 Cb 0.00 0.04 -0.07 0.00 -0.02 0.00 0.00 41.12 41.08 3aas n ASP 176 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3aas n SER 177 N -1.91 -0.14 0.00 -2.24 7.64 -1.25 -0.77 113.62 114.94 3aas n SER 177 Ca 0.04 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.07 3aas n SER 177 Cb 0.40 -0.96 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 3aas n SER 177 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3aas n GLY 178 N 1.69 2.38 3.64 0.23 0.00 -0.18 0.13 105.19 113.08 3aas n GLY 178 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 3aas n GLY 178 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3aas s GLY 179 N -1.91 1.57 0.39 -0.02 0.00 0.05 -3.37 107.32 104.03 3aas s GLY 179 Ca 0.00 -0.64 -0.14 0.00 0.00 0.00 0.00 44.72 43.94 3aas s GLY 179 CO 0.00 0.10 0.81 2.56 0.00 0.00 0.00 173.10 176.57 3aas s PRO 180 N -5.16 3.94 -0.29 2.90 0.04 -1.26 -1.52 135.00 133.65 3aas s PRO 180 Ca 0.68 0.69 -0.01 0.00 0.04 0.00 0.00 61.00 62.40 3aas s PRO 180 Cb -0.15 -2.35 0.09 0.00 0.04 0.00 0.00 34.50 32.14 3aas s PRO 180 CO 0.57 0.00 0.08 0.08 0.04 0.00 0.00 177.00 177.78 3aas s VAL 181 N -2.24 0.81 -0.17 -0.36 1.01 -0.65 -3.29 120.40 115.52 3aas s VAL 181 Ca 0.55 -1.23 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 3aas s VAL 181 Cb -0.10 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 3aas s VAL 181 CO 0.24 -0.58 0.01 -0.69 0.00 0.00 0.00 175.10 174.09 3aas s VAL 182 N 1.66 4.37 -0.05 2.92 1.01 -0.35 -1.46 120.40 128.50 3aas s VAL 182 Ca 0.07 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.88 3aas s VAL 182 Cb -0.17 -2.94 0.02 0.00 0.00 0.00 0.00 36.38 33.28 3aas s VAL 182 CO -0.22 0.48 -0.07 0.00 0.00 0.00 0.00 175.10 175.29 3aas n SER 184 N 3.92 -4.58 -0.72 0.00 7.64 -1.26 -1.38 113.62 117.24 3aas n SER 184 Ca -0.24 -0.80 -0.09 0.00 1.01 0.00 0.00 58.87 58.75 3aas n SER 184 Cb 0.51 -3.81 -0.04 0.00 -1.01 0.00 0.00 64.21 59.86 3aas n SER 184 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3aas n GLY 185 N -1.68 1.07 3.15 0.23 0.00 -1.26 -5.01 105.19 101.69 3aas n GLY 185 Ca 0.03 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 3aas n GLY 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3aas s LYS 186 N -2.63 1.05 -0.72 1.61 -0.14 -0.48 -4.16 119.74 114.26 3aas s LYS 186 Ca 0.00 -0.71 -0.27 0.00 -1.36 0.00 0.00 55.97 53.63 3aas s LYS 186 Cb 0.00 -1.06 0.01 0.00 -1.68 0.00 0.00 37.83 35.11 3aas s LYS 186 CO 0.00 0.27 1.48 -1.17 -0.76 0.00 0.00 175.35 175.17 3aas s LEU 187 N -0.92 3.21 0.01 3.17 2.96 -0.44 -1.18 118.68 125.49 3aas s LEU 187 Ca 0.03 -0.27 0.22 0.00 -0.22 0.00 0.00 54.13 53.89 3aas s LEU 187 Cb -0.07 -2.55 -0.27 0.00 0.50 0.00 0.00 46.19 43.79 3aas s LEU 187 CO 0.01 -2.01 0.60 0.00 -1.32 0.00 0.00 176.35 173.63 3aas n GLN 188 N 9.29 0.60 -3.96 1.98 1.13 -0.54 -4.23 117.38 121.65 3aas n GLN 188 Ca 0.10 -0.14 -0.09 0.00 -1.94 0.00 0.00 57.00 54.93 3aas n GLN 188 Cb 0.50 -1.56 -0.07 0.00 0.11 0.00 0.00 30.24 29.21 3aas n GLN 188 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3aas s GLY 189 N -4.38 0.47 -0.07 1.08 0.00 -0.72 -1.78 107.32 101.92 3aas s GLY 189 Ca -0.06 -0.90 0.02 0.00 0.00 0.00 0.00 44.72 43.79 3aas s GLY 189 CO 0.89 -0.87 -0.12 -0.42 0.00 0.00 0.00 173.10 172.58 3aas s ILE 190 N -3.96 1.11 -0.18 0.90 1.01 -1.08 -1.64 121.20 117.36 3aas s ILE 190 Ca 0.16 -0.46 -0.30 0.00 0.00 0.00 0.00 60.65 60.06 3aas s ILE 190 Cb 0.04 -1.02 -0.07 0.00 0.01 0.00 0.00 42.46 41.42 3aas s ILE 190 CO -0.01 0.35 2.15 0.52 0.00 0.00 0.00 174.94 177.94 3aas n VAL 191 N 3.86 0.42 0.01 2.92 0.31 -0.58 -1.73 118.33 123.54 3aas n VAL 191 Ca -0.23 -0.34 -0.02 0.00 -0.01 0.00 0.00 64.34 63.74 3aas n VAL 191 Cb 0.52 -2.33 -0.01 0.00 -0.91 0.00 0.00 33.84 31.11 3aas n VAL 191 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3aas n SER 192 N 10.25 1.09 -1.12 4.52 2.88 -1.08 -1.01 113.62 129.14 3aas n SER 192 Ca 0.29 0.16 -0.01 0.00 -1.33 0.00 0.00 58.87 57.98 3aas n SER 192 Cb 0.40 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3aas n SER 192 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 3aas n TRP 193 N -3.53 -1.09 -3.60 0.66 4.27 -0.79 -4.95 117.44 108.42 3aas n TRP 193 Ca -0.03 -0.13 0.00 0.00 -3.89 0.00 0.00 57.50 53.45 3aas n TRP 193 Cb 0.12 0.06 0.00 0.00 -1.36 0.00 0.00 31.31 30.14 3aas n TRP 193 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 3aas n GLY 194 N -0.04 -0.72 2.81 -1.67 0.00 -1.26 0.34 105.19 104.66 3aas n GLY 194 Ca -0.01 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 3aas n GLY 194 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3aas s SER 195 N -4.00 3.97 0.00 1.61 0.15 -1.26 -5.02 113.70 109.15 3aas s SER 195 Ca 0.00 -2.65 0.00 0.00 0.70 0.00 0.00 55.95 54.00 3aas s SER 195 Cb 0.00 -1.26 0.00 0.00 -1.71 0.00 0.00 66.02 63.05 3aas s SER 195 CO 0.00 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.78 3aas n GLY 196 N 3.54 -1.62 2.86 9.45 0.00 -1.26 -4.69 105.19 113.46 3aas n GLY 196 Ca 0.06 -1.39 -0.19 0.00 0.00 0.00 0.00 46.02 44.50 3aas n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aas n ALA 198 N 4.17 -0.56 -2.01 0.00 0.00 -1.26 -4.61 120.51 116.24 3aas n ALA 198 Ca -0.24 0.19 -0.35 0.00 0.00 0.00 0.00 53.44 53.04 3aas n ALA 198 Cb 0.51 -1.99 -0.06 0.00 0.00 0.00 0.00 19.45 17.91 3aas n ALA 198 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3aas s GLN 199 N -4.66 4.25 0.34 0.00 -1.52 -1.26 -1.16 119.66 115.65 3aas s GLN 199 Ca 0.00 0.94 -0.29 0.00 -1.95 0.00 0.00 55.36 54.07 3aas s GLN 199 Cb 0.00 -2.65 -0.10 0.00 -0.22 0.00 0.00 33.01 30.03 3aas s GLN 199 CO 0.00 0.25 1.37 0.21 -0.25 0.00 0.00 175.29 176.87 3aas s LYS 200 N -2.42 4.28 -0.41 2.91 2.20 -1.26 -2.52 119.74 122.52 3aas s LYS 200 Ca 0.50 2.33 0.00 0.00 -0.36 0.00 0.00 55.97 58.44 3aas s LYS 200 Cb -0.14 -3.04 0.00 0.00 -1.51 0.00 0.00 37.83 33.14 3aas s LYS 200 CO 0.19 -0.30 0.00 0.09 -0.36 0.00 0.00 175.35 174.97 3aas n ASN 201 N 0.76 -4.99 -3.40 1.43 5.03 0.11 -4.91 115.26 109.29 3aas n ASN 201 Ca 0.01 0.09 -0.26 0.00 0.87 0.00 0.00 54.58 55.29 3aas n ASN 201 Cb 0.41 -2.83 -0.09 0.00 -1.02 0.00 0.00 39.78 36.25 3aas n ASN 201 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3aas n LYS 202 N -0.84 0.86 -1.55 3.52 4.76 -1.05 -4.76 118.16 119.09 3aas n LYS 202 Ca -0.04 -3.54 -0.30 0.00 -2.87 0.00 0.00 58.31 51.55 3aas n LYS 202 Cb 0.38 -1.67 0.07 0.00 -1.84 0.00 0.00 35.03 31.97 3aas n LYS 202 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3aas s PRO 203 N -0.86 2.49 0.55 1.97 0.04 -1.26 -4.37 135.00 133.56 3aas s PRO 203 Ca 0.33 0.81 -0.20 0.00 0.04 0.00 0.00 61.00 61.98 3aas s PRO 203 Cb 0.08 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.62 3aas s PRO 203 CO -0.14 -1.38 1.18 0.20 0.04 0.00 0.00 177.00 176.89 3aas s GLY 204 N -3.83 2.71 -0.07 0.56 0.00 -1.19 -4.63 107.32 100.86 3aas s GLY 204 Ca 0.59 0.94 0.02 0.00 0.00 0.00 0.00 44.72 46.27 3aas s GLY 204 CO 0.55 1.33 -0.12 0.14 0.00 0.00 0.00 173.10 174.99 3aas s VAL 205 N -1.65 3.23 0.06 1.40 1.01 0.15 -2.34 120.40 122.27 3aas s VAL 205 Ca 0.73 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 62.12 3aas s VAL 205 Cb -0.28 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 3aas s VAL 205 CO 0.31 0.58 -0.16 -0.31 0.00 0.00 0.00 175.10 175.52 3aas s TYR 206 N -0.52 1.34 0.13 5.22 1.51 0.49 -1.89 117.35 123.64 3aas s TYR 206 Ca 0.07 -0.41 -0.31 0.00 -1.01 0.00 0.00 57.07 55.42 3aas s TYR 206 Cb -0.12 -0.77 -0.08 0.00 -0.11 0.00 0.00 41.96 40.88 3aas s TYR 206 CO 0.02 0.07 1.39 0.99 -1.11 0.00 0.00 175.55 176.91 3aas s THR 207 N -1.05 3.23 -0.97 -0.71 2.01 -0.71 -1.36 115.64 116.08 3aas s THR 207 Ca 0.01 0.90 -0.22 0.00 0.31 0.00 0.00 61.69 62.69 3aas s THR 207 Cb -0.09 -3.58 0.08 0.00 0.01 0.00 0.00 72.50 68.92 3aas s THR 207 CO 0.02 0.08 1.32 -0.75 -0.69 0.00 0.00 174.62 174.60 3aas s LYS 208 N 0.94 3.56 0.36 4.92 2.20 -0.14 -2.62 119.74 128.97 3aas s LYS 208 Ca 0.64 -1.29 0.11 0.00 -0.36 0.00 0.00 55.97 55.07 3aas s LYS 208 Cb -0.37 -5.13 0.87 0.00 -1.51 0.00 0.00 37.83 31.68 3aas s LYS 208 CO 0.31 -2.05 1.84 0.28 -0.36 0.00 0.00 175.35 175.37 3aas h VAL 209 N 6.43 0.76 -0.06 4.02 2.07 -1.65 -2.27 116.25 125.55 3aas h VAL 209 Ca 0.15 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.47 3aas h VAL 209 Cb 1.02 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3aas h VAL 209 CO 1.31 0.12 0.20 0.00 0.02 0.00 0.00 177.57 179.22 3aas n ASN 211 N -3.19 0.17 -0.26 0.00 3.02 -0.86 -3.87 115.26 110.27 3aas n ASN 211 Ca -0.01 0.01 0.03 0.00 -0.03 0.00 0.00 54.58 54.58 3aas n ASN 211 Cb 0.28 -0.25 0.05 0.00 -0.61 0.00 0.00 39.78 39.24 3aas n ASN 211 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3aas n TYR 212 N -1.33 0.12 -0.34 3.10 4.01 0.77 -4.72 117.16 118.76 3aas n TYR 212 Ca 0.10 -0.27 0.03 0.00 -0.16 0.00 0.00 57.90 57.60 3aas n TYR 212 Cb 0.30 -0.02 0.19 0.00 -0.31 0.00 0.00 39.34 39.51 3aas n TYR 212 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3aas h VAL 213 N 0.99 1.10 -0.49 -0.72 2.07 -1.66 -0.10 116.25 117.45 3aas h VAL 213 Ca 0.00 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 3aas h VAL 213 Cb 0.43 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 3aas h VAL 213 CO 0.00 0.21 0.13 0.28 0.02 0.00 0.00 177.57 178.21 3aas h SER 214 N 1.14 0.74 -0.48 0.57 0.02 -1.88 -0.74 113.55 112.92 3aas h SER 214 Ca 0.40 -0.23 -0.06 0.00 -0.84 0.00 0.00 61.79 61.07 3aas h SER 214 Cb 0.13 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 3aas h SER 214 CO -0.15 0.77 0.06 -0.25 -1.14 0.00 0.00 176.83 176.13 3aas h TRP 215 N 0.67 0.87 0.13 3.45 7.01 -1.75 -1.18 115.95 125.14 3aas h TRP 215 Ca 0.16 -0.13 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 3aas h TRP 215 Cb 0.32 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.14 3aas h TRP 215 CO 0.02 0.80 -0.06 0.82 -2.79 0.00 0.00 178.44 177.23 3aas h ILE 216 N 0.68 0.91 -0.66 2.65 2.04 -0.86 -0.07 117.51 122.19 3aas h ILE 216 Ca 0.14 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.92 3aas h ILE 216 Cb 0.42 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 3aas h ILE 216 CO 0.01 0.03 0.42 0.11 0.00 0.00 0.00 178.15 178.72 3aas h LYS 217 N -0.22 0.82 -0.52 2.37 1.57 -1.05 -0.68 116.57 118.86 3aas h LYS 217 Ca -0.02 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.61 3aas h LYS 217 Cb 0.17 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3aas h LYS 217 CO 0.03 0.54 -0.08 1.96 -0.57 0.00 0.00 179.45 181.33 3aas h GLN 218 N 0.84 0.95 -0.24 3.15 4.20 -1.08 -2.04 115.11 120.89 3aas h GLN 218 Ca 0.26 -0.33 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 3aas h GLN 218 Cb -0.03 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 3aas h GLN 218 CO -0.08 0.99 -0.04 1.15 -0.67 0.00 0.00 178.83 180.17 3aas h THR 219 N 0.86 1.28 0.00 -0.54 2.02 -0.59 -2.74 112.91 113.19 3aas h THR 219 Ca 0.14 -1.02 0.00 0.00 0.77 0.00 0.00 66.41 66.30 3aas h THR 219 Cb 0.61 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 3aas h THR 219 CO 0.04 0.32 0.00 2.30 0.37 0.00 0.00 175.52 178.55 3aas n ILE 220 N -4.58 0.73 0.75 3.11 -5.35 -0.30 -2.27 119.36 111.45 3aas n ILE 220 Ca -0.04 0.01 0.13 0.00 -0.27 0.00 0.00 62.75 62.59 3aas n ILE 220 Cb 0.28 -0.93 0.45 0.00 -1.74 0.00 0.00 39.64 37.70 3aas n ILE 220 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3aas n ALA 221 N -1.79 2.38 -1.07 -1.28 0.00 -0.77 -3.77 120.51 114.20 3aas n ALA 221 Ca 0.03 -0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.44 3aas n ALA 221 Cb 0.31 -1.44 0.05 0.00 0.00 0.00 0.00 19.45 18.38 3aas n ALA 221 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3aas n SER 222 N -2.00 1.33 0.00 0.00 7.64 -0.96 -5.08 113.62 114.55 3aas n SER 222 Ca 0.06 -2.28 0.00 0.00 1.01 0.00 0.00 58.87 57.66 3aas n SER 222 Cb 0.40 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 3aas n SER 222 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62