#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mfn s LEU 2 N 0.00 -0.66 0.45 0.99 0.05 -1.26 -5.05 118.68 113.20 1mfn s LEU 2 Ca 0.00 1.08 -0.22 0.00 0.05 0.00 0.00 54.13 55.04 1mfn s LEU 2 Cb 0.00 2.37 -0.09 0.00 -2.05 0.00 0.00 46.19 46.42 1mfn s LEU 2 CO 0.00 -0.35 1.05 -1.81 -0.55 0.00 0.00 176.35 174.69 1mfn s ASP 3 N -0.22 6.52 0.53 1.48 1.01 -1.26 -4.47 116.67 120.27 1mfn s ASP 3 Ca -0.03 1.99 -0.07 0.00 0.71 0.00 0.00 52.55 55.14 1mfn s ASP 3 Cb -0.03 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 1mfn s ASP 3 CO 0.03 -0.66 0.88 -0.94 0.21 0.00 0.00 175.17 174.69 1mfn s SER 4 N -1.78 6.25 -0.81 0.27 1.04 -1.26 -4.57 113.70 112.85 1mfn s SER 4 Ca 0.63 1.12 -0.26 0.00 0.48 0.00 0.00 55.95 57.92 1mfn s SER 4 Cb -0.19 -2.33 0.03 0.00 0.10 0.00 0.00 66.02 63.62 1mfn s SER 4 CO 0.24 -0.69 1.43 -2.16 0.98 0.00 0.00 173.24 173.04 1mfn s PRO 5 N -4.90 3.20 0.00 4.02 0.04 -1.26 -4.60 135.00 131.50 1mfn s PRO 5 Ca 0.50 -0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.16 1mfn s PRO 5 Cb -0.11 -4.57 0.00 0.00 0.04 0.00 0.00 34.50 29.87 1mfn s PRO 5 CO 0.48 -2.30 0.00 0.25 0.04 0.00 0.00 177.00 175.47 1mfn n THR 6 N 6.69 0.00 -1.97 1.26 -2.24 -1.23 -4.40 114.28 112.41 1mfn n THR 6 Ca 0.15 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.87 1mfn n THR 6 Cb 0.50 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.72 1mfn n THR 6 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mfn n GLY 7 N 5.00 -0.09 3.53 3.38 0.00 -1.26 -0.47 105.19 115.28 1mfn n GLY 7 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 1mfn n GLY 7 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1mfn n PHE 8 N -2.32 1.66 -3.70 1.61 -0.00 -1.26 -3.29 117.46 110.16 1mfn n PHE 8 Ca -0.06 0.09 -0.30 0.00 -0.00 0.00 0.00 57.45 57.18 1mfn n PHE 8 Cb 0.41 -2.62 -0.15 0.00 -0.00 0.00 0.00 39.48 37.12 1mfn n PHE 8 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1mfn s ASP 9 N 8.69 3.92 -0.08 -2.13 -1.08 0.10 -4.94 116.67 121.16 1mfn s ASP 9 Ca 1.05 -1.56 -0.25 0.00 -0.52 0.00 0.00 52.55 51.27 1mfn s ASP 9 Cb -0.55 -0.76 -0.03 0.00 -1.46 0.00 0.00 42.92 40.12 1mfn s ASP 9 CO 0.39 -0.42 0.79 -0.44 0.52 0.00 0.00 175.17 176.02 1mfn s SER 10 N 1.71 7.06 0.00 -0.34 0.01 -1.26 -0.25 113.70 120.63 1mfn s SER 10 Ca 0.09 1.28 0.00 0.00 1.31 0.00 0.00 55.95 58.64 1mfn s SER 10 Cb -0.17 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.60 1mfn s SER 10 CO -0.27 -0.22 0.00 -1.54 0.41 0.00 0.00 173.24 171.62 1mfn n SER 11 N 4.20 0.00 -3.86 2.44 3.41 -0.58 -4.94 113.62 114.30 1mfn n SER 11 Ca 0.02 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.32 1mfn n SER 11 Cb 0.51 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.44 1mfn n SER 11 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1mfn n ASP 12 N 0.00 -3.37 -4.92 4.04 9.92 -1.26 -1.83 116.55 119.13 1mfn n ASP 12 Ca 0.00 -0.73 -0.26 0.00 -0.53 0.00 0.00 54.79 53.26 1mfn n ASP 12 Cb 0.00 -2.78 0.02 0.00 -0.64 0.00 0.00 41.12 37.72 1mfn n ASP 12 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1mfn s ILE 13 N -3.10 3.92 0.11 0.53 1.01 -1.26 -0.80 121.20 121.61 1mfn s ILE 13 Ca 0.60 -0.00 -0.03 0.00 0.00 0.00 0.00 60.65 61.22 1mfn s ILE 13 Cb -0.32 -3.53 0.01 0.00 0.01 0.00 0.00 42.46 38.62 1mfn s ILE 13 CO 0.74 -0.53 0.19 0.35 0.00 0.00 0.00 174.94 175.69 1mfn n THR 14 N -2.48 0.00 0.05 2.92 -2.24 0.55 -4.84 114.28 108.24 1mfn n THR 14 Ca 0.04 -0.38 -0.21 0.00 -2.27 0.00 0.00 64.05 61.23 1mfn n THR 14 Cb 0.57 0.30 -0.15 0.00 -2.10 0.00 0.00 70.33 68.95 1mfn n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mfn h ALA 15 N 1.84 -0.05 -0.80 6.98 0.00 -1.88 -2.03 119.26 123.31 1mfn h ALA 15 Ca -0.09 -0.77 -0.57 0.00 0.00 0.00 0.00 54.91 53.47 1mfn h ALA 15 Cb 0.35 0.17 -0.38 0.00 0.00 0.00 0.00 17.79 17.93 1mfn h ALA 15 CO 0.12 0.47 -0.36 0.09 0.00 0.00 0.00 179.25 179.57 1mfn n ASN 16 N -4.07 5.60 0.00 0.00 4.13 -1.26 -2.54 115.26 117.12 1mfn n ASN 16 Ca -0.16 -3.76 0.00 0.00 1.68 0.00 0.00 54.58 52.34 1mfn n ASN 16 Cb 0.85 -0.52 0.00 0.00 -1.54 0.00 0.00 39.78 38.58 1mfn n ASN 16 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1mfn n SER 17 N -0.78 0.00 -3.59 6.41 3.41 -1.26 -2.77 113.62 115.04 1mfn n SER 17 Ca 0.49 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.97 1mfn n SER 17 Cb 0.89 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.78 1mfn n SER 17 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1mfn s PHE 18 N -1.55 -0.54 0.33 7.33 -0.12 -0.84 0.20 117.98 122.79 1mfn s PHE 18 Ca 0.00 1.13 0.08 0.00 -0.05 0.00 0.00 56.93 58.09 1mfn s PHE 18 Cb 0.00 0.38 -0.04 0.00 -0.63 0.00 0.00 43.02 42.73 1mfn s PHE 18 CO 0.00 -0.38 0.10 0.99 -0.05 0.00 0.00 175.22 175.88 1mfn s THR 19 N -0.48 3.05 0.28 -4.49 2.01 0.02 -0.08 115.64 115.95 1mfn s THR 19 Ca -0.02 -1.76 0.03 0.00 0.31 0.00 0.00 61.69 60.25 1mfn s THR 19 Cb -0.02 -2.94 -0.06 0.00 0.01 0.00 0.00 72.50 69.49 1mfn s THR 19 CO 0.01 -0.22 0.04 -0.69 -0.69 0.00 0.00 174.62 173.08 1mfn s VAL 20 N -2.42 1.01 0.10 3.82 1.01 -0.81 -1.52 120.40 121.60 1mfn s VAL 20 Ca 0.36 -2.02 -0.06 0.00 0.00 0.00 0.00 61.98 60.27 1mfn s VAL 20 Cb -0.03 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 1mfn s VAL 20 CO 0.22 -0.11 0.14 -1.00 0.00 0.00 0.00 175.10 174.34 1mfn s HIS 21 N -3.43 0.40 -0.25 5.22 3.76 0.66 -2.02 115.29 119.62 1mfn s HIS 21 Ca 0.34 -0.84 -0.26 0.00 -0.15 0.00 0.00 55.06 54.15 1mfn s HIS 21 Cb 0.07 -0.20 0.12 0.00 1.11 0.00 0.00 32.58 33.68 1mfn s HIS 21 CO 0.13 -0.54 1.03 1.67 -0.85 0.00 0.00 174.74 176.18 1mfn s TRP 22 N -3.93 -0.45 0.83 1.40 -2.14 -0.00 0.02 118.94 114.67 1mfn s TRP 22 Ca 0.11 1.04 -0.12 0.00 2.66 0.00 0.00 56.10 59.79 1mfn s TRP 22 Cb 0.06 0.38 0.09 0.00 -3.10 0.00 0.00 33.47 30.90 1mfn s TRP 22 CO -0.07 -0.25 1.11 0.08 -2.66 0.00 0.00 176.95 175.16 1mfn s VAL 23 N -0.07 2.80 0.46 -0.66 1.01 0.38 -4.73 120.40 119.59 1mfn s VAL 23 Ca 0.02 0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.27 1mfn s VAL 23 Cb -0.04 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.34 1mfn s VAL 23 CO -0.04 -0.34 0.67 0.00 0.00 0.00 0.00 175.10 175.38 1mfn s ALA 24 N -3.18 3.84 1.01 5.51 0.00 -1.26 -3.47 121.76 124.20 1mfn s ALA 24 Ca 0.62 -1.15 -0.17 0.00 0.00 0.00 0.00 51.96 51.26 1mfn s ALA 24 Cb -0.15 -2.08 0.22 0.00 0.00 0.00 0.00 23.12 21.12 1mfn s ALA 24 CO 0.54 -0.41 1.29 -1.25 0.00 0.00 0.00 175.76 175.93 1mfn s PRO 25 N -4.55 0.30 -0.06 0.00 0.04 -1.26 -4.70 135.00 124.76 1mfn s PRO 25 Ca 0.50 -0.36 0.14 0.00 0.04 0.00 0.00 61.00 61.32 1mfn s PRO 25 Cb -0.10 -1.80 0.45 0.00 0.04 0.00 0.00 34.50 33.09 1mfn s PRO 25 CO 0.37 -2.65 1.38 0.54 0.04 0.00 0.00 177.00 176.68 1mfn n ARG 26 N -3.95 3.02 -4.57 4.56 1.74 -1.26 -4.99 116.66 111.21 1mfn n ARG 26 Ca 0.15 -2.41 -0.31 0.00 -0.77 0.00 0.00 57.85 54.51 1mfn n ARG 26 Cb 0.59 -1.52 -0.07 0.00 -1.02 0.00 0.00 32.46 30.44 1mfn n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mfn s ALA 27 N -1.51 4.00 -0.25 7.54 0.00 -1.26 -5.05 121.76 125.22 1mfn s ALA 27 Ca 0.34 -0.88 -0.29 0.00 0.00 0.00 0.00 51.96 51.13 1mfn s ALA 27 Cb 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.25 1mfn s ALA 27 CO 0.18 -0.10 1.17 -1.25 0.00 0.00 0.00 175.76 175.75 1mfn s PRO 28 N -3.91 4.13 0.42 0.00 0.04 -1.26 -5.02 135.00 129.40 1mfn s PRO 28 Ca 0.16 1.35 0.05 0.00 0.04 0.00 0.00 61.00 62.60 1mfn s PRO 28 Cb 0.02 -3.75 -0.02 0.00 0.04 0.00 0.00 34.50 30.79 1mfn s PRO 28 CO 0.09 -0.83 0.17 0.96 0.04 0.00 0.00 177.00 177.43 1mfn s ILE 29 N 3.65 0.43 0.00 0.56 -4.36 -1.26 -4.78 121.20 115.44 1mfn s ILE 29 Ca 0.50 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.89 1mfn s ILE 29 Cb -0.17 -2.29 0.00 0.00 1.25 0.00 0.00 42.46 41.26 1mfn s ILE 29 CO 0.14 0.00 0.00 0.35 0.24 0.00 0.00 174.94 175.67 1mfn n THR 30 N -0.94 0.00 0.00 8.37 -2.24 -1.14 -4.99 114.28 113.35 1mfn n THR 30 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1mfn n THR 30 Cb 0.64 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 1mfn n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mfn n GLY 31 N 2.52 0.25 3.15 3.38 0.00 -1.25 -3.90 105.19 109.34 1mfn n GLY 31 Ca 0.00 -1.09 -0.28 0.00 0.00 0.00 0.00 46.02 44.65 1mfn n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mfn s TYR 32 N -2.00 1.93 0.37 1.61 1.51 -1.16 -2.38 117.35 117.23 1mfn s TYR 32 Ca 0.00 -0.62 -0.25 0.00 -1.01 0.00 0.00 57.07 55.18 1mfn s TYR 32 Cb 0.00 -1.30 -0.09 0.00 -0.11 0.00 0.00 41.96 40.46 1mfn s TYR 32 CO 0.00 -0.23 1.06 0.42 -1.11 0.00 0.00 175.55 175.69 1mfn s ILE 33 N 0.14 3.65 -0.43 2.71 -1.09 0.32 -2.29 121.20 124.21 1mfn s ILE 33 Ca -0.08 1.36 0.03 0.00 -2.23 0.00 0.00 60.65 59.74 1mfn s ILE 33 Cb -0.14 -3.75 0.12 0.00 -1.58 0.00 0.00 42.46 37.11 1mfn s ILE 33 CO 0.04 0.10 0.19 -0.63 -1.23 0.00 0.00 174.94 173.41 1mfn s ILE 34 N -1.52 1.94 -0.19 2.92 -1.09 0.64 -1.19 121.20 122.71 1mfn s ILE 34 Ca 0.54 -2.65 -0.07 0.00 -2.23 0.00 0.00 60.65 56.24 1mfn s ILE 34 Cb -0.25 -2.38 -0.04 0.00 -1.58 0.00 0.00 42.46 38.22 1mfn s ILE 34 CO 0.31 -0.78 0.06 -0.13 -1.23 0.00 0.00 174.94 173.18 1mfn s ARG 35 N 0.38 3.92 0.32 2.79 0.52 -0.74 -0.30 118.95 125.85 1mfn s ARG 35 Ca 0.15 -0.37 -0.04 0.00 -0.52 0.00 0.00 55.73 54.95 1mfn s ARG 35 Cb -0.23 -3.22 0.00 0.00 0.52 0.00 0.00 34.95 32.02 1mfn s ARG 35 CO -0.04 0.21 0.46 -3.38 0.02 0.00 0.00 175.30 172.57 1mfn s HIS 36 N 0.55 0.96 -0.77 -0.53 -3.43 -0.92 0.21 115.29 111.36 1mfn s HIS 36 Ca 0.03 -1.21 0.00 0.00 -0.80 0.00 0.00 55.06 53.08 1mfn s HIS 36 Cb -0.13 -0.06 0.00 0.00 -1.43 0.00 0.00 32.58 30.97 1mfn s HIS 36 CO 0.01 -1.10 0.00 -2.39 -2.00 0.00 0.00 174.74 169.26 1mfn n HIS 37 N -0.52 0.00 -4.69 0.38 1.44 0.15 -0.04 115.22 111.94 1mfn n HIS 37 Ca 0.00 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.38 1mfn n HIS 37 Cb 0.62 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.59 1mfn n HIS 37 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1mfn s ALA 38 N -1.34 2.75 0.46 1.59 0.00 -1.26 0.19 121.76 124.15 1mfn s ALA 38 Ca 0.00 -0.88 0.28 0.00 0.00 0.00 0.00 51.96 51.36 1mfn s ALA 38 Cb 0.00 -1.27 1.55 0.00 0.00 0.00 0.00 23.12 23.40 1mfn s ALA 38 CO 0.00 0.31 1.85 1.05 0.00 0.00 0.00 175.76 178.97 1mfn h GLU 39 N 6.39 0.00 -0.52 0.00 4.11 -1.88 0.90 114.58 123.58 1mfn h GLU 39 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.11 1mfn h GLU 39 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1mfn h GLU 39 CO 0.56 0.00 0.00 0.72 0.07 0.00 0.00 179.01 180.36 1mfn n HIS 40 N -2.70 1.12 -0.77 2.06 8.25 -1.26 -4.94 115.22 116.97 1mfn n HIS 40 Ca -0.02 -0.62 0.00 0.00 -0.26 0.00 0.00 57.72 56.82 1mfn n HIS 40 Cb 0.29 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.21 1mfn n HIS 40 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1mfn n SER 41 N 0.74 0.00 -4.79 0.41 3.41 0.31 -5.08 113.62 108.61 1mfn n SER 41 Ca 0.22 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.53 1mfn n SER 41 Cb 0.76 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.83 1mfn n SER 41 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1mfn s VAL 42 N 3.44 2.49 0.00 -3.33 0.11 -1.26 -4.98 120.40 116.86 1mfn s VAL 42 Ca 0.00 0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.21 1mfn s VAL 42 Cb 0.00 -2.90 0.00 0.00 -1.53 0.00 0.00 36.38 31.95 1mfn s VAL 42 CO 0.00 -0.21 0.00 0.61 -3.33 0.00 0.00 175.10 172.17 1mfn n GLY 43 N -2.15 -1.54 3.49 6.54 0.00 -1.26 -4.62 105.19 105.65 1mfn n GLY 43 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1mfn n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mfn n ARG 44 N 0.00 0.73 -1.86 1.61 5.12 -1.26 -4.94 116.66 116.05 1mfn n ARG 44 Ca 0.00 0.26 -0.29 0.00 -1.93 0.00 0.00 57.85 55.89 1mfn n ARG 44 Cb 0.00 -1.54 0.11 0.00 -1.16 0.00 0.00 32.46 29.88 1mfn n ARG 44 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1mfn s PRO 45 N -1.49 1.60 0.53 5.56 0.04 -1.26 -5.04 135.00 134.94 1mfn s PRO 45 Ca 0.62 0.03 -0.08 0.00 0.04 0.00 0.00 61.00 61.61 1mfn s PRO 45 Cb -0.68 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 31.90 1mfn s PRO 45 CO 0.58 -1.83 0.88 -0.98 0.04 0.00 0.00 177.00 175.69 1mfn s ARG 46 N -5.61 3.59 -0.16 4.56 1.70 0.95 -4.87 118.95 119.11 1mfn s ARG 46 Ca 0.64 0.43 -0.08 0.00 -0.47 0.00 0.00 55.73 56.26 1mfn s ARG 46 Cb -0.10 -2.26 -0.04 0.00 -0.57 0.00 0.00 34.95 31.97 1mfn s ARG 46 CO 0.50 -0.33 0.13 -0.65 -1.08 0.00 0.00 175.30 173.87 1mfn s GLN 47 N -4.84 3.82 -0.04 3.89 -0.21 -1.26 -2.15 119.66 118.86 1mfn s GLN 47 Ca 0.51 -0.19 -0.14 0.00 0.02 0.00 0.00 55.36 55.56 1mfn s GLN 47 Cb -0.11 -3.29 0.02 0.00 1.00 0.00 0.00 33.01 30.64 1mfn s GLN 47 CO 0.47 0.52 0.31 -0.51 -2.12 0.00 0.00 175.29 173.96 1mfn s ASP 48 N -0.28 -0.21 0.11 5.90 1.11 0.59 -4.96 116.67 118.92 1mfn s ASP 48 Ca 0.11 0.20 0.03 0.00 0.18 0.00 0.00 52.55 53.06 1mfn s ASP 48 Cb -0.12 0.39 -0.04 0.00 1.07 0.00 0.00 42.92 44.22 1mfn s ASP 48 CO 0.01 -0.37 -0.08 -0.13 1.18 0.00 0.00 175.17 175.78 1mfn s ARG 49 N -1.01 0.87 0.10 8.23 3.00 -1.25 0.24 118.95 129.12 1mfn s ARG 49 Ca -0.11 -1.30 0.01 0.00 0.00 0.00 0.00 55.73 54.33 1mfn s ARG 49 Cb -0.05 -0.34 -0.04 0.00 0.00 0.00 0.00 34.95 34.52 1mfn s ARG 49 CO 0.03 0.02 -0.04 0.14 0.00 0.00 0.00 175.30 175.45 1mfn s VAL 50 N -3.27 0.55 0.97 3.52 -7.23 -0.97 -4.78 120.40 109.18 1mfn s VAL 50 Ca 0.11 -1.91 -0.15 0.00 -1.81 0.00 0.00 61.98 58.22 1mfn s VAL 50 Cb 0.03 -1.74 0.18 0.00 0.56 0.00 0.00 36.38 35.40 1mfn s VAL 50 CO -0.03 -0.81 1.20 -2.16 -0.31 0.00 0.00 175.10 172.99 1mfn s PRO 51 N -3.88 0.62 0.20 4.82 0.04 -1.26 -3.00 135.00 132.54 1mfn s PRO 51 Ca 0.14 -0.03 0.09 0.00 0.04 0.00 0.00 61.00 61.24 1mfn s PRO 51 Cb 0.06 -1.81 0.08 0.00 0.04 0.00 0.00 34.50 32.88 1mfn s PRO 51 CO -0.04 -2.49 1.45 -1.00 0.04 0.00 0.00 177.00 174.96 1mfn h PRO 52 N -1.70 0.00 -0.00 0.56 0.13 -1.92 -3.04 132.00 126.03 1mfn h PRO 52 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1mfn h PRO 52 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1mfn h PRO 52 CO 0.49 0.78 -0.11 0.43 -0.23 0.00 0.00 178.00 179.36 1mfn n SER 53 N -3.54 0.21 -4.49 1.44 7.64 -1.26 -4.67 113.62 108.95 1mfn n SER 53 Ca -0.00 -0.03 -0.43 0.00 1.01 0.00 0.00 58.87 59.41 1mfn n SER 53 Cb 0.77 -0.22 -0.07 0.00 -1.01 0.00 0.00 64.21 63.68 1mfn n SER 53 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1mfn s ARG 54 N -2.78 3.19 0.00 1.43 3.00 -1.15 -4.88 118.95 117.76 1mfn s ARG 54 Ca 0.20 -0.59 0.25 0.00 0.00 0.00 0.00 55.73 55.59 1mfn s ARG 54 Cb 0.19 -3.98 0.36 0.00 0.00 0.00 0.00 34.95 31.52 1mfn s ARG 54 CO 0.53 -0.98 1.34 0.27 0.00 0.00 0.00 175.30 176.46 1mfn n ASN 55 N 6.01 2.33 -3.94 0.23 0.23 -1.26 -4.72 115.26 114.14 1mfn n ASN 55 Ca -0.04 -1.70 -0.10 0.00 -0.53 0.00 0.00 54.58 52.20 1mfn n ASN 55 Cb 0.47 0.12 -0.11 0.00 -2.08 0.00 0.00 39.78 38.18 1mfn n ASN 55 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1mfn s SER 56 N -2.15 0.14 -0.10 0.53 1.04 -1.26 -0.82 113.70 111.08 1mfn s SER 56 Ca 0.27 -0.33 -0.01 0.00 0.48 0.00 0.00 55.95 56.37 1mfn s SER 56 Cb 0.20 0.11 0.03 0.00 0.10 0.00 0.00 66.02 66.46 1mfn s SER 56 CO 0.39 -0.25 -0.04 -0.51 0.98 0.00 0.00 173.24 173.81 1mfn s ILE 57 N -1.13 0.77 0.06 -1.02 2.07 -0.86 -4.92 121.20 116.17 1mfn s ILE 57 Ca -0.12 -0.15 -0.21 0.00 -1.41 0.00 0.00 60.65 58.75 1mfn s ILE 57 Cb -0.07 -0.86 -0.06 0.00 0.13 0.00 0.00 42.46 41.59 1mfn s ILE 57 CO -0.00 0.30 0.63 -0.89 -1.91 0.00 0.00 174.94 173.07 1mfn s THR 58 N 1.81 4.72 0.25 4.00 2.01 -1.26 -1.92 115.64 125.25 1mfn s THR 58 Ca 0.05 1.35 0.09 0.00 0.31 0.00 0.00 61.69 63.48 1mfn s THR 58 Cb -0.13 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 1mfn s THR 58 CO -0.07 0.49 0.04 -0.76 -0.69 0.00 0.00 174.62 173.63 1mfn s LEU 59 N -0.76 3.34 0.26 4.42 1.43 0.89 -4.93 118.68 123.33 1mfn s LEU 59 Ca 0.32 -0.53 -0.03 0.00 -1.03 0.00 0.00 54.13 52.86 1mfn s LEU 59 Cb -0.20 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.12 1mfn s LEU 59 CO 0.20 0.00 0.31 0.42 0.23 0.00 0.00 176.35 177.51 1mfn s THR 60 N -2.22 0.00 -1.27 5.49 -4.23 -1.26 -1.99 115.64 110.16 1mfn s THR 60 Ca 0.31 -1.78 -0.04 0.00 -1.18 0.00 0.00 61.69 59.00 1mfn s THR 60 Cb -0.07 -2.46 -0.01 0.00 1.34 0.00 0.00 72.50 71.30 1mfn s THR 60 CO 0.21 0.00 0.69 0.59 -0.54 0.00 0.00 174.62 175.57 1mfn n ASN 61 N -0.75 -2.10 -4.20 3.99 5.03 -1.12 -4.87 115.26 111.24 1mfn n ASN 61 Ca 0.02 -0.87 -0.30 0.00 0.87 0.00 0.00 54.58 54.30 1mfn n ASN 61 Cb 0.63 -3.89 -0.17 0.00 -1.02 0.00 0.00 39.78 35.34 1mfn n ASN 61 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1mfn s LEU 62 N -6.59 2.00 0.02 3.41 1.43 -1.26 -5.02 118.68 112.68 1mfn s LEU 62 Ca 0.11 -0.47 -0.37 0.00 -1.03 0.00 0.00 54.13 52.37 1mfn s LEU 62 Cb -0.03 -1.24 -0.16 0.00 0.03 0.00 0.00 46.19 44.78 1mfn s LEU 62 CO 0.83 0.18 1.43 0.59 0.23 0.00 0.00 176.35 179.61 1mfn n ASN 63 N 3.21 1.88 -4.73 2.29 3.02 -1.26 -4.23 115.26 115.44 1mfn n ASN 63 Ca -0.18 1.11 -0.41 0.00 -0.03 0.00 0.00 54.58 55.06 1mfn n ASN 63 Cb 0.52 -1.20 -0.04 0.00 -0.61 0.00 0.00 39.78 38.46 1mfn n ASN 63 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1mfn s PRO 64 N 1.09 4.61 0.00 3.52 0.04 -1.05 -4.17 135.00 139.04 1mfn s PRO 64 Ca 0.87 1.56 0.00 0.00 0.04 0.00 0.00 61.00 63.47 1mfn s PRO 64 Cb -0.96 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 30.23 1mfn s PRO 64 CO 0.50 0.07 0.00 0.41 0.04 0.00 0.00 177.00 178.02 1mfn n GLY 65 N 2.42 0.79 3.45 0.56 0.00 0.78 -4.67 105.19 108.52 1mfn n GLY 65 Ca 0.04 -0.35 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 1mfn n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mfn s THR 66 N -2.86 0.00 -0.04 2.61 2.01 -1.00 -4.91 115.64 111.45 1mfn s THR 66 Ca 0.00 0.00 -0.19 0.00 0.31 0.00 0.00 61.69 61.81 1mfn s THR 66 Cb 0.00 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 1mfn s THR 66 CO 0.00 0.00 0.52 -1.61 -0.69 0.00 0.00 174.62 172.84 1mfn s GLU 67 N -3.51 4.24 -0.22 4.92 0.41 -1.26 0.20 118.70 123.48 1mfn s GLU 67 Ca 0.02 0.57 0.01 0.00 -0.41 0.00 0.00 54.97 55.17 1mfn s GLU 67 Cb -0.01 -3.35 0.04 0.00 -1.78 0.00 0.00 34.13 29.03 1mfn s GLU 67 CO -0.11 0.37 -0.14 0.71 -0.49 0.00 0.00 175.26 175.60 1mfn s TYR 68 N -0.13 3.01 -0.24 1.61 2.02 -0.90 -2.68 117.35 120.04 1mfn s TYR 68 Ca 0.28 -1.88 -0.27 0.00 -0.37 0.00 0.00 57.07 54.83 1mfn s TYR 68 Cb -0.17 -1.95 0.00 0.00 -0.40 0.00 0.00 41.96 39.45 1mfn s TYR 68 CO 0.14 -0.82 0.93 0.08 -1.57 0.00 0.00 175.55 174.31 1mfn s VAL 69 N 1.23 4.76 -0.04 0.71 1.01 0.50 -2.06 120.40 126.50 1mfn s VAL 69 Ca -0.01 1.80 0.06 0.00 0.00 0.00 0.00 61.98 63.83 1mfn s VAL 69 Cb -0.16 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 1mfn s VAL 69 CO -0.09 -0.12 -0.22 -0.69 0.00 0.00 0.00 175.10 173.98 1mfn s VAL 70 N 3.01 2.41 -0.04 2.92 1.01 0.70 0.32 120.40 130.72 1mfn s VAL 70 Ca 0.39 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.47 1mfn s VAL 70 Cb -0.15 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 1mfn s VAL 70 CO 0.07 0.58 -0.20 -0.94 0.00 0.00 0.00 175.10 174.61 1mfn s SER 71 N -0.51 3.58 -0.47 3.32 1.04 0.58 -0.25 113.70 120.98 1mfn s SER 71 Ca 0.07 -0.33 0.04 0.00 0.48 0.00 0.00 55.95 56.21 1mfn s SER 71 Cb -0.11 -0.69 0.12 0.00 0.10 0.00 0.00 66.02 65.44 1mfn s SER 71 CO 0.01 0.32 0.21 -0.63 0.98 0.00 0.00 173.24 174.13 1mfn s ILE 72 N -0.58 2.46 0.01 -1.02 -1.09 0.31 -1.79 121.20 119.49 1mfn s ILE 72 Ca 0.09 -3.06 -0.18 0.00 -2.23 0.00 0.00 60.65 55.27 1mfn s ILE 72 Cb -0.11 -2.73 -0.06 0.00 -1.58 0.00 0.00 42.46 37.98 1mfn s ILE 72 CO 0.00 -0.76 0.51 -0.63 -1.23 0.00 0.00 174.94 172.84 1mfn s ILE 73 N 0.02 4.92 -0.13 2.92 -1.09 -0.33 -2.70 121.20 124.81 1mfn s ILE 73 Ca 0.16 1.07 -0.08 0.00 -2.23 0.00 0.00 60.65 59.56 1mfn s ILE 73 Cb -0.24 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 36.76 1mfn s ILE 73 CO -0.02 0.50 0.16 0.00 -1.23 0.00 0.00 174.94 174.35 1mfn s ALA 74 N -0.66 3.83 0.09 9.38 0.00 -1.26 0.12 121.76 133.25 1mfn s ALA 74 Ca 0.27 -0.62 0.07 0.00 0.00 0.00 0.00 51.96 51.68 1mfn s ALA 74 Cb -0.18 -2.04 -0.03 0.00 0.00 0.00 0.00 23.12 20.87 1mfn s ALA 74 CO 0.16 0.51 -0.18 0.14 0.00 0.00 0.00 175.76 176.38 1mfn s VAL 75 N -0.72 1.49 -0.33 0.00 -7.23 -1.00 -1.56 120.40 111.04 1mfn s VAL 75 Ca 0.14 -1.47 0.16 0.00 -1.81 0.00 0.00 61.98 59.01 1mfn s VAL 75 Cb -0.12 -1.39 0.46 0.00 0.56 0.00 0.00 36.38 35.89 1mfn s VAL 75 CO 0.03 -0.13 0.97 -3.20 -0.31 0.00 0.00 175.10 172.46 1mfn n ASN 76 N 1.13 1.85 0.00 4.85 4.05 -0.87 -2.86 115.26 123.40 1mfn n ASN 76 Ca -0.20 -2.82 0.00 0.00 0.45 0.00 0.00 54.58 52.01 1mfn n ASN 76 Cb 0.54 -0.52 0.00 0.00 1.23 0.00 0.00 39.78 41.03 1mfn n ASN 76 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1mfn n GLY 77 N -0.12 1.51 0.59 8.20 0.00 -1.26 -3.59 105.19 110.52 1mfn n GLY 77 Ca 0.13 -0.36 0.08 0.00 0.00 0.00 0.00 46.02 45.86 1mfn n GLY 77 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1mfn n ARG 78 N 0.00 1.31 -3.93 1.61 3.00 -1.26 -4.96 116.66 112.43 1mfn n ARG 78 Ca 0.00 -1.34 -0.32 0.00 -0.00 0.00 0.00 57.85 56.19 1mfn n ARG 78 Cb 0.00 -1.30 -0.04 0.00 0.00 0.00 0.00 32.46 31.12 1mfn n ARG 78 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1mfn s GLU 79 N -1.41 3.40 -0.30 -0.14 2.02 -1.24 -5.08 118.70 115.96 1mfn s GLU 79 Ca 0.18 -0.43 0.02 0.00 0.02 0.00 0.00 54.97 54.76 1mfn s GLU 79 Cb 0.13 -3.03 0.08 0.00 0.10 0.00 0.00 34.13 31.41 1mfn s GLU 79 CO 0.23 0.62 0.01 -1.21 0.02 0.00 0.00 175.26 174.94 1mfn s GLU 80 N -2.35 1.47 1.25 1.61 8.01 -1.26 -2.05 118.70 125.38 1mfn s GLU 80 Ca 0.33 -1.43 -0.21 0.00 0.01 0.00 0.00 54.97 53.67 1mfn s GLU 80 Cb -0.13 -2.78 0.32 0.00 -4.31 0.00 0.00 34.13 27.24 1mfn s GLU 80 CO 0.25 -0.81 0.73 -1.13 0.01 0.00 0.00 175.26 174.31 1mfn n SER 81 N 4.49 -3.86 -4.80 -0.19 3.41 -0.60 -4.95 113.62 107.12 1mfn n SER 81 Ca -0.04 -0.74 -0.34 0.00 -0.26 0.00 0.00 58.87 57.50 1mfn n SER 81 Cb 0.43 -0.84 -0.03 0.00 -0.26 0.00 0.00 64.21 63.50 1mfn n SER 81 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1mfn s PRO 82 N -4.73 3.79 -0.31 4.33 0.04 -1.26 -4.67 135.00 132.18 1mfn s PRO 82 Ca 0.56 1.28 -0.29 0.00 0.04 0.00 0.00 61.00 62.59 1mfn s PRO 82 Cb -0.10 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.35 1mfn s PRO 82 CO 0.47 -0.43 1.23 -1.25 0.04 0.00 0.00 177.00 177.06 1mfn s PRO 83 N -3.42 3.95 -0.43 0.56 0.04 -1.26 -4.19 135.00 130.25 1mfn s PRO 83 Ca 0.65 1.17 -0.10 0.00 0.04 0.00 0.00 61.00 62.76 1mfn s PRO 83 Cb -0.15 -3.84 0.08 0.00 0.04 0.00 0.00 34.50 30.64 1mfn s PRO 83 CO 0.23 -1.07 0.28 -1.17 0.04 0.00 0.00 177.00 175.31 1mfn s LEU 84 N 4.16 5.27 0.30 -3.56 2.96 -1.10 -4.98 118.68 121.73 1mfn s LEU 84 Ca 0.53 -1.54 0.09 0.00 -0.22 0.00 0.00 54.13 52.98 1mfn s LEU 84 Cb -0.15 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 1mfn s LEU 84 CO 0.21 -0.57 0.08 -0.63 -1.32 0.00 0.00 176.35 174.13 1mfn s ILE 85 N 1.44 3.38 0.17 6.68 1.01 -1.26 0.11 121.20 132.73 1mfn s ILE 85 Ca 0.03 -1.76 -0.18 0.00 0.00 0.00 0.00 60.65 58.75 1mfn s ILE 85 Cb -0.24 -2.97 0.04 0.00 0.01 0.00 0.00 42.46 39.30 1mfn s ILE 85 CO 0.02 -0.29 0.50 -0.83 0.00 0.00 0.00 174.94 174.35 1mfn s GLY 86 N -3.77 -0.21 -0.08 6.18 0.00 0.65 -4.93 107.32 105.16 1mfn s GLY 86 Ca 0.34 -0.08 -0.02 0.00 0.00 0.00 0.00 44.72 44.96 1mfn s GLY 86 CO 0.22 -0.22 0.02 1.20 0.00 0.00 0.00 173.10 174.32 1mfn s GLN 87 N -3.84 0.43 0.00 2.90 -0.21 -1.26 -0.21 119.66 117.47 1mfn s GLN 87 Ca 0.07 0.11 0.00 0.00 0.02 0.00 0.00 55.36 55.56 1mfn s GLN 87 Cb -0.00 -1.02 0.00 0.00 1.00 0.00 0.00 33.01 32.99 1mfn s GLN 87 CO -0.06 -0.36 0.00 0.00 -2.12 0.00 0.00 175.29 172.75 1mfn n GLN 88 N 5.18 3.69 -3.64 2.91 0.00 -0.87 -4.91 117.38 119.74 1mfn n GLN 88 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 57.00 56.85 1mfn n GLN 88 Cb 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.67 1mfn n GLN 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1mfn s ALA 89 N -2.47 -1.98 0.23 2.61 0.00 -1.26 -2.13 121.76 116.76 1mfn s ALA 89 Ca 0.00 2.05 -0.30 0.00 0.00 0.00 0.00 51.96 53.71 1mfn s ALA 89 Cb 0.00 -1.44 -0.09 0.00 0.00 0.00 0.00 23.12 21.60 1mfn s ALA 89 CO 0.00 -0.30 1.10 0.95 0.00 0.00 0.00 175.76 177.51 1mfn s THR 90 N 0.66 3.67 0.96 0.00 -4.23 0.55 -4.85 115.64 112.41 1mfn s THR 90 Ca -0.02 1.56 -0.12 0.00 -1.18 0.00 0.00 61.69 61.93 1mfn s THR 90 Cb -0.05 -3.99 0.08 0.00 1.34 0.00 0.00 72.50 69.89 1mfn s THR 90 CO -0.08 0.32 0.62 0.52 -0.54 0.00 0.00 174.62 175.45 1mfn n VAL 91 N 1.79 0.00 -4.01 2.29 0.31 -0.76 -1.73 118.33 116.23 1mfn n VAL 91 Ca 0.01 -0.15 -0.27 0.00 -0.01 0.00 0.00 64.34 63.92 1mfn n VAL 91 Cb 0.45 -0.74 -0.04 0.00 -0.91 0.00 0.00 33.84 32.60 1mfn n VAL 91 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1mfn s SER 92 N -2.20 5.95 -0.14 4.52 0.01 -1.26 0.28 113.70 120.86 1mfn s SER 92 Ca 0.60 0.04 -0.07 0.00 1.31 0.00 0.00 55.95 57.84 1mfn s SER 92 Cb -0.21 -1.69 -0.25 0.00 0.21 0.00 0.00 66.02 64.08 1mfn s SER 92 CO 0.65 0.07 0.28 -0.90 0.41 0.00 0.00 173.24 173.75 1mfn n ASP 93 N -0.34 2.10 -4.76 2.44 5.75 -1.26 -3.34 116.55 117.13 1mfn n ASP 93 Ca -0.07 0.18 -0.39 0.00 -0.01 0.00 0.00 54.79 54.50 1mfn n ASP 93 Cb 0.54 -0.82 -0.05 0.00 -1.03 0.00 0.00 41.12 39.76 1mfn n ASP 93 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1mfn s ILE 94 N -2.54 3.83 -1.21 2.12 1.01 -1.26 -4.53 121.20 118.62 1mfn s ILE 94 Ca -0.24 1.72 -0.19 0.00 0.00 0.00 0.00 60.65 61.93 1mfn s ILE 94 Cb 0.07 -4.05 0.07 0.00 0.01 0.00 0.00 42.46 38.56 1mfn s ILE 94 CO 0.74 0.32 1.64 -2.16 0.00 0.00 0.00 174.94 175.47 1mfn s PRO 95 N -1.61 3.88 0.82 2.79 0.04 -1.26 -4.72 135.00 134.94 1mfn s PRO 95 Ca 0.46 -1.78 -0.14 0.00 0.04 0.00 0.00 61.00 59.59 1mfn s PRO 95 Cb -0.26 -5.46 0.20 0.00 0.04 0.00 0.00 34.50 29.02 1mfn s PRO 95 CO 0.33 -2.22 0.75 2.89 0.04 0.00 0.00 177.00 178.80 1mfn n ARG 96 N 8.38 -2.33 -1.85 4.56 1.85 -1.24 -4.29 116.66 121.73 1mfn n ARG 96 Ca 0.44 -1.20 -0.03 0.00 -1.00 0.00 0.00 57.85 56.06 1mfn n ARG 96 Cb 0.47 -1.09 -0.00 0.00 -1.05 0.00 0.00 32.46 30.79 1mfn n ARG 96 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1mfn n ASP 97 N -4.21 -2.10 -4.56 2.89 -0.08 -1.26 0.35 116.55 107.58 1mfn n ASP 97 Ca 0.10 0.01 -0.41 0.00 -1.51 0.00 0.00 54.79 52.99 1mfn n ASP 97 Cb 0.40 -1.17 -0.03 0.00 2.34 0.00 0.00 41.12 42.66 1mfn n ASP 97 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1mfn s LEU 98 N -0.86 3.27 0.23 -2.67 2.96 -1.22 -3.86 118.68 116.54 1mfn s LEU 98 Ca 0.00 -0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 1mfn s LEU 98 Cb 0.00 -2.74 -0.05 0.00 0.50 0.00 0.00 46.19 43.91 1mfn s LEU 98 CO 0.00 -1.88 0.12 -1.83 -1.32 0.00 0.00 176.35 171.43 1mfn s GLU 99 N 5.87 1.32 0.14 1.98 -1.05 -0.98 -4.90 118.70 121.08 1mfn s GLU 99 Ca 0.47 -1.71 -0.08 0.00 -0.15 0.00 0.00 54.97 53.50 1mfn s GLU 99 Cb -0.10 -0.00 -0.06 0.00 -0.44 0.00 0.00 34.13 33.53 1mfn s GLU 99 CO 0.20 -0.35 0.43 0.54 0.95 0.00 0.00 175.26 177.03 1mfn s VAL 100 N -3.94 5.07 0.00 1.83 0.11 -1.26 -1.96 120.40 120.26 1mfn s VAL 100 Ca 0.38 0.32 0.00 0.00 -2.93 0.00 0.00 61.98 59.75 1mfn s VAL 100 Cb 0.07 -3.63 0.00 0.00 -1.53 0.00 0.00 36.38 31.29 1mfn s VAL 100 CO 0.13 0.12 0.20 2.30 -3.33 0.00 0.00 175.10 174.51 1mfn n ILE 101 N 0.37 0.00 -3.38 7.04 -5.35 -0.38 -4.96 119.36 112.71 1mfn n ILE 101 Ca -0.04 -0.26 0.02 0.00 -0.27 0.00 0.00 62.75 62.20 1mfn n ILE 101 Cb 0.52 1.37 -0.03 0.00 -1.74 0.00 0.00 39.64 39.76 1mfn n ILE 101 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1mfn s ALA 102 N -0.12 -2.52 -0.67 -1.28 0.00 -1.26 -4.89 121.76 111.00 1mfn s ALA 102 Ca 0.00 2.00 -0.10 0.00 0.00 0.00 0.00 51.96 53.86 1mfn s ALA 102 Cb 0.00 -2.07 0.18 0.00 0.00 0.00 0.00 23.12 21.23 1mfn s ALA 102 CO 0.00 -1.11 0.57 0.45 0.00 0.00 0.00 175.76 175.68 1mfn s SER 103 N 2.75 6.11 0.71 0.00 0.15 -1.26 -0.14 113.70 122.02 1mfn s SER 103 Ca 0.02 -2.48 -0.11 0.00 0.70 0.00 0.00 55.95 54.08 1mfn s SER 103 Cb -0.10 -2.08 0.02 0.00 -1.71 0.00 0.00 66.02 62.14 1mfn s SER 103 CO -0.18 -0.58 1.08 0.42 1.20 0.00 0.00 173.24 175.19 1mfn s THR 104 N 0.50 3.63 -1.76 6.45 -4.23 0.51 -4.90 115.64 115.85 1mfn s THR 104 Ca 0.14 0.53 0.13 0.00 -1.18 0.00 0.00 61.69 61.31 1mfn s THR 104 Cb -0.18 -3.44 0.31 0.00 1.34 0.00 0.00 72.50 70.53 1mfn s THR 104 CO -0.05 -0.69 1.27 -0.81 -0.54 0.00 0.00 174.62 173.80 1mfn n PRO 105 N -3.08 0.32 -0.55 3.99 -0.04 -1.26 -2.80 135.00 131.58 1mfn n PRO 105 Ca 0.07 0.07 -0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1mfn n PRO 105 Cb 0.56 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.52 1mfn n PRO 105 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1mfn n THR 106 N -1.12 0.00 -3.59 0.52 -2.24 -1.26 -4.24 114.28 102.35 1mfn n THR 106 Ca 0.08 -0.02 -0.04 0.00 -2.27 0.00 0.00 64.05 61.80 1mfn n THR 106 Cb 0.07 0.16 -0.02 0.00 -2.10 0.00 0.00 70.33 68.44 1mfn n THR 106 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1mfn s SER 107 N -0.31 -0.17 0.04 3.42 1.04 -1.12 -1.50 113.70 115.09 1mfn s SER 107 Ca 0.01 -0.03 -0.00 0.00 0.48 0.00 0.00 55.95 56.40 1mfn s SER 107 Cb 0.01 0.20 -0.03 0.00 0.10 0.00 0.00 66.02 66.30 1mfn s SER 107 CO -0.00 -0.34 -0.03 -0.76 0.98 0.00 0.00 173.24 173.09 1mfn s LEU 108 N -2.35 2.39 -0.18 2.42 1.43 -0.88 0.19 118.68 121.70 1mfn s LEU 108 Ca 0.09 -0.79 -0.09 0.00 -1.03 0.00 0.00 54.13 52.31 1mfn s LEU 108 Cb -0.00 0.14 -0.05 0.00 0.03 0.00 0.00 46.19 46.31 1mfn s LEU 108 CO -0.05 -0.46 0.13 -0.76 0.23 0.00 0.00 176.35 175.43 1mfn s LEU 109 N -2.31 4.23 -0.00 1.79 1.43 0.81 -2.14 118.68 122.48 1mfn s LEU 109 Ca -0.02 0.28 0.08 0.00 -1.03 0.00 0.00 54.13 53.44 1mfn s LEU 109 Cb 0.00 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 1mfn s LEU 109 CO -0.06 0.24 -0.25 0.27 0.23 0.00 0.00 176.35 176.78 1mfn s ILE 110 N -0.02 2.14 -0.02 -0.59 -4.36 -0.64 -1.24 121.20 116.45 1mfn s ILE 110 Ca 0.10 -1.17 0.02 0.00 -0.26 0.00 0.00 60.65 59.34 1mfn s ILE 110 Cb -0.11 -1.77 0.01 0.00 1.25 0.00 0.00 42.46 41.83 1mfn s ILE 110 CO -0.00 0.52 -0.07 -0.55 0.24 0.00 0.00 174.94 175.08 1mfn s SER 111 N -0.80 0.98 0.00 4.36 0.15 -0.83 -1.08 113.70 116.48 1mfn s SER 111 Ca 0.11 -0.15 -0.00 0.00 0.70 0.00 0.00 55.95 56.61 1mfn s SER 111 Cb -0.10 -0.29 -0.01 0.00 -1.71 0.00 0.00 66.02 63.91 1mfn s SER 111 CO 0.00 0.03 0.00 -1.66 1.20 0.00 0.00 173.24 172.81 1mfn s TRP 112 N 0.31 0.07 0.24 3.44 -2.14 -0.96 -2.31 118.94 117.60 1mfn s TRP 112 Ca -0.04 -0.14 -0.30 0.00 2.66 0.00 0.00 56.10 58.28 1mfn s TRP 112 Cb -0.09 -0.06 -0.09 0.00 -3.10 0.00 0.00 33.47 30.14 1mfn s TRP 112 CO 0.00 -0.07 1.27 -1.21 -2.66 0.00 0.00 176.95 174.28 1mfn s GLU 113 N -0.46 4.43 0.30 3.25 0.41 0.15 -4.75 118.70 122.03 1mfn s GLU 113 Ca -0.05 2.04 -0.27 0.00 -0.41 0.00 0.00 54.97 56.28 1mfn s GLU 113 Cb -0.03 -3.17 -0.09 0.00 -1.78 0.00 0.00 34.13 29.06 1mfn s GLU 113 CO -0.00 -0.15 0.97 -1.25 -0.49 0.00 0.00 175.26 174.34 1mfn s PRO 114 N -0.74 4.62 0.96 0.39 0.04 -1.26 -3.72 135.00 135.28 1mfn s PRO 114 Ca 0.53 1.45 -0.15 0.00 0.04 0.00 0.00 61.00 62.86 1mfn s PRO 114 Cb -0.36 -2.95 0.18 0.00 0.04 0.00 0.00 34.50 31.41 1mfn s PRO 114 CO 0.42 0.29 1.26 -1.25 0.04 0.00 0.00 177.00 177.76 1mfn s PRO 115 N -1.79 0.72 0.00 0.56 0.04 -1.26 -4.97 135.00 128.29 1mfn s PRO 115 Ca 0.48 -0.22 0.23 0.00 0.04 0.00 0.00 61.00 61.53 1mfn s PRO 115 Cb -0.23 -1.84 0.57 0.00 0.04 0.00 0.00 34.50 33.05 1mfn s PRO 115 CO 0.29 -2.39 1.47 0.00 0.04 0.00 0.00 177.00 176.40 1mfn n ALA 116 N -3.79 2.48 -1.99 8.56 0.00 -1.21 -4.92 120.51 119.63 1mfn n ALA 116 Ca 0.13 -0.72 -0.20 0.00 0.00 0.00 0.00 53.44 52.64 1mfn n ALA 116 Cb 0.60 -0.97 0.04 0.00 0.00 0.00 0.00 19.45 19.11 1mfn n ALA 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1mfn s VAL 117 N -1.72 2.69 -0.76 0.00 -7.23 -1.26 -4.82 120.40 107.30 1mfn s VAL 117 Ca 0.35 -0.77 -0.25 0.00 -1.81 0.00 0.00 61.98 59.50 1mfn s VAL 117 Cb 0.20 -2.92 0.05 0.00 0.56 0.00 0.00 36.38 34.27 1mfn s VAL 117 CO 0.29 0.00 1.20 -0.44 -0.31 0.00 0.00 175.10 175.85 1mfn s SER 118 N -4.44 6.23 -0.11 4.85 0.01 -1.26 -4.99 113.70 113.99 1mfn s SER 118 Ca 0.58 -0.83 -0.24 0.00 1.31 0.00 0.00 55.95 56.77 1mfn s SER 118 Cb -0.10 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 1mfn s SER 118 CO 0.37 -1.64 0.72 -0.69 0.41 0.00 0.00 173.24 172.42 1mfn s VAL 119 N 4.98 5.00 -0.07 3.43 1.01 -1.26 -4.86 120.40 128.64 1mfn s VAL 119 Ca 0.32 1.46 -0.18 0.00 0.00 0.00 0.00 61.98 63.58 1mfn s VAL 119 Cb -0.09 -4.05 -0.14 0.00 0.00 0.00 0.00 36.38 32.10 1mfn s VAL 119 CO 0.09 0.18 0.70 -0.09 0.00 0.00 0.00 175.10 175.98 1mfn h ARG 120 N 7.00 -0.19 -2.57 2.72 1.12 -1.62 -3.45 114.38 117.38 1mfn h ARG 120 Ca -0.37 0.01 0.13 0.00 -1.11 0.00 0.00 59.98 58.65 1mfn h ARG 120 Cb 1.17 0.04 -0.05 0.00 -0.01 0.00 0.00 29.97 31.13 1mfn h ARG 120 CO 0.78 0.20 0.47 1.52 -3.11 0.00 0.00 179.97 179.82 1mfn s TYR 121 N -2.99 -0.02 0.19 2.20 1.13 -1.04 -3.66 117.35 113.16 1mfn s TYR 121 Ca -0.11 -0.40 0.11 0.00 -1.41 0.00 0.00 57.07 55.26 1mfn s TYR 121 Cb 0.00 0.70 -0.04 0.00 -1.10 0.00 0.00 41.96 41.52 1mfn s TYR 121 CO 0.40 -1.02 -0.23 0.71 -2.51 0.00 0.00 175.55 172.89 1mfn s TYR 122 N -2.75 2.25 -0.69 -3.49 1.51 -1.06 0.21 117.35 113.32 1mfn s TYR 122 Ca 0.16 -0.37 -0.03 0.00 -1.01 0.00 0.00 57.07 55.83 1mfn s TYR 122 Cb -0.03 -1.11 0.17 0.00 -0.11 0.00 0.00 41.96 40.89 1mfn s TYR 122 CO 0.05 0.49 0.52 1.03 -1.11 0.00 0.00 175.55 176.53 1mfn s ARG 123 N -2.71 2.73 0.55 -0.62 1.81 0.37 0.26 118.95 121.33 1mfn s ARG 123 Ca 0.21 -2.71 -0.08 0.00 -1.72 0.00 0.00 55.73 51.43 1mfn s ARG 123 Cb -0.08 -3.78 -0.04 0.00 -0.45 0.00 0.00 34.95 30.61 1mfn s ARG 123 CO 0.10 -1.20 0.90 0.42 -0.68 0.00 0.00 175.30 174.84 1mfn s ILE 124 N -0.37 4.76 0.01 1.52 1.01 -0.32 0.76 121.20 128.57 1mfn s ILE 124 Ca 0.19 0.48 -0.08 0.00 0.00 0.00 0.00 60.65 61.24 1mfn s ILE 124 Cb -0.17 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.45 1mfn s ILE 124 CO -0.05 -0.96 0.16 0.42 0.00 0.00 0.00 174.94 174.50 1mfn s THR 125 N -2.94 0.09 0.10 2.92 -4.23 0.22 0.16 115.64 111.96 1mfn s THR 125 Ca 0.51 -0.72 -0.22 0.00 -1.18 0.00 0.00 61.69 60.08 1mfn s THR 125 Cb -0.11 -0.53 -0.07 0.00 1.34 0.00 0.00 72.50 73.13 1mfn s THR 125 CO 0.49 -0.40 0.65 -0.31 -0.54 0.00 0.00 174.62 174.51 1mfn s TYR 126 N -1.58 3.84 -0.40 3.99 1.51 0.73 -2.55 117.35 122.90 1mfn s TYR 126 Ca -0.13 1.41 -0.10 0.00 -1.01 0.00 0.00 57.07 57.24 1mfn s TYR 126 Cb -0.06 -2.60 0.05 0.00 -0.11 0.00 0.00 41.96 39.24 1mfn s TYR 126 CO 0.01 0.55 0.23 0.20 -1.11 0.00 0.00 175.55 175.43 1mfn s GLY 127 N -1.07 1.94 -0.81 0.71 0.00 0.58 -2.34 107.32 106.32 1mfn s GLY 127 Ca 0.32 -1.94 -0.06 0.00 0.00 0.00 0.00 44.72 43.04 1mfn s GLY 127 CO 0.22 0.91 0.70 -0.54 0.00 0.00 0.00 173.10 174.38 1mfn s GLU 128 N 1.48 3.22 0.38 2.90 2.02 -1.16 0.10 118.70 127.64 1mfn s GLU 128 Ca 0.02 -2.84 -0.28 0.00 0.02 0.00 0.00 54.97 51.90 1mfn s GLU 128 Cb -0.21 -4.06 -0.10 0.00 0.10 0.00 0.00 34.13 29.86 1mfn s GLU 128 CO 0.04 -1.24 1.40 0.95 0.02 0.00 0.00 175.26 176.43 1mfn s THR 129 N -0.56 2.33 0.00 3.63 -4.23 -1.08 -4.06 115.64 111.68 1mfn s THR 129 Ca 0.22 0.33 0.00 0.00 -1.18 0.00 0.00 61.69 61.06 1mfn s THR 129 Cb -0.13 -3.20 0.00 0.00 1.34 0.00 0.00 72.50 70.51 1mfn s THR 129 CO -0.08 0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 1mfn n GLY 130 N 0.60 -2.03 2.59 3.99 0.00 -1.26 -4.55 105.19 104.53 1mfn n GLY 130 Ca 0.02 0.76 -0.12 0.00 0.00 0.00 0.00 46.02 46.67 1mfn n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mfn n GLY 131 N 0.00 1.14 0.00 -0.02 0.00 -1.26 -4.90 105.19 100.15 1mfn n GLY 131 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1mfn n GLY 131 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mfn n ASN 132 N 0.94 0.00 -2.88 1.61 5.03 -1.26 -4.98 115.26 113.72 1mfn n ASN 132 Ca 0.12 0.00 -0.12 0.00 0.87 0.00 0.00 54.58 55.45 1mfn n ASN 132 Cb 0.65 0.00 0.06 0.00 -1.02 0.00 0.00 39.78 39.47 1mfn n ASN 132 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1mfn n SER 133 N 0.00 -4.34 -4.65 6.41 7.64 -1.26 -4.94 113.62 112.47 1mfn n SER 133 Ca 0.00 -0.53 -0.43 0.00 1.01 0.00 0.00 58.87 58.92 1mfn n SER 133 Cb 0.00 -4.16 -0.02 0.00 -1.01 0.00 0.00 64.21 59.02 1mfn n SER 133 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1mfn s PRO 134 N -4.44 4.16 -0.03 1.43 0.04 -1.26 -4.93 135.00 129.98 1mfn s PRO 134 Ca 0.23 1.39 0.04 0.00 0.04 0.00 0.00 61.00 62.69 1mfn s PRO 134 Cb -0.03 -3.74 -0.03 0.00 0.04 0.00 0.00 34.50 30.74 1mfn s PRO 134 CO 0.57 -0.79 -0.12 0.14 0.04 0.00 0.00 177.00 176.85 1mfn s VAL 135 N 3.57 3.28 -0.49 -0.36 -7.23 -1.26 -3.00 120.40 114.91 1mfn s VAL 135 Ca 0.50 -0.76 -0.07 0.00 -1.81 0.00 0.00 61.98 59.84 1mfn s VAL 135 Cb -0.17 -2.34 0.13 0.00 0.56 0.00 0.00 36.38 34.56 1mfn s VAL 135 CO 0.13 0.51 0.34 -1.10 -0.31 0.00 0.00 175.10 174.68 1mfn s GLN 136 N -1.00 2.43 -0.03 4.82 -0.21 -0.99 -4.78 119.66 119.89 1mfn s GLN 136 Ca 0.13 -1.90 -0.30 0.00 0.02 0.00 0.00 55.36 53.32 1mfn s GLN 136 Cb -0.11 -3.85 -0.03 0.00 1.00 0.00 0.00 33.01 30.03 1mfn s GLN 136 CO 0.03 -1.17 1.02 -2.00 -2.12 0.00 0.00 175.29 171.04 1mfn s GLU 137 N 1.10 4.49 -0.01 2.91 -6.30 -1.26 -0.19 118.70 119.44 1mfn s GLU 137 Ca 0.08 1.45 0.05 0.00 -2.50 0.00 0.00 54.97 54.05 1mfn s GLU 137 Cb -0.24 -3.49 -0.01 0.00 0.00 0.00 0.00 34.13 30.39 1mfn s GLU 137 CO -0.02 -0.17 -0.15 -0.59 0.02 0.00 0.00 175.26 174.34 1mfn s PHE 138 N 1.42 1.39 0.57 5.30 -0.12 0.42 -4.92 117.98 122.03 1mfn s PHE 138 Ca 0.51 -0.26 -0.17 0.00 -0.05 0.00 0.00 56.93 56.96 1mfn s PHE 138 Cb -0.21 -0.89 -0.05 0.00 -0.63 0.00 0.00 43.02 41.24 1mfn s PHE 138 CO 0.24 -0.02 1.05 0.95 -0.05 0.00 0.00 175.22 177.39 1mfn s THR 139 N -0.37 3.81 0.02 -4.49 -4.23 -1.26 -1.17 115.64 107.95 1mfn s THR 139 Ca 0.06 0.92 0.08 0.00 -1.18 0.00 0.00 61.69 61.57 1mfn s THR 139 Cb -0.06 -3.40 -0.03 0.00 1.34 0.00 0.00 72.50 70.35 1mfn s THR 139 CO -0.01 -0.44 -0.22 -0.69 -0.54 0.00 0.00 174.62 172.72 1mfn s VAL 140 N -2.33 2.44 -0.20 2.29 1.01 0.14 -4.84 120.40 118.91 1mfn s VAL 140 Ca 0.64 -1.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.15 1mfn s VAL 140 Cb -0.16 -1.96 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 1mfn s VAL 140 CO 0.33 0.43 1.19 -2.16 0.00 0.00 0.00 175.10 174.89 1mfn s PRO 141 N -1.11 4.22 0.48 2.72 0.04 -1.26 -2.57 135.00 137.51 1mfn s PRO 141 Ca 0.12 1.54 0.25 0.00 0.04 0.00 0.00 61.00 62.95 1mfn s PRO 141 Cb -0.10 -3.73 1.35 0.00 0.04 0.00 0.00 34.50 32.06 1mfn s PRO 141 CO 0.02 -0.71 1.73 0.78 0.04 0.00 0.00 177.00 178.86 1mfn h GLY 142 N 9.72 0.00 -0.75 0.56 0.00 -1.88 0.29 103.07 111.01 1mfn h GLY 142 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1mfn h GLY 142 CO 0.98 0.00 0.00 -1.26 0.00 0.00 0.00 176.54 176.26 1mfn n SER 143 N -2.50 1.03 -3.72 0.19 2.88 -1.26 -4.70 113.62 105.55 1mfn n SER 143 Ca -0.02 -2.04 -0.19 0.00 -1.33 0.00 0.00 58.87 55.29 1mfn n SER 143 Cb 0.23 -0.20 -0.17 0.00 -0.75 0.00 0.00 64.21 63.32 1mfn n SER 143 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1mfn s LYS 144 N -1.70 0.07 0.00 -1.46 -0.14 0.10 -4.99 119.74 111.62 1mfn s LYS 144 Ca 0.10 0.28 0.29 0.00 -1.36 0.00 0.00 55.97 55.28 1mfn s LYS 144 Cb 0.06 -0.54 1.37 0.00 -1.68 0.00 0.00 37.83 37.04 1mfn s LYS 144 CO 0.06 -0.28 1.95 -1.13 -0.76 0.00 0.00 175.35 175.19 1mfn n SER 145 N 4.99 0.22 -4.33 2.83 3.41 -1.26 -4.76 113.62 114.72 1mfn n SER 145 Ca -0.10 -0.34 -0.22 0.00 -0.26 0.00 0.00 58.87 57.95 1mfn n SER 145 Cb 0.50 -0.18 -0.11 0.00 -0.26 0.00 0.00 64.21 64.16 1mfn n SER 145 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1mfn s THR 146 N -2.54 1.82 0.35 6.66 -4.23 -1.26 -2.26 115.64 114.17 1mfn s THR 146 Ca 0.28 -1.84 0.06 0.00 -1.18 0.00 0.00 61.69 59.01 1mfn s THR 146 Cb 0.20 -1.79 -0.07 0.00 1.34 0.00 0.00 72.50 72.18 1mfn s THR 146 CO 0.47 -0.25 0.00 0.00 -0.54 0.00 0.00 174.62 174.30 1mfn s ALA 147 N -1.85 2.70 -0.27 3.99 0.00 -0.24 -4.95 121.76 121.14 1mfn s ALA 147 Ca 0.14 -2.12 -0.01 0.00 0.00 0.00 0.00 51.96 49.97 1mfn s ALA 147 Cb -0.07 0.33 0.08 0.00 0.00 0.00 0.00 23.12 23.47 1mfn s ALA 147 CO 0.06 -0.16 0.05 0.99 0.00 0.00 0.00 175.76 176.71 1mfn s THR 148 N -2.97 0.99 -0.90 0.00 2.01 -1.26 -1.63 115.64 111.88 1mfn s THR 148 Ca 0.34 -1.22 -0.23 0.00 0.31 0.00 0.00 61.69 60.89 1mfn s THR 148 Cb 0.08 -1.60 0.06 0.00 0.01 0.00 0.00 72.50 71.05 1mfn s THR 148 CO 0.16 -0.46 1.30 -0.63 -0.69 0.00 0.00 174.62 174.30 1mfn s ILE 149 N 1.59 4.06 0.49 1.82 1.09 -0.91 -4.92 121.20 124.43 1mfn s ILE 149 Ca 0.05 -0.60 0.09 0.00 -1.10 0.00 0.00 60.65 59.08 1mfn s ILE 149 Cb -0.18 -4.94 0.05 0.00 -1.06 0.00 0.00 42.46 36.33 1mfn s ILE 149 CO -0.17 -1.79 0.67 0.20 -0.10 0.00 0.00 174.94 173.75 1mfn s ASN 150 N 4.32 5.37 -0.96 3.58 -0.87 -1.26 -2.07 114.94 123.04 1mfn s ASN 150 Ca 0.39 -0.64 -0.04 0.00 -1.57 0.00 0.00 52.86 51.00 1mfn s ASN 150 Cb -0.04 -0.20 0.00 0.00 -0.02 0.00 0.00 41.25 40.99 1mfn s ASN 150 CO -0.02 -1.03 0.54 -3.20 -2.57 0.00 0.00 177.10 170.81 1mfn n ASN 151 N -2.03 -4.65 -4.95 -1.22 2.85 -0.84 -4.93 115.26 99.49 1mfn n ASN 151 Ca 0.11 -0.25 -0.23 0.00 -0.11 0.00 0.00 54.58 54.11 1mfn n ASN 151 Cb 0.60 -3.42 -0.01 0.00 1.24 0.00 0.00 39.78 38.20 1mfn n ASN 151 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 1mfn s ILE 152 N -3.05 4.71 -0.43 -1.44 2.07 -0.56 -5.04 121.20 117.46 1mfn s ILE 152 Ca 0.27 -0.60 -0.16 0.00 -1.41 0.00 0.00 60.65 58.74 1mfn s ILE 152 Cb -0.12 -3.71 0.03 0.00 0.13 0.00 0.00 42.46 38.80 1mfn s ILE 152 CO 0.33 -0.42 0.40 -0.54 -1.91 0.00 0.00 174.94 172.79 1mfn s LYS 153 N -4.32 3.03 -1.26 3.50 -0.14 -1.26 -4.71 119.74 114.58 1mfn s LYS 153 Ca 0.42 -0.96 -0.18 0.00 -1.36 0.00 0.00 55.97 53.89 1mfn s LYS 153 Cb -0.10 -4.01 0.01 0.00 -1.68 0.00 0.00 37.83 32.05 1mfn s LYS 153 CO 0.35 -0.87 1.94 -0.35 -0.76 0.00 0.00 175.35 175.66 1mfn n PRO 154 N 5.42 2.63 0.00 -1.68 -0.04 -1.26 -4.21 135.00 135.87 1mfn n PRO 154 Ca -0.09 -2.77 0.00 0.00 -0.04 0.00 0.00 63.50 60.60 1mfn n PRO 154 Cb 0.46 -3.40 0.00 0.00 -0.04 0.00 0.00 33.50 30.52 1mfn n PRO 154 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mfn n GLY 155 N 4.96 -1.68 0.00 0.55 0.00 -1.08 -5.03 105.19 102.91 1mfn n GLY 155 Ca 0.49 0.68 0.00 0.00 0.00 0.00 0.00 46.02 47.19 1mfn n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mfn n ALA 156 N 0.00 0.00 -1.00 4.61 0.00 -1.26 -5.01 120.51 117.85 1mfn n ALA 156 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1mfn n ALA 156 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 1mfn n ALA 156 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1mfn n ASP 157 N 0.00 -3.59 -2.64 0.00 2.03 -1.26 -2.24 116.55 108.84 1mfn n ASP 157 Ca 0.00 0.35 -0.14 0.00 0.52 0.00 0.00 54.79 55.52 1mfn n ASP 157 Cb 0.00 -1.01 -0.06 0.00 -0.72 0.00 0.00 41.12 39.34 1mfn n ASP 157 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1mfn n TYR 158 N -2.78 -0.63 -3.40 -0.67 4.02 0.54 -2.62 117.16 111.62 1mfn n TYR 158 Ca 0.04 -2.05 -0.01 0.00 -0.01 0.00 0.00 57.90 55.87 1mfn n TYR 158 Cb 0.53 0.23 -0.04 0.00 -0.02 0.00 0.00 39.34 40.04 1mfn n TYR 158 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1mfn s THR 159 N -2.98 -0.90 -0.20 -0.72 2.01 0.12 -2.42 115.64 110.54 1mfn s THR 159 Ca 0.29 0.01 -0.13 0.00 0.31 0.00 0.00 61.69 62.17 1mfn s THR 159 Cb 0.01 -0.93 -0.05 0.00 0.01 0.00 0.00 72.50 71.54 1mfn s THR 159 CO 0.21 -0.01 0.28 -0.63 -0.69 0.00 0.00 174.62 173.77 1mfn s ILE 160 N 2.80 5.29 0.17 1.82 -1.09 0.76 0.21 121.20 131.17 1mfn s ILE 160 Ca 0.08 0.46 -0.01 0.00 -2.23 0.00 0.00 60.65 58.96 1mfn s ILE 160 Cb -0.14 -3.61 -0.04 0.00 -1.58 0.00 0.00 42.46 37.09 1mfn s ILE 160 CO -0.19 0.33 0.08 -0.89 -1.23 0.00 0.00 174.94 173.04 1mfn s THR 161 N 0.96 0.17 -0.08 2.92 2.01 -1.06 0.11 115.64 120.67 1mfn s THR 161 Ca 0.14 -1.96 -0.31 0.00 0.31 0.00 0.00 61.69 59.88 1mfn s THR 161 Cb -0.14 -2.26 0.09 0.00 0.01 0.00 0.00 72.50 70.21 1mfn s THR 161 CO 0.05 -0.27 0.78 -1.48 -0.69 0.00 0.00 174.62 173.01 1mfn s LEU 162 N -3.12 -0.56 -0.34 4.42 0.05 -0.74 0.73 118.68 119.12 1mfn s LEU 162 Ca 0.30 0.59 0.03 0.00 0.05 0.00 0.00 54.13 55.11 1mfn s LEU 162 Cb 0.07 2.31 0.10 0.00 -2.05 0.00 0.00 46.19 46.63 1mfn s LEU 162 CO 0.06 -0.53 0.05 -0.31 -0.55 0.00 0.00 176.35 175.08 1mfn s TYR 163 N -1.24 3.52 0.14 3.48 1.51 0.23 -2.32 117.35 122.67 1mfn s TYR 163 Ca -0.08 -2.85 -0.34 0.00 -1.01 0.00 0.00 57.07 52.79 1mfn s TYR 163 Cb -0.00 -2.78 -0.14 0.00 -0.11 0.00 0.00 41.96 38.93 1mfn s TYR 163 CO 0.07 -0.94 1.59 0.00 -1.11 0.00 0.00 175.55 175.16 1mfn n ALA 164 N 4.32 1.26 -2.77 3.71 0.00 -1.26 -0.48 120.51 125.29 1mfn n ALA 164 Ca 0.03 0.44 -0.27 0.00 0.00 0.00 0.00 53.44 53.63 1mfn n ALA 164 Cb 0.42 -2.35 -0.06 0.00 0.00 0.00 0.00 19.45 17.46 1mfn n ALA 164 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1mfn s VAL 165 N 1.13 4.40 0.00 0.00 1.01 0.56 -2.81 120.40 124.69 1mfn s VAL 165 Ca 0.80 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1mfn s VAL 165 Cb -0.69 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1mfn s VAL 165 CO 0.39 -0.05 0.00 0.35 0.00 0.00 0.00 175.10 175.79 1mfn n THR 166 N -0.11 0.00 0.00 3.92 -2.24 -0.77 -1.94 114.28 113.15 1mfn n THR 166 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1mfn n THR 166 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 1mfn n THR 166 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mfn n GLY 167 N 0.24 -3.45 0.00 3.38 0.00 -1.21 -4.53 105.19 99.62 1mfn n GLY 167 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1mfn n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mfn n ARG 168 N 0.00 0.52 0.00 1.61 5.12 -1.26 -4.73 116.66 117.91 1mfn n ARG 168 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1mfn n ARG 168 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1mfn n ARG 168 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1mfn n GLY 169 N 3.58 0.00 0.04 -0.13 0.00 -1.26 -4.33 105.19 103.08 1mfn n GLY 169 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1mfn n GLY 169 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mfn n ASP 170 N -2.06 0.23 -2.66 1.61 2.03 -1.26 -4.28 116.55 110.16 1mfn n ASP 170 Ca 0.00 0.54 -0.03 0.00 0.52 0.00 0.00 54.79 55.82 1mfn n ASP 170 Cb 0.05 -0.60 0.11 0.00 -0.72 0.00 0.00 41.12 39.97 1mfn n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1mfn n SER 171 N -1.74 -1.23 -2.31 1.67 7.64 -1.26 -5.16 113.62 111.23 1mfn n SER 171 Ca 0.05 -1.87 -0.04 0.00 1.01 0.00 0.00 58.87 58.01 1mfn n SER 171 Cb 0.27 1.16 0.03 0.00 -1.01 0.00 0.00 64.21 64.66 1mfn n SER 171 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1mfn n PRO 172 N 0.46 -0.28 -4.54 1.43 -0.04 -1.26 -4.51 135.00 126.27 1mfn n PRO 172 Ca -0.06 -0.30 -0.33 0.00 -0.04 0.00 0.00 63.50 62.77 1mfn n PRO 172 Cb 0.76 -0.20 -0.13 0.00 -0.04 0.00 0.00 33.50 33.88 1mfn n PRO 172 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mfn s ALA 173 N -3.92 2.82 -0.09 0.55 0.00 -1.26 -4.76 121.76 115.10 1mfn s ALA 173 Ca 0.11 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.24 1mfn s ALA 173 Cb -0.00 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.70 1mfn s ALA 173 CO 0.08 0.19 -0.22 -1.54 0.00 0.00 0.00 175.76 174.27 1mfn s SER 174 N 0.43 2.85 0.66 0.00 1.04 -1.26 -1.84 113.70 115.58 1mfn s SER 174 Ca -0.07 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 55.86 1mfn s SER 174 Cb -0.15 -1.22 0.00 0.00 0.10 0.00 0.00 66.02 64.75 1mfn s SER 174 CO 0.04 0.15 0.00 -1.54 0.98 0.00 0.00 173.24 172.87 1mfn n SER 175 N 3.48 -1.32 -4.77 7.02 3.41 -1.12 -4.84 113.62 115.48 1mfn n SER 175 Ca -0.19 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.03 1mfn n SER 175 Cb 0.53 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.47 1mfn n SER 175 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1mfn s LYS 176 N -1.97 3.90 0.10 4.33 1.02 -1.26 -4.69 119.74 121.16 1mfn s LYS 176 Ca 0.00 1.95 -0.30 0.00 0.02 0.00 0.00 55.97 57.64 1mfn s LYS 176 Cb 0.00 -2.62 -0.06 0.00 -0.52 0.00 0.00 37.83 34.64 1mfn s LYS 176 CO 0.00 -0.48 1.08 -1.25 -0.92 0.00 0.00 175.35 173.78 1mfn s PRO 177 N -2.40 4.56 -0.16 -1.68 0.04 -1.26 -4.72 135.00 129.37 1mfn s PRO 177 Ca 0.59 1.63 -0.06 0.00 0.04 0.00 0.00 61.00 63.21 1mfn s PRO 177 Cb -0.33 -3.35 -0.03 0.00 0.04 0.00 0.00 34.50 30.82 1mfn s PRO 177 CO 0.42 -0.03 0.02 0.08 0.04 0.00 0.00 177.00 177.53 1mfn s VAL 178 N 0.42 4.41 0.06 -0.36 1.01 -0.98 -4.91 120.40 120.04 1mfn s VAL 178 Ca 0.52 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 62.38 1mfn s VAL 178 Cb -0.27 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 1mfn s VAL 178 CO 0.31 0.48 -0.14 -0.94 0.00 0.00 0.00 175.10 174.81 1mfn s SER 179 N 0.27 1.70 0.08 3.32 1.04 -1.26 -1.80 113.70 117.06 1mfn s SER 179 Ca 0.01 -0.54 0.05 0.00 0.48 0.00 0.00 55.95 55.94 1mfn s SER 179 Cb -0.13 -0.08 -0.03 0.00 0.10 0.00 0.00 66.02 65.88 1mfn s SER 179 CO 0.01 -0.02 -0.13 0.27 0.98 0.00 0.00 173.24 174.36 1mfn s ILE 180 N -1.06 1.05 0.44 -1.02 -4.36 0.30 -4.96 121.20 111.59 1mfn s ILE 180 Ca 0.00 -1.42 -0.09 0.00 -0.26 0.00 0.00 60.65 58.88 1mfn s ILE 180 Cb -0.09 -1.15 -0.05 0.00 1.25 0.00 0.00 42.46 42.41 1mfn s ILE 180 CO 0.02 -0.34 0.79 0.20 0.24 0.00 0.00 174.94 175.85 1mfn s ASN 181 N -1.98 6.43 -0.29 4.36 -0.87 -1.26 -0.17 114.94 121.16 1mfn s ASN 181 Ca 0.00 1.10 -0.13 0.00 -1.57 0.00 0.00 52.86 52.26 1mfn s ASN 181 Cb -0.08 -2.31 0.12 0.00 -0.02 0.00 0.00 41.25 38.96 1mfn s ASN 181 CO 0.02 -0.48 0.71 -0.47 -2.57 0.00 0.00 177.10 174.30 1mfn s TYR 182 N -2.53 -1.17 -0.12 2.20 6.14 -1.02 -4.76 117.35 116.09 1mfn s TYR 182 Ca 0.50 2.13 -0.17 0.00 0.64 0.00 0.00 57.07 60.17 1mfn s TYR 182 Cb -0.10 0.70 -0.04 0.00 0.42 0.00 0.00 41.96 42.93 1mfn s TYR 182 CO 0.37 -0.58 0.43 0.15 0.64 0.00 0.00 175.55 176.56 1mfn s LYS 183 N 2.37 4.29 0.00 4.97 3.01 -1.26 0.20 119.74 133.33 1mfn s LYS 183 Ca -0.07 0.37 0.21 0.00 -1.01 0.00 0.00 55.97 55.47 1mfn s LYS 183 Cb -0.09 -3.42 0.17 0.00 -1.01 0.00 0.00 37.83 33.48 1mfn s LYS 183 CO -0.19 0.22 1.17 0.25 0.51 0.00 0.00 175.35 177.31