#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mfj s VAL 17 N 0.00 4.98 -0.41 1.39 1.01 0.57 -4.00 120.40 123.93 3mfj s VAL 17 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.01 3mfj s VAL 17 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.15 3mfj s VAL 17 CO 0.00 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.20 3mfj n GLY 18 N 3.22 0.68 0.00 4.51 0.00 -1.24 -1.45 105.19 110.91 3mfj n GLY 18 Ca -0.17 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.06 3mfj n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mfj n GLY 19 N -2.44 1.91 3.10 -0.02 0.00 -1.26 -4.85 105.19 101.63 3mfj n GLY 19 Ca -0.04 -1.97 -0.07 0.00 0.00 0.00 0.00 46.02 43.94 3mfj n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3mfj s TYR 20 N 2.49 0.48 -0.10 1.61 1.13 0.08 -4.95 117.35 118.08 3mfj s TYR 20 Ca 0.00 -1.01 -0.29 0.00 -1.41 0.00 0.00 57.07 54.35 3mfj s TYR 20 Cb 0.00 -0.35 -0.04 0.00 -1.10 0.00 0.00 41.96 40.47 3mfj s TYR 20 CO 0.00 -0.39 1.46 0.99 -2.51 0.00 0.00 175.55 175.09 3mfj s THR 21 N -3.86 3.91 0.17 -3.49 2.01 -1.26 -0.67 115.64 112.45 3mfj s THR 21 Ca 0.06 1.12 -0.13 0.00 0.31 0.00 0.00 61.69 63.05 3mfj s THR 21 Cb 0.07 -3.72 0.07 0.00 0.01 0.00 0.00 72.50 68.93 3mfj s THR 21 CO -0.10 -0.09 1.78 0.00 -0.69 0.00 0.00 174.62 175.51 3mfj n GLY 23 N -1.01 2.47 3.70 0.00 0.00 -1.26 -4.83 105.19 104.26 3mfj n GLY 23 Ca 0.03 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 3mfj n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mfj s ALA 24 N -1.37 3.76 -1.83 4.61 0.00 -1.26 -2.46 121.76 123.21 3mfj s ALA 24 Ca 0.00 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.34 3mfj s ALA 24 Cb 0.00 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.41 3mfj s ALA 24 CO 0.00 -1.09 0.00 0.09 0.00 0.00 0.00 175.76 174.76 3mfj n ASN 25 N 5.20 -5.37 -0.04 0.00 4.13 -1.26 -4.87 115.26 113.05 3mfj n ASN 25 Ca 0.16 0.25 0.14 0.00 1.68 0.00 0.00 54.58 56.81 3mfj n ASN 25 Cb 0.39 -4.48 0.56 0.00 -1.54 0.00 0.00 39.78 34.70 3mfj n ASN 25 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3mfj n THR 26 N -3.17 0.00 -3.51 3.41 -2.24 -1.03 -4.17 114.28 103.57 3mfj n THR 26 Ca -0.21 -0.02 -0.27 0.00 -2.27 0.00 0.00 64.05 61.29 3mfj n THR 26 Cb 0.64 -0.21 -0.09 0.00 -2.10 0.00 0.00 70.33 68.57 3mfj n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3mfj n VAL 27 N -1.28 0.99 0.74 2.28 0.31 -1.26 -5.00 118.33 115.11 3mfj n VAL 27 Ca 0.10 -4.60 0.11 0.00 -0.01 0.00 0.00 64.34 59.95 3mfj n VAL 27 Cb 0.31 -2.03 0.48 0.00 -0.91 0.00 0.00 33.84 31.69 3mfj n VAL 27 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3mfj n PRO 28 N 1.59 0.04 0.00 5.55 -0.04 -1.26 -1.62 135.00 139.26 3mfj n PRO 28 Ca 0.25 0.14 0.12 0.00 -0.04 0.00 0.00 63.50 63.98 3mfj n PRO 28 Cb 0.43 -1.56 0.31 0.00 -0.04 0.00 0.00 33.50 32.64 3mfj n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 3mfj n TYR 29 N -1.63 0.00 -2.44 0.54 0.18 -1.13 -1.84 117.16 110.85 3mfj n TYR 29 Ca 0.05 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.41 3mfj n TYR 29 Cb 0.28 -0.23 -0.03 0.00 -0.38 0.00 0.00 39.34 38.97 3mfj n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 3mfj s GLN 30 N -2.88 4.45 0.19 -3.48 2.00 -0.64 -1.01 119.66 118.29 3mfj s GLN 30 Ca 0.15 1.76 0.10 0.00 -2.00 0.00 0.00 55.36 55.36 3mfj s GLN 30 Cb 0.18 -3.34 -0.04 0.00 0.80 0.00 0.00 33.01 30.60 3mfj s GLN 30 CO 0.65 -0.23 -0.14 0.08 -0.50 0.00 0.00 175.29 175.15 3mfj s VAL 31 N 0.96 2.92 -0.16 1.34 1.01 -0.29 -4.48 120.40 121.69 3mfj s VAL 31 Ca 0.58 -1.80 -0.04 0.00 0.00 0.00 0.00 61.98 60.71 3mfj s VAL 31 Cb -0.29 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 3mfj s VAL 31 CO 0.30 -0.13 -0.02 -0.55 0.00 0.00 0.00 175.10 174.70 3mfj s SER 32 N -2.83 4.94 -0.15 3.32 0.15 -0.54 -2.21 113.70 116.38 3mfj s SER 32 Ca 0.24 -0.09 -0.18 0.00 0.70 0.00 0.00 55.95 56.62 3mfj s SER 32 Cb -0.08 -1.81 -0.04 0.00 -1.71 0.00 0.00 66.02 62.38 3mfj s SER 32 CO 0.14 0.18 0.48 -0.76 1.20 0.00 0.00 173.24 174.47 3mfj s LEU 33 N 0.33 4.23 -0.07 3.45 1.43 0.10 -0.66 118.68 127.50 3mfj s LEU 33 Ca -0.03 0.75 0.03 0.00 -1.03 0.00 0.00 54.13 53.85 3mfj s LEU 33 Cb -0.14 -2.68 0.01 0.00 0.03 0.00 0.00 46.19 43.41 3mfj s LEU 33 CO 0.02 -0.05 -0.14 0.21 0.23 0.00 0.00 176.35 176.62 3mfj s ASN 34 N 0.79 2.00 -0.35 2.29 3.84 -0.04 -1.22 114.94 122.25 3mfj s ASN 34 Ca 0.25 -0.34 0.12 0.00 0.21 0.00 0.00 52.86 53.09 3mfj s ASN 34 Cb -0.15 -0.89 0.45 0.00 -0.55 0.00 0.00 41.25 40.11 3mfj s ASN 34 CO 0.10 0.06 1.08 -1.54 -2.79 0.00 0.00 177.10 174.01 3mfj n SER 37 N 3.70 3.38 0.00 -4.21 3.41 -1.26 -0.63 113.62 118.01 3mfj n SER 37 Ca -0.22 -3.20 0.00 0.00 -0.26 0.00 0.00 58.87 55.19 3mfj n SER 37 Cb 0.52 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 3mfj n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mfj n GLY 38 N -0.42 0.17 3.57 5.00 0.00 -1.26 -5.02 105.19 107.23 3mfj n GLY 38 Ca 0.27 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.20 3mfj n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3mfj s TYR 39 N -2.00 -0.30 0.24 1.61 -0.85 -1.26 -5.14 117.35 109.64 3mfj s TYR 39 Ca 0.00 0.43 -0.30 0.00 -0.52 0.00 0.00 57.07 56.68 3mfj s TYR 39 Cb 0.00 0.48 -0.10 0.00 0.38 0.00 0.00 41.96 42.71 3mfj s TYR 39 CO 0.00 -0.32 1.51 -1.58 -1.52 0.00 0.00 175.55 173.63 3mfj s HIS 40 N -1.58 2.97 0.00 -3.49 5.65 -1.26 -4.21 115.29 113.37 3mfj s HIS 40 Ca 0.02 0.86 0.00 0.00 0.25 0.00 0.00 55.06 56.19 3mfj s HIS 40 Cb -0.01 -3.90 0.00 0.00 -1.18 0.00 0.00 32.58 27.49 3mfj s HIS 40 CO -0.02 -3.07 0.00 1.97 -0.65 0.00 0.00 174.74 172.97 3mfj n PHE 41 N 2.74 0.00 -3.48 3.88 -1.74 -0.36 -4.96 117.46 113.54 3mfj n PHE 41 Ca 0.09 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.87 3mfj n PHE 41 Cb 0.39 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.37 3mfj n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3mfj s GLY 43 N -2.72 1.75 0.15 0.00 0.00 0.37 -0.72 107.32 106.15 3mfj s GLY 43 Ca 0.03 -1.82 -0.24 0.00 0.00 0.00 0.00 44.72 42.69 3mfj s GLY 43 CO -0.10 -1.21 1.05 -0.32 0.00 0.00 0.00 173.10 172.52 3mfj s GLY 44 N -4.78 -0.03 -0.06 0.20 0.00 -0.94 -3.74 107.32 97.97 3mfj s GLY 44 Ca 0.68 -0.12 0.02 0.00 0.00 0.00 0.00 44.72 45.30 3mfj s GLY 44 CO 0.45 1.72 -0.10 -0.56 0.00 0.00 0.00 173.10 174.61 3mfj s SER 45 N -3.26 1.48 -0.13 1.64 0.01 -0.09 -1.14 113.70 112.21 3mfj s SER 45 Ca 0.19 -0.24 -0.29 0.00 1.31 0.00 0.00 55.95 56.91 3mfj s SER 45 Cb -0.02 -0.69 -0.01 0.00 0.21 0.00 0.00 66.02 65.51 3mfj s SER 45 CO 0.04 0.01 1.12 -0.22 0.41 0.00 0.00 173.24 174.60 3mfj s LEU 46 N 0.73 4.21 -0.00 2.44 2.96 -0.18 -0.88 118.68 127.96 3mfj s LEU 46 Ca -0.14 1.62 0.08 0.00 -0.22 0.00 0.00 54.13 55.47 3mfj s LEU 46 Cb -0.15 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 42.89 3mfj s LEU 46 CO 0.03 -0.60 0.27 2.30 -1.32 0.00 0.00 176.35 177.03 3mfj n ILE 47 N 4.89 0.00 -3.55 6.68 -5.35 -0.33 -1.01 119.36 120.70 3mfj n ILE 47 Ca 0.11 -0.27 -0.05 0.00 -0.27 0.00 0.00 62.75 62.27 3mfj n ILE 47 Cb 0.47 0.78 0.02 0.00 -1.74 0.00 0.00 39.64 39.16 3mfj n ILE 47 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 3mfj n ASN 48 N -1.37 -1.43 0.21 7.28 0.23 -1.19 -4.63 115.26 114.36 3mfj n ASN 48 Ca 0.00 -1.96 0.15 0.00 -0.53 0.00 0.00 54.58 52.24 3mfj n ASN 48 Cb 0.15 2.38 0.73 0.00 -2.08 0.00 0.00 39.78 40.95 3mfj n ASN 48 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3mfj h SER 49 N 1.28 0.00 -0.00 0.53 4.64 -1.97 -3.10 113.55 114.93 3mfj h SER 49 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 3mfj h SER 49 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3mfj h SER 49 CO 0.27 0.00 -0.01 1.67 -0.87 0.00 0.00 176.83 177.89 3mfj n GLN 50 N -2.55 2.15 -4.11 4.77 7.27 -1.26 -0.33 117.38 123.32 3mfj n GLN 50 Ca -0.01 -0.32 -0.15 0.00 0.07 0.00 0.00 57.00 56.59 3mfj n GLN 50 Cb 0.12 -0.82 -0.14 0.00 2.41 0.00 0.00 30.24 31.81 3mfj n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 3mfj s TRP 51 N -0.44 0.41 0.01 3.69 0.52 -1.17 -0.59 118.94 121.36 3mfj s TRP 51 Ca 0.00 -0.08 0.08 0.00 0.02 0.00 0.00 56.10 56.13 3mfj s TRP 51 Cb 0.00 -0.27 -0.02 0.00 -1.15 0.00 0.00 33.47 32.03 3mfj s TRP 51 CO 0.01 -0.01 -0.26 0.08 0.02 0.00 0.00 176.95 176.79 3mfj s VAL 52 N -0.05 2.05 -0.13 4.03 1.01 0.01 -1.18 120.40 126.14 3mfj s VAL 52 Ca 0.01 -1.22 -0.05 0.00 0.00 0.00 0.00 61.98 60.72 3mfj s VAL 52 Cb -0.02 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 3mfj s VAL 52 CO -0.00 0.47 0.03 0.54 0.00 0.00 0.00 175.10 176.14 3mfj s VAL 53 N -0.70 4.56 0.00 2.92 0.11 -0.06 -0.72 120.40 126.51 3mfj s VAL 53 Ca 0.11 -0.13 0.00 0.00 -2.93 0.00 0.00 61.98 59.02 3mfj s VAL 53 Cb -0.10 -2.99 0.00 0.00 -1.53 0.00 0.00 36.38 31.76 3mfj s VAL 53 CO 0.00 0.54 0.00 -0.24 -3.33 0.00 0.00 175.10 172.08 3mfj n SER 54 N 2.81 0.00 -4.81 3.54 2.88 -0.22 -0.92 113.62 116.90 3mfj n SER 54 Ca -0.18 -0.87 -0.38 0.00 -1.33 0.00 0.00 58.87 56.11 3mfj n SER 54 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 3mfj n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3mfj s ALA 55 N -1.81 3.61 0.47 -1.46 0.00 -1.26 -1.07 121.76 120.24 3mfj s ALA 55 Ca 0.00 -0.04 0.15 0.00 0.00 0.00 0.00 51.96 52.08 3mfj s ALA 55 Cb 0.00 -2.58 1.12 0.00 0.00 0.00 0.00 23.12 21.67 3mfj s ALA 55 CO 0.00 0.40 2.04 0.00 0.00 0.00 0.00 175.76 178.20 3mfj h ALA 56 N 4.68 2.04 0.00 0.00 0.00 -1.68 -1.24 119.26 123.06 3mfj h ALA 56 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3mfj h ALA 56 Cb 1.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3mfj h ALA 56 CO 0.63 -0.12 0.00 -2.39 0.00 0.00 0.00 179.25 177.37 3mfj n HIS 57 N -4.47 0.00 1.60 0.00 1.44 -1.26 -1.32 115.22 111.20 3mfj n HIS 57 Ca 0.05 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 55.91 3mfj n HIS 57 Cb 0.28 -0.46 0.65 0.00 0.12 0.00 0.00 29.99 30.59 3mfj n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3mfj n TYR 59 N -0.47 2.43 -3.63 0.00 9.36 -0.44 -4.99 117.16 119.43 3mfj n TYR 59 Ca 0.19 0.47 -0.07 0.00 3.32 0.00 0.00 57.90 61.80 3mfj n TYR 59 Cb 0.27 -2.47 -0.02 0.00 -0.63 0.00 0.00 39.34 36.49 3mfj n TYR 59 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 3mfj s LYS 60 N -1.36 1.20 0.65 2.98 -2.85 -1.26 -5.14 119.74 113.96 3mfj s LYS 60 Ca 0.59 -0.56 -0.10 0.00 -1.00 0.00 0.00 55.97 54.90 3mfj s LYS 60 Cb -0.56 0.47 -0.00 0.00 -2.06 0.00 0.00 37.83 35.67 3mfj s LYS 60 CO 0.57 -0.54 1.03 -1.54 0.10 0.00 0.00 175.35 174.98 3mfj s SER 61 N -2.76 5.71 -0.23 0.03 1.04 -1.26 -4.49 113.70 111.73 3mfj s SER 61 Ca 0.07 1.12 -0.00 0.00 0.48 0.00 0.00 55.95 57.62 3mfj s SER 61 Cb -0.02 -2.04 0.00 0.00 0.10 0.00 0.00 66.02 64.06 3mfj s SER 61 CO -0.04 -1.14 0.04 0.61 0.98 0.00 0.00 173.24 173.69 3mfj n GLY 62 N -2.83 0.36 3.72 7.32 0.00 -1.26 -5.00 105.19 107.50 3mfj n GLY 62 Ca 0.06 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 3mfj n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mfj s ILE 63 N -2.34 4.76 -0.19 -0.61 1.01 -1.26 -4.56 121.20 118.02 3mfj s ILE 63 Ca 0.02 1.88 -0.05 0.00 0.00 0.00 0.00 60.65 62.50 3mfj s ILE 63 Cb -0.01 -4.24 -0.02 0.00 0.01 0.00 0.00 42.46 38.20 3mfj s ILE 63 CO 0.02 0.26 -0.01 -1.58 0.00 0.00 0.00 174.94 173.63 3mfj s GLN 64 N 0.47 3.62 -0.07 2.79 0.74 0.19 -1.07 119.66 126.34 3mfj s GLN 64 Ca 0.46 -0.53 -0.23 0.00 0.05 0.00 0.00 55.36 55.11 3mfj s GLN 64 Cb -0.21 -3.03 -0.04 0.00 1.10 0.00 0.00 33.01 30.83 3mfj s GLN 64 CO 0.26 0.07 0.68 0.08 -0.55 0.00 0.00 175.29 175.82 3mfj s VAL 65 N 0.84 5.05 -0.28 1.34 1.01 0.28 -0.86 120.40 127.78 3mfj s VAL 65 Ca 0.00 1.39 -0.01 0.00 0.00 0.00 0.00 61.98 63.37 3mfj s VAL 65 Cb -0.14 -4.02 0.05 0.00 0.00 0.00 0.00 36.38 32.27 3mfj s VAL 65 CO 0.02 0.27 -0.04 -0.13 0.00 0.00 0.00 175.10 175.22 3mfj s ARG 66 N 0.72 2.46 0.22 2.72 0.52 0.17 -1.00 118.95 124.74 3mfj s ARG 66 Ca 0.36 -1.23 0.05 0.00 -0.52 0.00 0.00 55.73 54.39 3mfj s ARG 66 Cb -0.18 -3.07 -0.03 0.00 0.52 0.00 0.00 34.95 32.19 3mfj s ARG 66 CO 0.17 -0.57 0.30 -0.51 0.02 0.00 0.00 175.30 174.72 3mfj s LEU 67 N 1.23 4.22 -0.91 2.53 1.43 0.09 -1.47 118.68 125.80 3mfj s LEU 67 Ca -0.05 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 3mfj s LEU 67 Cb -0.19 -2.77 0.00 0.00 0.03 0.00 0.00 46.19 43.26 3mfj s LEU 67 CO -0.03 -0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.14 3mfj n GLY 69 N -1.10 1.03 3.81 -3.19 0.00 -1.26 -1.12 105.19 103.35 3mfj n GLY 69 Ca -0.08 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 3mfj n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mfj s GLU 70 N -2.62 4.32 0.00 1.61 0.41 -1.26 -3.77 118.70 117.40 3mfj s GLU 70 Ca 0.00 0.94 0.00 0.00 -0.41 0.00 0.00 54.97 55.50 3mfj s GLU 70 Cb 0.00 -2.95 0.00 0.00 -1.78 0.00 0.00 34.13 29.40 3mfj s GLU 70 CO 0.00 0.43 0.00 -3.47 -0.49 0.00 0.00 175.26 171.73 3mfj n ASP 71 N 0.90 0.00 -4.63 -0.19 2.03 -1.26 -4.55 116.55 108.85 3mfj n ASP 71 Ca -0.03 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.85 3mfj n ASP 71 Cb 0.51 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.88 3mfj n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 3mfj s ASN 72 N 0.90 6.59 0.00 1.67 3.84 -1.26 -3.49 114.94 123.19 3mfj s ASN 72 Ca 0.00 1.21 0.23 0.00 0.21 0.00 0.00 52.86 54.51 3mfj s ASN 72 Cb 0.00 -2.54 1.14 0.00 -0.55 0.00 0.00 41.25 39.30 3mfj s ASN 72 CO 0.00 -1.15 1.75 2.30 -2.79 0.00 0.00 177.10 177.21 3mfj n ILE 73 N 6.35 0.30 0.46 -5.21 -5.35 -0.53 -2.97 119.36 112.41 3mfj n ILE 73 Ca 0.16 0.07 0.07 0.00 -0.27 0.00 0.00 62.75 62.78 3mfj n ILE 73 Cb 0.47 -0.69 0.08 0.00 -1.74 0.00 0.00 39.64 37.75 3mfj n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3mfj n ASN 74 N -1.31 2.37 -3.91 7.28 3.02 -1.26 -4.96 115.26 116.48 3mfj n ASN 74 Ca 0.10 -1.67 -0.19 0.00 -0.03 0.00 0.00 54.58 52.80 3mfj n ASN 74 Cb 0.19 -0.05 -0.16 0.00 -0.61 0.00 0.00 39.78 39.15 3mfj n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3mfj s VAL 75 N -1.16 0.49 -0.39 2.41 1.01 -1.16 -5.11 120.40 116.50 3mfj s VAL 75 Ca 0.19 -0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 3mfj s VAL 75 Cb 0.13 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 36.03 3mfj s VAL 75 CO 0.18 0.19 1.13 -0.69 0.00 0.00 0.00 175.10 175.91 3mfj s VAL 76 N 0.58 4.33 -0.44 2.92 1.01 -1.26 -4.69 120.40 122.85 3mfj s VAL 76 Ca -0.07 1.46 0.14 0.00 0.00 0.00 0.00 61.98 63.51 3mfj s VAL 76 Cb -0.11 -4.47 -0.18 0.00 0.00 0.00 0.00 36.38 31.62 3mfj s VAL 76 CO -0.00 -0.72 0.50 -0.62 0.00 0.00 0.00 175.10 174.26 3mfj n GLU 77 N 7.36 1.72 0.00 2.72 1.02 -1.26 -5.03 120.64 127.17 3mfj n GLU 77 Ca 0.12 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 3mfj n GLU 77 Cb 0.48 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 3mfj n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mfj n GLY 78 N 1.45 1.37 0.19 0.62 0.00 -1.26 -4.97 105.19 102.59 3mfj n GLY 78 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 3mfj n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mfj n ASN 79 N 0.00 1.96 -4.79 1.61 4.13 -1.26 -5.06 115.26 111.86 3mfj n ASN 79 Ca 0.00 -1.70 -0.34 0.00 1.68 0.00 0.00 54.58 54.22 3mfj n ASN 79 Cb 0.00 -0.05 -0.00 0.00 -1.54 0.00 0.00 39.78 38.19 3mfj n ASN 79 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 3mfj s GLU 80 N -0.76 3.40 -0.09 3.52 8.01 -1.25 -4.35 118.70 127.18 3mfj s GLU 80 Ca 0.07 1.43 -0.00 0.00 0.01 0.00 0.00 54.97 56.47 3mfj s GLU 80 Cb 0.04 -2.03 0.02 0.00 -4.31 0.00 0.00 34.13 27.85 3mfj s GLU 80 CO 0.05 -0.78 -0.06 -0.65 0.01 0.00 0.00 175.26 173.83 3mfj s GLN 81 N -3.54 1.28 -0.26 1.61 -0.21 -0.28 -4.96 119.66 113.30 3mfj s GLN 81 Ca 0.69 -0.18 -0.08 0.00 0.02 0.00 0.00 55.36 55.81 3mfj s GLN 81 Cb -0.20 -1.36 -0.03 0.00 1.00 0.00 0.00 33.01 32.43 3mfj s GLN 81 CO 0.29 -0.22 0.09 -0.06 -2.12 0.00 0.00 175.29 173.27 3mfj s PHE 82 N 1.57 3.11 -0.05 0.91 0.08 -1.26 -0.73 117.98 121.61 3mfj s PHE 82 Ca 0.01 -0.43 -0.01 0.00 0.12 0.00 0.00 56.93 56.63 3mfj s PHE 82 Cb -0.13 -2.27 0.03 0.00 -0.57 0.00 0.00 43.02 40.08 3mfj s PHE 82 CO -0.05 -0.37 0.00 0.42 -0.10 0.00 0.00 175.22 175.12 3mfj s ILE 83 N 1.62 0.30 0.48 0.64 1.01 -0.17 -4.99 121.20 120.09 3mfj s ILE 83 Ca 0.06 0.11 -0.22 0.00 0.00 0.00 0.00 60.65 60.60 3mfj s ILE 83 Cb -0.16 -0.43 -0.07 0.00 0.01 0.00 0.00 42.46 41.81 3mfj s ILE 83 CO 0.05 0.22 1.16 -0.44 0.00 0.00 0.00 174.94 175.93 3mfj s SER 84 N 1.61 6.03 0.29 3.58 0.01 -1.26 -0.56 113.70 123.41 3mfj s SER 84 Ca -0.01 2.29 -0.29 0.00 1.31 0.00 0.00 55.95 59.24 3mfj s SER 84 Cb -0.13 -2.60 -0.10 0.00 0.21 0.00 0.00 66.02 63.41 3mfj s SER 84 CO -0.03 -1.01 1.15 0.00 0.41 0.00 0.00 173.24 173.75 3mfj s ALA 85 N -1.59 3.42 -0.11 1.44 0.00 -0.23 -0.93 121.76 123.75 3mfj s ALA 85 Ca 0.66 0.98 0.17 0.00 0.00 0.00 0.00 51.96 53.77 3mfj s ALA 85 Cb -0.28 -3.36 -0.20 0.00 0.00 0.00 0.00 23.12 19.28 3mfj s ALA 85 CO 0.33 -0.28 0.58 0.45 0.00 0.00 0.00 175.76 176.84 3mfj n SER 86 N 1.07 0.58 -3.57 0.00 2.88 0.27 -4.71 113.62 110.13 3mfj n SER 86 Ca -0.01 0.26 -0.16 0.00 -1.33 0.00 0.00 58.87 57.63 3mfj n SER 86 Cb 0.44 0.49 -0.07 0.00 -0.75 0.00 0.00 64.21 64.32 3mfj n SER 86 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 3mfj s LYS 87 N -2.81 0.95 -0.07 -1.46 -2.85 -1.23 -5.01 119.74 107.27 3mfj s LYS 87 Ca -0.05 0.47 0.04 0.00 -1.00 0.00 0.00 55.97 55.43 3mfj s LYS 87 Cb 0.08 0.45 -0.02 0.00 -2.06 0.00 0.00 37.83 36.29 3mfj s LYS 87 CO 0.83 -0.24 -0.18 -1.12 0.10 0.00 0.00 175.35 174.74 3mfj s SER 88 N -0.67 3.69 -0.28 0.03 0.01 -1.26 -0.99 113.70 114.23 3mfj s SER 88 Ca -0.07 -0.34 -0.02 0.00 1.31 0.00 0.00 55.95 56.83 3mfj s SER 88 Cb -0.02 -1.00 0.09 0.00 0.21 0.00 0.00 66.02 65.30 3mfj s SER 88 CO 0.07 0.27 0.09 -0.63 0.41 0.00 0.00 173.24 173.44 3mfj s ILE 89 N -0.30 0.63 0.40 1.44 1.01 0.56 -5.00 121.20 119.95 3mfj s ILE 89 Ca 0.02 -1.08 -0.24 0.00 0.00 0.00 0.00 60.65 59.34 3mfj s ILE 89 Cb -0.13 -1.40 -0.09 0.00 0.01 0.00 0.00 42.46 40.86 3mfj s ILE 89 CO 0.03 -0.57 1.11 -0.69 0.00 0.00 0.00 174.94 174.81 3mfj s VAL 90 N 1.76 3.43 0.37 2.92 1.01 -1.26 -0.94 120.40 127.68 3mfj s VAL 90 Ca 0.07 1.13 -0.27 0.00 0.00 0.00 0.00 61.98 62.92 3mfj s VAL 90 Cb -0.17 -3.61 -0.12 0.00 0.00 0.00 0.00 36.38 32.49 3mfj s VAL 90 CO -0.23 0.05 1.20 1.57 0.00 0.00 0.00 175.10 177.69 3mfj n HIS 91 N -0.04 1.92 0.32 5.22 -0.00 -0.64 -4.84 115.22 117.16 3mfj n HIS 91 Ca 0.05 0.56 0.20 0.00 0.46 0.00 0.00 57.72 58.99 3mfj n HIS 91 Cb 0.48 -2.35 1.08 0.00 -0.12 0.00 0.00 29.99 29.08 3mfj n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3mfj h PRO 92 N 2.18 0.00 -0.19 1.57 0.13 -1.93 -2.07 132.00 131.69 3mfj h PRO 92 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3mfj h PRO 92 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 3mfj h PRO 92 CO 0.61 0.01 0.00 0.43 -0.23 0.00 0.00 178.00 178.81 3mfj n SER 93 N -3.30 3.07 -4.72 1.44 7.64 -1.26 -5.03 113.62 111.46 3mfj n SER 93 Ca -0.03 -2.66 -0.42 0.00 1.01 0.00 0.00 58.87 56.77 3mfj n SER 93 Cb 0.10 -0.37 -0.03 0.00 -1.01 0.00 0.00 64.21 62.90 3mfj n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mfj n TYR 94 N -0.48 2.75 -4.03 1.43 9.36 -0.78 -4.68 117.16 120.73 3mfj n TYR 94 Ca 0.15 0.12 -0.33 0.00 3.32 0.00 0.00 57.90 61.16 3mfj n TYR 94 Cb 0.64 -2.64 -0.15 0.00 -0.63 0.00 0.00 39.34 36.56 3mfj n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3mfj s ASN 95 N 0.95 4.42 0.37 2.98 3.84 -0.67 -5.00 114.94 121.82 3mfj s ASN 95 Ca 0.72 -1.27 0.27 0.00 0.21 0.00 0.00 52.86 52.79 3mfj s ASN 95 Cb -0.52 -1.58 1.06 0.00 -0.55 0.00 0.00 41.25 39.66 3mfj s ASN 95 CO 0.37 -0.18 1.81 0.77 -2.79 0.00 0.00 177.10 177.08 3mfj h SER 96 N 7.85 0.00 0.04 -4.21 4.64 -1.93 0.23 113.55 120.16 3mfj h SER 96 Ca -0.23 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.96 3mfj h SER 96 Cb 1.06 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.16 3mfj h SER 96 CO 0.50 0.00 -0.56 0.78 -0.87 0.00 0.00 176.83 176.68 3mfj h ASN 97 N 0.00 0.43 0.39 4.97 2.35 -1.97 -3.36 115.58 118.38 3mfj h ASN 97 Ca 0.00 -0.83 0.00 0.00 -0.55 0.00 0.00 56.30 54.92 3mfj h ASN 97 Cb 0.49 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3mfj h ASN 97 CO 0.00 1.21 -1.22 0.35 -1.65 0.00 0.00 177.43 176.11 3mfj n THR 98 N -4.27 0.18 -1.38 2.81 -2.24 -1.18 -4.97 114.28 103.24 3mfj n THR 98 Ca -0.11 -0.32 -0.13 0.00 -2.27 0.00 0.00 64.05 61.22 3mfj n THR 98 Cb 0.67 0.15 -0.06 0.00 -2.10 0.00 0.00 70.33 68.99 3mfj n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3mfj n LEU 99 N -2.09 -0.79 -4.75 3.22 4.77 0.80 -4.99 117.00 113.17 3mfj n LEU 99 Ca 0.01 0.33 -0.41 0.00 -0.03 0.00 0.00 56.01 55.90 3mfj n LEU 99 Cb 0.47 -2.32 -0.02 0.00 -2.33 0.00 0.00 43.42 39.22 3mfj n LEU 99 CO 0.42 -0.85 1.04 0.21 -1.33 0.00 0.00 177.39 176.87 3mfj s ASN 100 N -2.65 6.72 -1.05 -1.43 2.47 -1.20 -2.87 114.94 114.92 3mfj s ASN 100 Ca 0.00 2.66 -0.02 0.00 0.42 0.00 0.00 52.86 55.91 3mfj s ASN 100 Cb 0.00 -2.63 0.00 0.00 -1.45 0.00 0.00 41.25 37.17 3mfj s ASN 100 CO 0.00 -0.62 0.89 0.59 -3.72 0.00 0.00 177.10 174.24 3mfj n ASN 101 N 1.71 -3.15 -4.33 -4.21 3.02 -1.26 -1.67 115.26 105.36 3mfj n ASN 101 Ca 0.04 -0.50 -0.43 0.00 -0.03 0.00 0.00 54.58 53.66 3mfj n ASN 101 Cb 0.41 -4.38 0.00 0.00 -0.61 0.00 0.00 39.78 35.20 3mfj n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3mfj n ASP 102 N -2.65 4.83 -3.73 6.41 2.03 -1.14 -4.28 116.55 118.03 3mfj n ASP 102 Ca -0.17 -2.94 -0.13 0.00 0.52 0.00 0.00 54.79 52.07 3mfj n ASP 102 Cb 0.62 -1.67 -0.09 0.00 -0.72 0.00 0.00 41.12 39.26 3mfj n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3mfj s ILE 103 N 3.04 0.02 0.02 5.18 2.07 -1.26 -3.83 121.20 126.43 3mfj s ILE 103 Ca 0.49 -0.13 -0.10 0.00 -1.41 0.00 0.00 60.65 59.49 3mfj s ILE 103 Cb 0.05 -0.61 0.01 0.00 0.13 0.00 0.00 42.46 42.03 3mfj s ILE 103 CO 0.02 -0.07 0.21 -0.32 -1.91 0.00 0.00 174.94 172.87 3mfj s MET 104 N -0.31 0.64 -0.02 3.50 -2.45 -0.24 -1.63 119.30 118.80 3mfj s MET 104 Ca -0.05 -0.47 0.03 0.00 -1.25 0.00 0.00 55.69 53.95 3mfj s MET 104 Cb -0.03 0.27 -0.03 0.00 1.25 0.00 0.00 34.83 36.29 3mfj s MET 104 CO 0.02 -0.18 -0.08 -0.51 1.05 0.00 0.00 175.02 175.32 3mfj s LEU 105 N -1.75 3.10 -0.10 4.11 1.43 -0.12 -1.06 118.68 124.29 3mfj s LEU 105 Ca -0.09 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 3mfj s LEU 105 Cb -0.04 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.47 3mfj s LEU 105 CO -0.01 0.32 -0.13 -0.63 0.23 0.00 0.00 176.35 176.13 3mfj s ILE 106 N -0.90 1.31 -0.10 -0.59 1.01 0.10 -0.32 121.20 121.70 3mfj s ILE 106 Ca 0.15 -0.52 -0.10 0.00 0.00 0.00 0.00 60.65 60.17 3mfj s ILE 106 Cb -0.11 -1.22 -0.05 0.00 0.01 0.00 0.00 42.46 41.09 3mfj s ILE 106 CO 0.05 0.40 0.24 -0.75 0.00 0.00 0.00 174.94 174.88 3mfj s LYS 107 N 1.09 3.75 0.26 2.79 2.20 -0.16 -0.81 119.74 128.85 3mfj s LYS 107 Ca -0.05 0.05 -0.22 0.00 -0.36 0.00 0.00 55.97 55.39 3mfj s LYS 107 Cb -0.14 -3.25 -0.09 0.00 -1.51 0.00 0.00 37.83 32.84 3mfj s LYS 107 CO -0.02 0.64 0.80 -0.51 -0.36 0.00 0.00 175.35 175.90 3mfj s LEU 108 N -0.73 4.35 0.44 5.43 1.43 0.25 -0.57 118.68 129.28 3mfj s LEU 108 Ca 0.17 1.57 0.17 0.00 -1.03 0.00 0.00 54.13 55.02 3mfj s LEU 108 Cb -0.13 -3.73 1.03 0.00 0.03 0.00 0.00 46.19 43.38 3mfj s LEU 108 CO 0.06 0.00 1.96 0.11 0.23 0.00 0.00 176.35 178.71 3mfj h LYS 109 N 3.36 0.00 -4.19 1.70 1.57 -1.32 -3.42 116.57 114.27 3mfj h LYS 109 Ca -0.47 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.14 3mfj h LYS 109 Cb 1.19 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.32 3mfj h LYS 109 CO 0.65 0.22 -0.69 -1.54 -0.57 0.00 0.00 179.45 177.52 3mfj s SER 110 N -6.76 0.47 0.28 0.86 1.04 -1.26 -5.00 113.70 103.33 3mfj s SER 110 Ca -0.03 -0.75 -0.29 0.00 0.48 0.00 0.00 55.95 55.36 3mfj s SER 110 Cb 0.15 0.13 -0.10 0.00 0.10 0.00 0.00 66.02 66.30 3mfj s SER 110 CO 0.68 -0.42 1.16 0.00 0.98 0.00 0.00 173.24 175.63 3mfj s ALA 111 N -2.61 3.43 0.59 5.32 0.00 -1.26 -4.86 121.76 122.37 3mfj s ALA 111 Ca -0.04 0.99 -0.19 0.00 0.00 0.00 0.00 51.96 52.72 3mfj s ALA 111 Cb -0.02 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 3mfj s ALA 111 CO -0.05 -0.29 1.20 0.00 0.00 0.00 0.00 175.76 176.62 3mfj s ALA 112 N -1.06 2.55 -0.48 0.00 0.00 0.55 -4.98 121.76 118.34 3mfj s ALA 112 Ca 0.46 0.99 -0.23 0.00 0.00 0.00 0.00 51.96 53.18 3mfj s ALA 112 Cb -0.34 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.37 3mfj s ALA 112 CO 0.43 -1.14 0.82 -1.12 0.00 0.00 0.00 175.76 174.75 3mfj s SER 113 N -1.63 6.38 0.23 0.00 0.01 -1.26 -4.86 113.70 112.58 3mfj s SER 113 Ca 0.77 -0.24 -0.29 0.00 1.31 0.00 0.00 55.95 57.50 3mfj s SER 113 Cb -0.30 -2.39 -0.09 0.00 0.21 0.00 0.00 66.02 63.45 3mfj s SER 113 CO 0.33 -1.01 0.91 -0.76 0.41 0.00 0.00 173.24 173.12 3mfj s LEU 114 N 3.44 4.61 0.00 2.44 1.43 -1.26 -4.82 118.68 124.51 3mfj s LEU 114 Ca 0.29 1.88 -0.02 0.00 -1.03 0.00 0.00 54.13 55.25 3mfj s LEU 114 Cb -0.13 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.51 3mfj s LEU 114 CO 0.21 0.15 0.12 -0.46 0.23 0.00 0.00 176.35 176.60 3mfj n ASN 115 N 1.41 -0.36 0.27 2.29 0.23 0.09 -4.99 115.26 114.21 3mfj n ASN 115 Ca -0.02 -1.28 0.14 0.00 -0.53 0.00 0.00 54.58 52.89 3mfj n ASN 115 Cb 0.48 0.61 0.76 0.00 -2.08 0.00 0.00 39.78 39.54 3mfj n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3mfj h SER 116 N 0.33 0.00 0.00 0.53 4.64 -2.00 -2.94 113.55 114.11 3mfj h SER 116 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3mfj h SER 116 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3mfj h SER 116 CO 0.07 0.10 -0.89 0.54 -0.87 0.00 0.00 176.83 175.78 3mfj n ARG 117 N -3.59 0.83 -3.64 4.77 1.74 -1.26 -4.79 116.66 110.72 3mfj n ARG 117 Ca -0.02 -0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.77 3mfj n ARG 117 Cb 0.23 -1.38 -0.15 0.00 -1.02 0.00 0.00 32.46 30.13 3mfj n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3mfj s VAL 118 N -2.77 0.34 -0.02 1.55 1.01 -1.11 -4.43 120.40 114.98 3mfj s VAL 118 Ca 0.07 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 61.04 3mfj s VAL 118 Cb 0.14 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 35.32 3mfj s VAL 118 CO 0.77 -0.62 0.18 0.00 0.00 0.00 0.00 175.10 175.42 3mfj s ALA 119 N 1.90 -0.43 0.62 5.51 0.00 -0.77 -0.73 121.76 127.86 3mfj s ALA 119 Ca 0.08 0.10 -0.14 0.00 0.00 0.00 0.00 51.96 52.00 3mfj s ALA 119 Cb -0.17 0.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 3mfj s ALA 119 CO -0.28 -0.19 1.05 -1.12 0.00 0.00 0.00 175.76 175.22 3mfj s SER 120 N -1.03 5.79 -0.08 0.00 0.01 -1.26 -2.82 113.70 114.32 3mfj s SER 120 Ca -0.11 1.67 0.00 0.00 1.31 0.00 0.00 55.95 58.82 3mfj s SER 120 Cb -0.06 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 3mfj s SER 120 CO 0.02 -1.16 -0.06 -0.51 0.41 0.00 0.00 173.24 171.93 3mfj s ILE 121 N -2.76 3.73 0.43 1.44 1.10 -0.18 -4.85 121.20 120.11 3mfj s ILE 121 Ca 0.60 -0.46 -0.24 0.00 -0.51 0.00 0.00 60.65 60.03 3mfj s ILE 121 Cb -0.14 -2.54 -0.08 0.00 0.15 0.00 0.00 42.46 39.85 3mfj s ILE 121 CO 0.44 0.59 1.22 -0.55 -2.11 0.00 0.00 174.94 174.53 3mfj s SER 122 N -0.66 6.26 0.56 4.50 0.15 -1.26 -4.61 113.70 118.64 3mfj s SER 122 Ca 0.10 2.45 -0.16 0.00 0.70 0.00 0.00 55.95 59.04 3mfj s SER 122 Cb -0.11 -2.62 -0.06 0.00 -1.71 0.00 0.00 66.02 61.52 3mfj s SER 122 CO 0.02 -0.86 1.02 -0.76 1.20 0.00 0.00 173.24 173.86 3mfj s LEU 123 N -2.71 3.56 0.54 3.45 1.43 -1.26 -0.89 118.68 122.80 3mfj s LEU 123 Ca 0.60 1.71 -0.19 0.00 -1.03 0.00 0.00 54.13 55.22 3mfj s LEU 123 Cb -0.33 -4.52 -0.06 0.00 0.03 0.00 0.00 46.19 41.31 3mfj s LEU 123 CO 0.41 -0.89 1.09 -2.16 0.23 0.00 0.00 176.35 175.03 3mfj s PRO 124 N -4.06 3.46 0.02 1.29 0.04 -1.26 -4.77 135.00 129.72 3mfj s PRO 124 Ca 0.61 1.47 0.13 0.00 0.04 0.00 0.00 61.00 63.26 3mfj s PRO 124 Cb -0.13 -2.03 -0.19 0.00 0.04 0.00 0.00 34.50 32.18 3mfj s PRO 124 CO 0.34 -0.74 0.85 1.15 0.04 0.00 0.00 177.00 178.64 3mfj h THR 125 N 1.16 0.93 -3.41 1.26 2.02 -1.97 -3.49 112.91 109.41 3mfj h THR 125 Ca -0.49 -2.67 -0.05 0.00 0.77 0.00 0.00 66.41 63.97 3mfj h THR 125 Cb 1.24 2.42 -0.13 0.00 -1.74 0.00 0.00 68.15 69.95 3mfj h THR 125 CO 0.57 0.53 -0.07 -0.94 0.37 0.00 0.00 175.52 175.98 3mfj s SER 127 N -6.16 -0.22 0.53 4.18 1.04 -1.26 -5.15 113.70 106.66 3mfj s SER 127 Ca -0.03 -0.37 -0.20 0.00 0.48 0.00 0.00 55.95 55.83 3mfj s SER 127 Cb 0.08 0.48 -0.06 0.00 0.10 0.00 0.00 66.02 66.63 3mfj s SER 127 CO 0.82 -0.88 1.15 0.00 0.98 0.00 0.00 173.24 175.30 3mfj s ALA 129 N -1.71 2.98 0.10 0.00 0.00 -1.26 -5.09 121.76 116.78 3mfj s ALA 129 Ca 0.71 -0.35 0.06 0.00 0.00 0.00 0.00 51.96 52.38 3mfj s ALA 129 Cb -0.25 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 3mfj s ALA 129 CO 0.29 -1.03 -0.03 -1.12 0.00 0.00 0.00 175.76 173.88 3mfj s SER 130 N -4.32 4.84 0.31 0.00 0.01 -1.26 -5.07 113.70 108.21 3mfj s SER 130 Ca 0.57 -0.24 -0.28 0.00 1.31 0.00 0.00 55.95 57.30 3mfj s SER 130 Cb -0.11 -1.09 -0.13 0.00 0.21 0.00 0.00 66.02 64.90 3mfj s SER 130 CO 0.51 0.17 1.17 0.00 0.41 0.00 0.00 173.24 175.51 3mfj n ALA 132 N 0.58 0.60 0.00 1.44 0.00 -1.26 -1.71 120.51 120.15 3mfj n ALA 132 Ca -0.11 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3mfj n ALA 132 Cb 0.52 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.82 3mfj n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mfj n GLY 133 N 1.04 2.99 3.75 0.00 0.00 0.30 -4.97 105.19 108.31 3mfj n GLY 133 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 3mfj n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mfj s THR 134 N -2.65 2.75 0.09 2.61 2.01 -0.70 -4.69 115.64 115.07 3mfj s THR 134 Ca 0.00 0.67 -0.28 0.00 0.31 0.00 0.00 61.69 62.39 3mfj s THR 134 Cb 0.00 -3.43 -0.06 0.00 0.01 0.00 0.00 72.50 69.02 3mfj s THR 134 CO 0.00 0.13 0.89 -1.10 -0.69 0.00 0.00 174.62 173.85 3mfj s GLN 135 N -0.85 4.63 0.23 4.92 -1.52 -1.26 -1.37 119.66 124.44 3mfj s GLN 135 Ca 0.55 1.32 0.03 0.00 -1.95 0.00 0.00 55.36 55.32 3mfj s GLN 135 Cb -0.40 -3.37 -0.05 0.00 -0.22 0.00 0.00 33.01 28.96 3mfj s GLN 135 CO 0.46 0.24 -0.00 0.00 -0.25 0.00 0.00 175.29 175.74 3mfj s LEU 137 N -3.30 2.87 -0.06 0.00 2.96 0.67 -1.21 118.68 120.61 3mfj s LEU 137 Ca 0.28 -0.35 0.04 0.00 -0.22 0.00 0.00 54.13 53.88 3mfj s LEU 137 Cb 0.06 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 45.02 3mfj s LEU 137 CO 0.08 0.05 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.36 3mfj s ILE 138 N 1.06 2.75 0.05 6.68 1.01 0.04 -1.26 121.20 131.53 3mfj s ILE 138 Ca 0.00 -0.83 -0.08 0.00 0.00 0.00 0.00 60.65 59.75 3mfj s ILE 138 Cb -0.15 -2.06 -0.00 0.00 0.01 0.00 0.00 42.46 40.26 3mfj s ILE 138 CO -0.01 0.58 0.16 -0.94 0.00 0.00 0.00 174.94 174.73 3mfj s SER 139 N -0.45 0.10 0.00 3.58 1.04 -1.20 -0.59 113.70 116.18 3mfj s SER 139 Ca 0.05 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.00 3mfj s SER 139 Cb -0.12 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.28 3mfj s SER 139 CO 0.02 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.27 3mfj n GLY 140 N 0.55 -0.47 1.38 7.32 0.00 -0.41 -4.36 105.19 109.19 3mfj n GLY 140 Ca -0.18 -1.15 0.05 0.00 0.00 0.00 0.00 46.02 44.74 3mfj n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3mfj n TRP 141 N -0.59 1.53 -1.73 1.61 8.01 -1.26 -1.85 117.44 123.16 3mfj n TRP 141 Ca 0.00 -0.95 -0.29 0.00 -1.31 0.00 0.00 57.50 54.95 3mfj n TRP 141 Cb 0.00 -0.45 0.21 0.00 -2.01 0.00 0.00 31.31 29.06 3mfj n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3mfj n GLY 142 N -0.19 -1.74 3.66 6.99 0.00 -1.25 -4.52 105.19 108.15 3mfj n GLY 142 Ca 0.27 -1.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.19 3mfj n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3mfj n ASN 143 N -4.03 2.32 -0.90 1.61 5.15 0.17 -3.03 115.26 116.56 3mfj n ASN 143 Ca 0.16 1.19 0.10 0.00 -0.60 0.00 0.00 54.58 55.43 3mfj n ASN 143 Cb 0.56 -1.42 0.14 0.00 -0.53 0.00 0.00 39.78 38.53 3mfj n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3mfj n THR 144 N 0.44 0.30 -4.68 -0.44 -2.24 -0.37 -1.08 114.28 106.22 3mfj n THR 144 Ca 0.07 -0.65 -0.31 0.00 -2.27 0.00 0.00 64.05 60.88 3mfj n THR 144 Cb 0.34 1.14 -0.12 0.00 -2.10 0.00 0.00 70.33 69.59 3mfj n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3mfj s LYS 145 N -1.45 2.24 0.19 -0.78 -0.14 -1.26 -4.43 119.74 114.10 3mfj s LYS 145 Ca 0.29 -0.88 0.23 0.00 -1.36 0.00 0.00 55.97 54.24 3mfj s LYS 145 Cb 0.18 -2.28 0.12 0.00 -1.68 0.00 0.00 37.83 34.17 3mfj s LYS 145 CO 0.26 0.57 1.15 0.66 -0.76 0.00 0.00 175.35 177.23 3mfj h SER 146 N 4.69 0.00 -3.19 2.83 4.64 -1.93 -3.44 113.55 117.15 3mfj h SER 146 Ca -0.47 -0.08 -0.52 0.00 -0.47 0.00 0.00 61.79 60.25 3mfj h SER 146 Cb 1.16 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.88 3mfj h SER 146 CO 0.49 0.04 -0.80 -0.44 -0.87 0.00 0.00 176.83 175.25 3mfj s SER 147 N -5.03 2.11 0.00 4.97 0.01 -1.26 -4.68 113.70 109.82 3mfj s SER 147 Ca 0.02 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.00 3mfj s SER 147 Cb 0.11 -0.80 0.00 0.00 0.21 0.00 0.00 66.02 65.54 3mfj s SER 147 CO 0.76 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.90 3mfj n GLY 148 N 4.94 0.07 2.89 3.44 0.00 -1.26 -4.97 105.19 110.29 3mfj n GLY 148 Ca -0.12 -1.95 -0.14 0.00 0.00 0.00 0.00 46.02 43.81 3mfj n GLY 148 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mfj s THR 149 N -1.20 -0.06 -0.22 2.61 -4.23 -1.26 -4.61 115.64 106.66 3mfj s THR 149 Ca 0.00 0.20 -0.08 0.00 -1.18 0.00 0.00 61.69 60.63 3mfj s THR 149 Cb 0.00 -0.22 0.10 0.00 1.34 0.00 0.00 72.50 73.72 3mfj s THR 149 CO 0.00 0.08 0.47 -0.55 -0.54 0.00 0.00 174.62 174.08 3mfj s SER 150 N 1.23 -0.47 -0.14 3.99 0.15 -1.26 -4.98 113.70 112.23 3mfj s SER 150 Ca -0.08 1.11 -0.11 0.00 0.70 0.00 0.00 55.95 57.57 3mfj s SER 150 Cb -0.12 1.49 -0.05 0.00 -1.71 0.00 0.00 66.02 65.63 3mfj s SER 150 CO -0.05 -0.23 0.21 -0.31 1.20 0.00 0.00 173.24 174.06 3mfj s TYR 151 N 2.54 3.52 -0.38 3.44 1.51 -1.26 -1.23 117.35 125.49 3mfj s TYR 151 Ca -0.03 0.54 0.23 0.00 -1.01 0.00 0.00 57.07 56.80 3mfj s TYR 151 Cb -0.11 -2.15 0.19 0.00 -0.11 0.00 0.00 41.96 39.77 3mfj s TYR 151 CO -0.14 0.46 1.28 -1.00 -1.11 0.00 0.00 175.55 175.04 3mfj h PRO 152 N 5.91 0.00 0.00 -1.71 0.13 -1.79 -3.49 132.00 131.05 3mfj h PRO 152 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3mfj h PRO 152 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3mfj h PRO 152 CO 0.69 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.21 3mfj n ASP 153 N -2.70 0.00 -4.90 1.44 8.00 -1.26 -4.90 116.55 112.23 3mfj n ASP 153 Ca 0.02 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.24 3mfj n ASP 153 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.61 3mfj n ASP 153 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3mfj s VAL 154 N 0.00 4.89 0.23 2.53 -7.23 -1.26 -1.45 120.40 118.11 3mfj s VAL 154 Ca 0.00 0.29 -0.30 0.00 -1.81 0.00 0.00 61.98 60.16 3mfj s VAL 154 Cb 0.00 -3.83 -0.09 0.00 0.56 0.00 0.00 36.38 33.02 3mfj s VAL 154 CO 0.00 -0.77 1.24 -0.22 -0.31 0.00 0.00 175.10 175.05 3mfj s LEU 155 N -4.52 4.45 0.16 1.32 2.96 -1.23 -4.82 118.68 116.99 3mfj s LEU 155 Ca 0.48 2.39 0.07 0.00 -0.22 0.00 0.00 54.13 56.85 3mfj s LEU 155 Cb -0.10 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 3mfj s LEU 155 CO 0.42 -0.42 -0.02 -0.54 -1.32 0.00 0.00 176.35 174.46 3mfj s LYS 156 N -0.67 2.36 0.07 1.98 -0.14 -0.77 -1.94 119.74 120.63 3mfj s LYS 156 Ca 0.52 -1.09 0.03 0.00 -1.36 0.00 0.00 55.97 54.07 3mfj s LYS 156 Cb -0.35 -2.35 -0.03 0.00 -1.68 0.00 0.00 37.83 33.42 3mfj s LYS 156 CO 0.41 0.47 -0.09 0.00 -0.76 0.00 0.00 175.35 175.38 3mfj s LEU 158 N -2.14 0.27 -0.13 0.00 2.96 0.24 -0.75 118.68 119.13 3mfj s LEU 158 Ca -0.01 0.56 -0.19 0.00 -0.22 0.00 0.00 54.13 54.27 3mfj s LEU 158 Cb -0.05 0.76 -0.04 0.00 0.50 0.00 0.00 46.19 47.37 3mfj s LEU 158 CO -0.01 -0.18 0.50 -0.54 -1.32 0.00 0.00 176.35 174.81 3mfj s LYS 159 N 1.45 4.31 -0.03 1.98 1.02 -1.26 -0.78 119.74 126.44 3mfj s LYS 159 Ca -0.08 0.47 -0.17 0.00 0.02 0.00 0.00 55.97 56.22 3mfj s LYS 159 Cb -0.11 -3.47 0.03 0.00 -0.52 0.00 0.00 37.83 33.77 3mfj s LYS 159 CO -0.09 0.08 0.36 0.00 -0.92 0.00 0.00 175.35 174.78 3mfj s ALA 160 N 0.88 -0.92 0.26 5.17 0.00 -0.35 -4.96 121.76 121.84 3mfj s ALA 160 Ca 0.26 0.51 -0.11 0.00 0.00 0.00 0.00 51.96 52.62 3mfj s ALA 160 Cb -0.15 0.01 -0.08 0.00 0.00 0.00 0.00 23.12 22.90 3mfj s ALA 160 CO 0.11 -0.27 0.60 -1.25 0.00 0.00 0.00 175.76 174.95 3mfj s PRO 161 N -1.19 3.84 0.27 0.00 0.04 -1.26 -0.67 135.00 136.03 3mfj s PRO 161 Ca -0.12 0.36 -0.29 0.00 0.04 0.00 0.00 61.00 60.98 3mfj s PRO 161 Cb -0.04 -2.59 -0.10 0.00 0.04 0.00 0.00 34.50 31.81 3mfj s PRO 161 CO 0.05 0.27 1.32 0.42 0.04 0.00 0.00 177.00 179.09 3mfj s ILE 162 N -1.88 2.92 0.23 0.56 1.01 -0.47 -1.34 121.20 122.23 3mfj s ILE 162 Ca 0.49 0.83 0.01 0.00 0.00 0.00 0.00 60.65 61.98 3mfj s ILE 162 Cb -0.11 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 3mfj s ILE 162 CO 0.21 0.16 0.41 -0.76 0.00 0.00 0.00 174.94 174.96 3mfj s LEU 163 N -0.93 4.21 0.58 2.97 1.43 0.07 -0.54 118.68 126.48 3mfj s LEU 163 Ca 0.53 0.33 -0.20 0.00 -1.03 0.00 0.00 54.13 53.76 3mfj s LEU 163 Cb -0.39 -3.12 -0.03 0.00 0.03 0.00 0.00 46.19 42.68 3mfj s LEU 163 CO 0.45 -0.09 1.34 -0.94 0.23 0.00 0.00 176.35 177.35 3mfj s SER 164 N -3.49 5.01 0.31 2.29 1.04 -1.26 -4.58 113.70 113.02 3mfj s SER 164 Ca 0.38 2.73 0.02 0.00 0.48 0.00 0.00 55.95 59.56 3mfj s SER 164 Cb -0.10 -2.63 0.57 0.00 0.10 0.00 0.00 66.02 63.95 3mfj s SER 164 CO 0.30 -1.74 1.92 0.44 0.98 0.00 0.00 173.24 175.14 3mfj h ASP 165 N 1.13 0.86 -0.54 7.02 3.32 -1.97 -1.01 116.42 125.24 3mfj h ASP 165 Ca -0.51 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.43 3mfj h ASP 165 Cb 1.31 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 3mfj h ASP 165 CO 0.56 0.55 -0.13 0.77 -1.72 0.00 0.00 179.24 179.27 3mfj h SER 166 N 0.98 1.04 -0.22 6.45 4.64 -1.99 0.20 113.55 124.64 3mfj h SER 166 Ca 0.38 -0.36 -0.08 0.00 -0.47 0.00 0.00 61.79 61.26 3mfj h SER 166 Cb 0.22 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 3mfj h SER 166 CO -0.14 1.16 -0.13 0.77 -0.87 0.00 0.00 176.83 177.61 3mfj h SER 167 N 0.91 0.62 0.03 4.97 4.64 -1.81 -0.90 113.55 122.01 3mfj h SER 167 Ca 0.14 -0.18 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3mfj h SER 167 Cb 0.70 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3mfj h SER 167 CO 0.05 0.78 -0.01 0.00 -0.87 0.00 0.00 176.83 176.78 3mfj h LYS 169 N -0.24 1.18 -0.25 0.00 1.57 -0.88 -2.08 116.57 115.86 3mfj h LYS 169 Ca -0.00 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.57 3mfj h LYS 169 Cb 0.22 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3mfj h LYS 169 CO 0.01 0.86 -0.17 1.03 -0.57 0.00 0.00 179.45 180.61 3mfj h SER 170 N 1.19 0.43 0.09 0.86 0.87 -1.02 -2.75 113.55 113.21 3mfj h SER 170 Ca 0.30 -0.12 -0.11 0.00 -1.23 0.00 0.00 61.79 60.63 3mfj h SER 170 Cb 0.02 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 3mfj h SER 170 CO -0.05 0.62 -0.38 0.00 -0.53 0.00 0.00 176.83 176.50 3mfj h ALA 171 N 1.42 1.02 -2.25 6.23 0.00 -0.63 -3.37 119.26 121.68 3mfj h ALA 171 Ca 0.07 -0.41 -0.59 0.00 0.00 0.00 0.00 54.91 53.99 3mfj h ALA 171 Cb 0.53 -0.10 -0.40 0.00 0.00 0.00 0.00 17.79 17.82 3mfj h ALA 171 CO 0.03 0.60 -0.84 0.66 0.00 0.00 0.00 179.25 179.70 3mfj n TYR 172 N -4.04 1.43 -1.67 0.00 4.01 -0.84 -4.90 117.16 111.15 3mfj n TYR 172 Ca -0.01 -3.83 -0.45 0.00 -0.16 0.00 0.00 57.90 53.45 3mfj n TYR 172 Cb 0.48 -0.37 -0.03 0.00 -0.31 0.00 0.00 39.34 39.11 3mfj n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3mfj n PRO 173 N 1.47 2.04 -0.97 -0.72 -0.02 -1.06 -2.14 135.00 133.60 3mfj n PRO 173 Ca 0.25 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 3mfj n PRO 173 Cb 0.46 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3mfj n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mfj n GLY 174 N 2.08 0.37 0.00 -1.23 0.00 -1.26 -4.84 105.19 100.30 3mfj n GLY 174 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3mfj n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3mfj n GLN 175 N -1.61 1.45 -3.40 1.61 6.02 -0.91 -5.00 117.38 115.53 3mfj n GLN 175 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.60 3mfj n GLN 175 Cb 0.15 -0.88 -0.09 0.00 1.02 0.00 0.00 30.24 30.44 3mfj n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3mfj s ILE 176 N -1.73 5.18 0.57 5.09 -1.09 -1.25 -5.02 121.20 122.96 3mfj s ILE 176 Ca 0.00 0.42 0.05 0.00 -2.23 0.00 0.00 60.65 58.88 3mfj s ILE 176 Cb 0.00 -3.72 0.07 0.00 -1.58 0.00 0.00 42.46 37.23 3mfj s ILE 176 CO 0.00 0.10 0.79 0.42 -1.23 0.00 0.00 174.94 175.02 3mfj s THR 177 N 2.05 2.45 -1.25 2.92 -4.23 -1.26 -4.98 115.64 111.34 3mfj s THR 177 Ca 0.14 -0.81 0.12 0.00 -1.18 0.00 0.00 61.69 59.96 3mfj s THR 177 Cb -0.16 -2.64 0.16 0.00 1.34 0.00 0.00 72.50 71.20 3mfj s THR 177 CO 0.11 0.00 1.32 -1.54 -0.54 0.00 0.00 174.62 173.97 3mfj n SER 178 N -2.34 0.00 -1.62 3.99 3.41 -1.26 -2.04 113.62 113.77 3mfj n SER 178 Ca 0.12 0.27 0.09 0.00 -0.26 0.00 0.00 58.87 59.10 3mfj n SER 178 Cb 0.60 -0.37 0.36 0.00 -0.26 0.00 0.00 64.21 64.54 3mfj n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3mfj n ASN 179 N -1.37 4.81 -4.14 4.04 3.02 -1.26 -4.93 115.26 115.42 3mfj n ASN 179 Ca 0.04 -2.48 -0.15 0.00 -0.03 0.00 0.00 54.58 51.97 3mfj n ASN 179 Cb 0.11 -0.59 -0.11 0.00 -0.61 0.00 0.00 39.78 38.58 3mfj n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3mfj s MET 180 N -1.92 0.75 0.05 3.52 -1.94 -0.86 -1.12 119.30 117.79 3mfj s MET 180 Ca 0.51 -0.99 -0.02 0.00 -1.71 0.00 0.00 55.69 53.48 3mfj s MET 180 Cb 0.33 -0.55 -0.04 0.00 2.01 0.00 0.00 34.83 36.59 3mfj s MET 180 CO 0.24 0.10 -0.00 -0.59 -0.01 0.00 0.00 175.02 174.76 3mfj s PHE 181 N -1.81 0.47 0.05 -0.03 -0.12 -0.29 -4.79 117.98 111.46 3mfj s PHE 181 Ca -0.01 -1.01 0.00 0.00 -0.05 0.00 0.00 56.93 55.87 3mfj s PHE 181 Cb -0.07 -0.35 -0.04 0.00 -0.63 0.00 0.00 43.02 41.93 3mfj s PHE 181 CO 0.01 -0.40 0.16 0.00 -0.05 0.00 0.00 175.22 174.93 3mfj s ALA 183 N -1.41 -0.60 0.00 0.00 0.00 -0.69 -0.75 121.76 118.31 3mfj s ALA 183 Ca 0.31 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.35 3mfj s ALA 183 Cb -0.13 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.14 3mfj s ALA 183 CO 0.23 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.12 3mfj n GLY 184 N 1.13 0.31 2.64 0.00 0.00 -0.45 -2.60 105.19 106.22 3mfj n GLY 184 Ca -0.21 -1.69 -0.24 0.00 0.00 0.00 0.00 46.02 43.88 3mfj n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mfj s TYR 184 N -1.81 0.13 0.57 1.61 2.02 -1.26 -4.32 117.35 114.29 3mfj s TYR 184 Ca 0.00 -0.16 0.33 0.00 -0.37 0.00 0.00 57.07 56.87 3mfj s TYR 184 Cb 0.00 -0.62 1.89 0.00 -0.40 0.00 0.00 41.96 42.83 3mfj s TYR 184 CO 0.00 -0.46 2.25 -0.07 -1.57 0.00 0.00 175.55 175.70 3mfj h LEU 185 N 8.41 0.00 -0.48 -1.29 3.38 -1.95 -2.06 115.31 121.32 3mfj h LEU 185 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3mfj h LEU 185 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3mfj h LEU 185 CO 0.26 0.02 0.00 -1.84 0.09 0.00 0.00 178.44 176.97 3mfj n GLU 186 N -3.63 0.15 0.00 1.13 0.00 -1.26 -0.38 120.64 116.64 3mfj n GLU 186 Ca -0.03 0.36 0.00 0.00 0.00 0.00 0.00 57.16 57.49 3mfj n GLU 186 Cb 0.11 -1.78 0.00 0.00 0.00 0.00 0.00 31.44 29.77 3mfj n GLU 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3mfj n GLY 187 N 0.12 -0.47 0.70 -1.84 0.00 -0.78 -4.48 105.19 98.44 3mfj n GLY 187 Ca 0.03 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.28 3mfj n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mfj n GLY 188 N -0.50 2.49 2.66 -0.02 0.00 -0.18 -4.96 105.19 104.68 3mfj n GLY 188 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3mfj n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mfj s LYS 188 N -0.81 -0.00 0.08 1.61 1.02 -1.26 -3.73 119.74 116.65 3mfj s LYS 188 Ca 0.00 0.21 -0.27 0.00 0.02 0.00 0.00 55.97 55.93 3mfj s LYS 188 Cb 0.00 -1.04 0.08 0.00 -0.52 0.00 0.00 37.83 36.35 3mfj s LYS 188 CO 0.00 -0.48 1.00 0.34 -0.92 0.00 0.00 175.35 175.29 3mfj s ASP 189 N 2.18 -0.20 0.85 2.83 2.15 -0.53 -4.31 116.67 119.64 3mfj s ASP 189 Ca 0.04 -0.26 -0.13 0.00 0.43 0.00 0.00 52.55 52.63 3mfj s ASP 189 Cb -0.14 0.41 0.11 0.00 -0.30 0.00 0.00 42.92 43.00 3mfj s ASP 189 CO -0.06 -0.73 1.21 -0.94 -0.17 0.00 0.00 175.17 174.48 3mfj s SER 190 N -2.81 4.13 0.37 -0.34 1.04 -1.26 -0.32 113.70 114.51 3mfj s SER 190 Ca 0.11 0.67 -0.11 0.00 0.48 0.00 0.00 55.95 57.10 3mfj s SER 190 Cb -0.00 -1.06 0.04 0.00 0.10 0.00 0.00 66.02 65.10 3mfj s SER 190 CO -0.02 -2.13 0.69 0.00 0.98 0.00 0.00 173.24 172.76 3mfj n GLN 192 N -0.52 1.58 0.00 0.00 0.00 -1.26 -1.05 117.38 116.13 3mfj n GLN 192 Ca -0.06 0.56 0.00 0.00 -0.00 0.00 0.00 57.00 57.50 3mfj n GLN 192 Cb 0.57 -2.14 0.00 0.00 0.00 0.00 0.00 30.24 28.67 3mfj n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3mfj n GLY 193 N 2.11 2.01 0.07 1.69 0.00 -1.26 -0.66 105.19 109.14 3mfj n GLY 193 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 3mfj n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mfj n ASP 194 N 0.00 0.70 -4.59 1.61 8.00 -0.22 -3.76 116.55 118.29 3mfj n ASP 194 Ca 0.00 0.16 -0.43 0.00 0.71 0.00 0.00 54.79 55.23 3mfj n ASP 194 Cb 0.00 0.06 -0.00 0.00 -0.02 0.00 0.00 41.12 41.16 3mfj n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3mfj n SER 195 N -2.10 1.20 0.00 -2.24 7.64 -1.26 -1.61 113.62 115.24 3mfj n SER 195 Ca 0.04 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.03 3mfj n SER 195 Cb 0.43 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 3mfj n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mfj n GLY 196 N 1.23 2.82 3.93 0.23 0.00 -0.03 -0.48 105.19 112.90 3mfj n GLY 196 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 3mfj n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mfj s GLY 197 N -1.91 1.76 0.35 -0.02 0.00 -0.63 -3.21 107.32 103.67 3mfj s GLY 197 Ca 0.00 -1.18 -0.17 0.00 0.00 0.00 0.00 44.72 43.37 3mfj s GLY 197 CO 0.00 -0.45 0.80 2.56 0.00 0.00 0.00 173.10 176.02 3mfj s PRO 198 N -5.82 4.08 -0.25 2.90 0.04 -1.26 -1.09 135.00 133.61 3mfj s PRO 198 Ca 0.72 0.82 0.02 0.00 0.04 0.00 0.00 61.00 62.60 3mfj s PRO 198 Cb -0.05 -2.36 0.06 0.00 0.04 0.00 0.00 34.50 32.20 3mfj s PRO 198 CO 0.52 0.10 -0.07 0.08 0.04 0.00 0.00 177.00 177.67 3mfj s VAL 199 N -2.04 1.81 -0.11 -0.36 1.01 -0.32 -3.22 120.40 117.17 3mfj s VAL 199 Ca 0.56 -1.43 0.01 0.00 0.00 0.00 0.00 61.98 61.12 3mfj s VAL 199 Cb -0.10 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 3mfj s VAL 199 CO 0.16 -0.10 -0.15 -0.69 0.00 0.00 0.00 175.10 174.32 3mfj s VAL 200 N 1.26 2.85 -0.09 2.92 1.01 -0.39 -1.03 120.40 126.93 3mfj s VAL 200 Ca -0.06 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.17 3mfj s VAL 200 Cb -0.19 -2.17 0.02 0.00 0.00 0.00 0.00 36.38 34.04 3mfj s VAL 200 CO -0.06 0.54 -0.05 0.00 0.00 0.00 0.00 175.10 175.53 3mfj n SER 202 N 4.83 -4.84 -0.00 0.00 7.64 -1.26 -1.61 113.62 118.38 3mfj n SER 202 Ca -0.13 -0.52 -0.00 0.00 1.01 0.00 0.00 58.87 59.23 3mfj n SER 202 Cb 0.50 -3.91 -0.00 0.00 -1.01 0.00 0.00 64.21 59.79 3mfj n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mfj n GLY 203 N -1.49 0.47 3.25 0.23 0.00 -1.26 -5.03 105.19 101.36 3mfj n GLY 203 Ca -0.01 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 3mfj n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mfj s LYS 204 N -0.46 1.61 -0.63 1.61 -0.14 -0.63 -3.99 119.74 117.10 3mfj s LYS 204 Ca 0.00 -0.85 -0.28 0.00 -1.36 0.00 0.00 55.97 53.48 3mfj s LYS 204 Cb 0.00 -1.63 0.02 0.00 -1.68 0.00 0.00 37.83 34.54 3mfj s LYS 204 CO 0.00 0.44 1.29 -1.17 -0.76 0.00 0.00 175.35 175.15 3mfj s LEU 209 N -0.80 3.34 -0.09 3.17 2.96 -0.07 -1.06 118.68 126.14 3mfj s LEU 209 Ca 0.08 -0.03 0.20 0.00 -0.22 0.00 0.00 54.13 54.16 3mfj s LEU 209 Cb -0.09 -2.92 -0.29 0.00 0.50 0.00 0.00 46.19 43.39 3mfj s LEU 209 CO 0.00 -1.68 0.32 0.00 -1.32 0.00 0.00 176.35 173.68 3mfj n GLN 210 N 8.83 0.70 -4.08 1.98 1.13 -0.20 -4.14 117.38 121.59 3mfj n GLN 210 Ca 0.08 -0.13 -0.09 0.00 -1.94 0.00 0.00 57.00 54.92 3mfj n GLN 210 Cb 0.49 -1.50 -0.09 0.00 0.11 0.00 0.00 30.24 29.25 3mfj n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3mfj s GLY 211 N -4.75 0.72 -0.07 1.08 0.00 -0.78 -1.54 107.32 101.99 3mfj s GLY 211 Ca -0.08 -1.25 0.03 0.00 0.00 0.00 0.00 44.72 43.42 3mfj s GLY 211 CO 0.84 -1.22 -0.14 -0.42 0.00 0.00 0.00 173.10 172.16 3mfj s ILE 212 N -3.99 1.29 0.03 0.90 1.01 -1.02 -1.17 121.20 118.25 3mfj s ILE 212 Ca 0.18 -0.57 -0.31 0.00 0.00 0.00 0.00 60.65 59.94 3mfj s ILE 212 Cb 0.07 -1.16 -0.10 0.00 0.01 0.00 0.00 42.46 41.28 3mfj s ILE 212 CO -0.02 0.39 1.91 0.52 0.00 0.00 0.00 174.94 177.73 3mfj n VAL 213 N 3.72 0.60 0.04 2.92 0.31 -0.25 -1.24 118.33 124.43 3mfj n VAL 213 Ca -0.22 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 3mfj n VAL 213 Cb 0.52 -2.14 0.00 0.00 -0.91 0.00 0.00 33.84 31.31 3mfj n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3mfj n SER 214 N 6.71 0.66 -3.43 4.52 2.88 -0.96 -0.85 113.62 123.15 3mfj n SER 214 Ca 0.20 0.11 -0.07 0.00 -1.33 0.00 0.00 58.87 57.78 3mfj n SER 214 Cb 0.37 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 3mfj n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 3mfj s TRP 215 N -1.64 -0.03 -0.09 0.66 1.48 -0.67 -4.93 118.94 113.72 3mfj s TRP 215 Ca 0.00 -0.49 -0.33 0.00 -1.06 0.00 0.00 56.10 54.22 3mfj s TRP 215 Cb 0.00 0.75 0.15 0.00 -1.16 0.00 0.00 33.47 33.21 3mfj s TRP 215 CO 0.00 -1.30 1.42 0.20 -4.06 0.00 0.00 176.95 173.21 3mfj s GLY 216 N -3.03 -0.49 -0.46 3.67 0.00 -1.26 -0.62 107.32 105.13 3mfj s GLY 216 Ca 0.14 0.95 -0.22 0.00 0.00 0.00 0.00 44.72 45.59 3mfj s GLY 216 CO 0.08 0.18 0.73 -0.56 0.00 0.00 0.00 173.10 173.53 3mfj s SER 217 N -2.98 6.36 1.00 1.64 0.01 -1.26 -4.86 113.70 113.60 3mfj s SER 217 Ca 0.15 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.13 3mfj s SER 217 Cb 0.07 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.95 3mfj s SER 217 CO -0.06 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.31 3mfj n GLY 219 N 5.03 1.12 3.24 3.44 0.00 -1.26 -4.60 105.19 112.15 3mfj n GLY 219 Ca 0.00 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 3mfj n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mfj n ALA 221 N 2.15 -0.48 -2.14 0.00 0.00 -1.26 -4.63 120.51 114.14 3mfj n ALA 221 Ca -0.17 0.22 -0.34 0.00 0.00 0.00 0.00 53.44 53.15 3mfj n ALA 221 Cb 0.57 -2.06 -0.06 0.00 0.00 0.00 0.00 19.45 17.90 3mfj n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3mfj s GLN 221 N -4.52 4.09 0.26 0.00 -1.52 -1.26 -1.01 119.66 115.71 3mfj s GLN 221 Ca 0.00 0.73 -0.31 0.00 -1.95 0.00 0.00 55.36 53.83 3mfj s GLN 221 Cb 0.00 -2.64 -0.13 0.00 -0.22 0.00 0.00 33.01 30.02 3mfj s GLN 221 CO 0.00 0.27 1.45 1.17 -0.25 0.00 0.00 175.29 177.93 3mfj n LYS 222 N 0.12 2.22 -1.21 2.91 4.81 -1.26 -2.02 118.16 123.74 3mfj n LYS 222 Ca 0.01 0.79 -0.07 0.00 -0.87 0.00 0.00 58.31 58.17 3mfj n LYS 222 Cb 0.52 -2.48 -0.03 0.00 0.02 0.00 0.00 35.03 33.06 3mfj n LYS 222 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3mfj n ASN 223 N 2.07 -4.91 -3.35 3.14 5.03 0.48 -4.91 115.26 112.81 3mfj n ASN 223 Ca 0.10 0.18 -0.26 0.00 0.87 0.00 0.00 54.58 55.47 3mfj n ASN 223 Cb 0.33 -3.04 -0.09 0.00 -1.02 0.00 0.00 39.78 35.97 3mfj n ASN 223 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3mfj n LYS 224 N -1.39 0.93 -1.39 3.52 4.76 -0.86 -4.75 118.16 118.99 3mfj n LYS 224 Ca -0.07 -3.54 -0.29 0.00 -2.87 0.00 0.00 58.31 51.54 3mfj n LYS 224 Cb 0.41 -1.61 0.16 0.00 -1.84 0.00 0.00 35.03 32.15 3mfj n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3mfj s PRO 225 N -1.03 0.75 0.50 1.97 0.04 -1.26 -4.28 135.00 131.68 3mfj s PRO 225 Ca 0.34 0.34 -0.22 0.00 0.04 0.00 0.00 61.00 61.51 3mfj s PRO 225 Cb 0.11 -1.79 -0.07 0.00 0.04 0.00 0.00 34.50 32.79 3mfj s PRO 225 CO -0.13 -2.48 1.17 0.20 0.04 0.00 0.00 177.00 175.81 3mfj s GLY 226 N -3.82 2.74 -0.10 0.56 0.00 -1.07 -4.69 107.32 100.94 3mfj s GLY 226 Ca 0.65 0.93 0.02 0.00 0.00 0.00 0.00 44.72 46.32 3mfj s GLY 226 CO 0.55 1.36 -0.15 0.14 0.00 0.00 0.00 173.10 175.00 3mfj s VAL 227 N -1.60 2.94 0.02 1.40 1.01 0.21 -1.71 120.40 122.68 3mfj s VAL 227 Ca 0.68 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.97 3mfj s VAL 227 Cb -0.28 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 3mfj s VAL 227 CO 0.33 0.55 -0.13 -0.31 0.00 0.00 0.00 175.10 175.54 3mfj s TYR 228 N -0.04 1.17 0.19 5.22 2.02 0.44 -1.67 117.35 124.69 3mfj s TYR 228 Ca -0.04 -0.31 -0.30 0.00 -0.37 0.00 0.00 57.07 56.05 3mfj s TYR 228 Cb -0.14 -0.71 -0.08 0.00 -0.40 0.00 0.00 41.96 40.63 3mfj s TYR 228 CO 0.04 0.01 1.26 0.99 -1.57 0.00 0.00 175.55 176.29 3mfj s THR 229 N -0.69 3.35 -0.90 -0.71 2.01 -0.37 -1.14 115.64 117.19 3mfj s THR 229 Ca 0.02 1.12 -0.20 0.00 0.31 0.00 0.00 61.69 62.94 3mfj s THR 229 Cb -0.07 -3.72 0.11 0.00 0.01 0.00 0.00 72.50 68.83 3mfj s THR 229 CO 0.01 0.17 1.15 -0.75 -0.69 0.00 0.00 174.62 174.51 3mfj s LYS 230 N -0.19 3.52 0.36 4.92 2.20 -0.27 -2.42 119.74 127.85 3mfj s LYS 230 Ca 0.55 -1.51 0.05 0.00 -0.36 0.00 0.00 55.97 54.69 3mfj s LYS 230 Cb -0.35 -4.86 0.70 0.00 -1.51 0.00 0.00 37.83 31.81 3mfj s LYS 230 CO 0.38 -1.84 1.98 0.28 -0.36 0.00 0.00 175.35 175.78 3mfj h VAL 231 N 6.00 1.08 -0.21 4.02 2.07 -1.57 -2.01 116.25 125.62 3mfj h VAL 231 Ca 0.09 -0.27 0.06 0.00 0.82 0.00 0.00 66.70 67.40 3mfj h VAL 231 Cb 1.03 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3mfj h VAL 231 CO 1.17 0.14 0.22 0.00 0.02 0.00 0.00 177.57 179.12 3mfj n ASN 233 N -3.85 0.67 -0.42 0.00 3.02 -0.75 -3.46 115.26 110.46 3mfj n ASN 233 Ca 0.02 0.65 0.05 0.00 -0.03 0.00 0.00 54.58 55.28 3mfj n ASN 233 Cb 0.35 -0.80 0.05 0.00 -0.61 0.00 0.00 39.78 38.78 3mfj n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3mfj n TYR 234 N -2.23 0.06 -0.29 3.10 4.01 0.16 -4.70 117.16 117.27 3mfj n TYR 234 Ca 0.02 -0.07 -0.04 0.00 -0.16 0.00 0.00 57.90 57.66 3mfj n TYR 234 Cb 0.25 -0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.35 3mfj n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3mfj h VAL 235 N 1.94 1.20 -0.62 -0.72 2.07 -1.58 0.55 116.25 119.09 3mfj h VAL 235 Ca 0.00 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 3mfj h VAL 235 Cb 0.46 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 3mfj h VAL 235 CO 0.00 0.19 0.24 0.28 0.02 0.00 0.00 177.57 178.30 3mfj h SER 236 N 1.06 0.86 -0.50 0.57 0.02 -1.86 -0.29 113.55 113.41 3mfj h SER 236 Ca 0.29 -0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 3mfj h SER 236 Cb -0.11 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.18 3mfj h SER 236 CO -0.07 0.81 0.20 -0.25 -1.14 0.00 0.00 176.83 176.38 3mfj h TRP 237 N 0.87 0.76 0.07 3.45 7.01 -1.75 -0.93 115.95 125.43 3mfj h TRP 237 Ca 0.21 -0.06 -0.00 0.00 2.11 0.00 0.00 58.89 61.15 3mfj h TRP 237 Cb 0.22 -0.23 -0.00 0.00 -2.10 0.00 0.00 29.16 27.05 3mfj h TRP 237 CO 0.01 0.64 -0.05 0.82 -2.79 0.00 0.00 178.44 177.07 3mfj h ILE 238 N 0.67 0.88 -0.53 2.65 2.04 -0.61 -0.04 117.51 122.56 3mfj h ILE 238 Ca 0.17 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.99 3mfj h ILE 238 Cb 0.20 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 3mfj h ILE 238 CO -0.01 0.00 0.20 0.11 0.00 0.00 0.00 178.15 178.45 3mfj h LYS 239 N -0.13 0.80 -0.38 2.37 1.57 -0.91 -0.79 116.57 119.10 3mfj h LYS 239 Ca -0.00 -0.15 -0.14 0.00 -1.87 0.00 0.00 60.65 58.49 3mfj h LYS 239 Cb 0.11 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3mfj h LYS 239 CO -0.00 0.71 -0.31 1.96 -0.57 0.00 0.00 179.45 181.25 3mfj h GLN 240 N 0.72 0.83 -0.23 3.15 4.20 -1.07 -1.40 115.11 121.32 3mfj h GLN 240 Ca 0.18 -0.39 -0.02 0.00 0.06 0.00 0.00 58.65 58.48 3mfj h GLN 240 Cb 0.22 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 3mfj h GLN 240 CO -0.01 1.02 0.05 1.15 -0.67 0.00 0.00 178.83 180.37 3mfj h THR 241 N 0.70 1.21 -0.81 -0.54 2.02 -0.78 -2.81 112.91 111.90 3mfj h THR 241 Ca 0.08 -0.69 0.01 0.00 0.77 0.00 0.00 66.41 66.57 3mfj h THR 241 Cb 0.86 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 68.45 3mfj h THR 241 CO 0.08 0.22 0.53 0.40 0.37 0.00 0.00 175.52 177.12 3mfj h ILE 242 N 0.20 1.21 0.00 3.11 2.04 -1.05 -2.32 117.51 120.70 3mfj h ILE 242 Ca 0.07 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.54 3mfj h ILE 242 Cb 0.28 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 3mfj h ILE 242 CO 0.00 0.20 0.00 0.00 0.00 0.00 0.00 178.15 178.36 3mfj h ALA 243 N 1.29 1.00 -0.06 1.87 0.00 -1.00 -2.95 119.26 119.41 3mfj h ALA 243 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3mfj h ALA 243 Cb -0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3mfj h ALA 243 CO -0.06 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.62 3mfj n SER 244 N -3.05 1.96 0.00 0.00 7.64 -0.99 -5.09 113.62 114.08 3mfj n SER 244 Ca -0.02 -1.78 0.00 0.00 1.01 0.00 0.00 58.87 58.08 3mfj n SER 244 Cb 0.14 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 3mfj n SER 244 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62