#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rfn s VAL 17 N 0.00 4.93 -1.21 2.52 1.01 0.12 -4.11 120.40 123.66 1rfn s VAL 17 Ca 0.00 0.90 -0.01 0.00 0.00 0.00 0.00 61.98 62.87 1rfn s VAL 17 Cb 0.00 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1rfn s VAL 17 CO 0.00 0.49 0.14 0.61 0.00 0.00 0.00 175.10 176.34 1rfn n GLY 18 N 1.54 -0.21 0.00 4.51 0.00 -1.20 -1.87 105.19 107.95 1rfn n GLY 18 Ca -0.11 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1rfn n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rfn n GLY 19 N -1.11 2.55 3.16 -0.02 0.00 -1.26 -4.85 105.19 103.66 1rfn n GLY 19 Ca -0.14 -2.10 -0.11 0.00 0.00 0.00 0.00 46.02 43.66 1rfn n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rfn s GLU 20 N -0.07 0.81 -0.02 1.61 2.02 -0.81 -4.93 118.70 117.31 1rfn s GLU 20 Ca 0.00 -1.25 -0.30 0.00 0.02 0.00 0.00 54.97 53.44 1rfn s GLU 20 Cb 0.00 -0.27 -0.04 0.00 0.10 0.00 0.00 34.13 33.92 1rfn s GLU 20 CO 0.00 0.00 1.23 -0.51 0.02 0.00 0.00 175.26 176.00 1rfn s ASP 21 N -2.82 7.03 0.48 -0.19 1.11 -1.26 -1.79 116.67 119.23 1rfn s ASP 21 Ca 0.09 1.90 -0.20 0.00 0.18 0.00 0.00 52.55 54.52 1rfn s ASP 21 Cb 0.03 -2.56 -0.09 0.00 1.07 0.00 0.00 42.92 41.36 1rfn s ASP 21 CO -0.03 -0.58 1.01 0.00 1.18 0.00 0.00 175.17 176.75 1rfn s ALA 22 N 1.99 2.93 0.23 5.23 0.00 -0.40 -4.94 121.76 126.79 1rfn s ALA 22 Ca 0.58 0.50 -0.17 0.00 0.00 0.00 0.00 51.96 52.87 1rfn s ALA 22 Cb -0.27 -3.21 -0.08 0.00 0.00 0.00 0.00 23.12 19.56 1rfn s ALA 22 CO 0.24 -0.21 0.68 0.15 0.00 0.00 0.00 175.76 176.63 1rfn s LYS 23 N -3.33 4.11 0.23 0.00 -0.14 -1.26 -4.87 119.74 114.48 1rfn s LYS 23 Ca 0.65 0.71 -0.31 0.00 -1.36 0.00 0.00 55.97 55.65 1rfn s LYS 23 Cb -0.14 -2.77 -0.14 0.00 -1.68 0.00 0.00 37.83 33.11 1rfn s LYS 23 CO 0.20 0.35 1.34 -2.30 -0.76 0.00 0.00 175.35 174.18 1rfn n PRO 24 N 0.43 1.84 -1.03 -1.68 -0.02 -1.26 -1.66 135.00 131.62 1rfn n PRO 24 Ca -0.01 0.65 -0.01 0.00 -2.02 0.00 0.00 63.50 62.11 1rfn n PRO 24 Cb 0.52 -2.26 -0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1rfn n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rfn n GLY 25 N 2.03 0.48 0.15 -1.23 0.00 -1.26 -4.92 105.19 100.44 1rfn n GLY 25 Ca 0.12 -0.24 0.05 0.00 0.00 0.00 0.00 46.02 45.95 1rfn n GLY 25 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1rfn h GLN 26 N 0.61 0.00 -2.10 1.61 4.15 -1.65 -3.37 115.11 114.36 1rfn h GLN 26 Ca -0.02 0.00 -0.57 0.00 0.77 0.00 0.00 58.65 58.83 1rfn h GLN 26 Cb 0.19 0.00 -0.39 0.00 0.21 0.00 0.00 27.48 27.49 1rfn h GLN 26 CO 0.03 0.35 -1.04 1.19 -1.93 0.00 0.00 178.83 177.43 1rfn n PHE 27 N -3.15 -0.17 0.06 3.99 3.01 -1.26 -4.99 117.46 114.95 1rfn n PHE 27 Ca 0.01 -3.56 0.21 0.00 1.01 0.00 0.00 57.45 55.12 1rfn n PHE 27 Cb 0.69 -0.25 0.74 0.00 -0.01 0.00 0.00 39.48 40.65 1rfn n PHE 27 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1rfn h PRO 28 N 4.36 0.00 0.00 -1.08 0.11 -1.79 -1.75 132.00 131.85 1rfn h PRO 28 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1rfn h PRO 28 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1rfn h PRO 28 CO 0.47 0.00 0.00 0.11 -0.21 0.00 0.00 178.00 178.37 1rfn h TRP 29 N 0.00 0.00 -3.55 0.65 0.09 -1.51 -2.68 115.95 108.94 1rfn h TRP 29 Ca 0.22 0.00 -0.52 0.00 0.09 0.00 0.00 58.89 58.67 1rfn h TRP 29 Cb 1.05 0.00 0.04 0.00 0.08 0.00 0.00 29.16 30.34 1rfn h TRP 29 CO 0.00 0.00 0.65 -1.14 0.09 0.00 0.00 178.44 178.04 1rfn s GLN 30 N -3.14 4.38 0.05 0.12 2.00 -0.66 -0.81 119.66 121.60 1rfn s GLN 30 Ca 0.10 2.12 -0.01 0.00 -2.00 0.00 0.00 55.36 55.57 1rfn s GLN 30 Cb 0.11 -3.15 -0.04 0.00 0.80 0.00 0.00 33.01 30.73 1rfn s GLN 30 CO 0.61 -0.22 -0.03 0.14 -0.50 0.00 0.00 175.29 175.28 1rfn s VAL 31 N -0.36 0.24 0.12 1.34 -7.23 -1.04 -4.25 120.40 109.22 1rfn s VAL 31 Ca 0.54 -1.75 0.11 0.00 -1.81 0.00 0.00 61.98 59.07 1rfn s VAL 31 Cb -0.38 -1.43 -0.04 0.00 0.56 0.00 0.00 36.38 35.09 1rfn s VAL 31 CO 0.43 -0.95 -0.27 0.54 -0.31 0.00 0.00 175.10 174.54 1rfn s VAL 32 N -3.71 2.26 -0.10 1.32 0.11 -0.95 -1.49 120.40 117.84 1rfn s VAL 32 Ca 0.05 -1.73 -0.01 0.00 -2.93 0.00 0.00 61.98 57.36 1rfn s VAL 32 Cb 0.06 -1.99 -0.03 0.00 -1.53 0.00 0.00 36.38 32.89 1rfn s VAL 32 CO -0.09 0.11 -0.04 -0.76 -3.33 0.00 0.00 175.10 170.99 1rfn s LEU 33 N -2.01 3.29 -0.05 2.54 1.43 0.39 -1.91 118.68 122.37 1rfn s LEU 33 Ca 0.14 -0.01 0.05 0.00 -1.03 0.00 0.00 54.13 53.27 1rfn s LEU 33 Cb -0.10 -1.75 -0.00 0.00 0.03 0.00 0.00 46.19 44.37 1rfn s LEU 33 CO 0.06 0.31 -0.18 0.20 0.23 0.00 0.00 176.35 176.96 1rfn s ASN 34 N -0.46 2.29 0.00 2.29 0.01 0.30 -2.20 114.94 117.17 1rfn s ASN 34 Ca 0.07 -0.38 0.00 0.00 -0.71 0.00 0.00 52.86 51.85 1rfn s ASN 34 Cb -0.12 -0.65 0.00 0.00 0.41 0.00 0.00 41.25 40.89 1rfn s ASN 34 CO 0.02 0.16 0.00 0.61 -1.51 0.00 0.00 177.10 176.39 1rfn n GLY 35 N 3.13 2.44 0.39 0.66 0.00 -1.26 -0.57 105.19 109.98 1rfn n GLY 35 Ca -0.18 0.09 0.21 0.00 0.00 0.00 0.00 46.02 46.15 1rfn n GLY 35 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1rfn h LYS 36 N 0.00 0.00 -3.47 1.61 3.64 -1.96 -3.40 116.57 112.98 1rfn h LYS 36 Ca 0.00 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 1rfn h LYS 36 Cb 0.00 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 31.62 1rfn h LYS 36 CO 0.00 0.00 -0.47 0.08 -2.27 0.00 0.00 179.45 176.79 1rfn s VAL 38 N -4.84 0.08 0.30 2.00 1.01 -1.26 -5.15 120.40 112.54 1rfn s VAL 38 Ca -0.05 -0.68 -0.27 0.00 0.00 0.00 0.00 61.98 60.97 1rfn s VAL 38 Cb 0.18 -0.47 -0.09 0.00 0.00 0.00 0.00 36.38 36.00 1rfn s VAL 38 CO 0.66 -0.38 0.97 -1.81 0.00 0.00 0.00 175.10 174.55 1rfn s ASP 39 N -1.41 7.37 -1.54 3.32 1.01 -1.26 -3.79 116.67 120.36 1rfn s ASP 39 Ca -0.14 1.94 -0.14 0.00 0.71 0.00 0.00 52.55 54.92 1rfn s ASP 39 Cb -0.07 -2.60 0.09 0.00 1.01 0.00 0.00 42.92 41.35 1rfn s ASP 39 CO 0.02 -0.05 0.94 0.00 0.21 0.00 0.00 175.17 176.29 1rfn n ALA 40 N 0.86 -1.33 0.35 5.23 0.00 -0.93 -4.85 120.51 119.84 1rfn n ALA 40 Ca 0.01 0.15 0.13 0.00 0.00 0.00 0.00 53.44 53.72 1rfn n ALA 40 Cb 0.48 -4.20 0.34 0.00 0.00 0.00 0.00 19.45 16.08 1rfn n ALA 40 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1rfn h PHE 41 N -2.00 0.00 -3.31 0.00 -0.00 -1.55 -3.45 116.94 106.63 1rfn h PHE 41 Ca -0.58 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 57.37 1rfn h PHE 41 Cb 1.38 0.00 -0.10 0.00 -0.00 0.00 0.00 35.95 37.23 1rfn h PHE 41 CO 0.57 0.00 0.03 0.00 -0.00 0.00 0.00 178.31 178.91 1rfn n GLY 43 N -0.35 3.12 3.01 0.00 0.00 -0.56 -0.46 105.19 109.95 1rfn n GLY 43 Ca -0.09 -2.29 -0.04 0.00 0.00 0.00 0.00 46.02 43.60 1rfn n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rfn n GLY 44 N 0.22 0.91 2.93 -0.02 0.00 -0.56 -3.61 105.19 105.06 1rfn n GLY 44 Ca -0.06 -1.14 -0.11 0.00 0.00 0.00 0.00 46.02 44.71 1rfn n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rfn s SER 45 N -2.82 0.11 -0.28 1.61 0.01 -0.32 -2.50 113.70 109.51 1rfn s SER 45 Ca 0.16 -0.23 -0.27 0.00 1.31 0.00 0.00 55.95 56.92 1rfn s SER 45 Cb -0.03 0.06 0.01 0.00 0.21 0.00 0.00 66.02 66.27 1rfn s SER 45 CO 0.06 -0.15 0.94 -0.63 0.41 0.00 0.00 173.24 173.86 1rfn s ILE 46 N -0.73 4.70 -0.05 1.44 1.01 0.01 -0.24 121.20 127.34 1rfn s ILE 46 Ca -0.08 1.63 -0.09 0.00 0.00 0.00 0.00 60.65 62.10 1rfn s ILE 46 Cb -0.05 -4.25 -0.30 0.00 0.01 0.00 0.00 42.46 37.87 1rfn s ILE 46 CO -0.00 -0.25 0.67 0.58 0.00 0.00 0.00 174.94 175.94 1rfn h VAL 47 N 5.56 0.94 -2.45 2.92 2.07 -0.84 -0.83 116.25 123.63 1rfn h VAL 47 Ca -0.22 -2.54 0.18 0.00 0.82 0.00 0.00 66.70 64.94 1rfn h VAL 47 Cb 1.08 2.74 -0.03 0.00 -1.52 0.00 0.00 31.29 33.56 1rfn h VAL 47 CO 0.94 0.85 0.61 -0.46 0.02 0.00 0.00 177.57 179.53 1rfn n ASN 48 N -3.56 -1.57 -0.47 0.57 0.23 -1.16 -4.67 115.26 104.63 1rfn n ASN 48 Ca -0.24 -1.77 0.41 0.00 -0.53 0.00 0.00 54.58 52.45 1rfn n ASN 48 Cb 1.07 2.54 0.75 0.00 -2.08 0.00 0.00 39.78 42.06 1rfn n ASN 48 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1rfn h GLU 49 N 0.00 0.04 -0.00 -3.83 3.07 -1.96 -2.02 114.58 109.87 1rfn h GLU 49 Ca -0.25 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 1rfn h GLU 49 Cb 1.14 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 1rfn h GLU 49 CO 0.34 0.02 -0.17 1.63 -1.40 0.00 0.00 179.01 179.44 1rfn n LYS 50 N -4.19 2.66 -4.69 2.33 5.02 -1.26 -0.55 118.16 117.48 1rfn n LYS 50 Ca 0.34 -0.43 -0.24 0.00 -2.02 0.00 0.00 58.31 55.96 1rfn n LYS 50 Cb 1.51 -0.96 -0.15 0.00 -0.02 0.00 0.00 35.03 35.42 1rfn n LYS 50 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1rfn s TRP 51 N -1.16 1.50 0.03 2.13 0.52 -0.76 -1.38 118.94 119.81 1rfn s TRP 51 Ca 0.05 -0.31 0.09 0.00 0.02 0.00 0.00 56.10 55.95 1rfn s TRP 51 Cb 0.05 -0.94 -0.03 0.00 -1.15 0.00 0.00 33.47 31.41 1rfn s TRP 51 CO 0.19 0.00 -0.26 0.42 0.02 0.00 0.00 176.95 177.32 1rfn s ILE 52 N -0.52 2.17 -0.04 2.03 1.09 -0.85 -0.11 121.20 124.97 1rfn s ILE 52 Ca 0.06 -1.30 0.01 0.00 -1.10 0.00 0.00 60.65 58.32 1rfn s ILE 52 Cb -0.07 -1.82 -0.03 0.00 -1.06 0.00 0.00 42.46 39.47 1rfn s ILE 52 CO 0.00 0.42 -0.04 -0.69 -0.10 0.00 0.00 174.94 174.53 1rfn s VAL 53 N -0.76 3.90 0.02 2.92 1.01 0.66 -1.59 120.40 126.56 1rfn s VAL 53 Ca 0.11 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 1rfn s VAL 53 Cb -0.10 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.62 1rfn s VAL 53 CO 0.01 0.50 0.04 1.07 0.00 0.00 0.00 175.10 176.72 1rfn n THR 54 N 1.85 0.00 -3.27 3.92 5.66 -0.76 -1.17 114.28 120.51 1rfn n THR 54 Ca -0.17 -0.05 -0.35 0.00 -3.05 0.00 0.00 64.05 60.44 1rfn n THR 54 Cb 0.53 0.05 -0.06 0.00 -1.55 0.00 0.00 70.33 69.30 1rfn n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1rfn s ALA 55 N -1.05 3.49 0.20 1.79 0.00 -1.26 -0.96 121.76 123.98 1rfn s ALA 55 Ca 0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 51.96 51.88 1rfn s ALA 55 Cb -0.00 -2.62 0.15 0.00 0.00 0.00 0.00 23.12 20.64 1rfn s ALA 55 CO 0.01 0.41 1.56 0.00 0.00 0.00 0.00 175.76 177.74 1rfn h ALA 56 N 3.16 0.78 0.00 0.00 0.00 -1.75 -2.98 119.26 118.46 1rfn h ALA 56 Ca -0.48 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1rfn h ALA 56 Cb 1.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1rfn h ALA 56 CO 0.66 0.66 0.00 -2.39 0.00 0.00 0.00 179.25 178.18 1rfn n HIS 57 N -4.03 0.00 0.27 0.00 1.44 -1.26 -1.94 115.22 109.70 1rfn n HIS 57 Ca -0.02 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.81 1rfn n HIS 57 Cb 0.53 -0.21 0.18 0.00 0.12 0.00 0.00 29.99 30.60 1rfn n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1rfn s VAL 59 N -3.22 5.21 -0.14 0.00 1.01 -0.82 -5.03 120.40 117.42 1rfn s VAL 59 Ca 0.06 -2.44 -0.20 0.00 0.00 0.00 0.00 61.98 59.40 1rfn s VAL 59 Cb 0.07 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 1rfn s VAL 59 CO 0.68 -0.98 0.57 -0.70 0.00 0.00 0.00 175.10 174.67 1rfn s GLU 60 N 0.30 4.30 0.38 2.72 2.12 -1.26 -5.01 118.70 122.25 1rfn s GLU 60 Ca 0.16 0.58 -0.23 0.00 0.36 0.00 0.00 54.97 55.84 1rfn s GLU 60 Cb -0.14 -3.49 -0.14 0.00 0.26 0.00 0.00 34.13 30.61 1rfn s GLU 60 CO -0.07 -0.01 0.39 2.41 -0.54 0.00 0.00 175.26 177.44 1rfn n THR 60 N 4.09 1.39 0.00 -1.70 -1.04 -1.26 -3.02 114.28 112.74 1rfn n THR 60 Ca -0.04 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.47 1rfn n THR 60 Cb 0.51 -0.28 0.00 0.00 -1.82 0.00 0.00 70.33 68.74 1rfn n THR 60 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rfn n GLY 61 N 2.00 2.40 3.70 3.41 0.00 -1.26 -5.02 105.19 110.43 1rfn n GLY 61 Ca 0.12 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 1rfn n GLY 61 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1rfn n VAL 62 N 0.00 0.33 -2.76 1.61 0.31 -1.17 -4.94 118.33 111.71 1rfn n VAL 62 Ca 0.00 -0.08 -0.43 0.00 -0.01 0.00 0.00 64.34 63.82 1rfn n VAL 62 Cb 0.00 -1.79 -0.03 0.00 -0.91 0.00 0.00 33.84 31.11 1rfn n VAL 62 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1rfn s LYS 63 N 0.55 3.97 -0.02 5.55 2.20 -1.26 -4.95 119.74 125.78 1rfn s LYS 63 Ca 0.73 0.80 -0.17 0.00 -0.36 0.00 0.00 55.97 56.96 1rfn s LYS 63 Cb -0.57 -3.76 -0.05 0.00 -1.51 0.00 0.00 37.83 31.94 1rfn s LYS 63 CO 0.39 -0.87 0.48 0.42 -0.36 0.00 0.00 175.35 175.42 1rfn s ILE 64 N 3.44 4.99 -0.11 5.43 1.01 -1.26 -4.42 121.20 130.28 1rfn s ILE 64 Ca 0.40 0.99 0.03 0.00 0.00 0.00 0.00 60.65 62.07 1rfn s ILE 64 Cb -0.12 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.54 1rfn s ILE 64 CO 0.16 0.49 -0.23 -0.89 0.00 0.00 0.00 174.94 174.47 1rfn s THR 65 N -0.54 2.14 -0.17 2.92 2.01 0.26 -3.55 115.64 118.73 1rfn s THR 65 Ca 0.26 -0.98 -0.04 0.00 0.31 0.00 0.00 61.69 61.24 1rfn s THR 65 Cb -0.17 -1.83 -0.03 0.00 0.01 0.00 0.00 72.50 70.48 1rfn s THR 65 CO 0.14 0.55 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.91 1rfn s VAL 66 N 0.46 3.90 -0.16 3.82 1.01 -0.33 -0.54 120.40 128.56 1rfn s VAL 66 Ca -0.15 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1rfn s VAL 66 Cb -0.17 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.49 1rfn s VAL 66 CO 0.06 0.48 -0.16 -0.69 0.00 0.00 0.00 175.10 174.79 1rfn s VAL 67 N 0.51 2.59 0.24 2.92 1.01 -0.80 -1.01 120.40 125.87 1rfn s VAL 67 Ca -0.03 -0.79 0.08 0.00 0.00 0.00 0.00 61.98 61.24 1rfn s VAL 67 Cb -0.14 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1rfn s VAL 67 CO 0.03 0.51 0.12 0.00 0.00 0.00 0.00 175.10 175.76 1rfn s ALA 68 N 0.94 3.44 -0.83 5.51 0.00 -0.34 -2.24 121.76 128.25 1rfn s ALA 68 Ca -0.03 -1.46 -0.01 0.00 0.00 0.00 0.00 51.96 50.46 1rfn s ALA 68 Cb -0.15 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.83 1rfn s ALA 68 CO -0.02 0.29 0.14 0.41 0.00 0.00 0.00 175.76 176.58 1rfn n GLY 69 N -0.96 0.01 3.85 0.00 0.00 -1.25 -0.83 105.19 106.01 1rfn n GLY 69 Ca -0.08 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 1rfn n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rfn s GLU 70 N -4.79 3.81 0.00 1.61 0.41 -1.26 -2.96 118.70 115.52 1rfn s GLU 70 Ca 0.07 0.26 0.00 0.00 -0.41 0.00 0.00 54.97 54.89 1rfn s GLU 70 Cb -0.03 -3.12 0.00 0.00 -1.78 0.00 0.00 34.13 29.19 1rfn s GLU 70 CO 0.09 0.64 0.00 1.58 -0.49 0.00 0.00 175.26 177.08 1rfn n HIS 71 N 1.45 0.00 -3.38 1.61 -0.00 -1.26 -4.92 115.22 108.72 1rfn n HIS 71 Ca -0.12 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.18 1rfn n HIS 71 Cb 0.53 0.18 -0.09 0.00 -0.00 0.00 0.00 29.99 30.60 1rfn n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1rfn s ASN 72 N -2.03 6.17 0.23 0.26 3.84 -1.26 -2.37 114.94 119.78 1rfn s ASN 72 Ca 0.00 -0.56 0.18 0.00 0.21 0.00 0.00 52.86 52.70 1rfn s ASN 72 Cb 0.00 -2.20 0.89 0.00 -0.55 0.00 0.00 41.25 39.39 1rfn s ASN 72 CO 0.00 -0.46 1.56 0.00 -2.79 0.00 0.00 177.10 175.41 1rfn n ILE 73 N 5.31 1.11 -0.09 -5.21 0.13 0.15 -2.75 119.36 118.01 1rfn n ILE 73 Ca -0.09 0.51 -0.15 0.00 -1.10 0.00 0.00 62.75 61.92 1rfn n ILE 73 Cb 0.48 -1.46 -0.14 0.00 -0.84 0.00 0.00 39.64 37.68 1rfn n ILE 73 CO 0.00 0.00 0.00 1.21 2.80 0.00 0.00 176.55 180.56 1rfn n GLU 74 N -2.07 0.68 -3.08 9.51 4.07 -1.26 -5.02 120.64 123.47 1rfn n GLU 74 Ca 0.00 0.13 -0.20 0.00 -0.06 0.00 0.00 57.16 57.04 1rfn n GLU 74 Cb 0.10 -1.57 0.06 0.00 -0.06 0.00 0.00 31.44 29.96 1rfn n GLU 74 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1rfn s GLU 75 N -2.52 2.33 -0.63 5.31 8.01 -1.11 -5.09 118.70 124.99 1rfn s GLU 75 Ca -0.23 -1.64 -0.03 0.00 0.01 0.00 0.00 54.97 53.08 1rfn s GLU 75 Cb 0.08 -2.63 0.16 0.00 -4.31 0.00 0.00 34.13 27.43 1rfn s GLU 75 CO 0.72 -0.82 0.45 0.99 0.01 0.00 0.00 175.26 176.60 1rfn s THR 76 N -2.66 3.75 -0.31 3.63 2.01 -1.26 -4.79 115.64 116.01 1rfn s THR 76 Ca 0.60 -2.94 0.27 0.00 0.31 0.00 0.00 61.69 59.92 1rfn s THR 76 Cb -0.06 -3.45 0.29 0.00 0.01 0.00 0.00 72.50 69.30 1rfn s THR 76 CO 0.38 -0.88 1.79 -0.33 -0.69 0.00 0.00 174.62 174.89 1rfn h GLU 77 N 7.05 0.00 -0.02 4.92 3.07 -1.94 -3.46 114.58 124.19 1rfn h GLU 77 Ca -0.01 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1rfn h GLU 77 Cb 0.95 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.86 1rfn h GLU 77 CO 0.71 0.00 -0.01 0.72 -1.40 0.00 0.00 179.01 179.03 1rfn n HIS 78 N -2.49 0.00 0.43 4.33 8.25 -1.26 -4.83 115.22 119.65 1rfn n HIS 78 Ca 0.02 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.52 1rfn n HIS 78 Cb 0.25 -0.34 -0.05 0.00 1.12 0.00 0.00 29.99 30.97 1rfn n HIS 78 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1rfn n THR 79 N -2.93 0.00 -1.52 1.59 -2.24 -1.26 -5.03 114.28 102.89 1rfn n THR 79 Ca -0.01 -0.28 -0.35 0.00 -2.27 0.00 0.00 64.05 61.15 1rfn n THR 79 Cb 0.05 0.99 0.08 0.00 -2.10 0.00 0.00 70.33 69.35 1rfn n THR 79 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1rfn s GLU 80 N -1.89 2.27 -0.22 -0.78 8.01 -1.15 -4.37 118.70 120.56 1rfn s GLU 80 Ca 0.03 1.78 -0.03 0.00 0.01 0.00 0.00 54.97 56.76 1rfn s GLU 80 Cb 0.07 -1.85 0.11 0.00 -4.31 0.00 0.00 34.13 28.16 1rfn s GLU 80 CO 0.38 -1.74 0.30 -0.65 0.01 0.00 0.00 175.26 173.56 1rfn s GLN 81 N -3.82 0.27 0.11 1.61 -0.21 -0.01 -4.96 119.66 112.65 1rfn s GLN 81 Ca 0.75 0.38 -0.16 0.00 0.02 0.00 0.00 55.36 56.35 1rfn s GLN 81 Cb -0.30 -0.83 -0.07 0.00 1.00 0.00 0.00 33.01 32.82 1rfn s GLN 81 CO 0.44 -0.65 0.53 0.15 -2.12 0.00 0.00 175.29 173.64 1rfn s LYS 82 N 2.44 4.03 0.02 2.91 1.02 -1.26 -1.19 119.74 127.71 1rfn s LYS 82 Ca 0.10 0.54 -0.08 0.00 0.02 0.00 0.00 55.97 56.55 1rfn s LYS 82 Cb -0.16 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.11 1rfn s LYS 82 CO -0.14 0.55 0.16 1.03 -0.92 0.00 0.00 175.35 176.03 1rfn s ARG 83 N -1.63 0.59 0.01 1.68 1.81 -0.18 -4.99 118.95 116.24 1rfn s ARG 83 Ca 0.34 -0.56 0.01 0.00 -1.72 0.00 0.00 55.73 53.80 1rfn s ARG 83 Cb -0.16 0.24 -0.04 0.00 -0.45 0.00 0.00 34.95 34.54 1rfn s ARG 83 CO 0.18 -0.16 0.02 -0.80 -0.68 0.00 0.00 175.30 173.87 1rfn s ASN 84 N -1.81 5.23 -0.16 0.23 0.01 -1.26 -1.19 114.94 115.99 1rfn s ASN 84 Ca -0.09 0.01 -0.23 0.00 -0.71 0.00 0.00 52.86 51.85 1rfn s ASN 84 Cb -0.04 -1.39 -0.02 0.00 0.41 0.00 0.00 41.25 40.21 1rfn s ASN 84 CO -0.02 0.27 0.70 -0.69 -1.51 0.00 0.00 177.10 175.85 1rfn s VAL 85 N -1.13 4.99 -1.52 1.60 1.01 -1.23 -0.40 120.40 123.72 1rfn s VAL 85 Ca 0.21 1.36 0.15 0.00 0.00 0.00 0.00 61.98 63.71 1rfn s VAL 85 Cb -0.12 -4.02 0.34 0.00 0.00 0.00 0.00 36.38 32.59 1rfn s VAL 85 CO 0.12 0.12 1.26 2.30 0.00 0.00 0.00 175.10 178.90 1rfn n ILE 86 N 4.48 0.70 -3.64 2.22 -5.35 0.82 -4.90 119.36 113.69 1rfn n ILE 86 Ca 0.00 -0.85 -0.06 0.00 -0.27 0.00 0.00 62.75 61.57 1rfn n ILE 86 Cb 0.50 0.75 -0.06 0.00 -1.74 0.00 0.00 39.64 39.08 1rfn n ILE 86 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1rfn s ARG 87 N -1.10 0.26 -0.08 6.28 3.52 -1.23 -4.95 118.95 121.65 1rfn s ARG 87 Ca 0.29 0.25 0.02 0.00 -0.13 0.00 0.00 55.73 56.16 1rfn s ARG 87 Cb 0.16 0.13 0.01 0.00 -1.56 0.00 0.00 34.95 33.69 1rfn s ARG 87 CO 0.22 -0.04 -0.15 0.42 -0.81 0.00 0.00 175.30 174.93 1rfn s ILE 88 N -0.13 1.40 -0.41 4.11 1.01 -1.26 -1.52 121.20 124.39 1rfn s ILE 88 Ca 0.05 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.10 1rfn s ILE 88 Cb -0.04 -1.26 0.12 0.00 0.01 0.00 0.00 42.46 41.29 1rfn s ILE 88 CO -0.10 0.41 0.19 -0.63 0.00 0.00 0.00 174.94 174.81 1rfn s ILE 89 N 0.68 1.64 0.50 2.92 1.01 -0.45 -4.98 121.20 122.53 1rfn s ILE 89 Ca -0.14 -2.43 -0.18 0.00 0.00 0.00 0.00 60.65 57.90 1rfn s ILE 89 Cb -0.16 -2.17 -0.08 0.00 0.01 0.00 0.00 42.46 40.05 1rfn s ILE 89 CO 0.04 -0.79 1.00 -2.84 0.00 0.00 0.00 174.94 172.34 1rfn s PRO 90 N 0.57 3.90 0.33 2.79 0.02 -1.26 -1.01 135.00 140.34 1rfn s PRO 90 Ca 0.15 1.09 -0.29 0.00 0.02 0.00 0.00 61.00 61.97 1rfn s PRO 90 Cb -0.23 -2.12 -0.12 0.00 0.02 0.00 0.00 34.50 32.05 1rfn s PRO 90 CO -0.06 -0.32 1.49 1.58 -0.33 0.00 0.00 177.00 179.36 1rfn n HIS 91 N -1.32 2.76 0.26 6.54 -0.00 -0.91 -4.84 115.22 117.70 1rfn n HIS 91 Ca 0.07 0.40 0.18 0.00 -0.00 0.00 0.00 57.72 58.37 1rfn n HIS 91 Cb 0.54 -2.53 0.91 0.00 -0.00 0.00 0.00 29.99 28.91 1rfn n HIS 91 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 1rfn h HIS 92 N 3.61 0.00 -0.00 1.57 2.07 -1.93 0.61 115.15 121.09 1rfn h HIS 92 Ca -0.48 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 1rfn h HIS 92 Cb 1.25 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.23 1rfn h HIS 92 CO 0.55 0.00 -0.24 0.09 -3.07 0.00 0.00 177.93 175.26 1rfn n ASN 93 N -3.52 0.37 -4.71 3.10 4.13 -1.26 -4.86 115.26 108.51 1rfn n ASN 93 Ca -0.00 -0.14 -0.42 0.00 1.68 0.00 0.00 54.58 55.70 1rfn n ASN 93 Cb 0.27 -0.07 -0.03 0.00 -1.54 0.00 0.00 39.78 38.42 1rfn n ASN 93 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1rfn s TYR 94 N -2.84 3.35 0.34 3.10 5.04 0.20 -4.89 117.35 121.66 1rfn s TYR 94 Ca 0.17 1.20 -0.05 0.00 -2.44 0.00 0.00 57.07 55.96 1rfn s TYR 94 Cb 0.19 -3.48 0.01 0.00 0.35 0.00 0.00 41.96 39.02 1rfn s TYR 94 CO 0.58 -1.55 0.51 1.21 -1.34 0.00 0.00 175.55 174.96 1rfn s ASN 95 N 1.14 0.74 0.00 4.32 3.84 -1.26 -4.95 114.94 118.77 1rfn s ASN 95 Ca 0.60 -1.41 0.00 0.00 0.21 0.00 0.00 52.86 52.26 1rfn s ASN 95 Cb -0.31 0.68 0.00 0.00 -0.55 0.00 0.00 41.25 41.08 1rfn s ASN 95 CO 0.29 -1.34 0.00 0.00 -2.79 0.00 0.00 177.10 173.26 1rfn n ALA 95 N -0.55 0.00 -0.01 1.71 0.00 -1.26 -1.34 120.51 119.06 1rfn n ALA 95 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1rfn n ALA 95 Cb 0.61 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.97 1rfn n ALA 95 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1rfn h ILE 96 N 0.00 1.25 -2.36 0.00 5.03 -2.01 -3.47 117.51 115.95 1rfn h ILE 96 Ca 0.00 -1.55 -0.08 0.00 -0.12 0.00 0.00 64.86 63.11 1rfn h ILE 96 Cb 0.00 2.19 -0.21 0.00 -3.03 0.00 0.00 36.82 35.76 1rfn h ILE 96 CO 0.00 0.36 -0.02 0.21 -0.68 0.00 0.00 178.15 178.02 1rfn s ASN 97 N -5.79 -0.56 0.00 1.72 3.84 -0.45 -5.07 114.94 108.63 1rfn s ASN 97 Ca -0.15 0.95 0.20 0.00 0.21 0.00 0.00 52.86 54.08 1rfn s ASN 97 Cb -0.01 0.96 0.27 0.00 -0.55 0.00 0.00 41.25 41.92 1rfn s ASN 97 CO 0.56 -0.31 1.23 2.29 -2.79 0.00 0.00 177.10 178.09 1rfn n LYS 98 N 2.25 2.07 0.00 0.43 2.85 -1.26 -4.13 118.16 120.36 1rfn n LYS 98 Ca -0.16 -1.92 0.00 0.00 -1.05 0.00 0.00 58.31 55.18 1rfn n LYS 98 Cb 0.56 -1.41 0.00 0.00 -0.65 0.00 0.00 35.03 33.53 1rfn n LYS 98 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1rfn n TYR 99 N 1.19 0.00 -3.33 5.58 4.01 -1.26 -4.47 117.16 118.88 1rfn n TYR 99 Ca 0.14 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.50 1rfn n TYR 99 Cb 0.52 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.48 1rfn n TYR 99 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1rfn s ASN 100 N -0.11 6.45 -0.70 7.72 3.04 -1.26 -3.59 114.94 126.50 1rfn s ASN 100 Ca 0.00 0.54 -0.03 0.00 0.04 0.00 0.00 52.86 53.41 1rfn s ASN 100 Cb 0.00 -2.25 0.00 0.00 -1.54 0.00 0.00 41.25 37.46 1rfn s ASN 100 CO 0.00 -0.15 0.40 1.41 -3.04 0.00 0.00 177.10 175.72 1rfn n HIS 101 N 4.79 -1.10 -1.76 0.43 8.25 -1.26 -4.49 115.22 120.08 1rfn n HIS 101 Ca -0.07 0.34 -0.39 0.00 -0.26 0.00 0.00 57.72 57.34 1rfn n HIS 101 Cb 0.51 -2.76 -0.04 0.00 1.12 0.00 0.00 29.99 28.82 1rfn n HIS 101 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1rfn n ASP 102 N -0.42 3.38 -3.72 0.41 2.03 -1.24 -4.58 116.55 112.42 1rfn n ASP 102 Ca -0.03 -2.76 -0.13 0.00 0.52 0.00 0.00 54.79 52.39 1rfn n ASP 102 Cb 0.55 -1.50 -0.10 0.00 -0.72 0.00 0.00 41.12 39.34 1rfn n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1rfn s ILE 103 N 6.01 -0.00 0.06 5.18 2.07 -1.26 -3.87 121.20 129.38 1rfn s ILE 103 Ca 0.57 0.02 -0.08 0.00 -1.41 0.00 0.00 60.65 59.75 1rfn s ILE 103 Cb 0.09 -0.59 -0.00 0.00 0.13 0.00 0.00 42.46 42.08 1rfn s ILE 103 CO 0.07 0.01 0.16 0.00 -1.91 0.00 0.00 174.94 173.27 1rfn s ALA 104 N 0.45 -0.18 0.04 1.50 0.00 -0.13 -2.14 121.76 121.30 1rfn s ALA 104 Ca -0.02 -0.55 0.06 0.00 0.00 0.00 0.00 51.96 51.45 1rfn s ALA 104 Cb -0.04 0.37 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 1rfn s ALA 104 CO -0.02 -0.42 -0.14 -0.51 0.00 0.00 0.00 175.76 174.67 1rfn s LEU 105 N -2.52 2.83 -0.10 0.00 1.43 -0.18 -1.84 118.68 118.30 1rfn s LEU 105 Ca 0.01 -0.35 -0.00 0.00 -1.03 0.00 0.00 54.13 52.76 1rfn s LEU 105 Cb 0.02 -1.65 0.02 0.00 0.03 0.00 0.00 46.19 44.62 1rfn s LEU 105 CO -0.08 0.25 -0.08 -0.76 0.23 0.00 0.00 176.35 175.92 1rfn s LEU 106 N -1.56 1.19 -0.13 1.79 1.43 -0.62 -1.34 118.68 119.44 1rfn s LEU 106 Ca 0.16 -0.29 -0.17 0.00 -1.03 0.00 0.00 54.13 52.80 1rfn s LEU 106 Cb -0.11 -0.81 -0.04 0.00 0.03 0.00 0.00 46.19 45.26 1rfn s LEU 106 CO 0.07 -0.11 0.44 -0.70 0.23 0.00 0.00 176.35 176.29 1rfn s GLU 107 N 1.61 4.31 0.31 1.70 2.12 -0.58 -2.00 118.70 126.17 1rfn s GLU 107 Ca 0.03 0.37 -0.17 0.00 0.36 0.00 0.00 54.97 55.56 1rfn s GLU 107 Cb -0.13 -3.45 -0.09 0.00 0.26 0.00 0.00 34.13 30.73 1rfn s GLU 107 CO -0.07 0.15 0.75 -0.51 -0.54 0.00 0.00 175.26 175.04 1rfn s LEU 108 N 0.68 4.13 0.11 2.70 1.43 -0.48 -0.13 118.68 127.12 1rfn s LEU 108 Ca 0.24 1.35 -0.17 0.00 -1.03 0.00 0.00 54.13 54.52 1rfn s LEU 108 Cb -0.15 -3.99 -0.04 0.00 0.03 0.00 0.00 46.19 42.03 1rfn s LEU 108 CO 0.09 -0.16 1.60 -2.24 0.23 0.00 0.00 176.35 175.88 1rfn h ASP 109 N 2.52 0.49 -4.34 2.29 2.03 -1.08 -3.44 116.42 114.89 1rfn h ASP 109 Ca -0.48 -0.23 -0.60 0.00 -0.73 0.00 0.00 57.03 54.99 1rfn h ASP 109 Cb 1.18 -0.13 -0.27 0.00 -0.83 0.00 0.00 39.33 39.28 1rfn h ASP 109 CO 0.65 0.60 -0.85 -0.70 -1.03 0.00 0.00 179.24 177.91 1rfn s GLU 110 N -5.29 1.53 0.44 4.15 2.56 -1.26 -5.07 118.70 115.77 1rfn s GLU 110 Ca -0.13 -0.88 -0.24 0.00 0.00 0.00 0.00 54.97 53.71 1rfn s GLU 110 Cb 0.09 -1.59 -0.08 0.00 2.00 0.00 0.00 34.13 34.55 1rfn s GLU 110 CO 0.75 0.42 1.25 -2.14 -0.56 0.00 0.00 175.26 174.98 1rfn s PRO 111 N -0.92 3.79 0.50 4.30 0.02 -1.26 -4.90 135.00 136.53 1rfn s PRO 111 Ca 0.08 2.01 -0.19 0.00 0.02 0.00 0.00 61.00 62.93 1rfn s PRO 111 Cb -0.09 -2.57 -0.08 0.00 0.02 0.00 0.00 34.50 31.79 1rfn s PRO 111 CO 0.01 -0.59 1.01 -0.51 -0.33 0.00 0.00 177.00 176.59 1rfn s LEU 112 N -2.78 3.74 -0.36 -5.54 1.43 0.28 -5.01 118.68 110.45 1rfn s LEU 112 Ca 0.61 1.77 -0.15 0.00 -1.03 0.00 0.00 54.13 55.34 1rfn s LEU 112 Cb -0.35 -4.54 -0.01 0.00 0.03 0.00 0.00 46.19 41.33 1rfn s LEU 112 CO 0.43 -0.74 0.33 -0.69 0.23 0.00 0.00 176.35 175.91 1rfn s VAL 113 N -2.27 5.21 0.21 -1.59 1.01 -1.26 -4.76 120.40 116.94 1rfn s VAL 113 Ca 0.63 -0.16 -0.30 0.00 0.00 0.00 0.00 61.98 62.16 1rfn s VAL 113 Cb -0.13 -3.83 -0.08 0.00 0.00 0.00 0.00 36.38 32.34 1rfn s VAL 113 CO 0.25 -0.13 1.17 -0.76 0.00 0.00 0.00 175.10 175.63 1rfn s LEU 114 N 1.90 4.47 0.00 3.92 1.43 -1.26 -4.77 118.68 124.38 1rfn s LEU 114 Ca 0.09 2.25 0.00 0.00 -1.03 0.00 0.00 54.13 55.44 1rfn s LEU 114 Cb -0.17 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.44 1rfn s LEU 114 CO 0.11 -0.32 0.00 -0.46 0.23 0.00 0.00 176.35 175.92 1rfn n ASN 115 N 2.16 0.00 0.08 2.29 0.23 -0.90 -4.96 115.26 114.15 1rfn n ASN 115 Ca 0.03 -0.97 0.07 0.00 -0.53 0.00 0.00 54.58 53.18 1rfn n ASN 115 Cb 0.45 0.00 0.35 0.00 -2.08 0.00 0.00 39.78 38.49 1rfn n ASN 115 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1rfn n SER 116 N -1.05 0.32 -0.00 0.53 7.64 -1.26 -2.03 113.62 117.77 1rfn n SER 116 Ca 0.00 0.63 0.06 0.00 1.01 0.00 0.00 58.87 60.57 1rfn n SER 116 Cb 0.00 -0.68 -0.09 0.00 -1.01 0.00 0.00 64.21 62.44 1rfn n SER 116 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1rfn n TYR 117 N -1.91 0.00 -3.77 1.43 4.01 -1.26 -4.74 117.16 110.92 1rfn n TYR 117 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.45 1rfn n TYR 117 Cb 0.08 -0.18 -0.13 0.00 -0.31 0.00 0.00 39.34 38.80 1rfn n TYR 117 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1rfn s VAL 118 N -2.60 1.84 -0.04 -0.72 1.01 -0.86 -3.78 120.40 115.24 1rfn s VAL 118 Ca -0.01 -3.03 0.03 0.00 0.00 0.00 0.00 61.98 58.97 1rfn s VAL 118 Cb 0.08 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 34.20 1rfn s VAL 118 CO 0.50 -0.92 -0.14 -0.89 0.00 0.00 0.00 175.10 173.65 1rfn s THR 119 N -0.13 1.18 0.80 3.92 2.01 -1.01 -2.13 115.64 120.29 1rfn s THR 119 Ca 0.20 -0.56 -0.11 0.00 0.31 0.00 0.00 61.69 61.53 1rfn s THR 119 Cb -0.19 -1.04 0.08 0.00 0.01 0.00 0.00 72.50 71.36 1rfn s THR 119 CO -0.04 0.35 1.10 -2.16 -0.69 0.00 0.00 174.62 173.18 1rfn s PRO 120 N 0.23 2.00 0.28 4.92 0.04 -1.26 -1.44 135.00 139.77 1rfn s PRO 120 Ca -0.06 1.16 -0.05 0.00 0.04 0.00 0.00 61.00 62.09 1rfn s PRO 120 Cb -0.12 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 1rfn s PRO 120 CO 0.02 -1.83 0.54 -1.50 0.04 0.00 0.00 177.00 174.28 1rfn s ILE 121 N -2.88 5.04 0.01 0.56 1.10 -0.32 -4.77 121.20 119.94 1rfn s ILE 121 Ca 0.62 0.02 -0.21 0.00 -0.51 0.00 0.00 60.65 60.58 1rfn s ILE 121 Cb -0.18 -3.74 -0.06 0.00 0.15 0.00 0.00 42.46 38.64 1rfn s ILE 121 CO 0.56 -0.32 0.60 0.00 -2.11 0.00 0.00 174.94 173.68 1rfn s ILE 123 N -0.36 2.83 0.51 0.00 1.09 -1.26 -0.47 121.20 123.54 1rfn s ILE 123 Ca 0.31 -0.68 0.08 0.00 -1.10 0.00 0.00 60.65 59.26 1rfn s ILE 123 Cb -0.19 -2.25 0.05 0.00 -1.06 0.00 0.00 42.46 39.01 1rfn s ILE 123 CO 0.18 0.47 0.70 0.00 -0.10 0.00 0.00 174.94 176.19 1rfn s ALA 124 N 1.34 4.52 0.88 9.38 0.00 -1.26 -5.04 121.76 131.58 1rfn s ALA 124 Ca 0.04 -1.85 -0.15 0.00 0.00 0.00 0.00 51.96 50.01 1rfn s ALA 124 Cb -0.14 -1.61 -0.03 0.00 0.00 0.00 0.00 23.12 21.34 1rfn s ALA 124 CO -0.07 -0.62 0.14 -3.47 0.00 0.00 0.00 175.76 171.74 1rfn n ASP 125 N -2.10 -2.84 0.04 0.00 2.03 -1.26 -4.57 116.55 107.85 1rfn n ASP 125 Ca 0.12 0.38 0.05 0.00 0.52 0.00 0.00 54.79 55.85 1rfn n ASP 125 Cb 0.60 -1.09 0.46 0.00 -0.72 0.00 0.00 41.12 40.37 1rfn n ASP 125 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1rfn h LYS 126 N -1.05 0.45 -0.03 -0.67 3.64 -1.97 -0.70 116.57 116.26 1rfn h LYS 126 Ca -0.44 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 58.73 1rfn h LYS 126 Cb 1.31 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 33.04 1rfn h LYS 126 CO 0.34 0.30 -0.71 1.49 -2.27 0.00 0.00 179.45 178.61 1rfn h GLU 127 N 0.47 0.53 -0.10 1.90 4.81 -1.89 -3.16 114.58 117.13 1rfn h GLU 127 Ca 0.13 -0.53 -0.24 0.00 -0.13 0.00 0.00 59.36 58.59 1rfn h GLU 127 Cb -0.05 0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.49 1rfn h GLU 127 CO -0.03 1.16 -0.86 1.88 -0.73 0.00 0.00 179.01 180.44 1rfn h TYR 128 N 0.10 1.07 -0.99 0.92 -1.99 -1.86 -2.85 116.97 111.37 1rfn h TYR 128 Ca -0.08 -0.51 0.22 0.00 2.00 0.00 0.00 58.73 60.37 1rfn h TYR 128 Cb 1.39 -0.15 -0.12 0.00 2.00 0.00 0.00 36.73 39.85 1rfn h TYR 128 CO 0.13 1.34 0.58 1.15 -0.00 0.00 0.00 178.16 181.36 1rfn h THR 129 N 0.49 0.59 0.00 -2.88 2.02 -1.23 0.35 112.91 112.25 1rfn h THR 129 Ca -0.08 -0.22 -0.13 0.00 0.77 0.00 0.00 66.41 66.76 1rfn h THR 129 Cb 1.50 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 1rfn h THR 129 CO 0.17 0.11 -0.60 -1.13 0.37 0.00 0.00 175.52 174.45 1rfn h ASN 129 N 0.63 0.00 -0.02 4.18 -1.24 -1.50 -2.57 115.58 115.06 1rfn h ASN 129 Ca 0.62 0.00 -0.22 0.00 0.71 0.00 0.00 56.30 57.41 1rfn h ASN 129 Cb 1.10 0.00 0.02 0.00 0.73 0.00 0.00 38.32 40.17 1rfn h ASN 129 CO -0.45 0.60 -0.84 0.40 -1.29 0.00 0.00 177.43 175.86 1rfn h ILE 129 N 0.00 1.33 0.00 2.57 2.04 -0.22 -2.93 117.51 120.30 1rfn h ILE 129 Ca -0.01 -2.14 -0.07 0.00 1.00 0.00 0.00 64.86 63.65 1rfn h ILE 129 Cb 1.23 2.40 -0.01 0.00 -0.74 0.00 0.00 36.82 39.71 1rfn h ILE 129 CO 0.08 0.65 -0.32 -0.26 0.00 0.00 0.00 178.15 178.30 1rfn h PHE 130 N 0.23 0.00 -0.29 1.37 0.04 -0.76 -2.02 116.94 115.51 1rfn h PHE 130 Ca -0.10 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.54 1rfn h PHE 130 Cb 1.51 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.65 1rfn h PHE 130 CO 0.12 0.32 -0.36 1.25 -0.60 0.00 0.00 178.31 179.04 1rfn h LEU 131 N 0.00 0.69 -0.39 1.54 6.46 -1.45 -2.65 115.31 119.50 1rfn h LEU 131 Ca -0.00 -0.29 0.00 0.00 -0.12 0.00 0.00 57.88 57.46 1rfn h LEU 131 Cb 0.62 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.36 1rfn h LEU 131 CO 0.04 0.99 0.00 0.29 -0.62 0.00 0.00 178.44 179.14 1rfn n LYS 132 N -4.05 0.10 0.00 1.25 5.02 -0.77 -2.81 118.16 116.89 1rfn n LYS 132 Ca -0.01 0.36 0.01 0.00 -2.02 0.00 0.00 58.31 56.65 1rfn n LYS 132 Cb 0.50 -1.69 0.04 0.00 -0.02 0.00 0.00 35.03 33.85 1rfn n LYS 132 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1rfn n PHE 133 N -1.88 0.00 0.00 2.13 3.01 -1.00 -4.87 117.46 114.85 1rfn n PHE 133 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 1rfn n PHE 133 Cb 0.18 -0.49 0.00 0.00 -0.01 0.00 0.00 39.48 39.17 1rfn n PHE 133 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1rfn n GLY 134 N -1.30 2.40 3.77 1.37 0.00 -1.12 -5.01 105.19 105.29 1rfn n GLY 134 Ca 0.00 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 1rfn n GLY 134 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rfn s SER 135 N 0.00 5.83 0.08 1.61 0.01 -1.26 0.12 113.70 120.08 1rfn s SER 135 Ca 0.00 0.28 0.01 0.00 1.31 0.00 0.00 55.95 57.56 1rfn s SER 135 Cb 0.00 -1.82 -0.04 0.00 0.21 0.00 0.00 66.02 64.37 1rfn s SER 135 CO 0.00 0.36 -0.06 -0.83 0.41 0.00 0.00 173.24 173.12 1rfn s GLY 136 N -0.76 0.64 -0.15 3.44 0.00 -0.94 -4.68 107.32 104.87 1rfn s GLY 136 Ca 0.13 -1.18 -0.04 0.00 0.00 0.00 0.00 44.72 43.62 1rfn s GLY 136 CO 0.03 -1.28 -0.02 -0.19 0.00 0.00 0.00 173.10 171.63 1rfn s TYR 137 N -3.16 3.06 -0.05 1.90 1.51 0.17 -0.54 117.35 120.23 1rfn s TYR 137 Ca 0.06 -0.22 0.05 0.00 -1.01 0.00 0.00 57.07 55.95 1rfn s TYR 137 Cb 0.02 -1.96 -0.01 0.00 -0.11 0.00 0.00 41.96 39.91 1rfn s TYR 137 CO -0.05 0.02 -0.22 0.08 -1.11 0.00 0.00 175.55 174.28 1rfn s VAL 138 N 0.27 1.83 0.01 0.71 1.01 0.06 -0.91 120.40 123.37 1rfn s VAL 138 Ca -0.02 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 60.95 1rfn s VAL 138 Cb -0.14 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.69 1rfn s VAL 138 CO 0.03 0.51 0.15 -0.94 0.00 0.00 0.00 175.10 174.84 1rfn s SER 139 N -0.06 0.03 0.00 3.32 1.04 -1.24 -0.33 113.70 116.46 1rfn s SER 139 Ca -0.05 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.16 1rfn s SER 139 Cb -0.13 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1rfn s SER 139 CO 0.03 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.47 1rfn n GLY 140 N 1.33 0.10 2.14 7.32 0.00 -0.74 -4.49 105.19 110.86 1rfn n GLY 140 Ca -0.22 -0.97 -0.27 0.00 0.00 0.00 0.00 46.02 44.56 1rfn n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1rfn n TRP 141 N -0.26 2.90 -1.80 1.61 8.01 -1.26 -2.43 117.44 124.22 1rfn n TRP 141 Ca 0.00 -2.40 -0.13 0.00 -1.31 0.00 0.00 57.50 53.66 1rfn n TRP 141 Cb 0.00 -1.08 0.09 0.00 -2.01 0.00 0.00 31.31 28.31 1rfn n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1rfn n GLY 142 N -1.01 -0.60 3.63 6.99 0.00 -1.26 -3.54 105.19 109.41 1rfn n GLY 142 Ca 0.57 -1.80 -0.46 0.00 0.00 0.00 0.00 46.02 44.33 1rfn n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rfn n ARG 143 N -2.22 1.70 0.00 1.61 1.74 -0.60 -2.95 116.66 115.93 1rfn n ARG 143 Ca 0.08 0.60 0.13 0.00 -0.77 0.00 0.00 57.85 57.89 1rfn n ARG 143 Cb 0.29 -2.20 0.28 0.00 -1.02 0.00 0.00 32.46 29.81 1rfn n ARG 143 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1rfn n VAL 144 N 1.72 0.00 -3.69 1.55 0.24 -0.57 -1.30 118.33 116.28 1rfn n VAL 144 Ca 0.13 -0.28 -0.13 0.00 -2.04 0.00 0.00 64.34 62.02 1rfn n VAL 144 Cb 0.29 0.87 -0.09 0.00 -1.47 0.00 0.00 33.84 33.44 1rfn n VAL 144 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1rfn s PHE 145 N -2.22 -0.61 -0.31 6.34 0.08 -1.26 -4.34 117.98 115.65 1rfn s PHE 145 Ca 0.28 1.43 -0.37 0.00 0.12 0.00 0.00 56.93 58.40 1rfn s PHE 145 Cb 0.20 0.24 -0.13 0.00 -0.57 0.00 0.00 43.02 42.76 1rfn s PHE 145 CO 0.42 -0.30 2.04 1.58 -0.10 0.00 0.00 175.22 178.86 1rfn n HIS 147 N 3.12 1.77 -1.70 0.36 -0.00 -1.26 0.56 115.22 118.07 1rfn n HIS 147 Ca -0.15 0.34 -0.07 0.00 -0.00 0.00 0.00 57.72 57.84 1rfn n HIS 147 Cb 0.56 -2.51 -0.02 0.00 -0.00 0.00 0.00 29.99 28.03 1rfn n HIS 147 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1rfn n LYS 148 N 7.29 -0.52 0.00 1.57 5.02 -1.26 -5.02 118.16 125.23 1rfn n LYS 148 Ca 0.36 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 57.18 1rfn n LYS 148 Cb 0.19 -4.37 0.00 0.00 -0.02 0.00 0.00 35.03 30.83 1rfn n LYS 148 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rfn n GLY 149 N -1.54 4.22 3.89 0.72 0.00 0.19 -5.13 105.19 107.55 1rfn n GLY 149 Ca -0.08 -1.93 -0.29 0.00 0.00 0.00 0.00 46.02 43.73 1rfn n GLY 149 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1rfn s ARG 150 N 2.51 3.07 0.78 1.61 1.70 -1.26 -4.82 118.95 122.54 1rfn s ARG 150 Ca 0.00 0.33 -0.05 0.00 -0.47 0.00 0.00 55.73 55.54 1rfn s ARG 150 Cb 0.00 -2.15 0.14 0.00 -0.57 0.00 0.00 34.95 32.38 1rfn s ARG 150 CO 0.00 -0.76 1.08 -1.12 -1.08 0.00 0.00 175.30 173.41 1rfn s SER 151 N -4.29 4.05 -0.11 -2.89 0.01 -1.26 -1.51 113.70 107.70 1rfn s SER 151 Ca 0.55 -0.19 -0.13 0.00 1.31 0.00 0.00 55.95 57.49 1rfn s SER 151 Cb -0.11 -0.11 -0.05 0.00 0.21 0.00 0.00 66.02 65.96 1rfn s SER 151 CO 0.49 -2.08 0.31 0.00 0.41 0.00 0.00 173.24 172.37 1rfn s ALA 152 N -3.33 3.66 0.10 1.44 0.00 -1.15 -4.73 121.76 117.75 1rfn s ALA 152 Ca 0.68 -0.41 -0.04 0.00 0.00 0.00 0.00 51.96 52.19 1rfn s ALA 152 Cb -0.05 -2.33 -0.19 0.00 0.00 0.00 0.00 23.12 20.55 1rfn s ALA 152 CO 0.46 0.28 1.22 -0.07 0.00 0.00 0.00 175.76 177.66 1rfn h LEU 153 N 5.87 0.45 -9.05 0.00 3.38 -1.94 -3.45 115.31 110.58 1rfn h LEU 153 Ca -0.46 -0.42 -0.69 0.00 0.09 0.00 0.00 57.88 56.40 1rfn h LEU 153 Cb 1.19 -0.14 -0.20 0.00 0.09 0.00 0.00 40.66 41.60 1rfn h LEU 153 CO 0.69 1.27 -0.72 -0.69 0.09 0.00 0.00 178.44 179.08 1rfn s VAL 154 N -2.94 3.48 0.12 1.22 1.01 -1.26 0.29 120.40 122.32 1rfn s VAL 154 Ca -0.05 -0.61 -0.35 0.00 0.00 0.00 0.00 61.98 60.97 1rfn s VAL 154 Cb 0.08 -2.42 -0.15 0.00 0.00 0.00 0.00 36.38 33.90 1rfn s VAL 154 CO 0.87 0.56 1.51 -0.11 0.00 0.00 0.00 175.10 177.94 1rfn n LEU 155 N 2.14 2.60 -4.77 3.92 7.94 -1.00 -4.88 117.00 122.96 1rfn n LEU 155 Ca -0.17 1.09 -0.26 0.00 -1.11 0.00 0.00 56.01 55.56 1rfn n LEU 155 Cb 0.53 -1.34 -0.06 0.00 0.53 0.00 0.00 43.42 43.08 1rfn n LEU 155 CO 0.27 -0.54 -0.24 -1.10 -1.11 0.00 0.00 177.39 174.67 1rfn s GLN 156 N 0.92 2.78 0.07 1.96 -1.52 -1.02 -1.28 119.66 121.57 1rfn s GLN 156 Ca 0.81 -0.97 -0.06 0.00 -1.95 0.00 0.00 55.36 53.19 1rfn s GLN 156 Cb -0.78 -2.55 -0.01 0.00 -0.22 0.00 0.00 33.01 29.44 1rfn s GLN 156 CO 0.42 0.46 0.12 1.52 -0.25 0.00 0.00 175.29 177.56 1rfn s TYR 157 N -1.82 0.24 -0.22 0.91 -0.85 -0.74 -1.79 117.35 113.08 1rfn s TYR 157 Ca 0.30 -0.66 -0.22 0.00 -0.52 0.00 0.00 57.07 55.97 1rfn s TYR 157 Cb -0.09 -0.15 0.06 0.00 0.38 0.00 0.00 41.96 42.16 1rfn s TYR 157 CO 0.22 -0.46 0.63 -1.17 -1.52 0.00 0.00 175.55 173.25 1rfn s LEU 158 N -2.69 -0.40 -0.17 -3.49 2.96 0.55 -1.92 118.68 113.51 1rfn s LEU 158 Ca 0.03 1.20 -0.15 0.00 -0.22 0.00 0.00 54.13 54.98 1rfn s LEU 158 Cb 0.04 2.17 -0.04 0.00 0.50 0.00 0.00 46.19 48.86 1rfn s LEU 158 CO -0.09 -0.26 0.37 -0.60 -1.32 0.00 0.00 176.35 174.45 1rfn s ARG 159 N 0.17 4.23 -0.11 1.98 3.52 -1.26 -0.76 118.95 126.72 1rfn s ARG 159 Ca -0.01 0.20 0.02 0.00 -0.13 0.00 0.00 55.73 55.80 1rfn s ARG 159 Cb -0.04 -3.48 0.01 0.00 -1.56 0.00 0.00 34.95 29.88 1rfn s ARG 159 CO 0.02 0.09 -0.16 0.14 -0.81 0.00 0.00 175.30 174.58 1rfn s VAL 160 N 0.91 1.54 0.37 7.11 -7.23 0.30 -4.94 120.40 118.46 1rfn s VAL 160 Ca 0.19 -0.67 -0.26 0.00 -1.81 0.00 0.00 61.98 59.43 1rfn s VAL 160 Cb -0.14 -1.40 -0.09 0.00 0.56 0.00 0.00 36.38 35.31 1rfn s VAL 160 CO 0.07 0.45 1.09 -2.16 -0.31 0.00 0.00 175.10 174.24 1rfn s PRO 161 N 0.94 4.25 0.31 4.82 0.04 -1.26 -2.21 135.00 141.88 1rfn s PRO 161 Ca -0.07 1.65 -0.29 0.00 0.04 0.00 0.00 61.00 62.33 1rfn s PRO 161 Cb -0.15 -2.72 -0.10 0.00 0.04 0.00 0.00 34.50 31.57 1rfn s PRO 161 CO -0.01 -0.10 1.21 -1.17 0.04 0.00 0.00 177.00 176.96 1rfn s LEU 162 N -2.33 4.49 -0.09 -3.56 2.96 0.12 -1.97 118.68 118.29 1rfn s LEU 162 Ca 0.55 2.49 -0.05 0.00 -0.22 0.00 0.00 54.13 56.89 1rfn s LEU 162 Cb -0.26 -3.64 -0.04 0.00 0.50 0.00 0.00 46.19 42.75 1rfn s LEU 162 CO 0.33 -0.35 0.12 -0.69 -1.32 0.00 0.00 176.35 174.44 1rfn s VAL 163 N -1.15 5.25 0.11 1.68 1.01 -0.63 -4.92 120.40 121.75 1rfn s VAL 163 Ca 0.47 0.04 -0.35 0.00 0.00 0.00 0.00 61.98 62.14 1rfn s VAL 163 Cb -0.36 -3.31 -0.17 0.00 0.00 0.00 0.00 36.38 32.54 1rfn s VAL 163 CO 0.47 0.56 1.08 -0.67 0.00 0.00 0.00 175.10 176.54 1rfn n ASP 164 N 1.80 0.64 -0.36 3.32 2.03 -1.26 -4.62 116.55 118.09 1rfn n ASP 164 Ca -0.18 1.14 0.02 0.00 0.52 0.00 0.00 54.79 56.30 1rfn n ASP 164 Cb 0.54 -1.09 0.17 0.00 -0.72 0.00 0.00 41.12 40.03 1rfn n ASP 164 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1rfn h ARG 165 N 3.14 1.13 -0.37 -0.67 2.43 -1.96 0.11 114.38 118.18 1rfn h ARG 165 Ca -0.44 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 58.61 1rfn h ARG 165 Cb 1.38 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 1rfn h ARG 165 CO 0.68 0.75 0.04 0.00 -1.51 0.00 0.00 179.97 179.92 1rfn h ALA 166 N 1.45 0.49 -0.05 2.80 0.00 -1.99 -2.30 119.26 119.66 1rfn h ALA 166 Ca 0.43 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1rfn h ALA 166 Cb 0.17 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1rfn h ALA 166 CO -0.17 0.22 0.03 1.15 0.00 0.00 0.00 179.25 180.47 1rfn h THR 167 N 0.46 1.09 -0.29 0.00 2.02 -1.78 -2.74 112.91 111.67 1rfn h THR 167 Ca 0.11 -0.26 0.07 0.00 0.77 0.00 0.00 66.41 67.10 1rfn h THR 167 Cb 0.40 1.17 -0.08 0.00 -1.74 0.00 0.00 68.15 67.91 1rfn h THR 167 CO 0.01 0.08 -0.23 0.00 0.37 0.00 0.00 175.52 175.74 1rfn h LEU 169 N -0.22 0.00 0.00 0.00 4.07 -1.37 -2.73 115.31 115.06 1rfn h LEU 169 Ca 0.15 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.11 1rfn h LEU 169 Cb 0.45 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.19 1rfn h LEU 169 CO -0.42 0.00 -0.98 -1.14 -1.08 0.00 0.00 178.44 174.83 1rfn n ARG 170 N -2.95 0.06 0.17 1.13 0.63 -0.50 -4.27 116.66 110.92 1rfn n ARG 170 Ca -0.01 -0.01 0.06 0.00 -0.92 0.00 0.00 57.85 56.97 1rfn n ARG 170 Cb 0.20 -1.51 0.12 0.00 0.45 0.00 0.00 32.46 31.72 1rfn n ARG 170 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1rfn h SER 171 N 0.00 0.00 -3.25 6.15 4.64 -0.94 -3.46 113.55 116.68 1rfn h SER 171 Ca 0.00 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.87 1rfn h SER 171 Cb 0.54 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.49 1rfn h SER 171 CO 0.00 0.35 -0.69 -0.89 -0.87 0.00 0.00 176.83 174.72 1rfn s THR 172 N -3.12 1.53 -2.17 2.95 2.01 -1.26 -4.83 115.64 110.75 1rfn s THR 172 Ca 0.04 -2.13 0.22 0.00 0.31 0.00 0.00 61.69 60.13 1rfn s THR 172 Cb 0.07 -2.27 0.46 0.00 0.01 0.00 0.00 72.50 70.78 1rfn s THR 172 CO 0.71 -0.43 1.41 0.29 -0.69 0.00 0.00 174.62 175.91 1rfn n LYS 173 N -0.47 2.52 -3.71 4.92 5.02 -1.26 -4.91 118.16 120.27 1rfn n LYS 173 Ca -0.06 -2.34 -0.26 0.00 -2.02 0.00 0.00 58.31 53.63 1rfn n LYS 173 Cb 0.62 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.11 1rfn n LYS 173 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1rfn s PHE 174 N -1.29 3.48 -0.25 2.13 0.08 -1.26 -5.06 117.98 115.81 1rfn s PHE 174 Ca 0.39 0.28 -0.28 0.00 0.12 0.00 0.00 56.93 57.45 1rfn s PHE 174 Cb 0.22 -1.81 0.01 0.00 -0.57 0.00 0.00 43.02 40.87 1rfn s PHE 174 CO 0.30 0.37 0.98 0.99 -0.10 0.00 0.00 175.22 177.76 1rfn s THR 175 N -1.93 4.70 -0.44 0.64 2.01 -1.26 -5.01 115.64 114.35 1rfn s THR 175 Ca 0.38 1.83 -0.18 0.00 0.31 0.00 0.00 61.69 64.03 1rfn s THR 175 Cb -0.11 -4.27 0.03 0.00 0.01 0.00 0.00 72.50 68.16 1rfn s THR 175 CO 0.30 -0.20 0.49 -0.63 -0.69 0.00 0.00 174.62 173.88 1rfn s ILE 176 N 3.17 5.04 0.58 1.82 1.01 -1.26 -5.06 121.20 126.50 1rfn s ILE 176 Ca 0.41 -0.39 -0.09 0.00 0.00 0.00 0.00 60.65 60.58 1rfn s ILE 176 Cb -0.15 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 1rfn s ILE 176 CO 0.08 -0.52 0.96 -0.31 0.00 0.00 0.00 174.94 175.15 1rfn s TYR 177 N 2.25 3.59 -2.00 3.97 1.51 -1.26 -4.92 117.35 120.49 1rfn s TYR 177 Ca 0.13 1.13 0.09 0.00 -1.01 0.00 0.00 57.07 57.41 1rfn s TYR 177 Cb -0.18 -2.62 0.54 0.00 -0.11 0.00 0.00 41.96 39.59 1rfn s TYR 177 CO 0.13 -0.60 0.96 0.09 -1.11 0.00 0.00 175.55 175.02 1rfn n ASN 178 N -2.62 0.00 0.04 2.29 3.02 -1.26 -1.09 115.26 115.64 1rfn n ASN 178 Ca 0.04 -0.46 0.12 0.00 -0.03 0.00 0.00 54.58 54.26 1rfn n ASN 178 Cb 0.55 0.00 0.23 0.00 -0.61 0.00 0.00 39.78 39.94 1rfn n ASN 178 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1rfn n ASN 179 N -0.88 0.60 -4.50 6.41 5.03 -1.26 -4.89 115.26 115.78 1rfn n ASN 179 Ca 0.07 0.05 -0.24 0.00 0.87 0.00 0.00 54.58 55.33 1rfn n ASN 179 Cb 0.03 0.12 -0.11 0.00 -1.02 0.00 0.00 39.78 38.81 1rfn n ASN 179 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1rfn s MET 180 N -3.11 1.71 0.13 3.52 0.23 -0.25 0.26 119.30 121.79 1rfn s MET 180 Ca 0.08 -1.92 -0.12 0.00 -1.03 0.00 0.00 55.69 52.70 1rfn s MET 180 Cb 0.15 -1.27 0.01 0.00 -1.53 0.00 0.00 34.83 32.19 1rfn s MET 180 CO 0.70 -0.03 0.31 -0.59 -2.03 0.00 0.00 175.02 173.38 1rfn s PHE 181 N -2.96 0.07 0.04 3.16 -0.12 0.84 -4.76 117.98 114.25 1rfn s PHE 181 Ca 0.33 -0.44 -0.00 0.00 -0.05 0.00 0.00 56.93 56.77 1rfn s PHE 181 Cb 0.06 0.08 -0.04 0.00 -0.63 0.00 0.00 43.02 42.50 1rfn s PHE 181 CO 0.15 -0.66 0.17 0.00 -0.05 0.00 0.00 175.22 174.82 1rfn s ALA 183 N -1.41 -1.33 0.00 0.00 0.00 -1.13 -1.60 121.76 116.28 1rfn s ALA 183 Ca 0.31 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.07 1rfn s ALA 183 Cb -0.13 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.13 1rfn s ALA 183 CO 0.23 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.03 1rfn n GLY 184 N 0.87 0.89 3.40 0.00 0.00 -0.83 -2.70 105.19 106.81 1rfn n GLY 184 Ca -0.20 -1.96 -0.26 0.00 0.00 0.00 0.00 46.02 43.60 1rfn n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rfn s PHE 184 N -2.37 2.20 0.16 1.61 0.40 -1.26 -4.19 117.98 114.53 1rfn s PHE 184 Ca 0.00 -0.38 -0.03 0.00 -0.60 0.00 0.00 56.93 55.92 1rfn s PHE 184 Cb 0.00 -1.11 0.02 0.00 0.51 0.00 0.00 43.02 42.44 1rfn s PHE 184 CO 0.00 0.44 1.41 0.45 0.70 0.00 0.00 175.22 178.21 1rfn h HIS 185 N 3.35 0.59 -0.39 0.36 3.86 -1.97 -3.23 115.15 117.73 1rfn h HIS 185 Ca -0.46 -0.27 -0.06 0.00 -1.16 0.00 0.00 60.37 58.42 1rfn h HIS 185 Cb 1.20 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.57 1rfn h HIS 185 CO 0.67 1.04 0.01 0.93 0.86 0.00 0.00 177.93 181.45 1rfn h GLU 186 N 0.29 0.67 0.00 2.45 3.07 -1.96 -3.09 114.58 116.01 1rfn h GLU 186 Ca -0.04 -0.21 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 1rfn h GLU 186 Cb 1.35 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 1rfn h GLU 186 CO 0.13 0.76 0.00 0.41 -1.40 0.00 0.00 179.01 178.91 1rfn n GLY 187 N -0.39 -1.91 4.08 -3.84 0.00 -1.22 -4.12 105.19 97.80 1rfn n GLY 187 Ca -0.01 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1rfn n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rfn n GLY 188 N 0.00 2.14 2.93 -0.02 0.00 0.21 -4.88 105.19 105.57 1rfn n GLY 188 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1rfn n GLY 188 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rfn s ARG 188 N 0.00 1.66 0.35 1.61 0.52 -1.26 -3.26 118.95 118.57 1rfn s ARG 188 Ca 0.00 -0.69 -0.18 0.00 -0.52 0.00 0.00 55.73 54.34 1rfn s ARG 188 Cb 0.00 -2.24 0.04 0.00 0.52 0.00 0.00 34.95 33.28 1rfn s ARG 188 CO 0.00 -0.46 0.77 0.34 0.02 0.00 0.00 175.30 175.98 1rfn s ASP 189 N 1.52 -0.08 0.43 0.23 2.15 -0.78 -4.24 116.67 115.89 1rfn s ASP 189 Ca -0.01 -0.97 0.00 0.00 0.43 0.00 0.00 52.55 52.01 1rfn s ASP 189 Cb -0.16 0.81 -0.01 0.00 -0.30 0.00 0.00 42.92 43.25 1rfn s ASP 189 CO -0.08 -1.57 0.65 -0.94 -0.17 0.00 0.00 175.17 173.06 1rfn s SER 190 N -3.03 5.95 0.13 -0.34 1.04 -1.26 0.15 113.70 116.34 1rfn s SER 190 Ca 0.14 0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.92 1rfn s SER 190 Cb -0.05 -1.66 -0.00 0.00 0.10 0.00 0.00 66.02 64.41 1rfn s SER 190 CO 0.10 -0.61 0.16 0.00 0.98 0.00 0.00 173.24 173.87 1rfn s GLN 192 N -2.39 4.25 0.00 0.00 0.00 -1.26 -2.26 119.66 117.99 1rfn s GLN 192 Ca 0.13 2.36 0.00 0.00 -0.00 0.00 0.00 55.36 57.85 1rfn s GLN 192 Cb 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 33.01 29.94 1rfn s GLN 192 CO 0.09 -0.41 0.00 0.41 0.00 0.00 0.00 175.29 175.38 1rfn n GLY 193 N 1.58 1.28 0.10 2.60 0.00 -1.26 -1.55 105.19 107.95 1rfn n GLY 193 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 1rfn n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rfn n ASP 194 N 0.00 0.49 -4.59 1.61 8.00 -0.96 -3.76 116.55 117.33 1rfn n ASP 194 Ca 0.00 0.08 -0.43 0.00 0.71 0.00 0.00 54.79 55.15 1rfn n ASP 194 Cb 0.00 0.55 -0.00 0.00 -0.02 0.00 0.00 41.12 41.65 1rfn n ASP 194 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1rfn n SER 195 N -2.90 1.21 0.00 -2.24 3.41 -1.26 -1.45 113.62 110.40 1rfn n SER 195 Ca -0.31 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.40 1rfn n SER 195 Cb 1.11 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1rfn n SER 195 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rfn n GLY 196 N 1.22 2.92 3.87 5.00 0.00 0.44 -1.49 105.19 117.14 1rfn n GLY 196 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1rfn n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rfn s GLY 197 N -2.73 1.64 0.49 -0.02 0.00 -0.53 -3.01 107.32 103.16 1rfn s GLY 197 Ca 0.00 -0.26 -0.20 0.00 0.00 0.00 0.00 44.72 44.26 1rfn s GLY 197 CO 0.00 0.09 1.03 2.56 0.00 0.00 0.00 173.10 176.78 1rfn s PRO 198 N -5.29 3.82 -0.35 2.90 0.04 -1.26 -1.14 135.00 133.71 1rfn s PRO 198 Ca 0.58 1.29 0.01 0.00 0.04 0.00 0.00 61.00 62.92 1rfn s PRO 198 Cb -0.12 -2.10 0.11 0.00 0.04 0.00 0.00 34.50 32.43 1rfn s PRO 198 CO 0.53 -0.41 0.12 -1.58 0.04 0.00 0.00 177.00 175.70 1rfn s HIS 199 N -2.09 2.28 0.21 0.56 2.46 -0.69 -3.63 115.29 114.40 1rfn s HIS 199 Ca 0.66 -2.21 0.06 0.00 0.47 0.00 0.00 55.06 54.05 1rfn s HIS 199 Cb -0.15 -2.06 -0.04 0.00 -0.13 0.00 0.00 32.58 30.20 1rfn s HIS 199 CO 0.21 -0.87 0.14 0.14 -2.47 0.00 0.00 174.74 171.89 1rfn s VAL 200 N 1.15 4.33 -0.06 0.89 -7.23 -0.09 -0.77 120.40 118.62 1rfn s VAL 200 Ca 0.12 -1.31 0.05 0.00 -1.81 0.00 0.00 61.98 59.03 1rfn s VAL 200 Cb -0.19 -3.27 -0.01 0.00 0.56 0.00 0.00 36.38 33.47 1rfn s VAL 200 CO -0.16 -0.23 -0.22 -0.89 -0.31 0.00 0.00 175.10 173.29 1rfn s THR 201 N -1.95 1.86 -0.18 5.32 2.01 -0.59 0.42 115.64 122.54 1rfn s THR 201 Ca 0.31 -0.95 -0.15 0.00 0.31 0.00 0.00 61.69 61.21 1rfn s THR 201 Cb -0.09 -1.58 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 1rfn s THR 201 CO 0.23 0.52 0.37 -0.70 -0.69 0.00 0.00 174.62 174.35 1rfn s GLU 202 N -0.02 4.22 -0.49 4.92 2.12 -1.26 -1.39 118.70 126.79 1rfn s GLU 202 Ca -0.06 0.19 0.04 0.00 0.36 0.00 0.00 54.97 55.50 1rfn s GLU 202 Cb -0.14 -3.49 0.13 0.00 0.26 0.00 0.00 34.13 30.89 1rfn s GLU 202 CO 0.04 0.08 0.24 0.08 -0.54 0.00 0.00 175.26 175.16 1rfn s VAL 203 N 0.94 2.40 -1.07 3.70 1.01 0.28 -4.81 120.40 122.84 1rfn s VAL 203 Ca 0.19 -3.13 -0.09 0.00 0.00 0.00 0.00 61.98 58.95 1rfn s VAL 203 Cb -0.14 -2.68 -0.06 0.00 0.00 0.00 0.00 36.38 33.51 1rfn s VAL 203 CO 0.07 -0.79 0.90 -0.62 0.00 0.00 0.00 175.10 174.65 1rfn n GLU 204 N 3.27 -2.22 -0.89 2.72 1.02 -1.26 -2.77 120.64 120.51 1rfn n GLU 204 Ca 0.05 0.79 0.00 0.00 -0.02 0.00 0.00 57.16 57.98 1rfn n GLU 204 Cb 0.33 -5.51 0.00 0.00 -0.02 0.00 0.00 31.44 26.24 1rfn n GLU 204 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rfn n GLY 205 N -1.32 0.49 2.98 0.62 0.00 -1.26 -4.99 105.19 101.71 1rfn n GLY 205 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 1rfn n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rfn s THR 206 N -2.33 1.43 0.08 2.61 2.01 -1.12 -5.12 115.64 113.20 1rfn s THR 206 Ca 0.00 -0.61 -0.21 0.00 0.31 0.00 0.00 61.69 61.19 1rfn s THR 206 Cb 0.00 -1.40 -0.07 0.00 0.01 0.00 0.00 72.50 71.04 1rfn s THR 206 CO 0.00 0.38 0.61 -0.44 -0.69 0.00 0.00 174.62 174.48 1rfn s SER 207 N 1.53 7.12 0.03 3.53 0.01 -1.26 -0.56 113.70 124.10 1rfn s SER 207 Ca 0.04 1.33 0.07 0.00 1.31 0.00 0.00 55.95 58.70 1rfn s SER 207 Cb -0.13 -2.39 -0.02 0.00 0.21 0.00 0.00 66.02 63.69 1rfn s SER 207 CO -0.10 0.24 -0.21 -0.36 0.41 0.00 0.00 173.24 173.23 1rfn s PHE 208 N -1.02 1.86 -0.07 2.43 0.40 -0.49 -2.82 117.98 118.26 1rfn s PHE 208 Ca 0.31 -0.37 -0.30 0.00 -0.60 0.00 0.00 56.93 55.97 1rfn s PHE 208 Cb -0.20 -1.14 -0.03 0.00 0.51 0.00 0.00 43.02 42.16 1rfn s PHE 208 CO 0.20 0.06 1.31 -1.17 0.70 0.00 0.00 175.22 176.32 1rfn s LEU 209 N -0.97 4.26 0.00 -0.37 2.96 0.38 -1.54 118.68 123.41 1rfn s LEU 209 Ca 0.08 1.89 0.02 0.00 -0.22 0.00 0.00 54.13 55.90 1rfn s LEU 209 Cb -0.09 -3.55 -0.00 0.00 0.50 0.00 0.00 46.19 43.05 1rfn s LEU 209 CO 0.01 -0.70 0.33 0.35 -1.32 0.00 0.00 176.35 175.02 1rfn n THR 210 N 4.93 0.00 -3.69 3.68 -2.24 0.05 -4.74 114.28 112.26 1rfn n THR 210 Ca 0.13 -0.48 -0.01 0.00 -2.27 0.00 0.00 64.05 61.41 1rfn n THR 210 Cb 0.45 1.02 -0.01 0.00 -2.10 0.00 0.00 70.33 69.69 1rfn n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1rfn s GLY 211 N -0.64 -0.31 -0.10 3.38 0.00 -0.36 -3.82 107.32 105.48 1rfn s GLY 211 Ca 0.02 0.40 0.00 0.00 0.00 0.00 0.00 44.72 45.14 1rfn s GLY 211 CO 0.05 0.07 -0.09 -0.42 0.00 0.00 0.00 173.10 172.71 1rfn s ILE 212 N -2.91 1.02 -0.13 0.90 1.01 -1.08 -1.70 121.20 118.31 1rfn s ILE 212 Ca 0.13 -0.32 -0.32 0.00 0.00 0.00 0.00 60.65 60.13 1rfn s ILE 212 Cb 0.01 -1.01 -0.10 0.00 0.01 0.00 0.00 42.46 41.38 1rfn s ILE 212 CO -0.01 0.35 2.02 -0.38 0.00 0.00 0.00 174.94 176.93 1rfn n ILE 213 N 4.58 0.52 0.00 2.92 5.41 -0.30 -1.21 119.36 131.28 1rfn n ILE 213 Ca -0.16 -0.21 0.00 0.00 1.00 0.00 0.00 62.75 63.38 1rfn n ILE 213 Cb 0.51 -2.09 0.00 0.00 -0.71 0.00 0.00 39.64 37.35 1rfn n ILE 213 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1rfn n SER 214 N 8.40 0.00 -0.59 4.38 2.88 -0.96 -0.42 113.62 127.31 1rfn n SER 214 Ca 0.26 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1rfn n SER 214 Cb 0.34 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 1rfn n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1rfn n TRP 215 N -0.76 0.00 -2.15 0.66 4.27 -1.05 -4.66 117.44 113.75 1rfn n TRP 215 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 1rfn n TRP 215 Cb 0.00 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 29.95 1rfn n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1rfn n GLY 216 N 0.42 -1.39 2.88 -1.67 0.00 -1.26 -1.63 105.19 102.54 1rfn n GLY 216 Ca 0.00 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 1rfn n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rfn s GLU 217 N -1.06 1.17 1.34 1.61 2.02 -1.26 -5.04 118.70 117.48 1rfn s GLU 217 Ca 0.00 -1.38 0.00 0.00 0.02 0.00 0.00 54.97 53.61 1rfn s GLU 217 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 34.13 31.65 1rfn s GLU 217 CO 0.00 -0.90 0.00 0.39 0.02 0.00 0.00 175.26 174.77 1rfn n GLU 219 N 4.58 -0.21 -4.06 1.61 1.02 -1.26 -4.79 120.64 117.52 1rfn n GLU 219 Ca -0.01 0.14 -0.18 0.00 -0.02 0.00 0.00 57.16 57.09 1rfn n GLU 219 Cb 0.42 -0.25 -0.16 0.00 -0.02 0.00 0.00 31.44 31.43 1rfn n GLU 219 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rfn n ALA 221 N 3.79 -0.17 -2.61 0.00 0.00 -1.26 -4.56 120.51 115.70 1rfn n ALA 221 Ca -0.23 0.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 1rfn n ALA 221 Cb 0.52 -1.80 -0.03 0.00 0.00 0.00 0.00 19.45 18.15 1rfn n ALA 221 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1rfn s MET 221 N -2.93 4.50 0.14 0.00 0.00 -1.26 0.64 119.30 120.39 1rfn s MET 221 Ca 0.00 1.54 -0.34 0.00 0.00 0.00 0.00 55.69 56.89 1rfn s MET 221 Cb 0.00 -3.43 -0.14 0.00 0.00 0.00 0.00 34.83 31.26 1rfn s MET 221 CO 0.00 -0.15 1.58 1.17 0.00 0.00 0.00 175.02 177.62 1rfn n LYS 222 N 4.03 2.06 0.00 4.11 4.81 -1.26 -2.28 118.16 129.62 1rfn n LYS 222 Ca 0.07 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.26 1rfn n LYS 222 Cb 0.49 -2.51 0.00 0.00 0.02 0.00 0.00 35.03 33.04 1rfn n LYS 222 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1rfn n GLY 223 N 3.40 2.89 3.57 3.14 0.00 -1.17 -5.00 105.19 112.02 1rfn n GLY 223 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1rfn n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rfn s LYS 224 N -0.36 2.13 0.21 1.61 1.02 -0.97 -4.78 119.74 118.60 1rfn s LYS 224 Ca 0.00 -1.01 0.00 0.00 0.02 0.00 0.00 55.97 54.98 1rfn s LYS 224 Cb 0.00 -2.30 -0.00 0.00 -0.52 0.00 0.00 37.83 35.01 1rfn s LYS 224 CO 0.00 0.51 0.00 0.66 -0.92 0.00 0.00 175.35 175.61 1rfn n TYR 225 N 0.81 0.46 -4.21 3.18 4.01 -1.26 -4.63 117.16 115.52 1rfn n TYR 225 Ca -0.14 -1.04 -0.34 0.00 -0.16 0.00 0.00 57.90 56.22 1rfn n TYR 225 Cb 0.52 -0.13 -0.11 0.00 -0.31 0.00 0.00 39.34 39.32 1rfn n TYR 225 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1rfn s GLY 226 N -2.15 1.82 -0.10 2.72 0.00 -1.10 -4.35 107.32 104.17 1rfn s GLY 226 Ca 0.01 -0.78 -0.20 0.00 0.00 0.00 0.00 44.72 43.74 1rfn s GLY 226 CO 0.00 -0.06 0.57 -0.42 0.00 0.00 0.00 173.10 173.19 1rfn s ILE 227 N 0.24 5.13 0.09 0.90 1.09 -0.65 -2.84 121.20 125.16 1rfn s ILE 227 Ca 0.01 1.16 0.09 0.00 -1.10 0.00 0.00 60.65 60.80 1rfn s ILE 227 Cb -0.13 -3.91 -0.03 0.00 -1.06 0.00 0.00 42.46 37.33 1rfn s ILE 227 CO 0.02 0.29 -0.24 -0.31 -0.10 0.00 0.00 174.94 174.60 1rfn s TYR 228 N 0.72 2.05 -0.04 3.97 1.51 0.05 -2.27 117.35 123.34 1rfn s TYR 228 Ca 0.31 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.67 1rfn s TYR 228 Cb -0.16 -1.16 -0.03 0.00 -0.11 0.00 0.00 41.96 40.50 1rfn s TYR 228 CO 0.13 0.21 1.07 0.99 -1.11 0.00 0.00 175.55 176.85 1rfn s THR 229 N -1.00 4.58 -0.96 -0.71 2.01 -0.35 -0.11 115.64 119.10 1rfn s THR 229 Ca 0.10 1.86 -0.24 0.00 0.31 0.00 0.00 61.69 63.72 1rfn s THR 229 Cb -0.10 -4.19 -0.01 0.00 0.01 0.00 0.00 72.50 68.21 1rfn s THR 229 CO 0.04 0.06 1.74 -0.75 -0.69 0.00 0.00 174.62 175.03 1rfn s LYS 230 N 1.63 2.99 0.62 4.92 2.20 0.14 -2.63 119.74 129.61 1rfn s LYS 230 Ca 0.53 -0.66 0.29 0.00 -0.36 0.00 0.00 55.97 55.77 1rfn s LYS 230 Cb -0.22 -5.19 1.53 0.00 -1.51 0.00 0.00 37.83 32.43 1rfn s LYS 230 CO 0.23 -2.90 1.90 0.28 -0.36 0.00 0.00 175.35 174.51 1rfn h VAL 231 N 7.04 0.22 0.00 4.02 2.07 -1.85 -2.35 116.25 125.40 1rfn h VAL 231 Ca 0.14 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 1rfn h VAL 231 Cb 1.00 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1rfn h VAL 231 CO 1.30 0.00 -0.05 0.77 0.02 0.00 0.00 177.57 179.61 1rfn h SER 232 N 0.00 0.00 -0.02 0.57 4.64 -1.88 0.67 113.55 117.52 1rfn h SER 232 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1rfn h SER 232 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1rfn h SER 232 CO -0.00 0.05 0.00 0.54 -0.87 0.00 0.00 176.83 176.55 1rfn n ARG 233 N -4.43 1.12 0.00 4.77 1.74 -0.88 -3.72 116.66 115.26 1rfn n ARG 233 Ca -0.03 -0.17 0.00 0.00 -0.77 0.00 0.00 57.85 56.88 1rfn n ARG 233 Cb 0.13 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 1rfn n ARG 233 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1rfn n TYR 234 N -0.64 0.00 -0.31 -1.55 4.01 0.12 -4.87 117.16 113.91 1rfn n TYR 234 Ca 0.15 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.97 1rfn n TYR 234 Cb 0.11 0.00 0.18 0.00 -0.31 0.00 0.00 39.34 39.32 1rfn n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1rfn h VAL 235 N 0.31 0.13 -0.38 -0.72 2.07 -1.33 -1.97 116.25 114.36 1rfn h VAL 235 Ca 0.00 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1rfn h VAL 235 Cb 0.16 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 1rfn h VAL 235 CO 0.00 0.01 0.14 0.78 0.02 0.00 0.00 177.57 178.51 1rfn h ASN 236 N 0.03 0.54 -0.93 0.57 4.21 -1.89 -0.90 115.58 117.20 1rfn h ASN 236 Ca 0.48 -0.19 0.01 0.00 1.21 0.00 0.00 56.30 57.81 1rfn h ASN 236 Cb 0.84 -0.14 -0.05 0.00 -1.12 0.00 0.00 38.32 37.86 1rfn h ASN 236 CO -0.86 0.58 0.61 -0.25 -1.29 0.00 0.00 177.43 176.22 1rfn h TRP 237 N 0.47 1.17 0.57 1.19 7.01 -1.74 -0.42 115.95 124.20 1rfn h TRP 237 Ca 0.13 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.12 1rfn h TRP 237 Cb 0.22 -0.40 0.01 0.00 -2.10 0.00 0.00 29.16 26.89 1rfn h TRP 237 CO 0.00 0.74 -0.27 0.82 -2.79 0.00 0.00 178.44 176.94 1rfn h ILE 238 N 1.26 0.00 -1.24 2.65 2.04 -1.20 -2.48 117.51 118.55 1rfn h ILE 238 Ca 0.34 -0.13 0.36 0.00 1.00 0.00 0.00 64.86 66.42 1rfn h ILE 238 Cb -0.14 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 35.86 1rfn h ILE 238 CO -0.07 0.00 0.85 0.50 0.00 0.00 0.00 178.15 179.43 1rfn h LYS 239 N -0.90 0.13 0.27 2.37 1.63 -1.05 -1.69 116.57 117.33 1rfn h LYS 239 Ca -0.08 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.70 1rfn h LYS 239 Cb 0.59 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.19 1rfn h LYS 239 CO 0.13 0.09 -0.13 1.49 -3.45 0.00 0.00 179.45 177.58 1rfn h GLU 240 N 0.14 -0.34 -0.00 1.90 4.81 -0.99 -3.08 114.58 117.02 1rfn h GLU 240 Ca 0.65 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.91 1rfn h GLU 240 Cb 2.22 0.08 0.00 0.00 0.63 0.00 0.00 28.75 31.68 1rfn h GLU 240 CO -0.17 -0.07 -0.01 1.63 -0.73 0.00 0.00 179.01 179.67 1rfn n LYS 241 N -5.01 0.23 -0.00 1.92 5.02 -0.94 -3.44 118.16 115.93 1rfn n LYS 241 Ca -0.07 -0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.30 1rfn n LYS 241 Cb 0.22 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.61 1rfn n LYS 241 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1rfn n THR 242 N -1.38 0.00 -1.62 -0.18 -2.24 -0.68 -4.98 114.28 103.20 1rfn n THR 242 Ca 0.11 -0.27 -0.48 0.00 -2.27 0.00 0.00 64.05 61.13 1rfn n THR 242 Cb 0.29 0.48 -0.04 0.00 -2.10 0.00 0.00 70.33 68.96 1rfn n THR 242 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1rfn n LYS 243 N -1.80 1.56 -3.22 -0.78 0.00 -1.16 -4.91 118.16 107.84 1rfn n LYS 243 Ca -0.01 0.56 -0.35 0.00 0.00 0.00 0.00 58.31 58.51 1rfn n LYS 243 Cb 0.37 -2.18 -0.06 0.00 0.00 0.00 0.00 35.03 33.16 1rfn n LYS 243 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1rfn s LEU 244 N 0.52 4.32 0.00 3.14 1.43 -1.26 -5.07 118.68 121.76 1rfn s LEU 244 Ca 0.76 1.25 0.00 0.00 -1.03 0.00 0.00 54.13 55.11 1rfn s LEU 244 Cb -0.79 -3.47 0.00 0.00 0.03 0.00 0.00 46.19 41.95 1rfn s LEU 244 CO 0.48 0.05 0.04 0.41 0.23 0.00 0.00 176.35 177.55