#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfi s VAL 17 N 0.00 4.86 -0.09 1.39 1.01 0.42 -4.03 120.40 123.96 1sfi s VAL 17 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1sfi s VAL 17 Cb 0.00 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1sfi s VAL 17 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1sfi n GLY 18 N 3.50 0.48 0.00 4.51 0.00 -1.24 -1.84 105.19 110.61 1sfi n GLY 18 Ca -0.17 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1sfi n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sfi n GLY 19 N -2.76 2.00 3.10 -0.02 0.00 -1.26 -4.86 105.19 101.40 1sfi n GLY 19 Ca -0.01 -1.99 -0.08 0.00 0.00 0.00 0.00 46.02 43.95 1sfi n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1sfi s TYR 20 N 2.35 0.59 0.03 1.61 1.13 -0.15 -4.93 117.35 117.97 1sfi s TYR 20 Ca 0.00 -1.04 -0.30 0.00 -1.41 0.00 0.00 57.07 54.32 1sfi s TYR 20 Cb 0.00 -0.41 -0.08 0.00 -1.10 0.00 0.00 41.96 40.37 1sfi s TYR 20 CO 0.00 -0.34 1.73 0.99 -2.51 0.00 0.00 175.55 175.43 1sfi s THR 21 N -3.84 3.14 0.13 -3.49 2.01 -1.26 -0.39 115.64 111.94 1sfi s THR 21 Ca 0.08 0.41 -0.16 0.00 0.31 0.00 0.00 61.69 62.33 1sfi s THR 21 Cb 0.07 -3.27 -0.01 0.00 0.01 0.00 0.00 72.50 69.30 1sfi s THR 21 CO -0.09 -0.02 1.69 0.00 -0.69 0.00 0.00 174.62 175.51 1sfi n GLY 23 N -0.81 2.78 3.71 0.00 0.00 -1.26 -4.84 105.19 104.77 1sfi n GLY 23 Ca -0.00 -1.59 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 1sfi n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sfi n ALA 24 N 0.96 2.50 -1.97 4.61 0.00 -1.26 -2.42 120.51 122.93 1sfi n ALA 24 Ca 0.00 0.41 -0.18 0.00 0.00 0.00 0.00 53.44 53.67 1sfi n ALA 24 Cb 0.00 -2.49 -0.04 0.00 0.00 0.00 0.00 19.45 16.92 1sfi n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1sfi n ASN 25 N 3.88 -5.07 -0.00 0.00 4.13 -1.26 -4.85 115.26 112.09 1sfi n ASN 25 Ca 0.16 0.25 0.14 0.00 1.68 0.00 0.00 54.58 56.82 1sfi n ASN 25 Cb 0.33 -4.38 0.63 0.00 -1.54 0.00 0.00 39.78 34.82 1sfi n ASN 25 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1sfi n THR 26 N -3.01 0.00 -3.58 3.41 -2.24 -1.02 -3.96 114.28 103.89 1sfi n THR 26 Ca -0.20 -0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.31 1sfi n THR 26 Cb 0.63 -0.49 -0.10 0.00 -2.10 0.00 0.00 70.33 68.27 1sfi n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1sfi n VAL 27 N -1.48 0.50 0.42 2.28 0.31 -1.26 -4.99 118.33 114.12 1sfi n VAL 27 Ca 0.08 -4.33 0.12 0.00 -0.01 0.00 0.00 64.34 60.20 1sfi n VAL 27 Cb 0.33 -1.97 0.49 0.00 -0.91 0.00 0.00 33.84 31.78 1sfi n VAL 27 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1sfi h PRO 28 N 5.15 0.00 -0.00 5.55 0.13 -1.81 -1.60 132.00 139.41 1sfi h PRO 28 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1sfi h PRO 28 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1sfi h PRO 28 CO 0.59 0.00 -0.48 2.48 -0.23 0.00 0.00 178.00 180.36 1sfi n TYR 29 N -2.31 0.00 -2.36 1.56 0.18 -1.16 -2.31 117.16 110.76 1sfi n TYR 29 Ca 0.03 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.39 1sfi n TYR 29 Cb 0.27 -0.18 -0.03 0.00 -0.38 0.00 0.00 39.34 39.01 1sfi n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1sfi s GLN 30 N -2.84 4.41 0.26 -3.48 2.00 -0.60 -0.84 119.66 118.56 1sfi s GLN 30 Ca 0.15 1.84 0.10 0.00 -2.00 0.00 0.00 55.36 55.45 1sfi s GLN 30 Cb 0.18 -3.32 -0.05 0.00 0.80 0.00 0.00 33.01 30.62 1sfi s GLN 30 CO 0.66 -0.29 -0.17 0.14 -0.50 0.00 0.00 175.29 175.13 1sfi s VAL 31 N 1.01 2.22 -0.12 1.34 -7.23 -0.33 -4.48 120.40 112.81 1sfi s VAL 31 Ca 0.60 -2.33 -0.03 0.00 -1.81 0.00 0.00 61.98 58.41 1sfi s VAL 31 Cb -0.31 -2.25 -0.03 0.00 0.56 0.00 0.00 36.38 34.34 1sfi s VAL 31 CO 0.30 -0.44 -0.01 -0.55 -0.31 0.00 0.00 175.10 174.09 1sfi s SER 32 N -3.46 5.13 -0.23 4.85 0.15 -0.62 -2.14 113.70 117.38 1sfi s SER 32 Ca 0.28 0.05 -0.10 0.00 0.70 0.00 0.00 55.95 56.88 1sfi s SER 32 Cb -0.03 -1.60 -0.05 0.00 -1.71 0.00 0.00 66.02 62.63 1sfi s SER 32 CO 0.13 0.29 0.14 -0.76 1.20 0.00 0.00 173.24 174.24 1sfi s LEU 33 N -0.38 4.00 -0.05 3.45 1.43 0.10 -0.64 118.68 126.59 1sfi s LEU 33 Ca 0.07 0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.28 1sfi s LEU 33 Cb -0.12 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.03 1sfi s LEU 33 CO 0.02 0.07 -0.16 0.21 0.23 0.00 0.00 176.35 176.72 1sfi s ASN 34 N 1.04 2.10 -0.34 2.29 3.84 -0.34 -1.66 114.94 121.87 1sfi s ASN 34 Ca 0.07 -0.35 0.14 0.00 0.21 0.00 0.00 52.86 52.93 1sfi s ASN 34 Cb -0.14 -0.74 0.46 0.00 -0.55 0.00 0.00 41.25 40.28 1sfi s ASN 34 CO 0.04 0.11 1.04 -1.54 -2.79 0.00 0.00 177.10 173.96 1sfi n SER 37 N 3.39 2.64 0.00 -4.21 3.41 -1.26 -1.55 113.62 116.04 1sfi n SER 37 Ca -0.20 -2.96 0.00 0.00 -0.26 0.00 0.00 58.87 55.45 1sfi n SER 37 Cb 0.53 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1sfi n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sfi n GLY 38 N -0.32 0.75 3.62 5.00 0.00 -1.26 -5.00 105.19 107.98 1sfi n GLY 38 Ca 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.18 1sfi n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1sfi s TYR 39 N -2.33 -0.12 0.10 1.61 1.13 -1.26 -5.15 117.35 111.33 1sfi s TYR 39 Ca 0.00 0.16 -0.30 0.00 -1.41 0.00 0.00 57.07 55.51 1sfi s TYR 39 Cb 0.00 0.50 -0.06 0.00 -1.10 0.00 0.00 41.96 41.30 1sfi s TYR 39 CO 0.00 -0.14 1.14 -1.58 -2.51 0.00 0.00 175.55 172.46 1sfi s HIS 40 N -1.62 3.51 0.00 -3.49 5.65 -1.26 -4.27 115.29 113.81 1sfi s HIS 40 Ca 0.08 1.45 0.00 0.00 0.25 0.00 0.00 55.06 56.83 1sfi s HIS 40 Cb -0.01 -3.34 0.00 0.00 -1.18 0.00 0.00 32.58 28.05 1sfi s HIS 40 CO -0.05 -0.92 0.00 1.97 -0.65 0.00 0.00 174.74 175.09 1sfi n PHE 41 N 3.38 0.00 -3.55 3.88 1.16 -0.67 -4.98 117.46 116.68 1sfi n PHE 41 Ca 0.06 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.54 1sfi n PHE 41 Cb 0.47 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.32 1sfi n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1sfi n GLY 43 N -0.40 2.24 3.86 0.00 0.00 0.57 -0.72 105.19 110.75 1sfi n GLY 43 Ca -0.13 -2.21 -0.03 0.00 0.00 0.00 0.00 46.02 43.65 1sfi n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sfi s GLY 44 N -3.46 0.06 -0.05 -0.02 0.00 -0.91 -3.62 107.32 99.32 1sfi s GLY 44 Ca 0.31 -0.26 0.01 0.00 0.00 0.00 0.00 44.72 44.79 1sfi s GLY 44 CO 0.20 2.03 -0.06 -0.56 0.00 0.00 0.00 173.10 174.71 1sfi s SER 45 N -3.33 1.12 -0.19 1.64 0.01 0.23 -1.19 113.70 112.00 1sfi s SER 45 Ca 0.20 -0.17 -0.29 0.00 1.31 0.00 0.00 55.95 57.00 1sfi s SER 45 Cb -0.02 -0.53 0.00 0.00 0.21 0.00 0.00 66.02 65.67 1sfi s SER 45 CO 0.05 -0.03 1.06 -0.22 0.41 0.00 0.00 173.24 174.51 1sfi s LEU 46 N 0.84 4.15 0.00 2.44 2.96 -0.02 -0.70 118.68 128.35 1sfi s LEU 46 Ca -0.12 1.47 0.10 0.00 -0.22 0.00 0.00 54.13 55.36 1sfi s LEU 46 Cb -0.15 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 42.89 1sfi s LEU 46 CO 0.01 -0.62 0.45 2.30 -1.32 0.00 0.00 176.35 177.17 1sfi n ILE 47 N 5.11 0.00 -3.85 6.68 -5.35 -0.41 -1.32 119.36 120.23 1sfi n ILE 47 Ca 0.11 -0.25 -0.06 0.00 -0.27 0.00 0.00 62.75 62.28 1sfi n ILE 47 Cb 0.47 1.00 0.02 0.00 -1.74 0.00 0.00 39.64 39.39 1sfi n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1sfi s ASN 48 N -1.98 0.02 0.32 7.28 2.20 -1.19 -4.62 114.94 116.98 1sfi s ASN 48 Ca 0.04 -0.97 0.25 0.00 -0.94 0.00 0.00 52.86 51.24 1sfi s ASN 48 Cb 0.08 0.70 1.13 0.00 -2.00 0.00 0.00 41.25 41.16 1sfi s ASN 48 CO 0.43 -1.40 1.75 0.77 -2.94 0.00 0.00 177.10 175.71 1sfi h SER 49 N 2.00 0.00 -0.00 3.54 4.64 -1.97 -3.00 113.55 118.76 1sfi h SER 49 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1sfi h SER 49 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1sfi h SER 49 CO 0.40 0.00 -0.00 0.00 -0.87 0.00 0.00 176.83 176.36 1sfi n GLN 50 N -2.36 -0.27 -4.31 4.77 6.02 -1.26 -0.69 117.38 119.28 1sfi n GLN 50 Ca 0.01 -0.48 -0.18 0.00 -0.01 0.00 0.00 57.00 56.34 1sfi n GLN 50 Cb 0.18 -0.96 -0.14 0.00 1.02 0.00 0.00 30.24 30.33 1sfi n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1sfi s TRP 51 N -0.12 0.79 0.00 1.08 0.52 -1.14 -0.75 118.94 119.33 1sfi s TRP 51 Ca 0.00 -0.20 0.06 0.00 0.02 0.00 0.00 56.10 55.99 1sfi s TRP 51 Cb 0.00 -0.50 -0.02 0.00 -1.15 0.00 0.00 33.47 31.81 1sfi s TRP 51 CO 0.01 -0.01 -0.19 0.08 0.02 0.00 0.00 176.95 176.85 1sfi s VAL 52 N -0.38 1.51 -0.17 4.03 1.01 0.16 -1.29 120.40 125.27 1sfi s VAL 52 Ca 0.02 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 61.02 1sfi s VAL 52 Cb -0.04 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 1sfi s VAL 52 CO -0.00 0.36 0.08 -0.69 0.00 0.00 0.00 175.10 174.85 1sfi s VAL 53 N -0.54 5.00 0.00 2.92 1.01 0.12 -0.62 120.40 128.30 1sfi s VAL 53 Ca 0.07 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1sfi s VAL 53 Cb -0.08 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1sfi s VAL 53 CO -0.00 0.48 0.00 -0.24 0.00 0.00 0.00 175.10 175.34 1sfi n SER 54 N 3.28 0.00 -4.88 3.32 2.88 -0.41 -0.60 113.62 117.21 1sfi n SER 54 Ca -0.17 -0.61 -0.36 0.00 -1.33 0.00 0.00 58.87 56.41 1sfi n SER 54 Cb 0.53 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.93 1sfi n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sfi s ALA 55 N -1.88 3.88 0.43 -1.46 0.00 -1.26 -1.19 121.76 120.28 1sfi s ALA 55 Ca 0.00 -0.62 0.09 0.00 0.00 0.00 0.00 51.96 51.43 1sfi s ALA 55 Cb 0.00 -2.01 0.95 0.00 0.00 0.00 0.00 23.12 22.07 1sfi s ALA 55 CO 0.00 0.65 2.08 0.00 0.00 0.00 0.00 175.76 178.49 1sfi h ALA 56 N 4.40 1.78 0.00 0.00 0.00 -1.67 -1.69 119.26 122.08 1sfi h ALA 56 Ca -0.52 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1sfi h ALA 56 Cb 1.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1sfi h ALA 56 CO 0.63 0.20 0.00 -2.39 0.00 0.00 0.00 179.25 177.70 1sfi n HIS 57 N -4.49 0.00 1.42 0.00 1.44 -1.26 -1.76 115.22 110.58 1sfi n HIS 57 Ca 0.02 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.87 1sfi n HIS 57 Cb 0.07 -0.36 0.54 0.00 0.12 0.00 0.00 29.99 30.37 1sfi n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1sfi n TYR 59 N -0.58 2.56 -3.58 0.00 9.36 -0.72 -5.01 117.16 119.18 1sfi n TYR 59 Ca 0.16 0.51 -0.06 0.00 3.32 0.00 0.00 57.90 61.82 1sfi n TYR 59 Cb 0.31 -2.46 -0.02 0.00 -0.63 0.00 0.00 39.34 36.54 1sfi n TYR 59 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 1sfi s LYS 60 N -2.00 0.83 0.68 2.98 -2.85 -1.26 -5.15 119.74 112.97 1sfi s LYS 60 Ca 0.55 -0.36 -0.11 0.00 -1.00 0.00 0.00 55.97 55.05 1sfi s LYS 60 Cb -0.53 0.35 -0.00 0.00 -2.06 0.00 0.00 37.83 35.59 1sfi s LYS 60 CO 0.63 -0.37 1.06 -1.12 0.10 0.00 0.00 175.35 175.64 1sfi s SER 61 N -2.59 5.58 -0.68 0.03 0.01 -1.26 -4.29 113.70 110.49 1sfi s SER 61 Ca 0.08 1.46 -0.00 0.00 1.31 0.00 0.00 55.95 58.79 1sfi s SER 61 Cb -0.01 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.86 1sfi s SER 61 CO -0.06 -1.30 0.01 0.61 0.41 0.00 0.00 173.24 172.92 1sfi n GLY 62 N -2.38 0.05 3.73 3.44 0.00 -1.26 -5.00 105.19 103.76 1sfi n GLY 62 Ca 0.07 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 1sfi n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sfi s ILE 63 N -2.42 4.26 -0.21 -0.61 1.01 -1.26 -4.66 121.20 117.30 1sfi s ILE 63 Ca 0.01 1.94 -0.06 0.00 0.00 0.00 0.00 60.65 62.53 1sfi s ILE 63 Cb -0.00 -4.24 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 1sfi s ILE 63 CO 0.01 0.33 0.03 -1.58 0.00 0.00 0.00 174.94 173.72 1sfi s GLN 64 N -0.25 3.69 -0.07 2.79 0.74 -0.59 -1.29 119.66 124.67 1sfi s GLN 64 Ca 0.47 -0.48 -0.18 0.00 0.05 0.00 0.00 55.36 55.22 1sfi s GLN 64 Cb -0.25 -3.16 -0.05 0.00 1.10 0.00 0.00 33.01 30.64 1sfi s GLN 64 CO 0.32 0.01 0.47 0.08 -0.55 0.00 0.00 175.29 175.61 1sfi s VAL 65 N 1.05 5.11 -0.30 1.34 1.01 0.27 -1.19 120.40 127.68 1sfi s VAL 65 Ca 0.03 0.96 -0.00 0.00 0.00 0.00 0.00 61.98 62.96 1sfi s VAL 65 Cb -0.14 -3.80 0.06 0.00 0.00 0.00 0.00 36.38 32.49 1sfi s VAL 65 CO 0.02 0.40 -0.02 -0.13 0.00 0.00 0.00 175.10 175.37 1sfi s ARG 66 N 0.10 2.32 0.25 2.72 0.52 0.18 -1.25 118.95 123.78 1sfi s ARG 66 Ca 0.26 -1.34 0.05 0.00 -0.52 0.00 0.00 55.73 54.18 1sfi s ARG 66 Cb -0.16 -3.12 -0.03 0.00 0.52 0.00 0.00 34.95 32.16 1sfi s ARG 66 CO 0.12 -0.64 0.37 -0.51 0.02 0.00 0.00 175.30 174.66 1sfi s LEU 67 N 1.19 4.30 -0.88 2.53 1.02 0.04 -1.59 118.68 125.28 1sfi s LEU 67 Ca -0.05 0.07 0.00 0.00 0.02 0.00 0.00 54.13 54.17 1sfi s LEU 67 Cb -0.20 -2.87 0.00 0.00 0.02 0.00 0.00 46.19 43.14 1sfi s LEU 67 CO -0.03 -0.09 0.00 0.61 0.02 0.00 0.00 176.35 176.86 1sfi n GLY 69 N -1.43 0.99 3.80 -3.19 0.00 -1.26 -1.72 105.19 102.38 1sfi n GLY 69 Ca -0.09 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 1sfi n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sfi s GLU 70 N -2.47 4.39 0.00 1.61 0.41 -1.26 -3.77 118.70 117.61 1sfi s GLU 70 Ca 0.00 1.10 0.00 0.00 -0.41 0.00 0.00 54.97 55.66 1sfi s GLU 70 Cb 0.00 -2.73 0.00 0.00 -1.78 0.00 0.00 34.13 29.62 1sfi s GLU 70 CO 0.00 0.28 0.00 -3.47 -0.49 0.00 0.00 175.26 171.58 1sfi n ASP 71 N 0.42 0.00 -4.60 -0.19 2.03 -1.26 -4.61 116.55 108.34 1sfi n ASP 71 Ca 0.01 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.89 1sfi n ASP 71 Cb 0.51 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.89 1sfi n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1sfi s ASN 72 N -0.42 6.61 0.00 1.67 3.84 -1.26 -3.37 114.94 122.01 1sfi s ASN 72 Ca 0.00 0.44 0.20 0.00 0.21 0.00 0.00 52.86 53.71 1sfi s ASN 72 Cb 0.00 -2.55 1.08 0.00 -0.55 0.00 0.00 41.25 39.23 1sfi s ASN 72 CO 0.00 -1.28 1.62 2.30 -2.79 0.00 0.00 177.10 176.95 1sfi n ILE 73 N 6.85 0.26 0.43 -5.21 -5.35 -0.15 -2.98 119.36 113.21 1sfi n ILE 73 Ca 0.12 0.06 0.07 0.00 -0.27 0.00 0.00 62.75 62.73 1sfi n ILE 73 Cb 0.49 -0.74 0.08 0.00 -1.74 0.00 0.00 39.64 37.73 1sfi n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1sfi n ASN 74 N -1.18 2.32 -3.99 7.28 3.02 -1.26 -4.95 115.26 116.50 1sfi n ASN 74 Ca 0.12 -1.65 -0.19 0.00 -0.03 0.00 0.00 54.58 52.83 1sfi n ASN 74 Cb 0.13 -0.05 -0.15 0.00 -0.61 0.00 0.00 39.78 39.09 1sfi n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1sfi s VAL 75 N -1.12 0.67 -0.51 2.41 1.01 -1.16 -5.10 120.40 116.60 1sfi s VAL 75 Ca 0.18 -0.31 -0.27 0.00 0.00 0.00 0.00 61.98 61.57 1sfi s VAL 75 Cb 0.12 -0.60 0.03 0.00 0.00 0.00 0.00 36.38 35.93 1sfi s VAL 75 CO 0.18 0.21 1.09 -0.69 0.00 0.00 0.00 175.10 175.88 1sfi s VAL 76 N 0.13 4.23 -0.03 2.92 1.01 -1.26 -4.74 120.40 122.66 1sfi s VAL 76 Ca -0.02 0.92 0.19 0.00 0.00 0.00 0.00 61.98 63.08 1sfi s VAL 76 Cb -0.07 -4.60 -0.29 0.00 0.00 0.00 0.00 36.38 31.42 1sfi s VAL 76 CO 0.00 -1.08 0.41 -0.62 0.00 0.00 0.00 175.10 173.81 1sfi n GLU 77 N 7.83 0.57 0.00 2.72 1.02 -1.26 -5.03 120.64 126.49 1sfi n GLU 77 Ca 0.09 -0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1sfi n GLU 77 Cb 0.49 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 1sfi n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sfi n GLY 78 N 1.44 1.11 0.00 0.62 0.00 -1.26 -4.99 105.19 102.10 1sfi n GLY 78 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1sfi n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sfi n ASN 79 N 0.00 1.57 -4.76 1.61 3.02 -1.26 -5.06 115.26 110.37 1sfi n ASN 79 Ca 0.00 -1.70 -0.40 0.00 -0.03 0.00 0.00 54.58 52.45 1sfi n ASN 79 Cb 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 1sfi n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1sfi s GLU 80 N -0.70 4.46 -0.15 3.52 8.01 -1.25 -4.21 118.70 128.39 1sfi s GLU 80 Ca 0.00 1.85 -0.00 0.00 0.01 0.00 0.00 54.97 56.83 1sfi s GLU 80 Cb 0.00 -3.03 0.03 0.00 -4.31 0.00 0.00 34.13 26.82 1sfi s GLU 80 CO 0.00 0.04 -0.08 -0.65 0.01 0.00 0.00 175.26 174.58 1sfi s GLN 81 N -1.73 1.61 -0.31 1.61 -0.21 -0.70 -4.99 119.66 114.95 1sfi s GLN 81 Ca 0.48 -0.44 -0.11 0.00 0.02 0.00 0.00 55.36 55.32 1sfi s GLN 81 Cb -0.32 -1.88 -0.01 0.00 1.00 0.00 0.00 33.01 31.79 1sfi s GLN 81 CO 0.41 -0.34 0.18 -0.06 -2.12 0.00 0.00 175.29 173.36 1sfi s PHE 82 N 1.63 3.19 -0.06 0.91 0.08 -1.26 -0.78 117.98 121.68 1sfi s PHE 82 Ca 0.03 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 56.69 1sfi s PHE 82 Cb -0.14 -2.39 0.02 0.00 -0.57 0.00 0.00 43.02 39.94 1sfi s PHE 82 CO -0.08 -0.40 -0.09 0.42 -0.10 0.00 0.00 175.22 174.97 1sfi s ILE 83 N 1.66 0.93 0.49 0.64 1.01 -0.38 -4.98 121.20 120.56 1sfi s ILE 83 Ca 0.05 -0.34 -0.23 0.00 0.00 0.00 0.00 60.65 60.14 1sfi s ILE 83 Cb -0.17 -0.88 -0.06 0.00 0.01 0.00 0.00 42.46 41.35 1sfi s ILE 83 CO 0.08 0.31 1.24 -0.44 0.00 0.00 0.00 174.94 176.14 1sfi s SER 84 N 0.86 5.83 0.21 3.58 0.01 -1.26 -0.57 113.70 122.36 1sfi s SER 84 Ca -0.11 2.49 -0.30 0.00 1.31 0.00 0.00 55.95 59.34 1sfi s SER 84 Cb -0.15 -2.62 -0.08 0.00 0.21 0.00 0.00 66.02 63.38 1sfi s SER 84 CO 0.01 -1.17 1.16 0.00 0.41 0.00 0.00 173.24 173.66 1sfi s ALA 85 N -1.44 3.42 -0.14 1.44 0.00 -0.41 -1.24 121.76 123.38 1sfi s ALA 85 Ca 0.66 0.93 0.19 0.00 0.00 0.00 0.00 51.96 53.74 1sfi s ALA 85 Cb -0.33 -3.39 -0.27 0.00 0.00 0.00 0.00 23.12 19.13 1sfi s ALA 85 CO 0.40 -0.31 0.25 -1.13 0.00 0.00 0.00 175.76 174.97 1sfi n SER 86 N 2.12 0.06 -3.79 0.00 3.41 0.73 -4.74 113.62 111.42 1sfi n SER 86 Ca 0.03 0.03 -0.14 0.00 -0.26 0.00 0.00 58.87 58.52 1sfi n SER 86 Cb 0.45 1.23 -0.15 0.00 -0.26 0.00 0.00 64.21 65.48 1sfi n SER 86 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1sfi s LYS 87 N -2.82 0.00 -0.24 4.33 1.02 -1.18 -4.98 119.74 115.87 1sfi s LYS 87 Ca -0.09 0.19 -0.01 0.00 0.02 0.00 0.00 55.97 56.08 1sfi s LYS 87 Cb 0.09 -0.17 0.07 0.00 -0.52 0.00 0.00 37.83 37.29 1sfi s LYS 87 CO 0.85 -0.13 0.02 -1.12 -0.92 0.00 0.00 175.35 174.05 1sfi s SER 88 N 0.84 3.61 -0.34 2.83 0.01 -1.26 -0.68 113.70 118.72 1sfi s SER 88 Ca -0.07 -1.21 -0.03 0.00 1.31 0.00 0.00 55.95 55.95 1sfi s SER 88 Cb -0.10 -0.92 0.06 0.00 0.21 0.00 0.00 66.02 65.28 1sfi s SER 88 CO -0.03 -0.31 0.08 -0.63 0.41 0.00 0.00 173.24 172.76 1sfi s ILE 89 N 1.59 3.25 0.30 1.44 1.01 0.12 -4.97 121.20 123.94 1sfi s ILE 89 Ca 0.00 -1.49 -0.24 0.00 0.00 0.00 0.00 60.65 58.93 1sfi s ILE 89 Cb -0.18 -2.95 -0.09 0.00 0.01 0.00 0.00 42.46 39.24 1sfi s ILE 89 CO -0.12 -0.27 0.88 -0.69 0.00 0.00 0.00 174.94 174.74 1sfi s VAL 90 N 1.26 4.33 0.32 2.92 1.01 -1.26 -1.05 120.40 127.92 1sfi s VAL 90 Ca -0.01 1.64 -0.29 0.00 0.00 0.00 0.00 61.98 63.32 1sfi s VAL 90 Cb -0.20 -3.94 -0.12 0.00 0.00 0.00 0.00 36.38 32.12 1sfi s VAL 90 CO -0.01 0.13 1.50 1.57 0.00 0.00 0.00 175.10 178.29 1sfi n HIS 91 N 0.54 2.71 0.26 5.22 -0.00 -0.78 -4.86 115.22 118.31 1sfi n HIS 91 Ca 0.01 0.37 0.15 0.00 0.46 0.00 0.00 57.72 58.72 1sfi n HIS 91 Cb 0.51 -2.54 0.86 0.00 -0.12 0.00 0.00 29.99 28.70 1sfi n HIS 91 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1sfi h PRO 92 N 3.90 0.00 -0.54 1.57 0.11 -1.94 -1.77 132.00 133.33 1sfi h PRO 92 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1sfi h PRO 92 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1sfi h PRO 92 CO 0.72 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.94 1sfi n SER 93 N -3.89 4.56 -4.70 -2.05 7.64 -1.26 -4.98 113.62 108.94 1sfi n SER 93 Ca -0.01 -2.55 -0.43 0.00 1.01 0.00 0.00 58.87 56.88 1sfi n SER 93 Cb 0.17 -0.55 -0.03 0.00 -1.01 0.00 0.00 64.21 62.79 1sfi n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sfi n TYR 94 N 0.73 2.62 -3.79 1.43 9.36 -0.67 -4.67 117.16 122.17 1sfi n TYR 94 Ca 0.24 -0.02 -0.37 0.00 3.32 0.00 0.00 57.90 61.07 1sfi n TYR 94 Cb 0.88 -2.69 -0.13 0.00 -0.63 0.00 0.00 39.34 36.78 1sfi n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1sfi s ASN 95 N 1.99 5.01 0.00 2.98 3.84 -0.83 -5.00 114.94 122.93 1sfi s ASN 95 Ca 0.79 -0.70 0.20 0.00 0.21 0.00 0.00 52.86 53.36 1sfi s ASN 95 Cb -0.52 -1.85 0.85 0.00 -0.55 0.00 0.00 41.25 39.18 1sfi s ASN 95 CO 0.36 -0.17 1.63 -1.54 -2.79 0.00 0.00 177.10 174.58 1sfi n SER 96 N 4.84 0.00 -0.09 -4.21 3.41 -1.26 -0.54 113.62 115.77 1sfi n SER 96 Ca -0.15 0.45 -0.22 0.00 -0.26 0.00 0.00 58.87 58.69 1sfi n SER 96 Cb 0.48 -0.48 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 1sfi n SER 96 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1sfi n ASN 97 N -1.48 2.00 0.11 4.04 3.02 -1.26 -4.46 115.26 117.23 1sfi n ASN 97 Ca 0.05 0.13 0.12 0.00 -0.03 0.00 0.00 54.58 54.85 1sfi n ASN 97 Cb 0.22 -0.69 0.15 0.00 -0.61 0.00 0.00 39.78 38.84 1sfi n ASN 97 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1sfi h THR 98 N -0.33 0.00 -0.39 3.41 1.35 -2.00 -3.47 112.91 111.47 1sfi h THR 98 Ca -0.54 -0.75 -0.17 0.00 -0.55 0.00 0.00 66.41 64.40 1sfi h THR 98 Cb 1.79 1.44 -0.07 0.00 -1.73 0.00 0.00 68.15 69.59 1sfi h THR 98 CO -0.13 0.00 -0.15 0.18 -0.25 0.00 0.00 175.52 175.16 1sfi n LEU 99 N -2.51 -0.44 -4.76 3.87 4.77 0.30 -5.01 117.00 113.22 1sfi n LEU 99 Ca 0.03 0.20 -0.40 0.00 -0.03 0.00 0.00 56.01 55.80 1sfi n LEU 99 Cb 0.49 -1.73 -0.03 0.00 -2.33 0.00 0.00 43.42 39.82 1sfi n LEU 99 CO 0.36 -0.58 0.89 0.21 -1.33 0.00 0.00 177.39 176.94 1sfi s ASN 100 N -2.63 7.02 -0.95 -1.43 2.47 -1.24 -3.15 114.94 115.04 1sfi s ASN 100 Ca 0.00 2.48 -0.05 0.00 0.42 0.00 0.00 52.86 55.70 1sfi s ASN 100 Cb 0.00 -2.64 0.01 0.00 -1.45 0.00 0.00 41.25 37.17 1sfi s ASN 100 CO 0.00 -0.34 0.82 0.59 -3.72 0.00 0.00 177.10 174.45 1sfi n ASN 101 N 1.03 -4.57 -4.26 -4.21 3.02 -1.26 -1.96 115.26 103.05 1sfi n ASN 101 Ca -0.00 -0.39 -0.42 0.00 -0.03 0.00 0.00 54.58 53.73 1sfi n ASN 101 Cb 0.43 -3.74 -0.00 0.00 -0.61 0.00 0.00 39.78 35.86 1sfi n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1sfi n ASP 102 N -1.86 4.47 -3.79 6.41 2.03 -1.19 -4.27 116.55 118.35 1sfi n ASP 102 Ca -0.03 -2.88 -0.13 0.00 0.52 0.00 0.00 54.79 52.27 1sfi n ASP 102 Cb 0.56 -1.71 -0.12 0.00 -0.72 0.00 0.00 41.12 39.13 1sfi n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1sfi s ILE 103 N 4.06 0.00 0.01 5.18 2.07 -1.26 -3.80 121.20 127.46 1sfi s ILE 103 Ca 0.52 -0.02 0.02 0.00 -1.41 0.00 0.00 60.65 59.76 1sfi s ILE 103 Cb 0.08 -0.36 -0.01 0.00 0.13 0.00 0.00 42.46 42.30 1sfi s ILE 103 CO 0.02 -0.01 -0.06 -0.32 -1.91 0.00 0.00 174.94 172.66 1sfi s MET 104 N 0.08 0.43 -0.11 3.50 -2.45 -0.33 -1.87 119.30 118.55 1sfi s MET 104 Ca -0.00 -0.39 -0.00 0.00 -1.25 0.00 0.00 55.69 54.04 1sfi s MET 104 Cb -0.02 -0.33 -0.02 0.00 1.25 0.00 0.00 34.83 35.71 1sfi s MET 104 CO 0.00 0.08 -0.09 -0.51 1.05 0.00 0.00 175.02 175.55 1sfi s LEU 105 N -0.67 2.96 -0.15 4.11 1.02 -0.22 -1.28 118.68 124.44 1sfi s LEU 105 Ca -0.03 -0.19 0.00 0.00 0.02 0.00 0.00 54.13 53.93 1sfi s LEU 105 Cb -0.05 -1.67 -0.00 0.00 0.02 0.00 0.00 46.19 44.49 1sfi s LEU 105 CO -0.00 0.23 -0.15 -0.63 0.02 0.00 0.00 176.35 175.82 1sfi s ILE 106 N -0.01 2.67 -0.11 -0.59 1.01 0.21 0.14 121.20 124.52 1sfi s ILE 106 Ca -0.02 -0.77 -0.15 0.00 0.00 0.00 0.00 60.65 59.71 1sfi s ILE 106 Cb -0.14 -2.13 -0.05 0.00 0.01 0.00 0.00 42.46 40.16 1sfi s ILE 106 CO 0.03 0.51 0.37 -0.75 0.00 0.00 0.00 174.94 175.11 1sfi s LYS 107 N 0.81 4.18 0.29 2.79 2.20 0.15 -0.66 119.74 129.50 1sfi s LYS 107 Ca -0.05 0.26 -0.28 0.00 -0.36 0.00 0.00 55.97 55.54 1sfi s LYS 107 Cb -0.15 -3.38 -0.09 0.00 -1.51 0.00 0.00 37.83 32.69 1sfi s LYS 107 CO 0.00 0.33 0.96 -0.51 -0.36 0.00 0.00 175.35 175.77 1sfi s LEU 108 N 0.15 4.46 0.42 5.43 1.43 0.07 -0.20 118.68 130.43 1sfi s LEU 108 Ca 0.21 1.92 0.08 0.00 -1.03 0.00 0.00 54.13 55.30 1sfi s LEU 108 Cb -0.14 -3.85 0.88 0.00 0.03 0.00 0.00 46.19 43.11 1sfi s LEU 108 CO 0.08 -0.01 2.06 0.50 0.23 0.00 0.00 176.35 179.20 1sfi h LYS 109 N 3.53 0.49 -4.59 1.70 3.64 -1.46 -3.43 116.57 116.46 1sfi h LYS 109 Ca -0.46 -0.03 -0.22 0.00 -1.27 0.00 0.00 60.65 58.67 1sfi h LYS 109 Cb 1.20 -0.11 -0.16 0.00 -0.41 0.00 0.00 32.23 32.75 1sfi h LYS 109 CO 0.66 0.34 -0.70 -1.54 -2.27 0.00 0.00 179.45 175.94 1sfi s SER 110 N -6.72 1.03 0.37 4.20 1.04 -1.26 -5.00 113.70 107.35 1sfi s SER 110 Ca -0.08 -0.93 -0.26 0.00 0.48 0.00 0.00 55.95 55.16 1sfi s SER 110 Cb 0.17 0.10 -0.09 0.00 0.10 0.00 0.00 66.02 66.30 1sfi s SER 110 CO 0.73 -0.44 1.11 0.00 0.98 0.00 0.00 173.24 175.62 1sfi s ALA 111 N -3.30 3.20 0.61 5.32 0.00 -1.26 -4.89 121.76 121.44 1sfi s ALA 111 Ca 0.08 0.86 -0.16 0.00 0.00 0.00 0.00 51.96 52.74 1sfi s ALA 111 Cb 0.03 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 1sfi s ALA 111 CO -0.04 -0.32 1.08 0.00 0.00 0.00 0.00 175.76 176.47 1sfi s ALA 112 N -1.43 2.66 -0.32 0.00 0.00 0.13 -5.01 121.76 117.79 1sfi s ALA 112 Ca 0.54 0.45 -0.18 0.00 0.00 0.00 0.00 51.96 52.76 1sfi s ALA 112 Cb -0.28 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 1sfi s ALA 112 CO 0.35 -0.95 0.52 -1.12 0.00 0.00 0.00 175.76 174.56 1sfi s SER 113 N -2.71 6.36 0.03 0.00 0.01 -1.26 -4.85 113.70 111.27 1sfi s SER 113 Ca 0.65 0.15 -0.10 0.00 1.31 0.00 0.00 55.95 57.96 1sfi s SER 113 Cb -0.18 -2.28 -0.05 0.00 0.21 0.00 0.00 66.02 63.73 1sfi s SER 113 CO 0.38 -0.43 0.35 -0.76 0.41 0.00 0.00 173.24 173.20 1sfi s LEU 114 N 2.39 4.39 0.00 2.44 1.02 -1.26 -4.79 118.68 122.87 1sfi s LEU 114 Ca 0.20 0.76 0.00 0.00 0.02 0.00 0.00 54.13 55.11 1sfi s LEU 114 Cb -0.15 -2.74 0.00 0.00 0.02 0.00 0.00 46.19 43.31 1sfi s LEU 114 CO 0.12 0.25 0.00 -0.46 0.02 0.00 0.00 176.35 176.28 1sfi n ASN 115 N 1.27 0.00 0.13 2.29 0.23 -0.37 -5.00 115.26 113.81 1sfi n ASN 115 Ca -0.11 0.00 -0.02 0.00 -0.53 0.00 0.00 54.58 53.92 1sfi n ASN 115 Cb 0.53 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.39 1sfi n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1sfi h SER 116 N 0.00 0.02 0.78 0.53 4.64 -2.00 -3.27 113.55 114.25 1sfi h SER 116 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1sfi h SER 116 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1sfi h SER 116 CO 0.00 0.64 -1.09 0.54 -0.87 0.00 0.00 176.83 176.05 1sfi n ARG 117 N -3.80 0.53 -3.88 4.77 1.74 -1.26 -4.70 116.66 110.06 1sfi n ARG 117 Ca -0.01 0.06 -0.29 0.00 -0.77 0.00 0.00 57.85 56.84 1sfi n ARG 117 Cb 0.62 -1.74 -0.16 0.00 -1.02 0.00 0.00 32.46 30.16 1sfi n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1sfi s VAL 118 N -3.34 1.14 0.06 1.55 1.01 -1.23 -4.59 120.40 115.01 1sfi s VAL 118 Ca -0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 61.98 61.05 1sfi s VAL 118 Cb 0.11 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 35.12 1sfi s VAL 118 CO 0.80 0.01 0.32 0.00 0.00 0.00 0.00 175.10 176.23 1sfi s ALA 119 N 1.60 -0.70 0.47 5.51 0.00 -0.98 -1.24 121.76 126.42 1sfi s ALA 119 Ca -0.01 -0.06 -0.08 0.00 0.00 0.00 0.00 51.96 51.81 1sfi s ALA 119 Cb -0.17 0.41 -0.05 0.00 0.00 0.00 0.00 23.12 23.32 1sfi s ALA 119 CO -0.07 -0.47 0.80 -1.54 0.00 0.00 0.00 175.76 174.48 1sfi s SER 120 N -2.30 6.35 -0.08 0.00 1.04 -1.26 -3.01 113.70 114.45 1sfi s SER 120 Ca -0.02 1.05 0.00 0.00 0.48 0.00 0.00 55.95 57.46 1sfi s SER 120 Cb 0.00 -2.30 -0.03 0.00 0.10 0.00 0.00 66.02 63.80 1sfi s SER 120 CO -0.06 -0.54 -0.07 -0.51 0.98 0.00 0.00 173.24 173.05 1sfi s ILE 121 N -2.65 3.70 0.55 -1.02 1.10 -0.43 -4.88 121.20 117.57 1sfi s ILE 121 Ca 0.49 -0.47 -0.19 0.00 -0.51 0.00 0.00 60.65 59.98 1sfi s ILE 121 Cb -0.10 -2.53 -0.06 0.00 0.15 0.00 0.00 42.46 39.92 1sfi s ILE 121 CO 0.41 0.58 1.10 -0.44 -2.11 0.00 0.00 174.94 174.48 1sfi s SER 122 N -0.60 5.79 0.39 4.50 0.01 -1.26 -4.64 113.70 117.89 1sfi s SER 122 Ca 0.09 2.07 -0.15 0.00 1.31 0.00 0.00 55.95 59.27 1sfi s SER 122 Cb -0.12 -2.57 -0.09 0.00 0.21 0.00 0.00 66.02 63.46 1sfi s SER 122 CO 0.02 -1.17 0.82 -0.76 0.41 0.00 0.00 173.24 172.56 1sfi s LEU 123 N -3.91 3.92 0.75 2.44 1.43 -1.26 -0.92 118.68 121.13 1sfi s LEU 123 Ca 0.70 1.37 -0.14 0.00 -1.03 0.00 0.00 54.13 55.03 1sfi s LEU 123 Cb -0.21 -4.22 0.05 0.00 0.03 0.00 0.00 46.19 41.84 1sfi s LEU 123 CO 0.28 -0.34 1.19 -2.84 0.23 0.00 0.00 176.35 174.87 1sfi s PRO 124 N -3.39 2.07 -0.00 1.29 0.02 -1.26 -4.77 135.00 128.96 1sfi s PRO 124 Ca 0.56 1.69 0.11 0.00 0.02 0.00 0.00 61.00 63.38 1sfi s PRO 124 Cb -0.10 -1.83 -0.14 0.00 0.02 0.00 0.00 34.50 32.45 1sfi s PRO 124 CO 0.22 -1.87 0.44 0.25 -0.33 0.00 0.00 177.00 175.71 1sfi n THR 125 N -2.89 0.00 -3.55 0.99 -2.24 -1.26 -4.98 114.28 100.36 1sfi n THR 125 Ca 0.13 -0.24 -0.11 0.00 -2.27 0.00 0.00 64.05 61.57 1sfi n THR 125 Cb 0.51 0.85 -0.02 0.00 -2.10 0.00 0.00 70.33 69.56 1sfi n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1sfi s SER 127 N -2.34 -0.47 0.65 3.42 1.04 -1.26 -5.17 113.70 109.58 1sfi s SER 127 Ca 0.03 -0.18 -0.13 0.00 0.48 0.00 0.00 55.95 56.14 1sfi s SER 127 Cb 0.08 0.63 -0.01 0.00 0.10 0.00 0.00 66.02 66.83 1sfi s SER 127 CO 0.48 -1.07 1.07 0.00 0.98 0.00 0.00 173.24 174.69 1sfi s ALA 129 N -2.69 3.51 0.19 0.00 0.00 -1.26 -5.10 121.76 116.40 1sfi s ALA 129 Ca 0.62 -1.01 0.07 0.00 0.00 0.00 0.00 51.96 51.64 1sfi s ALA 129 Cb -0.16 -2.37 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 1sfi s ALA 129 CO 0.46 -0.87 0.01 -1.12 0.00 0.00 0.00 175.76 174.24 1sfi s SER 130 N -4.39 4.81 0.28 0.00 0.01 -1.26 -5.08 113.70 108.07 1sfi s SER 130 Ca 0.56 -0.41 -0.30 0.00 1.31 0.00 0.00 55.95 57.11 1sfi s SER 130 Cb -0.10 -1.03 -0.12 0.00 0.21 0.00 0.00 66.02 64.97 1sfi s SER 130 CO 0.42 0.07 1.48 0.00 0.41 0.00 0.00 173.24 175.62 1sfi n ALA 132 N -0.28 1.82 0.00 1.44 0.00 -1.26 -2.15 120.51 120.08 1sfi n ALA 132 Ca -0.09 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1sfi n ALA 132 Cb 0.56 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.64 1sfi n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sfi n GLY 133 N 1.97 0.79 3.75 0.00 0.00 0.48 -4.97 105.19 107.21 1sfi n GLY 133 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1sfi n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sfi s THR 134 N -2.25 3.23 0.11 2.61 2.01 -0.91 -4.69 115.64 115.76 1sfi s THR 134 Ca 0.00 1.13 -0.27 0.00 0.31 0.00 0.00 61.69 62.87 1sfi s THR 134 Cb 0.00 -3.72 -0.07 0.00 0.01 0.00 0.00 72.50 68.72 1sfi s THR 134 CO 0.00 0.23 0.83 -1.58 -0.69 0.00 0.00 174.62 173.41 1sfi s GLN 135 N -0.96 4.60 0.25 4.92 2.00 -1.26 -1.56 119.66 127.65 1sfi s GLN 135 Ca 0.50 1.22 0.05 0.00 -2.00 0.00 0.00 55.36 55.13 1sfi s GLN 135 Cb -0.35 -3.33 -0.05 0.00 0.80 0.00 0.00 33.01 30.08 1sfi s GLN 135 CO 0.43 0.38 -0.03 0.00 -0.50 0.00 0.00 175.29 175.56 1sfi s LEU 137 N -3.35 2.87 -0.06 0.00 2.96 0.38 -1.05 118.68 120.42 1sfi s LEU 137 Ca 0.28 -0.37 0.03 0.00 -0.22 0.00 0.00 54.13 53.85 1sfi s LEU 137 Cb 0.05 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 1sfi s LEU 137 CO 0.09 0.02 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.40 1sfi s ILE 138 N 1.23 3.30 0.12 6.68 1.01 -0.29 -1.37 121.20 131.89 1sfi s ILE 138 Ca 0.03 -0.63 -0.10 0.00 0.00 0.00 0.00 60.65 59.95 1sfi s ILE 138 Cb -0.14 -2.32 -0.00 0.00 0.01 0.00 0.00 42.46 40.01 1sfi s ILE 138 CO -0.02 0.59 0.25 -0.94 0.00 0.00 0.00 174.94 174.83 1sfi s SER 139 N -0.75 0.05 0.00 3.58 1.04 -1.20 -0.79 113.70 115.63 1sfi s SER 139 Ca 0.12 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.85 1sfi s SER 139 Cb -0.11 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1sfi s SER 139 CO 0.01 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.03 1sfi n GLY 140 N -0.14 0.16 1.54 7.32 0.00 -0.77 -4.43 105.19 108.87 1sfi n GLY 140 Ca -0.12 -1.16 -0.07 0.00 0.00 0.00 0.00 46.02 44.67 1sfi n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1sfi n TRP 141 N -0.76 1.81 -1.61 1.61 8.01 -1.26 -2.17 117.44 123.06 1sfi n TRP 141 Ca 0.00 -1.45 -0.29 0.00 -1.31 0.00 0.00 57.50 54.45 1sfi n TRP 141 Cb 0.00 -0.61 0.18 0.00 -2.01 0.00 0.00 31.31 28.87 1sfi n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1sfi s GLY 142 N -1.83 1.66 0.22 6.99 0.00 -1.25 -4.37 107.32 108.73 1sfi s GLY 142 Ca 0.49 -0.90 -0.30 0.00 0.00 0.00 0.00 44.72 44.01 1sfi s GLY 142 CO 0.07 -0.19 0.95 -2.01 0.00 0.00 0.00 173.10 171.92 1sfi n ASN 143 N -3.96 0.67 -0.96 1.64 5.15 0.83 -2.75 115.26 115.87 1sfi n ASN 143 Ca 0.12 1.16 0.09 0.00 -0.60 0.00 0.00 54.58 55.35 1sfi n ASN 143 Cb 0.60 -1.17 0.19 0.00 -0.53 0.00 0.00 39.78 38.87 1sfi n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1sfi n THR 144 N 0.65 0.64 -4.78 -0.44 -2.24 -0.50 -1.00 114.28 106.61 1sfi n THR 144 Ca 0.14 -0.82 -0.32 0.00 -2.27 0.00 0.00 64.05 60.78 1sfi n THR 144 Cb 0.27 0.83 -0.13 0.00 -2.10 0.00 0.00 70.33 69.19 1sfi n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1sfi s LYS 145 N -1.21 2.29 0.05 -0.78 1.02 -1.26 -4.44 119.74 115.41 1sfi s LYS 145 Ca 0.33 -0.84 0.26 0.00 0.02 0.00 0.00 55.97 55.74 1sfi s LYS 145 Cb 0.19 -2.28 0.67 0.00 -0.52 0.00 0.00 37.83 35.89 1sfi s LYS 145 CO 0.26 0.58 1.55 -1.13 -0.92 0.00 0.00 175.35 175.69 1sfi n SER 146 N 1.91 0.46 -3.68 2.83 3.41 -1.26 -4.68 113.62 112.61 1sfi n SER 146 Ca -0.16 0.11 -0.19 0.00 -0.26 0.00 0.00 58.87 58.37 1sfi n SER 146 Cb 0.52 -0.06 -0.17 0.00 -0.26 0.00 0.00 64.21 64.24 1sfi n SER 146 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1sfi s SER 147 N -3.47 0.92 0.00 4.04 0.15 -1.26 -4.72 113.70 109.36 1sfi s SER 147 Ca 0.10 0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.88 1sfi s SER 147 Cb 0.16 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 1sfi s SER 147 CO 0.65 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.47 1sfi n GLY 148 N 5.15 -1.90 2.89 9.45 0.00 -1.26 -4.99 105.19 114.54 1sfi n GLY 148 Ca -0.07 -1.71 -0.15 0.00 0.00 0.00 0.00 46.02 44.10 1sfi n GLY 148 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sfi s THR 149 N 0.00 0.20 -0.23 2.61 -4.23 -1.26 -4.71 115.64 108.03 1sfi s THR 149 Ca 0.00 -0.07 -0.06 0.00 -1.18 0.00 0.00 61.69 60.38 1sfi s THR 149 Cb 0.00 -0.20 0.11 0.00 1.34 0.00 0.00 72.50 73.75 1sfi s THR 149 CO 0.00 0.08 0.45 -0.55 -0.54 0.00 0.00 174.62 174.06 1sfi s SER 150 N 0.17 -0.32 -0.20 3.99 0.15 -1.26 -4.98 113.70 111.25 1sfi s SER 150 Ca -0.01 0.85 -0.09 0.00 0.70 0.00 0.00 55.95 57.40 1sfi s SER 150 Cb -0.04 1.46 -0.04 0.00 -1.71 0.00 0.00 66.02 65.69 1sfi s SER 150 CO -0.00 -0.25 0.10 -0.31 1.20 0.00 0.00 173.24 173.97 1sfi s TYR 151 N 2.65 3.29 0.58 3.44 2.02 -1.26 -1.40 117.35 126.66 1sfi s TYR 151 Ca 0.03 0.14 -0.15 0.00 -0.37 0.00 0.00 57.07 56.72 1sfi s TYR 151 Cb -0.13 -2.14 -0.05 0.00 -0.40 0.00 0.00 41.96 39.24 1sfi s TYR 151 CO -0.15 0.15 1.03 -1.25 -1.57 0.00 0.00 175.55 173.76 1sfi s PRO 152 N 0.55 3.55 -0.07 -1.71 0.04 -1.26 -5.01 135.00 131.09 1sfi s PRO 152 Ca 0.05 1.04 -0.12 0.00 0.04 0.00 0.00 61.00 62.02 1sfi s PRO 152 Cb -0.12 -2.07 -0.30 0.00 0.04 0.00 0.00 34.50 32.05 1sfi s PRO 152 CO 0.00 -0.61 0.62 -0.44 0.04 0.00 0.00 177.00 176.61 1sfi h ASP 153 N 0.44 0.55 -2.10 6.66 3.32 -1.94 -3.46 116.42 119.88 1sfi h ASP 153 Ca -0.46 -0.92 -0.47 0.00 0.02 0.00 0.00 57.03 55.20 1sfi h ASP 153 Cb 1.20 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 1sfi h ASP 153 CO 0.59 1.76 -0.44 0.68 -1.72 0.00 0.00 179.24 180.12 1sfi s VAL 154 N -2.55 4.79 0.25 -1.35 -7.23 -1.26 -0.97 120.40 112.07 1sfi s VAL 154 Ca -0.17 -1.10 -0.30 0.00 -1.81 0.00 0.00 61.98 58.60 1sfi s VAL 154 Cb 0.05 -3.65 -0.10 0.00 0.56 0.00 0.00 36.38 33.25 1sfi s VAL 154 CO 0.83 -0.30 1.33 -0.22 -0.31 0.00 0.00 175.10 176.43 1sfi s LEU 155 N -3.98 4.42 0.06 1.32 2.96 -1.22 -4.86 118.68 117.38 1sfi s LEU 155 Ca 0.36 2.53 0.05 0.00 -0.22 0.00 0.00 54.13 56.86 1sfi s LEU 155 Cb -0.09 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1sfi s LEU 155 CO 0.28 -0.55 -0.08 -0.54 -1.32 0.00 0.00 176.35 174.15 1sfi s LYS 156 N -0.71 2.33 0.21 1.98 -0.14 -0.92 -1.90 119.74 120.58 1sfi s LYS 156 Ca 0.54 -0.88 0.09 0.00 -1.36 0.00 0.00 55.97 54.36 1sfi s LYS 156 Cb -0.38 -2.40 -0.05 0.00 -1.68 0.00 0.00 37.83 33.32 1sfi s LYS 156 CO 0.44 0.55 -0.17 0.00 -0.76 0.00 0.00 175.35 175.40 1sfi s LEU 158 N -3.10 -0.03 -0.13 0.00 2.96 0.03 -0.98 118.68 117.43 1sfi s LEU 158 Ca 0.22 0.88 -0.18 0.00 -0.22 0.00 0.00 54.13 54.83 1sfi s LEU 158 Cb -0.04 1.34 -0.04 0.00 0.50 0.00 0.00 46.19 47.95 1sfi s LEU 158 CO 0.09 -0.19 0.46 -0.54 -1.32 0.00 0.00 176.35 174.85 1sfi s LYS 159 N 1.29 4.33 -0.11 1.98 3.01 -1.26 -1.14 119.74 127.83 1sfi s LYS 159 Ca -0.09 0.41 -0.11 0.00 -1.01 0.00 0.00 55.97 55.18 1sfi s LYS 159 Cb -0.08 -3.44 0.03 0.00 -1.01 0.00 0.00 37.83 33.33 1sfi s LYS 159 CO -0.11 0.16 0.30 0.00 0.51 0.00 0.00 175.35 176.20 1sfi s ALA 160 N 0.64 -0.75 0.42 5.17 0.00 -0.22 -4.95 121.76 122.09 1sfi s ALA 160 Ca 0.25 0.84 -0.07 0.00 0.00 0.00 0.00 51.96 52.98 1sfi s ALA 160 Cb -0.15 -0.49 -0.05 0.00 0.00 0.00 0.00 23.12 22.44 1sfi s ALA 160 CO 0.10 -0.14 0.74 -1.25 0.00 0.00 0.00 175.76 175.21 1sfi s PRO 161 N 0.14 3.64 0.04 0.00 0.04 -1.26 -0.77 135.00 136.82 1sfi s PRO 161 Ca -0.00 0.26 -0.30 0.00 0.04 0.00 0.00 61.00 60.99 1sfi s PRO 161 Cb -0.02 -2.42 -0.05 0.00 0.04 0.00 0.00 34.50 32.04 1sfi s PRO 161 CO 0.00 -0.08 1.18 0.42 0.04 0.00 0.00 177.00 178.56 1sfi s ILE 162 N -2.51 4.15 0.40 0.56 1.01 -0.60 -1.08 121.20 123.13 1sfi s ILE 162 Ca 0.48 1.54 -0.01 0.00 0.00 0.00 0.00 60.65 62.66 1sfi s ILE 162 Cb -0.10 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.35 1sfi s ILE 162 CO 0.38 0.11 0.63 -0.76 0.00 0.00 0.00 174.94 175.29 1sfi s LEU 163 N 1.19 3.85 0.64 2.97 1.43 -0.37 -0.39 118.68 128.00 1sfi s LEU 163 Ca 0.58 0.54 -0.17 0.00 -1.03 0.00 0.00 54.13 54.05 1sfi s LEU 163 Cb -0.28 -3.42 -0.01 0.00 0.03 0.00 0.00 46.19 42.51 1sfi s LEU 163 CO 0.28 -0.44 1.15 -0.94 0.23 0.00 0.00 176.35 176.63 1sfi s SER 164 N -4.09 5.07 0.42 2.29 1.04 -1.26 -4.68 113.70 112.50 1sfi s SER 164 Ca 0.43 2.19 0.11 0.00 0.48 0.00 0.00 55.95 59.16 1sfi s SER 164 Cb -0.10 -2.57 0.91 0.00 0.10 0.00 0.00 66.02 64.36 1sfi s SER 164 CO 0.39 -1.66 1.98 0.44 0.98 0.00 0.00 173.24 175.37 1sfi h ASP 165 N 0.39 0.16 -0.40 7.02 5.19 -1.97 -2.03 116.42 124.78 1sfi h ASP 165 Ca -0.48 -0.02 -0.12 0.00 -0.62 0.00 0.00 57.03 55.78 1sfi h ASP 165 Cb 1.27 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.72 1sfi h ASP 165 CO 0.54 0.27 -0.21 0.77 -3.12 0.00 0.00 179.24 177.50 1sfi h SER 166 N 0.17 0.91 -0.70 6.45 4.64 -1.99 -0.14 113.55 122.89 1sfi h SER 166 Ca 0.04 -0.33 -0.07 0.00 -0.47 0.00 0.00 61.79 60.95 1sfi h SER 166 Cb 0.26 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.08 1sfi h SER 166 CO 0.01 1.09 0.15 -1.28 -0.87 0.00 0.00 176.83 175.93 1sfi h SER 167 N 0.78 1.08 -0.50 4.97 0.87 -1.82 -0.77 113.55 118.16 1sfi h SER 167 Ca 0.11 -0.24 -0.03 0.00 -1.23 0.00 0.00 61.79 60.40 1sfi h SER 167 Cb 0.75 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 1sfi h SER 167 CO 0.06 1.04 0.20 0.00 -0.53 0.00 0.00 176.83 177.61 1sfi h LYS 169 N 0.66 0.25 -0.09 0.00 1.57 -0.88 -1.56 116.57 116.53 1sfi h LYS 169 Ca 0.17 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1sfi h LYS 169 Cb 0.19 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1sfi h LYS 169 CO -0.01 0.72 -0.28 0.77 -0.57 0.00 0.00 179.45 180.07 1sfi h SER 170 N 0.20 0.15 0.05 0.86 0.02 -0.92 -2.32 113.55 111.59 1sfi h SER 170 Ca 0.00 -0.05 -0.21 0.00 -0.84 0.00 0.00 61.79 60.70 1sfi h SER 170 Cb 0.99 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1sfi h SER 170 CO 0.08 0.44 -0.79 0.00 -1.14 0.00 0.00 176.83 175.42 1sfi h ALA 171 N 1.57 0.41 -2.26 3.77 0.00 -0.73 -3.38 119.26 118.64 1sfi h ALA 171 Ca 0.02 -0.62 -0.58 0.00 0.00 0.00 0.00 54.91 53.73 1sfi h ALA 171 Cb 0.58 -0.03 -0.40 0.00 0.00 0.00 0.00 17.79 17.94 1sfi h ALA 171 CO 0.04 0.72 -0.86 0.66 0.00 0.00 0.00 179.25 179.81 1sfi n TYR 172 N -3.88 1.22 -1.69 0.00 4.01 -0.64 -4.94 117.16 111.24 1sfi n TYR 172 Ca -0.06 -3.79 -0.44 0.00 -0.16 0.00 0.00 57.90 53.44 1sfi n TYR 172 Cb 0.75 -0.34 -0.04 0.00 -0.31 0.00 0.00 39.34 39.40 1sfi n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1sfi n PRO 173 N 1.55 2.45 -0.97 -0.72 -0.02 -0.89 -2.02 135.00 134.37 1sfi n PRO 173 Ca 0.25 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.62 1sfi n PRO 173 Cb 0.46 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 1sfi n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sfi n GLY 174 N 3.78 0.75 0.03 -1.23 0.00 -1.26 -4.87 105.19 102.39 1sfi n GLY 174 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.21 1sfi n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sfi n GLN 175 N -2.25 4.62 -3.27 1.61 6.02 -0.86 -4.98 117.38 118.27 1sfi n GLN 175 Ca 0.00 -0.14 -0.41 0.00 -0.01 0.00 0.00 57.00 56.44 1sfi n GLN 175 Cb 0.02 -0.75 -0.08 0.00 1.02 0.00 0.00 30.24 30.44 1sfi n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1sfi s ILE 176 N -1.16 5.04 0.68 5.09 -1.09 -1.25 -5.03 121.20 123.48 1sfi s ILE 176 Ca 0.02 0.22 0.00 0.00 -2.23 0.00 0.00 60.65 58.66 1sfi s ILE 176 Cb 0.03 -3.95 0.11 0.00 -1.58 0.00 0.00 42.46 37.06 1sfi s ILE 176 CO 0.13 -0.22 0.94 0.42 -1.23 0.00 0.00 174.94 174.98 1sfi s THR 177 N 2.31 2.23 -0.96 2.92 -4.23 -1.26 -4.97 115.64 111.68 1sfi s THR 177 Ca 0.17 -0.64 0.17 0.00 -1.18 0.00 0.00 61.69 60.21 1sfi s THR 177 Cb -0.16 -2.59 0.15 0.00 1.34 0.00 0.00 72.50 71.24 1sfi s THR 177 CO 0.13 0.00 1.56 -1.54 -0.54 0.00 0.00 174.62 174.23 1sfi n SER 178 N -2.70 0.06 -1.89 3.99 3.41 -1.26 -2.16 113.62 113.07 1sfi n SER 178 Ca 0.14 0.51 0.07 0.00 -0.26 0.00 0.00 58.87 59.33 1sfi n SER 178 Cb 0.60 -0.52 0.41 0.00 -0.26 0.00 0.00 64.21 64.44 1sfi n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1sfi n ASN 179 N -1.56 5.72 -4.11 4.04 3.02 -1.26 -4.92 115.26 116.19 1sfi n ASN 179 Ca 0.04 -2.91 -0.14 0.00 -0.03 0.00 0.00 54.58 51.54 1sfi n ASN 179 Cb 0.20 -0.68 -0.11 0.00 -0.61 0.00 0.00 39.78 38.58 1sfi n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1sfi s MET 180 N -2.72 0.66 0.06 3.52 -1.94 -0.92 -1.00 119.30 116.96 1sfi s MET 180 Ca 0.55 -0.89 -0.03 0.00 -1.71 0.00 0.00 55.69 53.61 1sfi s MET 180 Cb 0.41 -0.46 -0.03 0.00 2.01 0.00 0.00 34.83 36.76 1sfi s MET 180 CO 0.17 0.09 0.02 -0.59 -0.01 0.00 0.00 175.02 174.69 1sfi s PHE 181 N -1.61 0.42 -0.03 -0.03 -0.71 -0.55 -4.78 117.98 110.69 1sfi s PHE 181 Ca -0.05 -0.92 -0.03 0.00 -1.04 0.00 0.00 56.93 54.89 1sfi s PHE 181 Cb -0.08 -0.30 -0.04 0.00 -1.21 0.00 0.00 43.02 41.38 1sfi s PHE 181 CO 0.01 -0.40 0.17 0.00 -1.34 0.00 0.00 175.22 173.65 1sfi s ALA 183 N -1.27 -0.28 0.00 0.00 0.00 -0.85 -1.23 121.76 118.13 1sfi s ALA 183 Ca 0.25 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.97 1sfi s ALA 183 Cb -0.12 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.16 1sfi s ALA 183 CO 0.16 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1sfi n GLY 184 N 1.21 0.19 3.29 0.00 0.00 -0.24 -2.77 105.19 106.86 1sfi n GLY 184 Ca -0.22 -1.94 -0.20 0.00 0.00 0.00 0.00 46.02 43.67 1sfi n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sfi s TYR 184 N -0.27 1.60 -0.54 1.61 1.51 -1.26 -4.35 117.35 115.65 1sfi s TYR 184 Ca 0.00 -0.53 0.14 0.00 -1.01 0.00 0.00 57.07 55.67 1sfi s TYR 184 Cb 0.00 -0.81 -0.16 0.00 -0.11 0.00 0.00 41.96 40.88 1sfi s TYR 184 CO 0.00 0.24 0.53 1.28 -1.11 0.00 0.00 175.55 176.49 1sfi n LEU 185 N 0.35 0.54 -0.00 -1.29 4.77 -1.26 -4.15 117.00 115.95 1sfi n LEU 185 Ca -0.14 -0.42 0.14 0.00 -0.03 0.00 0.00 56.01 55.56 1sfi n LEU 185 Cb 0.57 0.00 0.55 0.00 -2.33 0.00 0.00 43.42 42.21 1sfi n LEU 185 CO 0.29 0.13 0.86 -1.84 -1.33 0.00 0.00 177.39 175.50 1sfi n GLU 186 N -1.43 0.03 0.00 3.23 0.00 -1.26 -0.41 120.64 120.80 1sfi n GLU 186 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 57.16 57.17 1sfi n GLU 186 Cb 0.24 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.18 1sfi n GLU 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1sfi n GLY 187 N 1.49 -0.42 0.29 -1.84 0.00 -1.26 -4.65 105.19 98.80 1sfi n GLY 187 Ca 0.07 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1sfi n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sfi n GLY 188 N -0.25 2.72 2.74 -0.02 0.00 -0.23 -4.96 105.19 105.18 1sfi n GLY 188 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1sfi n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sfi s LYS 188 N -0.92 0.39 0.05 1.61 1.02 -1.26 -3.60 119.74 117.03 1sfi s LYS 188 Ca 0.00 0.17 -0.27 0.00 0.02 0.00 0.00 55.97 55.89 1sfi s LYS 188 Cb 0.00 -0.88 0.10 0.00 -0.52 0.00 0.00 37.83 36.53 1sfi s LYS 188 CO 0.00 -0.33 1.18 0.34 -0.92 0.00 0.00 175.35 175.63 1sfi s ASP 189 N 2.03 -0.04 0.54 2.83 -1.08 -0.76 -4.37 116.67 115.82 1sfi s ASP 189 Ca 0.05 -0.31 -0.03 0.00 -0.52 0.00 0.00 52.55 51.74 1sfi s ASP 189 Cb -0.12 0.28 0.01 0.00 -1.46 0.00 0.00 42.92 41.63 1sfi s ASP 189 CO -0.05 -0.54 0.81 -0.94 0.52 0.00 0.00 175.17 174.97 1sfi s SER 190 N -3.29 5.59 0.17 -0.34 1.04 -1.26 -0.44 113.70 115.17 1sfi s SER 190 Ca 0.20 0.46 -0.04 0.00 0.48 0.00 0.00 55.95 57.05 1sfi s SER 190 Cb 0.01 -1.51 0.01 0.00 0.10 0.00 0.00 66.02 64.63 1sfi s SER 190 CO -0.00 -0.98 0.29 0.00 0.98 0.00 0.00 173.24 173.53 1sfi n GLN 192 N -0.26 2.62 0.00 0.00 3.00 -1.26 -0.96 117.38 120.53 1sfi n GLN 192 Ca -0.02 0.95 0.00 0.00 -0.01 0.00 0.00 57.00 57.92 1sfi n GLN 192 Cb 0.27 -2.77 0.00 0.00 0.00 0.00 0.00 30.24 27.74 1sfi n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1sfi n GLY 193 N 3.83 1.46 0.06 1.08 0.00 -1.26 -0.12 105.19 110.25 1sfi n GLY 193 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1sfi n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sfi n ASP 194 N 0.00 0.68 -4.54 1.61 8.00 -0.13 -3.85 116.55 118.32 1sfi n ASP 194 Ca 0.00 0.05 -0.49 0.00 0.71 0.00 0.00 54.79 55.06 1sfi n ASP 194 Cb 0.00 0.54 -0.04 0.00 -0.02 0.00 0.00 41.12 41.60 1sfi n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1sfi n SER 195 N -2.22 0.67 0.00 -2.24 7.64 -1.26 -1.72 113.62 114.50 1sfi n SER 195 Ca 0.02 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1sfi n SER 195 Cb 0.47 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 1sfi n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sfi n GLY 196 N 1.84 3.13 3.64 0.23 0.00 -0.15 -0.31 105.19 113.57 1sfi n GLY 196 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1sfi n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sfi s GLY 197 N -1.96 1.59 0.36 -0.02 0.00 -0.70 -3.56 107.32 103.05 1sfi s GLY 197 Ca 0.00 -0.83 -0.17 0.00 0.00 0.00 0.00 44.72 43.72 1sfi s GLY 197 CO 0.00 -0.03 0.81 2.56 0.00 0.00 0.00 173.10 176.45 1sfi s PRO 198 N -5.35 4.07 -0.29 2.90 0.04 -1.26 -1.41 135.00 133.71 1sfi s PRO 198 Ca 0.70 0.82 0.01 0.00 0.04 0.00 0.00 61.00 62.57 1sfi s PRO 198 Cb -0.11 -2.34 0.08 0.00 0.04 0.00 0.00 34.50 32.17 1sfi s PRO 198 CO 0.56 0.08 0.02 0.08 0.04 0.00 0.00 177.00 177.78 1sfi s VAL 199 N -2.07 1.57 -0.19 -0.36 1.01 -0.78 -3.23 120.40 116.36 1sfi s VAL 199 Ca 0.57 -1.60 -0.04 0.00 0.00 0.00 0.00 61.98 60.91 1sfi s VAL 199 Cb -0.10 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 1sfi s VAL 199 CO 0.16 -0.41 -0.02 -0.69 0.00 0.00 0.00 175.10 174.14 1sfi s VAL 200 N 1.31 3.79 -0.08 2.92 1.01 -0.47 -1.22 120.40 127.66 1sfi s VAL 200 Ca 0.03 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1sfi s VAL 200 Cb -0.18 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.51 1sfi s VAL 200 CO -0.12 0.45 -0.13 0.00 0.00 0.00 0.00 175.10 175.30 1sfi n SER 202 N 3.96 -4.21 -0.20 0.00 7.64 -1.26 -1.45 113.62 118.09 1sfi n SER 202 Ca -0.21 -0.46 -0.03 0.00 1.01 0.00 0.00 58.87 59.18 1sfi n SER 202 Cb 0.52 -3.45 -0.01 0.00 -1.01 0.00 0.00 64.21 60.26 1sfi n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sfi n GLY 203 N -1.31 0.57 3.35 0.23 0.00 -1.26 -5.03 105.19 101.74 1sfi n GLY 203 Ca -0.02 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 1sfi n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sfi s LYS 204 N -1.44 1.80 -0.73 1.61 -0.14 -0.53 -4.13 119.74 116.18 1sfi s LYS 204 Ca 0.00 -1.12 -0.27 0.00 -1.36 0.00 0.00 55.97 53.23 1sfi s LYS 204 Cb 0.00 -1.98 0.02 0.00 -1.68 0.00 0.00 37.83 34.18 1sfi s LYS 204 CO 0.00 0.51 1.45 -1.17 -0.76 0.00 0.00 175.35 175.38 1sfi s LEU 209 N -1.28 3.21 -0.07 3.17 2.96 -0.09 -1.01 118.68 125.57 1sfi s LEU 209 Ca 0.12 -0.34 0.19 0.00 -0.22 0.00 0.00 54.13 53.88 1sfi s LEU 209 Cb -0.10 -2.55 -0.25 0.00 0.50 0.00 0.00 46.19 43.79 1sfi s LEU 209 CO 0.02 -1.97 0.41 0.00 -1.32 0.00 0.00 176.35 173.50 1sfi n GLN 210 N 9.29 0.66 -4.14 1.98 1.13 -0.36 -4.27 117.38 121.67 1sfi n GLN 210 Ca 0.10 -0.02 -0.09 0.00 -1.94 0.00 0.00 57.00 55.05 1sfi n GLN 210 Cb 0.50 -1.60 -0.10 0.00 0.11 0.00 0.00 30.24 29.15 1sfi n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1sfi s GLY 211 N -4.96 0.75 -0.08 1.08 0.00 -0.87 -1.65 107.32 101.59 1sfi s GLY 211 Ca -0.07 -1.35 0.02 0.00 0.00 0.00 0.00 44.72 43.32 1sfi s GLY 211 CO 0.85 -1.39 -0.15 -0.42 0.00 0.00 0.00 173.10 171.99 1sfi s ILE 212 N -3.82 1.39 0.09 0.90 1.01 -1.08 -1.86 121.20 117.82 1sfi s ILE 212 Ca 0.14 -0.62 -0.31 0.00 0.00 0.00 0.00 60.65 59.87 1sfi s ILE 212 Cb 0.07 -1.26 -0.10 0.00 0.01 0.00 0.00 42.46 41.18 1sfi s ILE 212 CO -0.04 0.41 1.88 -0.69 0.00 0.00 0.00 174.94 176.50 1sfi s VAL 213 N 0.70 2.74 0.06 2.92 1.01 -0.50 -1.43 120.40 125.90 1sfi s VAL 213 Ca -0.13 0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1sfi s VAL 213 Cb -0.16 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1sfi s VAL 213 CO 0.03 -0.00 0.00 -0.24 0.00 0.00 0.00 175.10 174.89 1sfi n SER 214 N 6.44 0.35 -3.00 3.32 2.88 -1.06 -0.98 113.62 121.57 1sfi n SER 214 Ca 0.19 0.09 -0.12 0.00 -1.33 0.00 0.00 58.87 57.70 1sfi n SER 214 Cb 0.39 -0.07 -0.01 0.00 -0.75 0.00 0.00 64.21 63.77 1sfi n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1sfi s TRP 215 N -1.42 0.66 0.00 0.66 1.48 -0.94 -4.93 118.94 114.44 1sfi s TRP 215 Ca 0.00 -1.10 0.00 0.00 -1.06 0.00 0.00 56.10 53.94 1sfi s TRP 215 Cb 0.00 0.36 0.00 0.00 -1.16 0.00 0.00 33.47 32.67 1sfi s TRP 215 CO 0.00 -1.37 0.00 0.41 -4.06 0.00 0.00 176.95 171.93 1sfi n GLY 216 N -0.57 0.13 3.47 3.67 0.00 -1.26 -1.11 105.19 109.52 1sfi n GLY 216 Ca -0.04 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 1sfi n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sfi s SER 217 N 0.00 6.25 0.83 1.61 0.15 -1.26 -4.90 113.70 116.39 1sfi s SER 217 Ca 0.00 -0.73 0.00 0.00 0.70 0.00 0.00 55.95 55.92 1sfi s SER 217 Cb 0.00 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 1sfi s SER 217 CO 0.00 -0.91 0.00 0.61 1.20 0.00 0.00 173.24 174.14 1sfi n GLY 219 N 5.14 0.31 2.98 9.45 0.00 -1.26 -4.68 105.19 117.14 1sfi n GLY 219 Ca -0.05 -0.93 -0.21 0.00 0.00 0.00 0.00 46.02 44.83 1sfi n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sfi n ALA 221 N 3.53 -0.58 -2.29 0.00 0.00 -1.26 -4.63 120.51 115.28 1sfi n ALA 221 Ca -0.21 0.19 -0.36 0.00 0.00 0.00 0.00 53.44 53.07 1sfi n ALA 221 Cb 0.53 -2.19 -0.06 0.00 0.00 0.00 0.00 19.45 17.74 1sfi n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1sfi s GLN 221 N -4.87 4.05 0.30 0.00 -1.52 -1.26 -1.07 119.66 115.28 1sfi s GLN 221 Ca 0.00 0.59 -0.29 0.00 -1.95 0.00 0.00 55.36 53.71 1sfi s GLN 221 Cb 0.00 -2.92 -0.13 0.00 -0.22 0.00 0.00 33.01 29.74 1sfi s GLN 221 CO 0.00 0.46 1.29 1.63 -0.25 0.00 0.00 175.29 178.42 1sfi n LYS 222 N 0.80 1.98 -1.04 2.91 5.02 -1.26 -2.04 118.16 124.52 1sfi n LYS 222 Ca -0.05 0.70 -0.01 0.00 -2.02 0.00 0.00 58.31 56.93 1sfi n LYS 222 Cb 0.52 -2.28 -0.01 0.00 -0.02 0.00 0.00 35.03 33.24 1sfi n LYS 222 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1sfi n ASN 223 N 1.35 -5.30 -3.70 4.39 5.03 0.45 -4.92 115.26 112.55 1sfi n ASN 223 Ca 0.08 0.03 -0.28 0.00 0.87 0.00 0.00 54.58 55.28 1sfi n ASN 223 Cb 0.34 -2.92 -0.12 0.00 -1.02 0.00 0.00 39.78 36.05 1sfi n ASN 223 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1sfi s LYS 224 N -1.71 1.65 0.82 3.52 -0.14 -0.86 -4.75 119.74 118.27 1sfi s LYS 224 Ca 0.00 -2.57 -0.12 0.00 -1.36 0.00 0.00 55.97 51.92 1sfi s LYS 224 Cb 0.00 -2.52 0.08 0.00 -1.68 0.00 0.00 37.83 33.72 1sfi s LYS 224 CO 0.00 -1.27 1.10 -1.25 -0.76 0.00 0.00 175.35 173.17 1sfi s PRO 225 N -0.45 1.90 0.54 -1.68 0.04 -1.26 -4.29 135.00 129.81 1sfi s PRO 225 Ca 0.25 0.58 -0.20 0.00 0.04 0.00 0.00 61.00 61.68 1sfi s PRO 225 Cb -0.09 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.49 1sfi s PRO 225 CO -0.12 -1.73 1.12 0.20 0.04 0.00 0.00 177.00 176.51 1sfi s GLY 226 N -3.92 2.63 -0.10 0.56 0.00 -1.12 -4.69 107.32 100.70 1sfi s GLY 226 Ca 0.61 0.81 0.01 0.00 0.00 0.00 0.00 44.72 46.16 1sfi s GLY 226 CO 0.54 1.17 -0.13 0.14 0.00 0.00 0.00 173.10 174.82 1sfi s VAL 227 N -1.78 3.14 0.05 1.40 1.01 -0.27 -2.01 120.40 121.95 1sfi s VAL 227 Ca 0.72 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 62.10 1sfi s VAL 227 Cb -0.23 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1sfi s VAL 227 CO 0.27 0.55 -0.15 -0.31 0.00 0.00 0.00 175.10 175.46 1sfi s TYR 228 N -0.14 1.28 0.13 5.22 2.02 0.05 -2.21 117.35 123.71 1sfi s TYR 228 Ca -0.01 -0.40 -0.31 0.00 -0.37 0.00 0.00 57.07 55.99 1sfi s TYR 228 Cb -0.13 -0.74 -0.08 0.00 -0.40 0.00 0.00 41.96 40.60 1sfi s TYR 228 CO 0.03 0.06 1.33 0.99 -1.57 0.00 0.00 175.55 176.39 1sfi s THR 229 N -1.02 3.39 -0.88 -0.71 2.01 -0.52 -1.48 115.64 116.43 1sfi s THR 229 Ca 0.01 1.04 -0.22 0.00 0.31 0.00 0.00 61.69 62.83 1sfi s THR 229 Cb -0.09 -3.67 0.08 0.00 0.01 0.00 0.00 72.50 68.83 1sfi s THR 229 CO 0.02 0.11 1.22 -0.75 -0.69 0.00 0.00 174.62 174.52 1sfi s LYS 230 N 0.69 3.44 0.46 4.92 2.20 -0.17 -2.64 119.74 128.63 1sfi s LYS 230 Ca 0.61 -1.15 0.11 0.00 -0.36 0.00 0.00 55.97 55.18 1sfi s LYS 230 Cb -0.36 -4.82 1.05 0.00 -1.51 0.00 0.00 37.83 32.19 1sfi s LYS 230 CO 0.33 -1.98 2.10 0.28 -0.36 0.00 0.00 175.35 175.72 1sfi h VAL 231 N 6.20 1.05 -0.00 4.02 2.07 -1.60 -2.33 116.25 125.66 1sfi h VAL 231 Ca 0.02 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1sfi h VAL 231 Cb 1.03 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1sfi h VAL 231 CO 1.25 0.06 0.01 0.00 0.02 0.00 0.00 177.57 178.91 1sfi n ASN 233 N -3.11 0.53 -0.34 0.00 3.02 -0.88 -3.88 115.26 110.61 1sfi n ASN 233 Ca -0.03 0.54 0.03 0.00 -0.03 0.00 0.00 54.58 55.09 1sfi n ASN 233 Cb 0.08 -0.67 0.08 0.00 -0.61 0.00 0.00 39.78 38.66 1sfi n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1sfi n TYR 234 N -1.99 0.22 -0.18 3.10 4.01 0.11 -4.76 117.16 117.66 1sfi n TYR 234 Ca 0.06 -0.42 -0.05 0.00 -0.16 0.00 0.00 57.90 57.33 1sfi n TYR 234 Cb 0.40 -0.03 0.05 0.00 -0.31 0.00 0.00 39.34 39.45 1sfi n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1sfi h VAL 235 N 1.15 1.04 -0.47 -0.72 2.07 -1.66 0.13 116.25 117.80 1sfi h VAL 235 Ca 0.00 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 1sfi h VAL 235 Cb 0.57 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1sfi h VAL 235 CO 0.00 0.12 -0.02 0.28 0.02 0.00 0.00 177.57 177.97 1sfi h SER 236 N 0.63 0.75 -0.33 0.57 0.02 -1.89 -1.99 113.55 111.32 1sfi h SER 236 Ca 0.22 -0.18 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 1sfi h SER 236 Cb 0.05 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 1sfi h SER 236 CO -0.11 0.82 -0.20 -0.25 -1.14 0.00 0.00 176.83 175.95 1sfi h TRP 237 N 0.72 0.91 0.12 3.45 7.01 -1.70 -1.32 115.95 125.15 1sfi h TRP 237 Ca 0.14 -0.20 -0.01 0.00 2.11 0.00 0.00 58.89 60.93 1sfi h TRP 237 Cb 0.46 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 27.31 1sfi h TRP 237 CO 0.02 0.93 -0.06 0.82 -2.79 0.00 0.00 178.44 177.37 1sfi h ILE 238 N 0.71 0.93 -0.90 2.65 2.04 -0.51 -1.02 117.51 121.41 1sfi h ILE 238 Ca 0.10 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.82 1sfi h ILE 238 Cb 0.72 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.78 1sfi h ILE 238 CO 0.06 0.04 0.58 0.11 0.00 0.00 0.00 178.15 178.94 1sfi h LYS 239 N -0.24 1.11 -0.25 2.37 1.57 -1.19 -1.45 116.57 118.49 1sfi h LYS 239 Ca -0.02 -0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 58.55 1sfi h LYS 239 Cb 0.19 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1sfi h LYS 239 CO 0.03 0.73 -0.47 0.37 -0.57 0.00 0.00 179.45 179.54 1sfi h GLN 240 N 1.14 0.65 -0.59 3.15 5.75 -1.10 -1.71 115.11 122.40 1sfi h GLN 240 Ca 0.35 -0.37 -0.11 0.00 -0.15 0.00 0.00 58.65 58.38 1sfi h GLN 240 Cb -0.02 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 1sfi h GLN 240 CO -0.11 0.97 -0.04 1.15 -2.65 0.00 0.00 178.83 178.15 1sfi h THR 241 N 0.51 1.27 -0.28 2.39 2.02 -0.86 -1.73 112.91 116.23 1sfi h THR 241 Ca 0.03 -1.20 -0.04 0.00 0.77 0.00 0.00 66.41 65.96 1sfi h THR 241 Cb 1.01 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 1sfi h THR 241 CO 0.09 0.43 0.01 0.40 0.37 0.00 0.00 175.52 176.83 1sfi h ILE 242 N 0.96 1.25 0.00 3.11 2.04 -1.24 -2.88 117.51 120.76 1sfi h ILE 242 Ca 0.16 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 1sfi h ILE 242 Cb 0.61 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1sfi h ILE 242 CO 0.04 0.29 -0.05 0.00 0.00 0.00 0.00 178.15 178.43 1sfi h ALA 243 N 0.83 1.91 -0.19 1.87 0.00 -1.03 -2.58 119.26 120.08 1sfi h ALA 243 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1sfi h ALA 243 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1sfi h ALA 243 CO 0.01 0.06 0.00 -1.13 0.00 0.00 0.00 179.25 178.19 1sfi n SER 244 N -4.46 2.76 0.00 0.00 3.41 -0.68 -5.10 113.62 109.54 1sfi n SER 244 Ca -0.03 -1.89 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 1sfi n SER 244 Cb 0.13 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1sfi n SER 244 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47