#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tfx s VAL 17 N 0.00 5.41 0.00 1.39 1.01 0.83 -4.30 120.40 124.74 1tfx s VAL 17 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1tfx s VAL 17 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1tfx s VAL 17 CO 0.00 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1tfx n GLY 18 N 2.42 0.77 0.00 4.51 0.00 -1.24 -1.55 105.19 110.10 1tfx n GLY 18 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1tfx n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tfx n GLY 19 N -2.44 1.38 3.20 -0.02 0.00 -1.26 -4.90 105.19 101.16 1tfx n GLY 19 Ca 0.00 -1.97 -0.12 0.00 0.00 0.00 0.00 46.02 43.93 1tfx n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1tfx s TYR 20 N 1.45 1.05 0.18 1.61 1.13 -0.27 -4.94 117.35 117.56 1tfx s TYR 20 Ca 0.00 -0.89 -0.30 0.00 -1.41 0.00 0.00 57.07 54.47 1tfx s TYR 20 Cb 0.00 -0.58 -0.08 0.00 -1.10 0.00 0.00 41.96 40.20 1tfx s TYR 20 CO 0.00 -0.10 1.20 0.99 -2.51 0.00 0.00 175.55 175.13 1tfx s THR 21 N -3.55 3.56 0.62 -3.49 2.01 -1.26 -0.08 115.64 113.45 1tfx s THR 21 Ca 0.15 1.31 -0.14 0.00 0.31 0.00 0.00 61.69 63.32 1tfx s THR 21 Cb 0.05 -3.84 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 1tfx s THR 21 CO -0.02 0.21 1.05 0.00 -0.69 0.00 0.00 174.62 175.17 1tfx s ALA 23 N -2.70 3.36 -0.21 0.00 0.00 -1.26 -4.86 121.76 116.09 1tfx s ALA 23 Ca 0.61 0.97 -0.41 0.00 0.00 0.00 0.00 51.96 53.14 1tfx s ALA 23 Cb -0.15 -3.36 -0.17 0.00 0.00 0.00 0.00 23.12 19.44 1tfx s ALA 23 CO 0.43 -0.33 1.58 0.00 0.00 0.00 0.00 175.76 177.44 1tfx n ALA 24 N 0.82 -0.83 -1.60 0.00 0.00 -1.26 -0.61 120.51 117.03 1tfx n ALA 24 Ca 0.00 0.45 -0.19 0.00 0.00 0.00 0.00 53.44 53.71 1tfx n ALA 24 Cb 0.45 -2.11 -0.08 0.00 0.00 0.00 0.00 19.45 17.72 1tfx n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1tfx n ASN 25 N 4.21 -5.27 -0.09 0.00 4.13 -1.26 -4.88 115.26 112.11 1tfx n ASN 25 Ca 0.25 0.43 -0.06 0.00 1.68 0.00 0.00 54.58 56.87 1tfx n ASN 25 Cb 0.11 -4.41 0.11 0.00 -1.54 0.00 0.00 39.78 34.05 1tfx n ASN 25 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 1tfx h SER 26 N 0.00 0.77 -3.96 6.41 0.87 -1.22 -3.34 113.55 113.08 1tfx h SER 26 Ca -0.39 -0.25 -0.75 0.00 -1.23 0.00 0.00 61.79 59.18 1tfx h SER 26 Cb 1.23 -0.21 -0.30 0.00 -0.44 0.00 0.00 62.40 62.68 1tfx h SER 26 CO 0.56 0.93 -0.09 -0.63 -0.53 0.00 0.00 176.83 177.07 1tfx s ILE 27 N -4.74 4.81 0.15 2.23 -1.09 -1.26 -4.95 121.20 116.35 1tfx s ILE 27 Ca -0.09 -2.74 0.31 0.00 -2.23 0.00 0.00 60.65 55.90 1tfx s ILE 27 Cb 0.14 -4.02 0.35 0.00 -1.58 0.00 0.00 42.46 37.35 1tfx s ILE 27 CO 0.83 -0.97 1.97 -0.65 -1.23 0.00 0.00 174.94 174.88 1tfx h PRO 28 N 7.39 0.00 -0.01 2.79 0.11 -1.74 -3.04 132.00 137.49 1tfx h PRO 28 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1tfx h PRO 28 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1tfx h PRO 28 CO 0.74 0.06 -0.32 2.48 -0.21 0.00 0.00 178.00 180.75 1tfx n TYR 29 N -3.20 0.00 -2.30 0.65 0.18 -1.13 -1.22 117.16 110.14 1tfx n TYR 29 Ca 0.00 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.36 1tfx n TYR 29 Cb 0.32 -0.15 -0.03 0.00 -0.38 0.00 0.00 39.34 39.11 1tfx n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1tfx s GLN 30 N -2.62 4.37 0.20 -3.48 2.00 -1.15 -1.22 119.66 117.76 1tfx s GLN 30 Ca 0.21 1.91 0.09 0.00 -2.00 0.00 0.00 55.36 55.57 1tfx s GLN 30 Cb 0.19 -3.32 -0.04 0.00 0.80 0.00 0.00 33.01 30.63 1tfx s GLN 30 CO 0.57 -0.36 -0.17 0.14 -0.50 0.00 0.00 175.29 174.97 1tfx s VAL 31 N 1.17 1.87 -0.12 1.34 -7.23 -0.82 -4.44 120.40 112.17 1tfx s VAL 31 Ca 0.61 -2.10 0.03 0.00 -1.81 0.00 0.00 61.98 58.71 1tfx s VAL 31 Cb -0.33 -1.98 -0.00 0.00 0.56 0.00 0.00 36.38 34.63 1tfx s VAL 31 CO 0.29 -0.44 -0.21 -0.55 -0.31 0.00 0.00 175.10 173.88 1tfx s SER 32 N -3.04 3.31 -0.19 4.85 0.15 -0.67 -2.31 113.70 115.80 1tfx s SER 32 Ca 0.20 -0.52 -0.20 0.00 0.70 0.00 0.00 55.95 56.14 1tfx s SER 32 Cb -0.04 -1.47 -0.03 0.00 -1.71 0.00 0.00 66.02 62.78 1tfx s SER 32 CO 0.08 0.14 0.58 -0.76 1.20 0.00 0.00 173.24 174.47 1tfx s LEU 33 N 0.47 4.16 0.11 3.45 1.43 0.31 -0.63 118.68 127.98 1tfx s LEU 33 Ca -0.14 0.78 0.10 0.00 -1.03 0.00 0.00 54.13 53.83 1tfx s LEU 33 Cb -0.17 -2.81 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 1tfx s LEU 33 CO 0.06 -0.21 -0.25 0.21 0.23 0.00 0.00 176.35 176.39 1tfx s ASN 34 N 1.13 3.01 0.00 2.29 3.84 0.87 -2.05 114.94 124.03 1tfx s ASN 34 Ca 0.27 -0.71 0.03 0.00 0.21 0.00 0.00 52.86 52.66 1tfx s ASN 34 Cb -0.16 -0.20 0.06 0.00 -0.55 0.00 0.00 41.25 40.41 1tfx s ASN 34 CO 0.10 0.14 0.84 -1.54 -2.79 0.00 0.00 177.10 173.86 1tfx n SER 37 N 1.06 0.00 0.00 -4.21 3.41 -1.26 0.18 113.62 112.80 1tfx n SER 37 Ca -0.18 -1.63 0.00 0.00 -0.26 0.00 0.00 58.87 56.79 1tfx n SER 37 Cb 0.53 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 1tfx n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tfx n GLY 38 N 0.07 1.41 3.78 5.00 0.00 -1.26 -5.07 105.19 109.11 1tfx n GLY 38 Ca -0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 1tfx n GLY 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tfx s SER 39 N -0.08 -0.27 0.01 1.61 1.04 -1.26 -5.13 113.70 109.62 1tfx s SER 39 Ca 0.00 -0.48 -0.30 0.00 0.48 0.00 0.00 55.95 55.65 1tfx s SER 39 Cb 0.00 0.65 -0.07 0.00 0.10 0.00 0.00 66.02 66.70 1tfx s SER 39 CO 0.00 -1.18 1.65 -2.28 0.98 0.00 0.00 173.24 172.41 1tfx s HIS 40 N -3.72 2.22 0.00 5.02 2.46 -1.26 -4.28 115.29 115.72 1tfx s HIS 40 Ca 0.10 0.27 0.00 0.00 0.47 0.00 0.00 55.06 55.90 1tfx s HIS 40 Cb -0.04 -3.93 0.00 0.00 -0.13 0.00 0.00 32.58 28.48 1tfx s HIS 40 CO 0.03 -3.83 0.00 1.97 -2.47 0.00 0.00 174.74 170.45 1tfx n PHE 41 N 6.31 0.00 -3.99 3.88 -1.74 -0.87 -5.03 117.46 116.02 1tfx n PHE 41 Ca 0.16 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.95 1tfx n PHE 41 Cb 0.42 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.38 1tfx n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1tfx n GLY 43 N -0.46 3.84 2.37 0.00 0.00 0.15 -0.53 105.19 110.55 1tfx n GLY 43 Ca -0.02 -2.24 0.02 0.00 0.00 0.00 0.00 46.02 43.79 1tfx n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tfx n GLY 44 N 3.62 0.29 2.91 -0.02 0.00 -0.98 -4.02 105.19 107.00 1tfx n GLY 44 Ca -0.04 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 1tfx n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1tfx s SER 45 N -2.72 0.19 -0.28 1.61 0.01 -0.22 -1.95 113.70 110.34 1tfx s SER 45 Ca 0.19 -0.09 -0.22 0.00 1.31 0.00 0.00 55.95 57.14 1tfx s SER 45 Cb -0.00 -0.01 -0.01 0.00 0.21 0.00 0.00 66.02 66.21 1tfx s SER 45 CO -0.01 -0.02 0.72 -0.22 0.41 0.00 0.00 173.24 174.12 1tfx s LEU 46 N -0.21 4.09 -0.01 2.44 2.96 -0.36 -0.43 118.68 127.15 1tfx s LEU 46 Ca -0.01 0.71 0.21 0.00 -0.22 0.00 0.00 54.13 54.82 1tfx s LEU 46 Cb -0.02 -2.99 -0.25 0.00 0.50 0.00 0.00 46.19 43.44 1tfx s LEU 46 CO -0.00 -0.50 0.54 2.30 -1.32 0.00 0.00 176.35 177.37 1tfx n ILE 47 N 5.35 0.45 -3.57 6.68 -5.35 -0.88 -0.23 119.36 121.82 1tfx n ILE 47 Ca 0.02 -0.59 -0.06 0.00 -0.27 0.00 0.00 62.75 61.85 1tfx n ILE 47 Cb 0.48 -0.21 -0.02 0.00 -1.74 0.00 0.00 39.64 38.16 1tfx n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1tfx s ASN 48 N -4.94 -0.28 0.66 7.28 4.22 -1.22 -4.48 114.94 116.17 1tfx s ASN 48 Ca -0.07 -0.09 0.15 0.00 -2.14 0.00 0.00 52.86 50.72 1tfx s ASN 48 Cb 0.11 0.37 0.81 0.00 1.28 0.00 0.00 41.25 43.82 1tfx s ASN 48 CO 0.87 -0.61 1.45 0.77 -2.04 0.00 0.00 177.10 177.53 1tfx h SER 49 N 2.00 0.00 0.00 3.54 4.64 -1.95 -2.15 113.55 119.64 1tfx h SER 49 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1tfx h SER 49 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1tfx h SER 49 CO 0.29 0.00 0.00 1.67 -0.87 0.00 0.00 176.83 177.92 1tfx n GLN 50 N -2.75 -0.72 -4.43 4.77 7.27 -1.26 -0.55 117.38 119.71 1tfx n GLN 50 Ca 0.01 -0.53 -0.20 0.00 0.07 0.00 0.00 57.00 56.35 1tfx n GLN 50 Cb 0.74 -0.97 -0.14 0.00 2.41 0.00 0.00 30.24 32.28 1tfx n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1tfx s TRP 51 N -0.06 1.03 0.04 3.69 0.52 -0.81 0.09 118.94 123.44 1tfx s TRP 51 Ca 0.00 -0.24 0.07 0.00 0.02 0.00 0.00 56.10 55.95 1tfx s TRP 51 Cb 0.00 -0.65 -0.02 0.00 -1.15 0.00 0.00 33.47 31.65 1tfx s TRP 51 CO 0.00 -0.01 -0.19 0.08 0.02 0.00 0.00 176.95 176.85 1tfx s VAL 52 N -0.45 1.54 -0.09 4.03 1.01 0.58 -2.07 120.40 124.96 1tfx s VAL 52 Ca 0.03 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 60.88 1tfx s VAL 52 Cb -0.05 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 1tfx s VAL 52 CO 0.00 0.18 -0.08 -0.69 0.00 0.00 0.00 175.10 174.51 1tfx s VAL 53 N -0.79 3.57 0.00 2.92 1.01 0.43 -0.34 120.40 127.20 1tfx s VAL 53 Ca 0.06 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1tfx s VAL 53 Cb -0.08 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.82 1tfx s VAL 53 CO 0.02 0.57 0.00 -0.24 0.00 0.00 0.00 175.10 175.44 1tfx n SER 54 N 2.63 0.00 -4.84 3.32 2.88 0.25 -1.05 113.62 116.81 1tfx n SER 54 Ca -0.18 -0.68 -0.37 0.00 -1.33 0.00 0.00 58.87 56.32 1tfx n SER 54 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 1tfx n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1tfx s ALA 55 N -1.67 3.80 0.47 -1.46 0.00 -1.26 -1.35 121.76 120.28 1tfx s ALA 55 Ca 0.00 -0.58 0.19 0.00 0.00 0.00 0.00 51.96 51.57 1tfx s ALA 55 Cb 0.00 -2.10 1.18 0.00 0.00 0.00 0.00 23.12 22.20 1tfx s ALA 55 CO 0.00 0.48 1.97 0.00 0.00 0.00 0.00 175.76 178.21 1tfx h ALA 56 N 5.38 2.23 0.00 0.00 0.00 -1.66 -0.51 119.26 124.70 1tfx h ALA 56 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1tfx h ALA 56 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1tfx h ALA 56 CO 0.63 -0.39 0.00 -2.39 0.00 0.00 0.00 179.25 177.10 1tfx n HIS 57 N -4.44 0.00 0.57 0.00 1.44 -1.26 -2.16 115.22 109.37 1tfx n HIS 57 Ca 0.11 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.88 1tfx n HIS 57 Cb 0.50 -0.04 0.03 0.00 0.12 0.00 0.00 29.99 30.60 1tfx n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1tfx n TYR 59 N 0.35 -1.33 -3.57 0.00 9.36 -0.92 -5.02 117.16 116.04 1tfx n TYR 59 Ca 0.07 0.56 -0.14 0.00 3.32 0.00 0.00 57.90 61.71 1tfx n TYR 59 Cb 0.31 -1.88 -0.06 0.00 -0.63 0.00 0.00 39.34 37.08 1tfx n TYR 59 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1tfx s LYS 60 N -1.43 0.79 0.25 2.98 1.02 -1.26 -5.05 119.74 117.04 1tfx s LYS 60 Ca 0.62 0.36 -0.06 0.00 0.02 0.00 0.00 55.97 56.91 1tfx s LYS 60 Cb -0.57 0.38 0.26 0.00 -0.52 0.00 0.00 37.83 37.38 1tfx s LYS 60 CO 0.60 -0.21 1.92 0.66 -0.92 0.00 0.00 175.35 177.40 1tfx h SER 61 N 3.27 1.12 -3.29 2.83 4.64 -2.01 -3.41 113.55 116.70 1tfx h SER 61 Ca -0.24 -0.03 -0.62 0.00 -0.47 0.00 0.00 61.79 60.43 1tfx h SER 61 Cb 1.16 -0.28 -0.34 0.00 -0.31 0.00 0.00 62.40 62.63 1tfx h SER 61 CO 0.28 0.81 -0.85 -0.13 -0.87 0.00 0.00 176.83 176.06 1tfx s ARG 62 N -6.12 2.52 -0.01 4.77 0.52 -1.26 -5.04 118.95 114.33 1tfx s ARG 62 Ca -0.13 -0.68 0.01 0.00 -0.52 0.00 0.00 55.73 54.41 1tfx s ARG 62 Cb 0.18 -2.04 0.00 0.00 0.52 0.00 0.00 34.95 33.61 1tfx s ARG 62 CO 0.82 0.02 -0.03 0.42 0.02 0.00 0.00 175.30 176.54 1tfx s ILE 63 N 0.76 0.26 -0.14 1.52 1.01 -1.26 -4.75 121.20 118.59 1tfx s ILE 63 Ca -0.11 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.44 1tfx s ILE 63 Cb -0.16 -0.24 -0.00 0.00 0.01 0.00 0.00 42.46 42.06 1tfx s ILE 63 CO 0.01 0.09 -0.16 -1.58 0.00 0.00 0.00 174.94 173.30 1tfx s GLN 64 N 0.08 3.21 -0.31 2.79 0.74 0.13 -1.39 119.66 124.91 1tfx s GLN 64 Ca -0.00 -0.76 -0.17 0.00 0.05 0.00 0.00 55.36 54.47 1tfx s GLN 64 Cb -0.03 -2.57 -0.02 0.00 1.10 0.00 0.00 33.01 31.49 1tfx s GLN 64 CO -0.00 0.07 0.46 0.08 -0.55 0.00 0.00 175.29 175.35 1tfx s VAL 65 N 0.67 5.08 -0.34 1.34 1.01 0.73 -0.09 120.40 128.80 1tfx s VAL 65 Ca -0.08 0.45 -0.11 0.00 0.00 0.00 0.00 61.98 62.24 1tfx s VAL 65 Cb -0.16 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.36 1tfx s VAL 65 CO 0.02 -0.06 0.19 -0.13 0.00 0.00 0.00 175.10 175.12 1tfx s ARG 66 N 2.25 3.22 0.18 2.72 1.81 0.20 -1.30 118.95 128.04 1tfx s ARG 66 Ca 0.17 -0.81 0.06 0.00 -1.72 0.00 0.00 55.73 53.43 1tfx s ARG 66 Cb -0.16 -3.67 -0.04 0.00 -0.45 0.00 0.00 34.95 30.64 1tfx s ARG 66 CO 0.12 -0.51 0.10 -0.51 -0.68 0.00 0.00 175.30 173.82 1tfx s LEU 67 N 1.62 3.65 -1.05 2.53 1.02 0.38 -1.68 118.68 125.16 1tfx s LEU 67 Ca 0.04 -0.24 0.00 0.00 0.02 0.00 0.00 54.13 53.95 1tfx s LEU 67 Cb -0.18 -2.26 0.00 0.00 0.02 0.00 0.00 46.19 43.78 1tfx s LEU 67 CO 0.07 0.06 0.00 0.61 0.02 0.00 0.00 176.35 177.11 1tfx n GLY 69 N -0.43 0.68 3.94 -3.19 0.00 -1.26 0.33 105.19 105.26 1tfx n GLY 69 Ca -0.08 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 1tfx n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tfx s GLU 70 N -3.58 2.31 0.36 1.61 0.41 -1.26 -3.40 118.70 115.14 1tfx s GLU 70 Ca 0.00 -0.40 0.00 0.00 -0.41 0.00 0.00 54.97 54.16 1tfx s GLU 70 Cb 0.00 -2.26 0.00 0.00 -1.78 0.00 0.00 34.13 30.09 1tfx s GLU 70 CO 0.00 -1.08 0.00 1.58 -0.49 0.00 0.00 175.26 175.27 1tfx n HIS 71 N -2.75 -3.80 -3.40 1.61 -0.00 -1.26 -4.58 115.22 101.03 1tfx n HIS 71 Ca 0.08 1.11 -0.43 0.00 -0.00 0.00 0.00 57.72 58.48 1tfx n HIS 71 Cb 0.60 2.71 -0.09 0.00 -0.00 0.00 0.00 29.99 33.21 1tfx n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1tfx s ASN 72 N -2.85 6.14 0.00 0.26 3.84 -1.24 -2.29 114.94 118.81 1tfx s ASN 72 Ca 0.00 -0.78 0.26 0.00 0.21 0.00 0.00 52.86 52.54 1tfx s ASN 72 Cb 0.00 -2.19 1.40 0.00 -0.55 0.00 0.00 41.25 39.92 1tfx s ASN 72 CO 0.00 -0.49 1.88 2.30 -2.79 0.00 0.00 177.10 177.99 1tfx n ILE 73 N 5.27 0.11 0.46 -5.21 -5.35 -0.44 -3.33 119.36 110.86 1tfx n ILE 73 Ca -0.09 0.03 0.05 0.00 -0.27 0.00 0.00 62.75 62.46 1tfx n ILE 73 Cb 0.47 -0.62 0.01 0.00 -1.74 0.00 0.00 39.64 37.76 1tfx n ILE 73 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1tfx n ASP 74 N -1.15 1.33 -4.07 7.28 8.00 -1.26 -4.99 116.55 121.69 1tfx n ASP 74 Ca 0.15 -1.16 -0.17 0.00 0.71 0.00 0.00 54.79 54.32 1tfx n ASP 74 Cb 0.15 0.40 -0.13 0.00 -0.02 0.00 0.00 41.12 41.52 1tfx n ASP 74 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1tfx s VAL 75 N -1.32 0.75 -0.56 2.53 1.01 -1.21 -5.09 120.40 116.51 1tfx s VAL 75 Ca 0.09 -0.83 -0.25 0.00 0.00 0.00 0.00 61.98 60.99 1tfx s VAL 75 Cb 0.08 -0.71 0.04 0.00 0.00 0.00 0.00 36.38 35.79 1tfx s VAL 75 CO 0.24 -0.09 1.01 -0.22 0.00 0.00 0.00 175.10 176.04 1tfx s LEU 76 N -1.03 3.93 -0.01 3.92 2.96 -1.26 -4.75 118.68 122.44 1tfx s LEU 76 Ca -0.02 -0.24 0.16 0.00 -0.22 0.00 0.00 54.13 53.82 1tfx s LEU 76 Cb -0.07 -2.91 -0.19 0.00 0.50 0.00 0.00 46.19 43.52 1tfx s LEU 76 CO 0.01 -1.30 0.64 -0.62 -1.32 0.00 0.00 176.35 173.75 1tfx n GLU 77 N 7.73 0.64 0.00 1.98 1.02 -1.26 -5.00 120.64 125.75 1tfx n GLU 77 Ca 0.03 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 1tfx n GLU 77 Cb 0.48 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 1tfx n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tfx n GLY 78 N 1.48 2.19 0.15 0.62 0.00 -1.26 -4.95 105.19 103.43 1tfx n GLY 78 Ca -0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.99 1tfx n GLY 78 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1tfx h ASN 79 N 0.00 0.00 -3.69 1.61 4.21 -1.95 -3.48 115.58 112.28 1tfx h ASN 79 Ca 0.00 -0.03 -0.46 0.00 1.21 0.00 0.00 56.30 57.02 1tfx h ASN 79 Cb 0.00 0.00 0.19 0.00 -1.12 0.00 0.00 38.32 37.39 1tfx h ASN 79 CO 0.00 0.01 0.12 -1.61 -1.29 0.00 0.00 177.43 174.67 1tfx s GLU 80 N -3.25 0.04 -0.03 0.81 8.01 -1.22 -4.69 118.70 118.36 1tfx s GLU 80 Ca 0.04 0.91 -0.01 0.00 0.01 0.00 0.00 54.97 55.93 1tfx s GLU 80 Cb 0.08 -1.66 0.03 0.00 -4.31 0.00 0.00 34.13 28.27 1tfx s GLU 80 CO 0.72 -3.10 0.04 -0.65 0.01 0.00 0.00 175.26 172.27 1tfx s GLN 81 N -4.66 0.00 -0.30 1.61 -0.21 0.15 -4.94 119.66 111.32 1tfx s GLN 81 Ca 0.67 0.26 -0.06 0.00 0.02 0.00 0.00 55.36 56.25 1tfx s GLN 81 Cb -0.22 -0.42 0.01 0.00 1.00 0.00 0.00 33.01 33.38 1tfx s GLN 81 CO 0.61 -0.25 0.07 -0.06 -2.12 0.00 0.00 175.29 173.54 1tfx s PHE 82 N 1.61 3.15 -0.05 0.91 0.40 -1.26 -0.47 117.98 122.27 1tfx s PHE 82 Ca -0.02 -1.10 0.00 0.00 -0.60 0.00 0.00 56.93 55.21 1tfx s PHE 82 Cb -0.13 -2.23 0.02 0.00 0.51 0.00 0.00 43.02 41.19 1tfx s PHE 82 CO -0.03 -0.61 -0.03 0.42 0.70 0.00 0.00 175.22 175.67 1tfx s ILE 83 N 1.47 0.46 0.43 0.64 1.01 -0.42 -4.99 121.20 119.80 1tfx s ILE 83 Ca 0.02 -0.03 -0.22 0.00 0.00 0.00 0.00 60.65 60.42 1tfx s ILE 83 Cb -0.17 -0.53 -0.10 0.00 0.01 0.00 0.00 42.46 41.67 1tfx s ILE 83 CO 0.02 0.23 0.99 0.20 0.00 0.00 0.00 174.94 176.37 1tfx s ASN 84 N 1.28 6.79 0.22 3.58 0.01 -1.26 -0.19 114.94 125.36 1tfx s ASN 84 Ca -0.06 1.82 -0.30 0.00 -0.71 0.00 0.00 52.86 53.61 1tfx s ASN 84 Cb -0.14 -2.56 -0.09 0.00 0.41 0.00 0.00 41.25 38.88 1tfx s ASN 84 CO -0.02 -0.46 1.21 0.00 -1.51 0.00 0.00 177.10 176.31 1tfx s ALA 85 N -2.00 3.45 -0.19 0.60 0.00 -0.49 -1.14 121.76 122.00 1tfx s ALA 85 Ca 0.62 1.00 -0.10 0.00 0.00 0.00 0.00 51.96 53.47 1tfx s ALA 85 Cb -0.14 -3.41 -0.21 0.00 0.00 0.00 0.00 23.12 19.36 1tfx s ALA 85 CO 0.18 -0.38 0.14 0.00 0.00 0.00 0.00 175.76 175.69 1tfx n ALA 86 N 2.10 0.98 -2.62 0.00 0.00 0.64 -4.74 120.51 116.87 1tfx n ALA 86 Ca 0.03 -0.71 -0.20 0.00 0.00 0.00 0.00 53.44 52.57 1tfx n ALA 86 Cb 0.44 -0.46 -0.12 0.00 0.00 0.00 0.00 19.45 19.32 1tfx n ALA 86 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1tfx s LYS 87 N -2.49 0.95 -0.25 0.00 1.02 -1.15 -4.99 119.74 112.83 1tfx s LYS 87 Ca -0.28 -1.07 -0.04 0.00 0.02 0.00 0.00 55.97 54.60 1tfx s LYS 87 Cb 0.08 -1.02 0.09 0.00 -0.52 0.00 0.00 37.83 36.45 1tfx s LYS 87 CO 0.66 0.23 0.11 0.42 -0.92 0.00 0.00 175.35 175.85 1tfx s ILE 88 N -1.38 -0.03 -0.19 2.17 1.01 -1.26 -1.63 121.20 119.88 1tfx s ILE 88 Ca 0.02 -0.58 -0.03 0.00 0.00 0.00 0.00 60.65 60.07 1tfx s ILE 88 Cb -0.09 -0.87 -0.01 0.00 0.01 0.00 0.00 42.46 41.50 1tfx s ILE 88 CO 0.03 -0.56 -0.07 -0.63 0.00 0.00 0.00 174.94 173.70 1tfx s ILE 89 N 2.09 3.23 0.16 2.92 1.01 0.01 -5.01 121.20 125.62 1tfx s ILE 89 Ca 0.06 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.17 1tfx s ILE 89 Cb -0.16 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 1tfx s ILE 89 CO -0.26 0.46 0.31 0.42 0.00 0.00 0.00 174.94 175.87 1tfx s THR 90 N 1.14 5.29 0.13 2.92 -4.23 -1.26 -0.48 115.64 119.15 1tfx s THR 90 Ca 0.01 -0.56 -0.31 0.00 -1.18 0.00 0.00 61.69 59.65 1tfx s THR 90 Cb -0.14 -3.73 -0.10 0.00 1.34 0.00 0.00 72.50 69.87 1tfx s THR 90 CO -0.02 -0.10 1.64 -2.28 -0.54 0.00 0.00 174.62 173.32 1tfx s HIS 91 N -1.76 2.75 0.49 3.99 2.46 -0.98 -4.87 115.29 117.37 1tfx s HIS 91 Ca 0.36 0.44 0.28 0.00 0.47 0.00 0.00 55.06 56.60 1tfx s HIS 91 Cb -0.11 -3.98 1.36 0.00 -0.13 0.00 0.00 32.58 29.71 1tfx s HIS 91 CO 0.29 -3.79 1.83 -1.00 -2.47 0.00 0.00 174.74 169.60 1tfx h PRO 92 N 7.46 0.15 -0.45 2.88 0.13 -1.94 -0.36 132.00 139.87 1tfx h PRO 92 Ca -0.43 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1tfx h PRO 92 Cb 1.20 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1tfx h PRO 92 CO 0.93 0.10 0.00 0.09 -0.23 0.00 0.00 178.00 178.88 1tfx n ASN 93 N -4.36 2.29 -4.72 1.44 4.13 -1.26 -4.94 115.26 107.83 1tfx n ASN 93 Ca 0.22 -2.07 -0.42 0.00 1.68 0.00 0.00 54.58 53.99 1tfx n ASN 93 Cb 0.98 -0.31 -0.03 0.00 -1.54 0.00 0.00 39.78 38.89 1tfx n ASN 93 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1tfx n PHE 94 N 0.61 2.75 -3.78 3.10 7.35 -0.15 -4.73 117.46 122.62 1tfx n PHE 94 Ca 0.13 0.03 -0.37 0.00 -0.76 0.00 0.00 57.45 56.48 1tfx n PHE 94 Cb 0.39 -2.68 -0.13 0.00 0.35 0.00 0.00 39.48 37.41 1tfx n PHE 94 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1tfx s ASN 95 N 1.25 5.23 0.62 -2.13 3.84 -0.98 -4.97 114.94 117.80 1tfx s ASN 95 Ca 0.75 -1.13 0.39 0.00 0.21 0.00 0.00 52.86 53.09 1tfx s ASN 95 Cb -0.50 -1.84 2.05 0.00 -0.55 0.00 0.00 41.25 40.40 1tfx s ASN 95 CO 0.32 -0.31 2.25 1.23 -2.79 0.00 0.00 177.10 177.80 1tfx h GLY 96 N 8.19 0.00 0.83 1.21 0.00 -1.92 0.38 103.07 111.76 1tfx h GLY 96 Ca -0.23 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.75 1tfx h GLY 96 CO 0.59 0.00 -1.83 3.43 0.00 0.00 0.00 176.54 178.73 1tfx h ASN 97 N 0.00 0.38 0.00 0.19 -0.26 -1.98 -3.39 115.58 110.52 1tfx h ASN 97 Ca -0.00 -0.73 0.00 0.00 -0.56 0.00 0.00 56.30 55.01 1tfx h ASN 97 Cb 0.15 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.29 1tfx h ASN 97 CO 0.00 1.64 -1.39 0.35 -1.06 0.00 0.00 177.43 176.98 1tfx n THR 98 N -3.43 0.00 -1.18 2.81 -2.24 -1.14 -4.98 114.28 104.11 1tfx n THR 98 Ca -0.26 -0.26 -0.06 0.00 -2.27 0.00 0.00 64.05 61.20 1tfx n THR 98 Cb 1.05 0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 69.76 1tfx n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1tfx n LEU 99 N -1.81 -0.39 -4.75 3.22 4.77 0.13 -4.99 117.00 113.19 1tfx n LEU 99 Ca -0.00 0.16 -0.41 0.00 -0.03 0.00 0.00 56.01 55.73 1tfx n LEU 99 Cb 0.39 -1.37 -0.03 0.00 -2.33 0.00 0.00 43.42 40.07 1tfx n LEU 99 CO 0.38 -0.41 0.88 -0.62 -1.33 0.00 0.00 177.39 176.30 1tfx s ASP 100 N -2.73 7.07 -0.95 -1.43 2.15 -1.23 -3.57 116.67 115.97 1tfx s ASP 100 Ca 0.00 2.33 -0.03 0.00 0.43 0.00 0.00 52.55 55.28 1tfx s ASP 100 Cb 0.00 -2.62 -0.04 0.00 -0.30 0.00 0.00 42.92 39.96 1tfx s ASP 100 CO 0.00 -0.35 0.82 0.59 -0.17 0.00 0.00 175.17 176.05 1tfx n ASN 101 N 1.92 -4.44 -3.54 -0.34 5.03 -1.26 -2.32 115.26 110.30 1tfx n ASN 101 Ca 0.02 -0.58 -0.41 0.00 0.87 0.00 0.00 54.58 54.49 1tfx n ASN 101 Cb 0.44 -4.52 -0.01 0.00 -1.02 0.00 0.00 39.78 34.67 1tfx n ASN 101 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1tfx n ASP 102 N -2.92 7.03 -4.21 6.41 -0.08 -1.23 -4.30 116.55 117.25 1tfx n ASP 102 Ca -0.13 -2.92 -0.18 0.00 -1.51 0.00 0.00 54.79 50.04 1tfx n ASP 102 Cb 0.62 -1.49 -0.12 0.00 2.34 0.00 0.00 41.12 42.47 1tfx n ASP 102 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1tfx s ILE 103 N 0.82 1.23 -0.16 5.18 2.07 -1.26 -3.48 121.20 125.60 1tfx s ILE 103 Ca 0.55 -1.50 -0.15 0.00 -1.41 0.00 0.00 60.65 58.13 1tfx s ILE 103 Cb 0.16 -1.30 0.04 0.00 0.13 0.00 0.00 42.46 41.49 1tfx s ILE 103 CO -0.06 -0.31 0.44 -0.32 -1.91 0.00 0.00 174.94 172.78 1tfx s MET 104 N -2.18 0.52 -0.08 3.50 -2.45 -0.46 -2.33 119.30 115.81 1tfx s MET 104 Ca 0.03 0.60 0.02 0.00 -1.25 0.00 0.00 55.69 55.09 1tfx s MET 104 Cb -0.08 0.25 -0.02 0.00 1.25 0.00 0.00 34.83 36.23 1tfx s MET 104 CO 0.03 -0.06 -0.12 -0.51 1.05 0.00 0.00 175.02 175.40 1tfx s LEU 105 N 0.21 2.85 -0.12 4.11 1.43 0.37 -0.59 118.68 126.94 1tfx s LEU 105 Ca -0.00 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 1tfx s LEU 105 Cb -0.03 -1.61 0.01 0.00 0.03 0.00 0.00 46.19 44.59 1tfx s LEU 105 CO 0.01 0.29 -0.20 -0.63 0.23 0.00 0.00 176.35 176.04 1tfx s ILE 106 N -0.38 1.89 -0.33 -0.59 1.01 0.53 -0.81 121.20 122.53 1tfx s ILE 106 Ca 0.04 -0.89 -0.16 0.00 0.00 0.00 0.00 60.65 59.64 1tfx s ILE 106 Cb -0.12 -1.68 -0.01 0.00 0.01 0.00 0.00 42.46 40.66 1tfx s ILE 106 CO 0.02 0.52 0.43 -0.75 0.00 0.00 0.00 174.94 175.16 1tfx s LYS 107 N 0.75 3.66 0.25 2.79 2.20 -0.65 -0.31 119.74 128.43 1tfx s LYS 107 Ca -0.10 -0.23 -0.30 0.00 -0.36 0.00 0.00 55.97 54.98 1tfx s LYS 107 Cb -0.16 -3.78 -0.10 0.00 -1.51 0.00 0.00 37.83 32.28 1tfx s LYS 107 CO 0.01 -0.54 1.36 -0.51 -0.36 0.00 0.00 175.35 175.31 1tfx s LEU 108 N 2.18 4.41 0.51 5.43 1.43 0.11 -0.26 118.68 132.50 1tfx s LEU 108 Ca 0.15 2.56 0.18 0.00 -1.03 0.00 0.00 54.13 55.99 1tfx s LEU 108 Cb -0.16 -3.62 1.29 0.00 0.03 0.00 0.00 46.19 43.73 1tfx s LEU 108 CO 0.12 -0.59 2.13 0.77 0.23 0.00 0.00 176.35 179.01 1tfx h SER 109 N 4.82 0.00 -4.21 2.29 4.64 -1.42 -3.42 113.55 116.25 1tfx h SER 109 Ca -0.46 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.45 1tfx h SER 109 Cb 1.22 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.04 1tfx h SER 109 CO 0.75 0.04 -0.78 -0.44 -0.87 0.00 0.00 176.83 175.53 1tfx s SER 110 N -6.91 1.32 0.18 4.97 0.01 -1.26 -4.99 113.70 107.02 1tfx s SER 110 Ca -0.05 -0.30 -0.31 0.00 1.31 0.00 0.00 55.95 56.60 1tfx s SER 110 Cb 0.16 -0.11 -0.09 0.00 0.21 0.00 0.00 66.02 66.19 1tfx s SER 110 CO 0.66 0.07 1.45 -2.84 0.41 0.00 0.00 173.24 172.99 1tfx s PRO 111 N -0.65 4.28 0.35 12.44 0.02 -1.26 -4.83 135.00 145.34 1tfx s PRO 111 Ca 0.02 2.24 -0.27 0.00 0.02 0.00 0.00 61.00 63.00 1tfx s PRO 111 Cb -0.06 -3.17 -0.09 0.00 0.02 0.00 0.00 34.50 31.20 1tfx s PRO 111 CO 0.00 -0.47 1.18 0.00 -0.33 0.00 0.00 177.00 177.39 1tfx s ALA 112 N 0.65 3.32 -0.11 -1.55 0.00 0.28 -4.98 121.76 119.37 1tfx s ALA 112 Ca 0.64 1.02 -0.30 0.00 0.00 0.00 0.00 51.96 53.32 1tfx s ALA 112 Cb -0.41 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.31 1tfx s ALA 112 CO 0.36 -0.44 1.20 0.99 0.00 0.00 0.00 175.76 177.87 1tfx s THR 113 N -1.27 4.33 0.34 0.00 2.01 -1.26 -4.85 115.64 114.93 1tfx s THR 113 Ca 0.51 1.63 0.07 0.00 0.31 0.00 0.00 61.69 64.22 1tfx s THR 113 Cb -0.33 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.10 1tfx s THR 113 CO 0.43 -0.07 0.34 -0.76 -0.69 0.00 0.00 174.62 173.87 1tfx s LEU 114 N 2.77 3.69 0.00 4.42 1.43 -1.26 -4.75 118.68 124.98 1tfx s LEU 114 Ca 0.54 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 1tfx s LEU 114 Cb -0.22 -2.35 0.00 0.00 0.03 0.00 0.00 46.19 43.65 1tfx s LEU 114 CO 0.18 -0.38 0.00 -3.20 0.23 0.00 0.00 176.35 173.18 1tfx n ASN 115 N -1.45 -0.14 0.00 2.29 4.05 -0.10 -4.95 115.26 114.96 1tfx n ASN 115 Ca -0.01 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.02 1tfx n ASN 115 Cb 0.59 0.09 0.00 0.00 1.23 0.00 0.00 39.78 41.69 1tfx n ASN 115 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1tfx n SER 116 N -0.06 0.00 -0.00 1.20 2.88 -1.26 -4.05 113.62 112.32 1tfx n SER 116 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1tfx n SER 116 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 1tfx n SER 116 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1tfx n ARG 117 N 0.00 0.63 -4.78 -1.46 1.74 -1.26 -4.83 116.66 106.71 1tfx n ARG 117 Ca 0.00 0.21 -0.29 0.00 -0.77 0.00 0.00 57.85 57.00 1tfx n ARG 117 Cb 0.00 -1.77 -0.17 0.00 -1.02 0.00 0.00 32.46 29.51 1tfx n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1tfx s VAL 118 N -2.78 1.67 0.21 1.55 1.01 -1.26 -4.27 120.40 116.53 1tfx s VAL 118 Ca -0.04 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.04 1tfx s VAL 118 Cb 0.08 -1.49 -0.00 0.00 0.00 0.00 0.00 36.38 34.98 1tfx s VAL 118 CO 0.82 0.47 0.42 0.00 0.00 0.00 0.00 175.10 176.81 1tfx s ALA 119 N 0.66 -0.21 0.45 5.51 0.00 -0.36 -0.92 121.76 126.89 1tfx s ALA 119 Ca -0.13 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1tfx s ALA 119 Cb -0.16 1.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.95 1tfx s ALA 119 CO 0.03 -0.78 0.67 0.95 0.00 0.00 0.00 175.76 176.63 1tfx s THR 120 N -3.99 4.09 -0.02 0.00 -4.23 -1.26 -2.83 115.64 107.40 1tfx s THR 120 Ca 0.20 -0.47 0.07 0.00 -1.18 0.00 0.00 61.69 60.31 1tfx s THR 120 Cb 0.01 -3.51 -0.02 0.00 1.34 0.00 0.00 72.50 70.31 1tfx s THR 120 CO 0.05 -0.36 -0.24 0.54 -0.54 0.00 0.00 174.62 174.07 1tfx s VAL 121 N -2.55 2.26 0.36 2.29 0.11 0.68 -4.79 120.40 118.78 1tfx s VAL 121 Ca 0.48 -1.08 -0.26 0.00 -2.93 0.00 0.00 61.98 58.19 1tfx s VAL 121 Cb -0.10 -1.82 -0.09 0.00 -1.53 0.00 0.00 36.38 32.84 1tfx s VAL 121 CO 0.38 0.55 1.12 -0.55 -3.33 0.00 0.00 175.10 173.27 1tfx s SER 122 N -0.73 6.81 0.48 3.54 0.15 -1.23 -4.60 113.70 118.12 1tfx s SER 122 Ca 0.11 2.25 -0.19 0.00 0.70 0.00 0.00 55.95 58.82 1tfx s SER 122 Cb -0.10 -2.61 -0.09 0.00 -1.71 0.00 0.00 66.02 61.51 1tfx s SER 122 CO -0.00 -0.46 0.99 -0.76 1.20 0.00 0.00 173.24 174.20 1tfx s LEU 123 N -2.20 3.78 0.00 3.45 1.43 -1.26 -0.06 118.68 123.82 1tfx s LEU 123 Ca 0.53 1.70 -0.30 0.00 -1.03 0.00 0.00 54.13 55.03 1tfx s LEU 123 Cb -0.29 -4.53 -0.06 0.00 0.03 0.00 0.00 46.19 41.33 1tfx s LEU 123 CO 0.37 -0.58 1.58 -2.16 0.23 0.00 0.00 176.35 175.79 1tfx s PRO 124 N -3.56 4.21 0.43 1.29 0.04 -1.24 -4.67 135.00 131.50 1tfx s PRO 124 Ca 0.62 2.17 0.23 0.00 0.04 0.00 0.00 61.00 64.07 1tfx s PRO 124 Cb -0.11 -3.73 0.53 0.00 0.04 0.00 0.00 34.50 31.23 1tfx s PRO 124 CO 0.22 -0.73 1.67 0.00 0.04 0.00 0.00 177.00 178.20 1tfx h ARG 125 N 8.62 0.00 -2.80 4.56 3.08 -1.94 -3.47 114.38 122.44 1tfx h ARG 125 Ca -0.40 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.62 1tfx h ARG 125 Cb 1.19 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.10 1tfx h ARG 125 CO 0.93 0.13 0.19 -1.54 -1.07 0.00 0.00 179.97 178.60 1tfx s SER 127 N -6.17 -0.57 0.49 7.04 1.04 -1.26 -5.15 113.70 109.12 1tfx s SER 127 Ca 0.05 0.15 -0.22 0.00 0.48 0.00 0.00 55.95 56.40 1tfx s SER 127 Cb 0.07 0.58 -0.07 0.00 0.10 0.00 0.00 66.02 66.70 1tfx s SER 127 CO 0.66 -0.88 1.19 0.00 0.98 0.00 0.00 173.24 175.19 1tfx s ALA 129 N -1.54 3.43 0.49 0.00 0.00 -1.26 -5.05 121.76 117.83 1tfx s ALA 129 Ca 0.67 0.39 -0.14 0.00 0.00 0.00 0.00 51.96 52.88 1tfx s ALA 129 Cb -0.30 -3.00 -0.07 0.00 0.00 0.00 0.00 23.12 19.75 1tfx s ALA 129 CO 0.36 0.26 0.93 0.00 0.00 0.00 0.00 175.76 177.31 1tfx s ALA 130 N -1.07 3.15 1.03 0.00 0.00 -1.26 -5.02 121.76 118.59 1tfx s ALA 130 Ca 0.37 0.04 -0.15 0.00 0.00 0.00 0.00 51.96 52.22 1tfx s ALA 130 Cb -0.23 -3.00 0.09 0.00 0.00 0.00 0.00 23.12 19.98 1tfx s ALA 130 CO 0.27 -0.22 0.35 0.00 0.00 0.00 0.00 175.76 176.16 1tfx n ALA 132 N -1.62 -3.08 -0.07 0.00 0.00 -1.26 -2.52 120.51 111.96 1tfx n ALA 132 Ca 0.05 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.60 1tfx n ALA 132 Cb 0.54 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1tfx n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tfx n GLY 133 N 1.58 1.53 3.71 0.00 0.00 0.98 -4.88 105.19 108.11 1tfx n GLY 133 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1tfx n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tfx s THR 134 N -2.14 3.53 0.19 2.61 2.01 -1.05 -4.68 115.64 116.11 1tfx s THR 134 Ca 0.00 1.09 -0.29 0.00 0.31 0.00 0.00 61.69 62.80 1tfx s THR 134 Cb 0.00 -3.70 -0.08 0.00 0.01 0.00 0.00 72.50 68.73 1tfx s THR 134 CO 0.00 0.08 0.90 -0.70 -0.69 0.00 0.00 174.62 174.21 1tfx s GLU 135 N 1.20 4.76 0.23 4.92 2.12 -1.26 -0.60 118.70 130.06 1tfx s GLU 135 Ca 0.63 1.40 0.00 0.00 0.36 0.00 0.00 54.97 57.37 1tfx s GLU 135 Cb -0.34 -3.30 -0.05 0.00 0.26 0.00 0.00 34.13 30.70 1tfx s GLU 135 CO 0.30 0.47 0.10 0.00 -0.54 0.00 0.00 175.26 175.58 1tfx s LEU 137 N -3.24 2.33 -0.10 0.00 2.96 -0.53 -0.90 118.68 119.20 1tfx s LEU 137 Ca 0.36 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.81 1tfx s LEU 137 Cb 0.07 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.25 1tfx s LEU 137 CO 0.12 0.13 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.46 1tfx s ILE 138 N 0.53 2.60 0.10 6.68 1.01 0.62 -1.25 121.20 131.50 1tfx s ILE 138 Ca -0.12 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.69 1tfx s ILE 138 Cb -0.16 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 1tfx s ILE 138 CO 0.04 0.55 -0.02 -0.94 0.00 0.00 0.00 174.94 174.57 1tfx s SER 139 N 0.09 0.82 0.00 3.58 1.04 -1.21 -1.19 113.70 116.83 1tfx s SER 139 Ca -0.08 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.27 1tfx s SER 139 Cb -0.15 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.13 1tfx s SER 139 CO 0.05 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.31 1tfx n GLY 140 N -0.05 -0.95 0.78 7.32 0.00 -1.03 -4.25 105.19 107.02 1tfx n GLY 140 Ca -0.10 -1.31 0.07 0.00 0.00 0.00 0.00 46.02 44.68 1tfx n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1tfx n TRP 141 N -0.93 0.71 -1.23 1.61 8.01 -1.26 -1.79 117.44 122.56 1tfx n TRP 141 Ca 0.00 -0.67 -0.29 0.00 -1.31 0.00 0.00 57.50 55.23 1tfx n TRP 141 Cb 0.00 -0.16 0.19 0.00 -2.01 0.00 0.00 31.31 29.33 1tfx n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1tfx s GLY 142 N -1.41 1.58 0.39 6.99 0.00 -1.24 -4.24 107.32 109.39 1tfx s GLY 142 Ca 0.32 -0.61 -0.22 0.00 0.00 0.00 0.00 44.72 44.21 1tfx s GLY 142 CO 0.13 0.09 0.21 -2.01 0.00 0.00 0.00 173.10 171.52 1tfx n ASN 143 N -4.29 -2.35 -0.00 1.64 2.85 -0.03 -1.47 115.26 111.61 1tfx n ASN 143 Ca 0.08 0.85 0.05 0.00 -0.11 0.00 0.00 54.58 55.46 1tfx n ASN 143 Cb 0.58 -0.94 -0.07 0.00 1.24 0.00 0.00 39.78 40.60 1tfx n ASN 143 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1tfx n THR 144 N -0.92 0.00 -3.78 -0.44 -2.24 0.02 -0.83 114.28 106.09 1tfx n THR 144 Ca 0.12 -0.24 -0.36 0.00 -2.27 0.00 0.00 64.05 61.29 1tfx n THR 144 Cb 0.39 0.87 -0.13 0.00 -2.10 0.00 0.00 70.33 69.36 1tfx n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1tfx s LYS 145 N -2.16 3.57 0.15 -0.78 1.02 -1.26 -4.44 119.74 115.84 1tfx s LYS 145 Ca 0.03 -0.53 0.21 0.00 0.02 0.00 0.00 55.97 55.70 1tfx s LYS 145 Cb 0.08 -3.27 0.86 0.00 -0.52 0.00 0.00 37.83 34.98 1tfx s LYS 145 CO 0.45 -0.21 1.65 -1.13 -0.92 0.00 0.00 175.35 175.19 1tfx n SER 146 N 4.90 0.43 0.00 2.83 3.41 -1.26 -4.06 113.62 119.86 1tfx n SER 146 Ca -0.16 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 1tfx n SER 146 Cb 0.51 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 1tfx n SER 146 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1tfx n SER 147 N -1.96 0.00 0.00 4.04 2.88 -1.26 -4.56 113.62 112.76 1tfx n SER 147 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1tfx n SER 147 Cb 0.23 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 1tfx n SER 147 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1tfx n GLY 148 N 2.48 0.81 3.63 0.46 0.00 -1.26 -5.12 105.19 106.20 1tfx n GLY 148 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1tfx n GLY 148 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1tfx s SER 149 N -1.00 -0.66 -0.22 1.61 0.01 -1.26 -4.71 113.70 107.47 1tfx s SER 149 Ca 0.00 1.25 -0.17 0.00 1.31 0.00 0.00 55.95 58.34 1tfx s SER 149 Cb 0.00 1.27 0.06 0.00 0.21 0.00 0.00 66.02 67.56 1tfx s SER 149 CO 0.00 -0.21 0.56 -0.55 0.41 0.00 0.00 173.24 173.45 1tfx s SER 150 N 0.41 -0.65 -0.22 2.44 0.15 -1.26 -4.88 113.70 109.69 1tfx s SER 150 Ca 0.00 1.17 -0.00 0.00 0.70 0.00 0.00 55.95 57.82 1tfx s SER 150 Cb -0.05 1.13 0.02 0.00 -1.71 0.00 0.00 66.02 65.42 1tfx s SER 150 CO -0.03 -0.21 -0.12 -0.31 1.20 0.00 0.00 173.24 173.78 1tfx s TYR 151 N 0.77 2.95 0.90 3.44 1.51 -1.26 -0.80 117.35 124.86 1tfx s TYR 151 Ca -0.04 -1.58 -0.11 0.00 -1.01 0.00 0.00 57.07 54.34 1tfx s TYR 151 Cb -0.05 -1.99 0.13 0.00 -0.11 0.00 0.00 41.96 39.94 1tfx s TYR 151 CO -0.06 -0.75 1.11 -1.25 -1.11 0.00 0.00 175.55 173.49 1tfx s PRO 152 N 1.31 1.21 -0.05 -1.71 0.04 -1.26 -4.95 135.00 129.59 1tfx s PRO 152 Ca 0.02 1.24 0.06 0.00 0.04 0.00 0.00 61.00 62.36 1tfx s PRO 152 Cb -0.15 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 1tfx s PRO 152 CO -0.08 -2.40 0.07 0.43 0.04 0.00 0.00 177.00 175.06 1tfx n SER 153 N -4.04 3.41 -4.78 6.66 7.64 -1.26 -4.93 113.62 116.31 1tfx n SER 153 Ca 0.09 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.61 1tfx n SER 153 Cb 0.53 0.88 -0.07 0.00 -1.01 0.00 0.00 64.21 64.54 1tfx n SER 153 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1tfx s LEU 154 N -4.14 4.30 0.28 -3.43 1.43 -1.25 -1.33 118.68 114.53 1tfx s LEU 154 Ca -0.03 0.46 -0.28 0.00 -1.03 0.00 0.00 54.13 53.24 1tfx s LEU 154 Cb 0.03 -2.22 -0.14 0.00 0.03 0.00 0.00 46.19 43.88 1tfx s LEU 154 CO 0.27 0.24 1.02 -0.11 0.23 0.00 0.00 176.35 178.00 1tfx n LEU 155 N 2.92 1.73 -4.68 1.79 7.94 -0.97 -4.85 117.00 120.88 1tfx n LEU 155 Ca -0.16 1.17 -0.31 0.00 -1.11 0.00 0.00 56.01 55.61 1tfx n LEU 155 Cb 0.53 -1.28 -0.08 0.00 0.53 0.00 0.00 43.42 43.12 1tfx n LEU 155 CO 0.36 -1.41 -0.34 -1.10 -1.11 0.00 0.00 177.39 173.79 1tfx s GLN 156 N -1.43 2.57 0.07 1.96 -1.52 -0.74 -1.02 119.66 119.55 1tfx s GLN 156 Ca 0.60 -0.80 0.08 0.00 -1.95 0.00 0.00 55.36 53.29 1tfx s GLN 156 Cb -0.72 -2.55 -0.03 0.00 -0.22 0.00 0.00 33.01 29.49 1tfx s GLN 156 CO 0.59 0.56 -0.21 0.00 -0.25 0.00 0.00 175.29 175.98 1tfx s LEU 158 N -1.55 -0.54 -0.16 0.00 2.96 -0.34 -1.12 118.68 117.94 1tfx s LEU 158 Ca 0.07 1.13 -0.13 0.00 -0.22 0.00 0.00 54.13 54.98 1tfx s LEU 158 Cb -0.09 1.67 -0.05 0.00 0.50 0.00 0.00 46.19 48.22 1tfx s LEU 158 CO 0.03 -0.22 0.26 -0.54 -1.32 0.00 0.00 176.35 174.57 1tfx s LYS 159 N 1.95 4.17 0.01 1.98 1.02 -1.26 -0.28 119.74 127.34 1tfx s LYS 159 Ca -0.07 0.04 -0.12 0.00 0.02 0.00 0.00 55.97 55.85 1tfx s LYS 159 Cb -0.09 -3.40 0.01 0.00 -0.52 0.00 0.00 37.83 33.83 1tfx s LYS 159 CO -0.15 0.31 0.25 0.00 -0.92 0.00 0.00 175.35 174.84 1tfx s ALA 160 N 0.27 -0.57 0.20 5.17 0.00 -0.08 -4.94 121.76 121.81 1tfx s ALA 160 Ca 0.15 0.02 -0.02 0.00 0.00 0.00 0.00 51.96 52.12 1tfx s ALA 160 Cb -0.13 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 1tfx s ALA 160 CO 0.03 -0.31 0.40 -1.25 0.00 0.00 0.00 175.76 174.64 1tfx s PRO 161 N -1.89 3.54 0.18 0.00 0.04 -1.26 -0.17 135.00 135.44 1tfx s PRO 161 Ca -0.10 -0.28 -0.30 0.00 0.04 0.00 0.00 61.00 60.36 1tfx s PRO 161 Cb -0.04 -2.83 -0.09 0.00 0.04 0.00 0.00 34.50 31.59 1tfx s PRO 161 CO 0.00 0.40 1.33 0.08 0.04 0.00 0.00 177.00 178.85 1tfx s VAL 162 N -1.85 3.22 0.11 -0.36 1.01 0.23 -1.78 120.40 120.98 1tfx s VAL 162 Ca 0.39 0.97 0.01 0.00 0.00 0.00 0.00 61.98 63.35 1tfx s VAL 162 Cb -0.11 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 1tfx s VAL 162 CO 0.28 0.13 0.26 -0.76 0.00 0.00 0.00 175.10 175.01 1tfx s LEU 163 N 0.19 4.34 0.43 3.92 1.43 0.59 -0.02 118.68 129.56 1tfx s LEU 163 Ca 0.59 0.24 -0.25 0.00 -1.03 0.00 0.00 54.13 53.68 1tfx s LEU 163 Cb -0.37 -2.96 -0.08 0.00 0.03 0.00 0.00 46.19 42.81 1tfx s LEU 163 CO 0.36 0.10 1.32 -0.94 0.23 0.00 0.00 176.35 177.43 1tfx s SER 164 N -2.86 6.13 0.42 2.29 1.04 -1.26 -4.38 113.70 115.09 1tfx s SER 164 Ca 0.35 2.69 0.18 0.00 0.48 0.00 0.00 55.95 59.65 1tfx s SER 164 Cb -0.12 -2.64 1.10 0.00 0.10 0.00 0.00 66.02 64.46 1tfx s SER 164 CO 0.28 -0.98 1.86 -0.78 0.98 0.00 0.00 173.24 174.60 1tfx h ASP 165 N 2.46 0.39 0.72 7.02 3.58 -1.97 -1.47 116.42 127.15 1tfx h ASP 165 Ca -0.50 0.04 -0.04 0.00 0.42 0.00 0.00 57.03 56.96 1tfx h ASP 165 Cb 1.25 -0.03 0.01 0.00 1.72 0.00 0.00 39.33 42.28 1tfx h ASP 165 CO 0.62 0.15 -0.35 -1.28 -2.88 0.00 0.00 179.24 175.50 1tfx h SER 166 N 0.39 -0.82 -0.98 2.28 0.87 -1.99 -1.48 113.55 111.81 1tfx h SER 166 Ca 0.47 0.03 0.14 0.00 -1.23 0.00 0.00 61.79 61.19 1tfx h SER 166 Cb 1.20 0.21 -0.09 0.00 -0.44 0.00 0.00 62.40 63.28 1tfx h SER 166 CO -0.17 -0.53 0.62 0.77 -0.53 0.00 0.00 176.83 176.99 1tfx h SER 167 N -1.08 0.85 0.21 6.23 4.64 -1.80 -0.25 113.55 122.35 1tfx h SER 167 Ca -0.10 0.05 0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1tfx h SER 167 Cb 0.74 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.69 1tfx h SER 167 CO 0.16 0.43 -0.27 0.00 -0.87 0.00 0.00 176.83 176.28 1tfx h LYS 169 N -0.54 0.54 -0.67 0.00 1.57 -0.33 -0.71 116.57 116.43 1tfx h LYS 169 Ca 0.01 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 1tfx h LYS 169 Cb 0.52 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 1tfx h LYS 169 CO -0.10 0.50 0.15 1.03 -0.57 0.00 0.00 179.45 180.45 1tfx h SER 170 N 0.53 1.02 -0.48 0.86 0.87 -0.77 -0.51 113.55 115.08 1tfx h SER 170 Ca 0.12 -0.22 -0.10 0.00 -1.23 0.00 0.00 61.79 60.36 1tfx h SER 170 Cb 0.21 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1tfx h SER 170 CO -0.00 0.99 -0.11 0.28 -0.53 0.00 0.00 176.83 177.46 1tfx h SER 171 N 1.02 0.92 -2.67 6.23 0.02 -0.26 -3.37 113.55 115.44 1tfx h SER 171 Ca 0.21 -0.36 -0.60 0.00 -0.84 0.00 0.00 61.79 60.20 1tfx h SER 171 Cb 0.38 -0.25 -0.40 0.00 0.14 0.00 0.00 62.40 62.27 1tfx h SER 171 CO 0.00 1.07 -0.76 -1.22 -1.14 0.00 0.00 176.83 174.78 1tfx n TYR 172 N -4.23 1.45 -1.67 3.45 4.01 -0.36 -4.95 117.16 114.85 1tfx n TYR 172 Ca 0.00 -3.87 -0.49 0.00 -0.16 0.00 0.00 57.90 53.39 1tfx n TYR 172 Cb 0.39 -0.26 -0.05 0.00 -0.31 0.00 0.00 39.34 39.11 1tfx n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1tfx n PRO 173 N 2.18 2.00 -1.79 -0.72 -0.02 -0.22 -2.07 135.00 134.36 1tfx n PRO 173 Ca 0.25 0.73 -0.20 0.00 -2.02 0.00 0.00 63.50 62.25 1tfx n PRO 173 Cb 0.42 -2.52 -0.07 0.00 -0.02 0.00 0.00 33.50 31.31 1tfx n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1tfx n GLY 174 N 3.92 1.35 0.00 -1.23 0.00 -1.26 -4.80 105.19 103.17 1tfx n GLY 174 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1tfx n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1tfx n GLN 175 N -2.55 3.78 -3.47 1.61 6.02 -0.88 -5.01 117.38 116.89 1tfx n GLN 175 Ca -0.21 -0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.40 1tfx n GLN 175 Cb 0.67 -0.74 -0.07 0.00 1.02 0.00 0.00 30.24 31.12 1tfx n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1tfx s ILE 176 N -1.48 5.26 0.48 5.09 -1.09 -1.23 -5.08 121.20 123.16 1tfx s ILE 176 Ca 0.00 0.61 0.08 0.00 -2.23 0.00 0.00 60.65 59.11 1tfx s ILE 176 Cb 0.00 -3.67 0.03 0.00 -1.58 0.00 0.00 42.46 37.24 1tfx s ILE 176 CO 0.02 0.33 0.56 0.42 -1.23 0.00 0.00 174.94 175.04 1tfx s THR 177 N 0.84 2.47 -2.00 2.92 -4.23 -1.26 -4.99 115.64 109.39 1tfx s THR 177 Ca 0.17 -1.16 0.18 0.00 -1.18 0.00 0.00 61.69 59.71 1tfx s THR 177 Cb -0.14 -2.63 0.52 0.00 1.34 0.00 0.00 72.50 71.59 1tfx s THR 177 CO 0.06 0.00 1.48 0.61 -0.54 0.00 0.00 174.62 176.23 1tfx n GLY 178 N -1.87 -0.57 1.29 3.99 0.00 -1.26 -2.64 105.19 104.13 1tfx n GLY 178 Ca 0.08 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.06 1tfx n GLY 178 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1tfx n ASN 179 N -1.00 4.47 -4.04 1.61 3.02 -1.26 -4.95 115.26 113.11 1tfx n ASN 179 Ca 0.14 -2.72 -0.16 0.00 -0.03 0.00 0.00 54.58 51.81 1tfx n ASN 179 Cb 0.06 -0.55 -0.13 0.00 -0.61 0.00 0.00 39.78 38.55 1tfx n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1tfx s MET 180 N -2.33 0.59 0.01 3.52 -1.94 -1.08 -1.91 119.30 116.16 1tfx s MET 180 Ca 0.45 -0.55 0.01 0.00 -1.71 0.00 0.00 55.69 53.90 1tfx s MET 180 Cb 0.33 -0.49 -0.01 0.00 2.01 0.00 0.00 34.83 36.67 1tfx s MET 180 CO 0.16 0.12 -0.05 0.96 -0.01 0.00 0.00 175.02 176.19 1tfx s ILE 181 N -0.79 0.35 -0.01 2.53 -4.36 0.07 -4.80 121.20 114.18 1tfx s ILE 181 Ca -0.03 -0.56 -0.13 0.00 -0.26 0.00 0.00 60.65 59.67 1tfx s ILE 181 Cb -0.07 -0.37 -0.05 0.00 1.25 0.00 0.00 42.46 43.22 1tfx s ILE 181 CO 0.00 -0.15 0.36 0.00 0.24 0.00 0.00 174.94 175.40 1tfx s VAL 183 N -1.09 0.28 -5.00 0.00 1.01 -1.01 -0.30 120.40 114.30 1tfx s VAL 183 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.21 1tfx s VAL 183 Cb -0.16 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 35.88 1tfx s VAL 183 CO 0.12 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.99 1tfx n GLY 184 N 3.96 0.37 2.90 4.51 0.00 -0.73 -3.23 105.19 112.97 1tfx n GLY 184 Ca -0.25 -1.37 -0.19 0.00 0.00 0.00 0.00 46.02 44.21 1tfx n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tfx s PHE 184 N -3.90 0.70 -1.55 1.61 0.40 -1.26 -4.28 117.98 109.70 1tfx s PHE 184 Ca 0.00 -0.18 0.29 0.00 -0.60 0.00 0.00 56.93 56.44 1tfx s PHE 184 Cb 0.00 -0.61 1.50 0.00 0.51 0.00 0.00 43.02 44.43 1tfx s PHE 184 CO 0.00 -0.16 2.00 1.28 0.70 0.00 0.00 175.22 179.05 1tfx n LEU 185 N 3.86 0.00 -0.05 -0.37 4.77 -1.26 -2.91 117.00 121.04 1tfx n LEU 185 Ca -0.24 0.23 0.11 0.00 -0.03 0.00 0.00 56.01 56.08 1tfx n LEU 185 Cb 0.52 -0.23 0.06 0.00 -2.33 0.00 0.00 43.42 41.44 1tfx n LEU 185 CO 0.24 -0.01 0.21 -0.62 -1.33 0.00 0.00 177.39 175.87 1tfx n GLU 186 N -1.23 0.13 0.00 3.23 -0.58 -1.26 0.26 120.64 121.20 1tfx n GLU 186 Ca 0.15 -0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 1tfx n GLU 186 Cb 0.20 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 1tfx n GLU 186 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1tfx n GLY 187 N 1.49 -2.92 0.00 0.62 0.00 -1.15 -4.42 105.19 98.81 1tfx n GLY 187 Ca 0.05 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1tfx n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tfx n GLY 188 N -0.65 3.09 3.17 -0.02 0.00 -0.34 -4.95 105.19 105.48 1tfx n GLY 188 Ca 0.00 -0.88 -0.25 0.00 0.00 0.00 0.00 46.02 44.90 1tfx n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tfx s LYS 188 N 0.00 1.41 0.00 1.61 1.02 -1.26 -3.59 119.74 118.93 1tfx s LYS 188 Ca 0.00 -0.63 0.00 0.00 0.02 0.00 0.00 55.97 55.36 1tfx s LYS 188 Cb 0.00 -1.37 0.00 0.00 -0.52 0.00 0.00 37.83 35.94 1tfx s LYS 188 CO 0.00 0.37 0.00 -3.47 -0.92 0.00 0.00 175.35 171.33 1tfx n ASP 189 N 2.63 0.00 -3.02 2.83 2.03 -0.60 -4.35 116.55 116.08 1tfx n ASP 189 Ca -0.15 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.04 1tfx n ASP 189 Cb 0.54 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 41.01 1tfx n ASP 189 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1tfx n SER 190 N 0.00 0.33 -2.90 1.67 3.41 -1.26 -0.12 113.62 114.75 1tfx n SER 190 Ca 0.00 -1.37 -0.03 0.00 -0.26 0.00 0.00 58.87 57.21 1tfx n SER 190 Cb 0.00 -0.38 0.02 0.00 -0.26 0.00 0.00 64.21 63.58 1tfx n SER 190 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tfx n GLN 192 N -0.60 1.88 0.00 0.00 3.00 -1.26 -1.30 117.38 119.10 1tfx n GLN 192 Ca -0.02 0.68 0.00 0.00 -0.01 0.00 0.00 57.00 57.64 1tfx n GLN 192 Cb 0.49 -2.54 0.00 0.00 0.00 0.00 0.00 30.24 28.19 1tfx n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1tfx n GLY 193 N 4.59 1.23 0.03 1.08 0.00 -1.26 -0.85 105.19 110.01 1tfx n GLY 193 Ca 0.25 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.38 1tfx n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1tfx n ASP 194 N 0.00 0.51 -4.49 1.61 8.00 -0.42 -3.61 116.55 118.14 1tfx n ASP 194 Ca 0.00 -0.23 -0.51 0.00 0.71 0.00 0.00 54.79 54.76 1tfx n ASP 194 Cb 0.00 1.16 -0.04 0.00 -0.02 0.00 0.00 41.12 42.22 1tfx n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1tfx n SER 195 N -2.04 0.01 0.00 -2.24 7.64 -1.26 -0.27 113.62 115.45 1tfx n SER 195 Ca 0.00 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1tfx n SER 195 Cb 0.47 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 1tfx n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tfx n GLY 196 N 1.81 3.15 3.54 0.23 0.00 -0.49 -0.68 105.19 112.76 1tfx n GLY 196 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1tfx n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tfx n GLY 197 N -1.85 -1.26 3.82 -0.02 0.00 0.63 -3.41 105.19 103.10 1tfx n GLY 197 Ca 0.00 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 1tfx n GLY 197 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1tfx s PRO 198 N -4.28 4.23 -0.35 1.61 0.02 -1.26 -1.85 135.00 133.11 1tfx s PRO 198 Ca 0.64 1.01 -0.00 0.00 0.02 0.00 0.00 61.00 62.67 1tfx s PRO 198 Cb -0.22 -2.41 0.12 0.00 0.02 0.00 0.00 34.50 32.00 1tfx s PRO 198 CO 0.62 0.11 0.16 0.08 -0.33 0.00 0.00 177.00 177.64 1tfx s VAL 199 N -1.98 0.81 -0.26 3.83 1.01 -0.75 -3.28 120.40 119.78 1tfx s VAL 199 Ca 0.56 -1.72 -0.07 0.00 0.00 0.00 0.00 61.98 60.75 1tfx s VAL 199 Cb -0.12 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 1tfx s VAL 199 CO 0.17 -0.80 0.06 -0.69 0.00 0.00 0.00 175.10 173.84 1tfx s VAL 200 N 1.21 4.12 -0.16 2.92 1.01 -0.38 -0.64 120.40 128.48 1tfx s VAL 200 Ca 0.13 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1tfx s VAL 200 Cb -0.20 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1tfx s VAL 200 CO -0.15 0.28 -0.17 0.00 0.00 0.00 0.00 175.10 175.07 1tfx n ASN 202 N 4.17 -3.15 -1.56 0.00 3.02 -1.26 -0.80 115.26 115.68 1tfx n ASN 202 Ca -0.19 -1.16 -0.20 0.00 -0.03 0.00 0.00 54.58 53.00 1tfx n ASN 202 Cb 0.51 -2.45 -0.08 0.00 -0.61 0.00 0.00 39.78 37.15 1tfx n ASN 202 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1tfx n GLY 203 N -2.01 1.79 3.12 7.41 0.00 -1.26 -4.97 105.19 109.27 1tfx n GLY 203 Ca -0.17 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 1tfx n GLY 203 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tfx s GLN 204 N -3.75 1.19 -0.55 1.61 -0.21 0.02 -3.51 119.66 114.47 1tfx s GLN 204 Ca 0.00 -0.53 -0.28 0.00 0.02 0.00 0.00 55.36 54.57 1tfx s GLN 204 Cb 0.00 -1.15 0.03 0.00 1.00 0.00 0.00 33.01 32.88 1tfx s GLN 204 CO 0.00 0.32 1.22 -1.17 -2.12 0.00 0.00 175.29 173.53 1tfx s LEU 209 N -0.34 3.49 -0.21 2.90 2.96 0.91 -0.07 118.68 128.31 1tfx s LEU 209 Ca 0.06 0.23 0.06 0.00 -0.22 0.00 0.00 54.13 54.26 1tfx s LEU 209 Cb -0.06 -3.25 -0.21 0.00 0.50 0.00 0.00 46.19 43.17 1tfx s LEU 209 CO -0.01 -1.46 -0.02 0.00 -1.32 0.00 0.00 176.35 173.54 1tfx n GLN 210 N 8.33 0.67 -4.17 1.98 1.13 0.18 -3.73 117.38 121.78 1tfx n GLN 210 Ca 0.10 0.13 -0.10 0.00 -1.94 0.00 0.00 57.00 55.18 1tfx n GLN 210 Cb 0.49 -1.56 -0.10 0.00 0.11 0.00 0.00 30.24 29.18 1tfx n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1tfx s GLY 211 N -6.03 0.92 -0.07 1.08 0.00 -0.85 -0.85 107.32 101.51 1tfx s GLY 211 Ca -0.25 -1.44 0.03 0.00 0.00 0.00 0.00 44.72 43.07 1tfx s GLY 211 CO 0.70 -1.42 -0.18 -0.42 0.00 0.00 0.00 173.10 171.78 1tfx s ILE 212 N -3.85 1.55 0.20 0.90 1.01 -1.13 -1.82 121.20 118.06 1tfx s ILE 212 Ca 0.19 -0.73 -0.32 0.00 0.00 0.00 0.00 60.65 59.79 1tfx s ILE 212 Cb 0.07 -1.36 -0.11 0.00 0.01 0.00 0.00 42.46 41.06 1tfx s ILE 212 CO -0.01 0.45 1.68 -0.69 0.00 0.00 0.00 174.94 176.37 1tfx s VAL 213 N 0.43 2.19 0.00 2.92 1.01 -0.77 -1.63 120.40 124.55 1tfx s VAL 213 Ca -0.14 0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1tfx s VAL 213 Cb -0.16 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.13 1tfx s VAL 213 CO 0.05 0.01 0.00 -0.24 0.00 0.00 0.00 175.10 174.93 1tfx n SER 214 N 3.96 0.00 -3.09 3.32 2.88 -1.19 -1.39 113.62 118.11 1tfx n SER 214 Ca 0.15 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.56 1tfx n SER 214 Cb 0.36 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.80 1tfx n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1tfx s TRP 215 N -0.66 0.78 0.00 0.66 1.48 -0.91 -4.90 118.94 115.40 1tfx s TRP 215 Ca 0.00 -1.16 0.00 0.00 -1.06 0.00 0.00 56.10 53.88 1tfx s TRP 215 Cb 0.00 0.21 0.00 0.00 -1.16 0.00 0.00 33.47 32.52 1tfx s TRP 215 CO 0.00 -1.29 0.00 0.41 -4.06 0.00 0.00 176.95 172.01 1tfx n GLY 216 N -0.57 0.81 3.43 3.67 0.00 -1.26 0.27 105.19 111.54 1tfx n GLY 216 Ca -0.02 -0.73 -0.44 0.00 0.00 0.00 0.00 46.02 44.83 1tfx n GLY 216 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tfx s TYR 217 N -2.00 3.08 0.00 1.61 1.51 -1.26 -4.89 117.35 115.40 1tfx s TYR 217 Ca 0.00 -1.25 0.00 0.00 -1.01 0.00 0.00 57.07 54.81 1tfx s TYR 217 Cb 0.00 -4.22 0.00 0.00 -0.11 0.00 0.00 41.96 37.63 1tfx s TYR 217 CO 0.00 -1.46 0.00 0.41 -1.11 0.00 0.00 175.55 173.39 1tfx n GLY 219 N 5.33 -0.99 2.75 0.71 0.00 -1.26 -4.73 105.19 106.99 1tfx n GLY 219 Ca 0.15 -1.41 -0.18 0.00 0.00 0.00 0.00 46.02 44.58 1tfx n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tfx n ALA 221 N 4.61 -0.63 -2.06 0.00 0.00 -1.26 -4.65 120.51 116.52 1tfx n ALA 221 Ca -0.18 0.17 -0.34 0.00 0.00 0.00 0.00 53.44 53.09 1tfx n ALA 221 Cb 0.50 -2.08 -0.06 0.00 0.00 0.00 0.00 19.45 17.81 1tfx n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1tfx s GLN 221 N -4.98 4.13 0.26 0.00 -1.52 -1.26 -1.20 119.66 115.08 1tfx s GLN 221 Ca 0.00 0.82 -0.31 0.00 -1.95 0.00 0.00 55.36 53.93 1tfx s GLN 221 Cb 0.00 -2.51 -0.13 0.00 -0.22 0.00 0.00 33.01 30.15 1tfx s GLN 221 CO 0.00 0.19 1.45 1.17 -0.25 0.00 0.00 175.29 177.84 1tfx n LYS 222 N -0.11 2.20 -0.90 2.91 4.81 -1.26 -1.71 118.16 124.09 1tfx n LYS 222 Ca 0.03 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 1tfx n LYS 222 Cb 0.53 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 33.11 1tfx n LYS 222 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1tfx n ASN 223 N 2.09 -4.66 -3.58 3.14 4.05 0.14 -4.87 115.26 111.57 1tfx n ASN 223 Ca 0.10 0.00 -0.27 0.00 0.45 0.00 0.00 54.58 54.86 1tfx n ASN 223 Cb 0.33 -3.17 -0.09 0.00 1.23 0.00 0.00 39.78 38.07 1tfx n ASN 223 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1tfx n LYS 224 N 0.25 2.17 -0.92 1.20 4.76 -0.70 -4.65 118.16 120.27 1tfx n LYS 224 Ca 0.00 -4.52 -0.30 0.00 -2.87 0.00 0.00 58.31 50.62 1tfx n LYS 224 Cb 0.38 -2.21 0.25 0.00 -1.84 0.00 0.00 35.03 31.61 1tfx n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1tfx s PRO 225 N -2.02 -1.62 -0.01 1.97 0.04 -1.26 -4.20 135.00 127.89 1tfx s PRO 225 Ca 0.34 -0.02 -0.17 0.00 0.04 0.00 0.00 61.00 61.19 1tfx s PRO 225 Cb 0.08 -1.55 -0.06 0.00 0.04 0.00 0.00 34.50 33.02 1tfx s PRO 225 CO -0.08 -3.98 0.48 0.20 0.04 0.00 0.00 177.00 173.66 1tfx s GLY 226 N -3.72 2.51 -0.24 0.56 0.00 -1.20 -4.54 107.32 100.70 1tfx s GLY 226 Ca 0.70 -0.13 -0.15 0.00 0.00 0.00 0.00 44.72 45.14 1tfx s GLY 226 CO 0.57 0.43 0.36 0.14 0.00 0.00 0.00 173.10 174.60 1tfx s VAL 227 N -0.56 5.20 0.23 1.40 1.01 0.14 -2.39 120.40 125.43 1tfx s VAL 227 Ca 0.26 0.60 0.10 0.00 0.00 0.00 0.00 61.98 62.93 1tfx s VAL 227 Cb -0.17 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1tfx s VAL 227 CO 0.14 0.22 -0.10 -0.31 0.00 0.00 0.00 175.10 175.05 1tfx s TYR 228 N 1.63 2.57 -0.01 5.22 1.51 0.00 -2.15 117.35 126.12 1tfx s TYR 228 Ca 0.16 -0.25 -0.30 0.00 -1.01 0.00 0.00 57.07 55.67 1tfx s TYR 228 Cb -0.15 -1.19 -0.04 0.00 -0.11 0.00 0.00 41.96 40.47 1tfx s TYR 228 CO 0.08 0.58 1.11 0.99 -1.11 0.00 0.00 175.55 177.20 1tfx s THR 229 N -2.04 4.44 -1.03 -0.71 2.01 -0.64 -0.75 115.64 116.91 1tfx s THR 229 Ca 0.27 1.75 -0.23 0.00 0.31 0.00 0.00 61.69 63.79 1tfx s THR 229 Cb -0.07 -4.12 -0.01 0.00 0.01 0.00 0.00 72.50 68.30 1tfx s THR 229 CO 0.16 0.09 1.78 -0.75 -0.69 0.00 0.00 174.62 175.21 1tfx s LYS 230 N 1.44 3.00 0.38 4.92 2.20 -0.80 -2.84 119.74 128.04 1tfx s LYS 230 Ca 0.55 -0.88 0.15 0.00 -0.36 0.00 0.00 55.97 55.42 1tfx s LYS 230 Cb -0.24 -5.23 1.00 0.00 -1.51 0.00 0.00 37.83 31.84 1tfx s LYS 230 CO 0.26 -3.04 1.81 0.28 -0.36 0.00 0.00 175.35 174.29 1tfx h VAL 231 N 6.74 0.64 -0.26 4.02 2.07 -1.30 -1.59 116.25 126.57 1tfx h VAL 231 Ca 0.19 -0.17 0.07 0.00 0.82 0.00 0.00 66.70 67.61 1tfx h VAL 231 Cb 0.98 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1tfx h VAL 231 CO 1.30 0.09 0.28 0.00 0.02 0.00 0.00 177.57 179.26 1tfx n ASN 233 N -3.80 0.00 -0.12 0.00 4.13 -0.60 -3.39 115.26 111.48 1tfx n ASN 233 Ca 0.03 0.27 0.06 0.00 1.68 0.00 0.00 54.58 56.63 1tfx n ASN 233 Cb 0.42 -0.41 0.09 0.00 -1.54 0.00 0.00 39.78 38.33 1tfx n ASN 233 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1tfx n TYR 234 N -1.41 0.00 -0.18 3.10 4.01 0.05 -4.82 117.16 117.91 1tfx n TYR 234 Ca 0.08 -0.72 -0.03 0.00 -0.16 0.00 0.00 57.90 57.07 1tfx n TYR 234 Cb 0.22 -0.11 0.07 0.00 -0.31 0.00 0.00 39.34 39.22 1tfx n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1tfx h VAL 235 N 1.14 0.89 -0.31 -0.72 2.07 -1.58 -1.46 116.25 116.29 1tfx h VAL 235 Ca 0.00 -0.16 -0.17 0.00 0.82 0.00 0.00 66.70 67.19 1tfx h VAL 235 Cb 0.96 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1tfx h VAL 235 CO 0.00 0.09 -0.47 0.78 0.02 0.00 0.00 177.57 177.99 1tfx h ASN 236 N 0.48 0.90 -0.14 0.57 4.21 -1.88 -2.17 115.58 117.55 1tfx h ASN 236 Ca 0.26 -0.45 0.03 0.00 1.21 0.00 0.00 56.30 57.35 1tfx h ASN 236 Cb 0.22 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.14 1tfx h ASN 236 CO -0.21 1.22 -0.02 -0.25 -1.29 0.00 0.00 177.43 176.88 1tfx h TRP 237 N 0.65 -0.04 0.10 1.19 7.01 -1.75 -1.05 115.95 122.06 1tfx h TRP 237 Ca 0.03 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 1tfx h TRP 237 Cb 1.05 0.04 0.00 0.00 -2.10 0.00 0.00 29.16 28.15 1tfx h TRP 237 CO 0.06 -0.04 -0.05 0.82 -2.79 0.00 0.00 178.44 176.45 1tfx h ILE 238 N 0.03 0.91 -0.53 2.65 2.04 -1.27 -0.80 117.51 120.54 1tfx h ILE 238 Ca 0.07 -0.02 0.11 0.00 1.00 0.00 0.00 64.86 66.02 1tfx h ILE 238 Cb 0.09 0.92 -0.10 0.00 -0.74 0.00 0.00 36.82 36.99 1tfx h ILE 238 CO -0.13 0.00 -0.15 1.56 0.00 0.00 0.00 178.15 179.43 1tfx h GLN 239 N -0.14 -0.02 -0.23 2.37 4.20 -0.92 0.11 115.11 120.49 1tfx h GLN 239 Ca -0.01 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 1tfx h GLN 239 Cb 0.11 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1tfx h GLN 239 CO 0.02 -0.02 0.02 1.96 -0.67 0.00 0.00 178.83 180.15 1tfx h GLN 240 N -0.02 0.39 0.19 1.46 4.20 -1.06 -0.94 115.11 119.33 1tfx h GLN 240 Ca 0.25 -0.11 0.01 0.00 0.06 0.00 0.00 58.65 58.86 1tfx h GLN 240 Cb 0.41 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1tfx h GLN 240 CO -0.56 0.54 -0.31 1.15 -0.67 0.00 0.00 178.83 178.99 1tfx h THR 241 N 0.18 0.35 0.04 -0.54 2.02 -0.17 0.31 112.91 115.10 1tfx h THR 241 Ca 0.07 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.25 1tfx h THR 241 Cb 0.35 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1tfx h THR 241 CO 0.01 0.00 -0.07 0.40 0.37 0.00 0.00 175.52 176.23 1tfx h ILE 242 N -0.57 0.84 -0.84 3.11 2.04 -0.82 -1.20 117.51 120.07 1tfx h ILE 242 Ca 0.01 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.98 1tfx h ILE 242 Cb 0.57 0.84 -0.06 0.00 -0.74 0.00 0.00 36.82 37.43 1tfx h ILE 242 CO -0.13 0.00 0.54 0.00 0.00 0.00 0.00 178.15 178.56 1tfx h ALA 243 N 0.81 1.75 -0.02 1.87 0.00 -0.90 -2.24 119.26 120.53 1tfx h ALA 243 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1tfx h ALA 243 Cb 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1tfx h ALA 243 CO -0.04 0.07 -0.09 0.00 0.00 0.00 0.00 179.25 179.20 1tfx n ALA 244 N -2.43 2.72 -0.43 0.00 0.00 0.11 -5.08 120.51 115.40 1tfx n ALA 244 Ca 0.15 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1tfx n ALA 244 Cb 0.35 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1tfx n ALA 244 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59