#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2mfn s LEU 2 N 0.00 2.03 0.15 0.99 1.43 -1.26 -5.07 118.68 116.94 2mfn s LEU 2 Ca 0.00 -0.33 -0.30 0.00 -1.03 0.00 0.00 54.13 52.47 2mfn s LEU 2 Cb 0.00 -0.94 -0.07 0.00 0.03 0.00 0.00 46.19 45.21 2mfn s LEU 2 CO 0.00 0.22 0.97 -1.81 0.23 0.00 0.00 176.35 175.95 2mfn s ASP 3 N -0.39 7.52 0.14 2.29 1.01 -1.26 -4.46 116.67 121.53 2mfn s ASP 3 Ca 0.06 1.85 -0.24 0.00 0.71 0.00 0.00 52.55 54.93 2mfn s ASP 3 Cb -0.07 -2.59 -0.08 0.00 1.01 0.00 0.00 42.92 41.18 2mfn s ASP 3 CO -0.00 -0.02 0.73 -0.55 0.21 0.00 0.00 175.17 175.53 2mfn s SER 4 N -0.29 7.32 0.45 0.27 0.15 -1.26 -4.71 113.70 115.63 2mfn s SER 4 Ca 0.46 1.56 -0.25 0.00 0.70 0.00 0.00 55.95 58.42 2mfn s SER 4 Cb -0.24 -2.47 -0.09 0.00 -1.71 0.00 0.00 66.02 61.51 2mfn s SER 4 CO 0.31 0.22 1.31 -2.65 1.20 0.00 0.00 173.24 173.63 2mfn n PRO 5 N 1.63 1.95 0.00 5.44 -0.01 -1.26 -4.84 135.00 137.90 2mfn n PRO 5 Ca -0.07 0.70 0.00 0.00 -0.01 0.00 0.00 63.50 64.12 2mfn n PRO 5 Cb 0.49 -2.46 0.00 0.00 -0.01 0.00 0.00 33.50 31.52 2mfn n PRO 5 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 175.50 175.74 2mfn n THR 6 N -0.36 0.00 -1.32 3.45 -2.24 -1.24 -4.84 114.28 107.74 2mfn n THR 6 Ca 0.07 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.74 2mfn n THR 6 Cb 0.41 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.59 2mfn n THR 6 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2mfn n GLY 7 N 0.00 1.17 3.65 3.38 0.00 -1.26 0.10 105.19 112.24 2mfn n GLY 7 Ca 0.00 -0.55 -0.49 0.00 0.00 0.00 0.00 46.02 44.98 2mfn n GLY 7 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2mfn n PHE 8 N -2.71 2.06 -3.78 1.61 -0.00 -1.26 -4.38 117.46 109.00 2mfn n PHE 8 Ca -0.11 0.34 -0.13 0.00 -0.00 0.00 0.00 57.45 57.56 2mfn n PHE 8 Cb 0.35 -2.50 -0.11 0.00 -0.00 0.00 0.00 39.48 37.22 2mfn n PHE 8 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 2mfn s ASP 9 N 1.60 -0.27 0.03 -2.13 -1.08 0.44 -4.98 116.67 110.28 2mfn s ASP 9 Ca 0.85 0.50 0.04 0.00 -0.52 0.00 0.00 52.55 53.42 2mfn s ASP 9 Cb -0.79 0.54 -0.04 0.00 -1.46 0.00 0.00 42.92 41.17 2mfn s ASP 9 CO 0.45 -0.13 -0.07 -0.94 0.52 0.00 0.00 175.17 174.99 2mfn s SER 10 N -0.02 4.56 0.10 -0.34 1.04 -1.26 -0.42 113.70 117.35 2mfn s SER 10 Ca -0.02 -0.21 -0.13 0.00 0.48 0.00 0.00 55.95 56.07 2mfn s SER 10 Cb -0.02 -1.01 0.05 0.00 0.10 0.00 0.00 66.02 65.13 2mfn s SER 10 CO 0.01 0.25 0.64 -1.54 0.98 0.00 0.00 173.24 173.57 2mfn n SER 11 N 1.30 -1.01 -3.99 7.02 3.41 -1.05 -4.95 113.62 114.35 2mfn n SER 11 Ca -0.15 -1.50 -0.29 0.00 -0.26 0.00 0.00 58.87 56.67 2mfn n SER 11 Cb 0.52 1.63 -0.00 0.00 -0.26 0.00 0.00 64.21 66.10 2mfn n SER 11 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2mfn n ASP 12 N -0.98 -2.57 -4.71 4.04 8.00 -1.26 -1.97 116.55 117.10 2mfn n ASP 12 Ca -0.01 -0.92 -0.42 0.00 0.71 0.00 0.00 54.79 54.15 2mfn n ASP 12 Cb 0.35 -3.33 -0.03 0.00 -0.02 0.00 0.00 41.12 38.09 2mfn n ASP 12 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2mfn s ILE 13 N -3.54 4.87 0.30 0.53 -1.09 -1.26 -1.29 121.20 119.73 2mfn s ILE 13 Ca 0.41 2.06 0.11 0.00 -2.23 0.00 0.00 60.65 60.99 2mfn s ILE 13 Cb -0.21 -4.32 -0.06 0.00 -1.58 0.00 0.00 42.46 36.29 2mfn s ILE 13 CO 0.87 0.16 -0.16 0.42 -1.23 0.00 0.00 174.94 175.01 2mfn s THR 14 N 1.01 2.36 0.06 2.92 -4.23 1.66 -4.83 115.64 114.59 2mfn s THR 14 Ca 0.52 -2.32 -0.38 0.00 -1.18 0.00 0.00 61.69 58.33 2mfn s THR 14 Cb -0.21 -2.44 -0.21 0.00 1.34 0.00 0.00 72.50 70.99 2mfn s THR 14 CO 0.28 -0.32 1.56 0.00 -0.54 0.00 0.00 174.62 175.59 2mfn h ALA 15 N 2.18 -1.36 -0.02 3.99 0.00 -1.85 -2.97 119.26 119.23 2mfn h ALA 15 Ca -0.41 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2mfn h ALA 15 Cb 1.25 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2mfn h ALA 15 CO 0.64 -1.26 0.00 0.27 0.00 0.00 0.00 179.25 178.90 2mfn n ASN 16 N -5.67 1.60 -3.77 0.00 6.94 -1.26 -3.57 115.26 109.53 2mfn n ASN 16 Ca -0.17 -1.54 -0.10 0.00 -0.02 0.00 0.00 54.58 52.76 2mfn n ASN 16 Cb 0.54 -0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.89 2mfn n ASN 16 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2mfn s SER 17 N -1.99 -0.04 -0.15 0.53 1.04 -1.12 -1.28 113.70 110.69 2mfn s SER 17 Ca 0.37 -0.44 -0.30 0.00 0.48 0.00 0.00 55.95 56.07 2mfn s SER 17 Cb 0.21 0.38 0.11 0.00 0.10 0.00 0.00 66.02 66.82 2mfn s SER 17 CO 0.33 -0.73 0.89 0.72 0.98 0.00 0.00 173.24 175.43 2mfn s PHE 18 N -3.50 -0.49 0.11 5.02 -0.71 -0.93 0.47 117.98 117.93 2mfn s PHE 18 Ca 0.02 0.92 -0.03 0.00 -1.04 0.00 0.00 56.93 56.79 2mfn s PHE 18 Cb 0.02 0.42 -0.05 0.00 -1.21 0.00 0.00 43.02 42.20 2mfn s PHE 18 CO -0.09 -0.41 0.31 0.99 -1.34 0.00 0.00 175.22 174.67 2mfn s THR 19 N -0.90 5.25 -0.01 -4.49 2.01 -0.41 -1.96 115.64 115.14 2mfn s THR 19 Ca -0.04 -0.12 0.07 0.00 0.31 0.00 0.00 61.69 61.91 2mfn s THR 19 Cb -0.01 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 68.86 2mfn s THR 19 CO 0.03 0.08 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.13 2mfn s VAL 20 N -1.59 1.81 0.04 3.82 1.01 -0.94 -2.54 120.40 122.00 2mfn s VAL 20 Ca 0.38 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 61.41 2mfn s VAL 20 Cb -0.12 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 2mfn s VAL 20 CO 0.26 0.49 -0.14 -1.00 0.00 0.00 0.00 175.10 174.70 2mfn s HIS 21 N -0.56 1.25 0.08 5.22 3.76 0.44 -2.32 115.29 123.16 2mfn s HIS 21 Ca 0.09 -0.35 -0.12 0.00 -0.15 0.00 0.00 55.06 54.52 2mfn s HIS 21 Cb -0.09 -0.74 0.01 0.00 1.11 0.00 0.00 32.58 32.87 2mfn s HIS 21 CO -0.01 0.04 0.28 1.67 -0.85 0.00 0.00 174.74 175.87 2mfn s TRP 22 N -0.84 -0.02 0.41 1.40 -2.14 -0.93 -0.42 118.94 116.40 2mfn s TRP 22 Ca 0.02 -0.29 -0.04 0.00 2.66 0.00 0.00 56.10 58.45 2mfn s TRP 22 Cb -0.08 0.07 -0.04 0.00 -3.10 0.00 0.00 33.47 30.33 2mfn s TRP 22 CO 0.01 -0.57 0.68 0.08 -2.66 0.00 0.00 176.95 174.49 2mfn s VAL 23 N -3.44 4.98 -0.06 -0.66 1.01 0.28 -4.80 120.40 117.71 2mfn s VAL 23 Ca 0.01 0.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.86 2mfn s VAL 23 Cb 0.02 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 2mfn s VAL 23 CO -0.09 -0.67 0.37 0.00 0.00 0.00 0.00 175.10 174.71 2mfn s ALA 24 N -2.50 3.66 1.36 5.51 0.00 -1.26 -3.67 121.76 124.86 2mfn s ALA 24 Ca 0.45 -0.30 -0.20 0.00 0.00 0.00 0.00 51.96 51.91 2mfn s ALA 24 Cb -0.10 -2.39 0.34 0.00 0.00 0.00 0.00 23.12 20.97 2mfn s ALA 24 CO 0.39 0.35 0.87 -0.35 0.00 0.00 0.00 175.76 177.01 2mfn n PRO 25 N 2.45 -3.94 -0.33 0.00 -0.04 -1.26 -4.93 135.00 126.95 2mfn n PRO 25 Ca -0.13 -1.16 0.10 0.00 -0.04 0.00 0.00 63.50 62.28 2mfn n PRO 25 Cb 0.52 -1.97 0.29 0.00 -0.04 0.00 0.00 33.50 32.30 2mfn n PRO 25 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2mfn n ARG 26 N -5.27 2.76 -4.25 0.54 1.74 -1.26 -4.96 116.66 105.97 2mfn n ARG 26 Ca 0.09 -2.54 -0.25 0.00 -0.77 0.00 0.00 57.85 54.39 2mfn n ARG 26 Cb 0.57 -1.51 -0.08 0.00 -1.02 0.00 0.00 32.46 30.43 2mfn n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2mfn s ALA 27 N -1.00 3.17 0.02 7.54 0.00 -1.26 -5.06 121.76 125.16 2mfn s ALA 27 Ca 0.44 -1.51 -0.32 0.00 0.00 0.00 0.00 51.96 50.56 2mfn s ALA 27 Cb 0.23 -0.88 -0.11 0.00 0.00 0.00 0.00 23.12 22.36 2mfn s ALA 27 CO 0.30 0.37 1.87 -0.35 0.00 0.00 0.00 175.76 177.95 2mfn n PRO 28 N -0.49 2.51 -4.36 0.00 -0.04 -1.26 -4.99 135.00 126.37 2mfn n PRO 28 Ca -0.08 0.92 -0.18 0.00 -0.04 0.00 0.00 63.50 64.11 2mfn n PRO 28 Cb 0.57 -2.80 -0.10 0.00 -0.04 0.00 0.00 33.50 31.13 2mfn n PRO 28 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2mfn s ILE 29 N 3.61 1.14 -0.94 0.52 -4.36 -1.26 -4.71 121.20 115.20 2mfn s ILE 29 Ca 0.88 -2.04 0.14 0.00 -0.26 0.00 0.00 60.65 59.37 2mfn s ILE 29 Cb -0.57 -2.41 -0.10 0.00 1.25 0.00 0.00 42.46 40.64 2mfn s ILE 29 CO 0.45 -0.29 0.68 0.35 0.24 0.00 0.00 174.94 176.37 2mfn n THR 30 N -0.47 0.00 -0.09 8.37 -2.24 0.56 -4.92 114.28 115.49 2mfn n THR 30 Ca -0.05 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 2mfn n THR 30 Cb 0.64 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.94 2mfn n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2mfn n GLY 31 N 1.25 -0.00 3.27 3.38 0.00 -1.21 -4.36 105.19 107.50 2mfn n GLY 31 Ca 0.04 -1.78 -0.25 0.00 0.00 0.00 0.00 46.02 44.03 2mfn n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2mfn s TYR 32 N -1.35 1.78 -0.22 1.61 2.02 -1.18 -2.51 117.35 117.50 2mfn s TYR 32 Ca 0.00 -0.40 -0.09 0.00 -0.37 0.00 0.00 57.07 56.21 2mfn s TYR 32 Cb 0.00 -1.02 -0.04 0.00 -0.40 0.00 0.00 41.96 40.50 2mfn s TYR 32 CO 0.00 0.15 0.11 0.42 -1.57 0.00 0.00 175.55 174.66 2mfn s ILE 33 N -0.99 5.03 -0.30 2.71 -1.09 -0.08 -2.69 121.20 123.79 2mfn s ILE 33 Ca 0.07 0.06 -0.10 0.00 -2.23 0.00 0.00 60.65 58.45 2mfn s ILE 33 Cb -0.09 -3.32 -0.02 0.00 -1.58 0.00 0.00 42.46 37.46 2mfn s ILE 33 CO 0.03 0.39 0.15 -0.63 -1.23 0.00 0.00 174.94 173.65 2mfn s ILE 34 N 0.85 4.69 -0.10 2.92 -1.09 0.65 -1.67 121.20 127.45 2mfn s ILE 34 Ca 0.06 -0.30 0.03 0.00 -2.23 0.00 0.00 60.65 58.20 2mfn s ILE 34 Cb -0.13 -3.35 -0.01 0.00 -1.58 0.00 0.00 42.46 37.39 2mfn s ILE 34 CO 0.03 0.12 -0.19 -0.13 -1.23 0.00 0.00 174.94 173.54 2mfn s ARG 35 N 1.64 3.07 0.02 2.79 0.52 -0.75 0.19 118.95 126.43 2mfn s ARG 35 Ca 0.05 -0.79 -0.00 0.00 -0.52 0.00 0.00 55.73 54.47 2mfn s ARG 35 Cb -0.17 -2.42 -0.02 0.00 0.52 0.00 0.00 34.95 32.87 2mfn s ARG 35 CO 0.07 0.25 -0.03 -3.38 0.02 0.00 0.00 175.30 172.23 2mfn s HIS 36 N 0.20 0.26 -0.12 -0.53 -3.43 -1.02 -0.01 115.29 110.64 2mfn s HIS 36 Ca -0.11 -0.52 -0.30 0.00 -0.80 0.00 0.00 55.06 53.32 2mfn s HIS 36 Cb -0.16 -0.19 0.12 0.00 -1.43 0.00 0.00 32.58 30.93 2mfn s HIS 36 CO 0.06 -0.19 1.01 -3.38 -2.00 0.00 0.00 174.74 170.25 2mfn s HIS 37 N -1.45 -0.31 0.57 0.38 -3.43 0.84 -1.78 115.29 110.13 2mfn s HIS 37 Ca -0.16 0.38 -0.07 0.00 -0.80 0.00 0.00 55.06 54.41 2mfn s HIS 37 Cb -0.10 0.49 -0.01 0.00 -1.43 0.00 0.00 32.58 31.53 2mfn s HIS 37 CO -0.01 -0.37 0.90 0.00 -2.00 0.00 0.00 174.74 173.26 2mfn s ALA 38 N -1.98 3.26 0.25 -1.38 0.00 -1.26 0.12 121.76 120.77 2mfn s ALA 38 Ca 0.03 -0.52 -0.06 0.00 0.00 0.00 0.00 51.96 51.41 2mfn s ALA 38 Cb -0.01 -2.71 0.26 0.00 0.00 0.00 0.00 23.12 20.67 2mfn s ALA 38 CO -0.03 -0.69 1.93 0.93 0.00 0.00 0.00 175.76 177.90 2mfn h GLU 39 N -0.13 1.33 -0.80 0.00 5.08 -1.95 0.63 114.58 118.73 2mfn h GLU 39 Ca -0.46 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 57.79 2mfn h GLU 39 Cb 1.23 -0.30 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 2mfn h GLU 39 CO 0.61 0.88 0.05 0.72 -1.00 0.00 0.00 179.01 180.27 2mfn n HIS 40 N -4.38 1.20 -1.49 4.33 8.25 -1.26 -4.93 115.22 116.94 2mfn n HIS 40 Ca 0.12 -0.50 -0.29 0.00 -0.26 0.00 0.00 57.72 56.79 2mfn n HIS 40 Cb 0.01 -0.37 0.13 0.00 1.12 0.00 0.00 29.99 30.89 2mfn n HIS 40 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2mfn s SER 41 N -0.40 3.61 0.49 0.41 1.04 0.21 -5.00 113.70 114.07 2mfn s SER 41 Ca 0.30 1.07 -0.20 0.00 0.48 0.00 0.00 55.95 57.59 2mfn s SER 41 Cb 0.23 -1.69 -0.08 0.00 0.10 0.00 0.00 66.02 64.58 2mfn s SER 41 CO 0.08 -2.50 1.05 -0.69 0.98 0.00 0.00 173.24 172.16 2mfn s VAL 42 N -3.21 3.71 -0.78 5.02 1.01 -1.26 -4.81 120.40 120.09 2mfn s VAL 42 Ca 0.63 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.68 2mfn s VAL 42 Cb -0.15 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.80 2mfn s VAL 42 CO 0.54 -0.23 0.22 0.61 0.00 0.00 0.00 175.10 176.24 2mfn n GLY 43 N -0.20 -0.01 3.06 4.51 0.00 -1.26 -3.57 105.19 107.72 2mfn n GLY 43 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 2mfn n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2mfn s ARG 44 N -1.44 2.34 0.67 1.61 0.52 -1.26 -5.09 118.95 116.30 2mfn s ARG 44 Ca 0.00 -2.46 -0.16 0.00 -0.52 0.00 0.00 55.73 52.59 2mfn s ARG 44 Cb 0.00 -3.61 0.00 0.00 0.52 0.00 0.00 34.95 31.86 2mfn s ARG 44 CO 0.00 -1.14 1.19 -1.25 0.02 0.00 0.00 175.30 174.12 2mfn s PRO 45 N 0.04 2.55 0.54 3.54 0.05 -1.23 -4.98 135.00 135.51 2mfn s PRO 45 Ca 0.16 1.73 -0.18 0.00 0.05 0.00 0.00 61.00 62.76 2mfn s PRO 45 Cb -0.22 -1.89 -0.06 0.00 0.05 0.00 0.00 34.50 32.39 2mfn s PRO 45 CO -0.03 -1.51 1.06 1.03 0.05 0.00 0.00 177.00 177.60 2mfn s ARG 46 N -3.72 3.51 -0.25 4.56 0.52 -0.73 -4.91 118.95 117.93 2mfn s ARG 46 Ca 0.74 1.34 0.01 0.00 -0.52 0.00 0.00 55.73 57.30 2mfn s ARG 46 Cb -0.28 -2.05 0.04 0.00 0.52 0.00 0.00 34.95 33.18 2mfn s ARG 46 CO 0.40 -0.67 -0.09 -1.14 0.02 0.00 0.00 175.30 173.82 2mfn s GLN 47 N -3.58 2.52 -0.08 3.54 0.74 -1.26 -2.43 119.66 119.09 2mfn s GLN 47 Ca 0.67 -1.18 0.03 0.00 0.05 0.00 0.00 55.36 54.93 2mfn s GLN 47 Cb -0.18 -2.92 0.01 0.00 1.10 0.00 0.00 33.01 31.02 2mfn s GLN 47 CO 0.28 -0.49 -0.18 -0.51 -0.55 0.00 0.00 175.29 173.83 2mfn s ASP 48 N 1.21 2.47 0.05 6.67 1.01 0.49 -4.99 116.67 123.58 2mfn s ASP 48 Ca -0.04 -0.44 0.09 0.00 0.71 0.00 0.00 52.55 52.87 2mfn s ASP 48 Cb -0.18 -1.14 -0.03 0.00 1.01 0.00 0.00 42.92 42.58 2mfn s ASP 48 CO -0.05 0.10 -0.24 -0.13 0.21 0.00 0.00 175.17 175.06 2mfn s ARG 49 N 0.50 1.85 0.06 8.23 3.00 -1.26 0.24 118.95 131.56 2mfn s ARG 49 Ca -0.17 -1.09 0.05 0.00 0.00 0.00 0.00 55.73 54.51 2mfn s ARG 49 Cb -0.17 -2.04 -0.03 0.00 0.00 0.00 0.00 34.95 32.72 2mfn s ARG 49 CO 0.06 0.51 -0.13 0.14 0.00 0.00 0.00 175.30 175.89 2mfn s VAL 50 N -0.87 1.01 0.80 3.52 -7.23 -1.09 -4.86 120.40 111.67 2mfn s VAL 50 Ca 0.13 -1.20 -0.12 0.00 -1.81 0.00 0.00 61.98 58.98 2mfn s VAL 50 Cb -0.10 -0.97 0.08 0.00 0.56 0.00 0.00 36.38 35.94 2mfn s VAL 50 CO 0.03 -0.20 1.15 -2.16 -0.31 0.00 0.00 175.10 173.61 2mfn s PRO 51 N -1.58 1.82 0.38 4.82 0.04 -1.26 -3.13 135.00 136.09 2mfn s PRO 51 Ca -0.03 1.51 0.08 0.00 0.04 0.00 0.00 61.00 62.60 2mfn s PRO 51 Cb -0.09 -1.82 0.83 0.00 0.04 0.00 0.00 34.50 33.45 2mfn s PRO 51 CO 0.02 -2.03 1.97 -1.00 0.04 0.00 0.00 177.00 176.00 2mfn h PRO 52 N -1.04 0.63 0.00 0.56 0.13 -1.89 -0.48 132.00 129.91 2mfn h PRO 52 Ca -0.45 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2mfn h PRO 52 Cb 1.27 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2mfn h PRO 52 CO 0.47 0.42 0.00 0.43 -0.23 0.00 0.00 178.00 179.09 2mfn n SER 53 N -4.48 0.54 -4.60 1.44 7.64 -1.26 -4.58 113.62 108.32 2mfn n SER 53 Ca 0.10 0.63 -0.39 0.00 1.01 0.00 0.00 58.87 60.22 2mfn n SER 53 Cb 0.24 -0.74 -0.10 0.00 -1.01 0.00 0.00 64.21 62.60 2mfn n SER 53 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2mfn s ARG 54 N -3.25 3.99 0.00 1.43 3.00 -0.19 -4.91 118.95 119.03 2mfn s ARG 54 Ca 0.05 -0.11 0.13 0.00 0.00 0.00 0.00 55.73 55.80 2mfn s ARG 54 Cb 0.09 -3.66 0.08 0.00 0.00 0.00 0.00 34.95 31.46 2mfn s ARG 54 CO 0.37 -0.24 0.87 0.27 0.00 0.00 0.00 175.30 176.58 2mfn n ASN 55 N 5.22 1.92 -4.07 0.23 6.94 -1.26 -4.73 115.26 119.51 2mfn n ASN 55 Ca -0.11 -1.46 -0.22 0.00 -0.02 0.00 0.00 54.58 52.77 2mfn n ASN 55 Cb 0.51 0.12 -0.15 0.00 -2.36 0.00 0.00 39.78 37.90 2mfn n ASN 55 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2mfn s SER 56 N -1.24 1.54 -0.06 0.53 1.04 -1.26 -2.18 113.70 112.07 2mfn s SER 56 Ca 0.14 -0.24 0.02 0.00 0.48 0.00 0.00 55.95 56.35 2mfn s SER 56 Cb 0.11 -0.31 0.01 0.00 0.10 0.00 0.00 66.02 65.93 2mfn s SER 56 CO 0.21 0.12 -0.11 -0.51 0.98 0.00 0.00 173.24 173.94 2mfn s ILE 57 N -0.06 1.00 -0.28 -1.02 2.07 -0.98 -4.95 121.20 116.98 2mfn s ILE 57 Ca 0.00 -0.40 -0.15 0.00 -1.41 0.00 0.00 60.65 58.69 2mfn s ILE 57 Cb -0.08 -0.93 -0.03 0.00 0.13 0.00 0.00 42.46 41.55 2mfn s ILE 57 CO 0.00 0.32 0.38 -0.89 -1.91 0.00 0.00 174.94 172.84 2mfn s THR 58 N 0.70 5.17 0.12 4.00 2.01 -1.26 -2.22 115.64 124.15 2mfn s THR 58 Ca -0.14 0.49 -0.10 0.00 0.31 0.00 0.00 61.69 62.25 2mfn s THR 58 Cb -0.15 -3.72 -0.06 0.00 0.01 0.00 0.00 72.50 68.57 2mfn s THR 58 CO 0.03 0.11 0.45 -0.76 -0.69 0.00 0.00 174.62 173.76 2mfn s LEU 59 N 2.08 4.32 0.35 4.42 1.43 -0.83 -4.92 118.68 125.53 2mfn s LEU 59 Ca 0.15 0.85 0.06 0.00 -1.03 0.00 0.00 54.13 54.15 2mfn s LEU 59 Cb -0.16 -3.15 -0.03 0.00 0.03 0.00 0.00 46.19 42.88 2mfn s LEU 59 CO 0.10 0.12 0.22 0.42 0.23 0.00 0.00 176.35 177.44 2mfn s THR 60 N -1.48 0.21 -1.38 5.49 -4.23 -1.26 -2.20 115.64 110.79 2mfn s THR 60 Ca 0.36 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.80 2mfn s THR 60 Cb -0.14 -2.44 0.03 0.00 1.34 0.00 0.00 72.50 71.30 2mfn s THR 60 CO 0.19 0.00 0.96 0.59 -0.54 0.00 0.00 174.62 175.83 2mfn n ASN 61 N -1.39 -3.83 -4.58 3.99 3.02 -1.03 -4.91 115.26 106.53 2mfn n ASN 61 Ca 0.02 -0.71 -0.28 0.00 -0.03 0.00 0.00 54.58 53.59 2mfn n ASN 61 Cb 0.63 -4.41 -0.09 0.00 -0.61 0.00 0.00 39.78 35.30 2mfn n ASN 61 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2mfn s LEU 62 N -6.99 3.02 -0.10 3.41 1.43 -0.41 -5.06 118.68 113.99 2mfn s LEU 62 Ca 0.37 -0.50 -0.29 0.00 -1.03 0.00 0.00 54.13 52.68 2mfn s LEU 62 Cb -0.18 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 2mfn s LEU 62 CO 0.78 0.13 1.50 0.21 0.23 0.00 0.00 176.35 179.21 2mfn s ASN 63 N -2.62 6.77 0.34 2.29 3.84 -1.26 -4.29 114.94 120.02 2mfn s ASN 63 Ca 0.24 2.03 -0.29 0.00 0.21 0.00 0.00 52.86 55.05 2mfn s ASN 63 Cb -0.10 -2.54 -0.11 0.00 -0.55 0.00 0.00 41.25 37.96 2mfn s ASN 63 CO 0.15 -0.86 1.47 -2.16 -2.79 0.00 0.00 177.10 172.90 2mfn s PRO 64 N 3.83 4.17 -0.38 0.43 0.05 -1.23 -3.79 135.00 138.08 2mfn s PRO 64 Ca 0.66 2.49 -0.02 0.00 0.05 0.00 0.00 61.00 64.18 2mfn s PRO 64 Cb -0.29 -3.01 -0.02 0.00 0.05 0.00 0.00 34.50 31.24 2mfn s PRO 64 CO 0.24 -0.48 0.34 0.41 0.05 0.00 0.00 177.00 177.56 2mfn n GLY 65 N 0.93 -0.17 3.39 0.56 0.00 1.15 -4.70 105.19 106.34 2mfn n GLY 65 Ca 0.02 0.07 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 2mfn n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2mfn s THR 66 N -3.10 0.03 -0.20 2.61 2.01 -1.07 -4.90 115.64 111.02 2mfn s THR 66 Ca 0.12 -0.23 -0.24 0.00 0.31 0.00 0.00 61.69 61.66 2mfn s THR 66 Cb -0.02 -0.82 -0.01 0.00 0.01 0.00 0.00 72.50 71.66 2mfn s THR 66 CO 0.30 -0.13 0.78 -1.83 -0.69 0.00 0.00 174.62 173.06 2mfn s GLU 67 N -1.28 4.24 -0.06 4.92 -1.05 -1.26 0.53 118.70 124.72 2mfn s GLU 67 Ca -0.12 0.90 0.02 0.00 -0.15 0.00 0.00 54.97 55.61 2mfn s GLU 67 Cb -0.02 -3.60 -0.03 0.00 -0.44 0.00 0.00 34.13 30.04 2mfn s GLU 67 CO 0.07 -0.38 -0.09 0.71 0.95 0.00 0.00 175.26 176.52 2mfn s TYR 68 N 2.34 2.87 -0.27 4.83 2.02 0.60 -3.97 117.35 125.77 2mfn s TYR 68 Ca 0.35 -0.03 -0.14 0.00 -0.37 0.00 0.00 57.07 56.88 2mfn s TYR 68 Cb -0.16 -1.69 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 2mfn s TYR 68 CO 0.10 0.29 0.34 0.08 -1.57 0.00 0.00 175.55 174.79 2mfn s VAL 69 N -0.78 5.20 -0.10 0.71 1.01 0.32 -2.03 120.40 124.73 2mfn s VAL 69 Ca 0.12 0.49 0.04 0.00 0.00 0.00 0.00 61.98 62.63 2mfn s VAL 69 Cb -0.11 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.61 2mfn s VAL 69 CO 0.01 0.18 -0.24 -0.69 0.00 0.00 0.00 175.10 174.36 2mfn s VAL 70 N 1.99 2.05 -0.03 2.92 1.01 -0.96 -0.11 120.40 127.26 2mfn s VAL 70 Ca 0.13 -1.01 0.07 0.00 0.00 0.00 0.00 61.98 61.17 2mfn s VAL 70 Cb -0.16 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 2mfn s VAL 70 CO 0.10 0.56 -0.23 -0.94 0.00 0.00 0.00 175.10 174.59 2mfn s SER 71 N 0.34 3.30 -0.13 3.32 1.04 0.99 -2.08 113.70 120.48 2mfn s SER 71 Ca -0.19 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 55.84 2mfn s SER 71 Cb -0.18 -0.48 -0.01 0.00 0.10 0.00 0.00 66.02 65.45 2mfn s SER 71 CO 0.09 0.33 -0.14 -0.63 0.98 0.00 0.00 173.24 173.86 2mfn s ILE 72 N -0.63 2.96 -0.11 -1.02 -1.09 0.17 -1.80 121.20 119.68 2mfn s ILE 72 Ca 0.10 -0.70 0.03 0.00 -2.23 0.00 0.00 60.65 57.86 2mfn s ILE 72 Cb -0.10 -2.23 0.00 0.00 -1.58 0.00 0.00 42.46 38.54 2mfn s ILE 72 CO -0.01 0.53 -0.23 -0.63 -1.23 0.00 0.00 174.94 173.38 2mfn s ILE 73 N 0.35 2.15 -0.19 2.92 -1.09 -0.67 -1.42 121.20 123.24 2mfn s ILE 73 Ca -0.12 -0.98 -0.14 0.00 -2.23 0.00 0.00 60.65 57.19 2mfn s ILE 73 Cb -0.16 -1.83 -0.04 0.00 -1.58 0.00 0.00 42.46 38.84 2mfn s ILE 73 CO 0.06 0.55 0.29 0.00 -1.23 0.00 0.00 174.94 174.61 2mfn s ALA 74 N 0.41 3.59 0.02 9.38 0.00 -1.26 -0.90 121.76 133.00 2mfn s ALA 74 Ca -0.17 -0.59 0.05 0.00 0.00 0.00 0.00 51.96 51.26 2mfn s ALA 74 Cb -0.17 -2.44 -0.02 0.00 0.00 0.00 0.00 23.12 20.48 2mfn s ALA 74 CO 0.07 -0.10 -0.16 0.14 0.00 0.00 0.00 175.76 175.71 2mfn s VAL 75 N 0.87 1.30 -0.25 0.00 -7.23 -1.05 -0.28 120.40 113.76 2mfn s VAL 75 Ca 0.15 -0.90 0.11 0.00 -1.81 0.00 0.00 61.98 59.52 2mfn s VAL 75 Cb -0.14 -1.12 0.45 0.00 0.56 0.00 0.00 36.38 36.14 2mfn s VAL 75 CO 0.05 0.21 1.19 -3.20 -0.31 0.00 0.00 175.10 173.03 2mfn n ASN 76 N 2.24 3.58 0.00 4.85 4.05 0.83 -0.33 115.26 130.48 2mfn n ASN 76 Ca -0.16 -3.53 0.00 0.00 0.45 0.00 0.00 54.58 51.34 2mfn n ASN 76 Cb 0.54 -0.40 0.00 0.00 1.23 0.00 0.00 39.78 41.15 2mfn n ASN 76 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2mfn n GLY 77 N -0.75 1.08 0.27 8.20 0.00 -1.26 -4.02 105.19 108.71 2mfn n GLY 77 Ca 0.32 -0.55 0.12 0.00 0.00 0.00 0.00 46.02 45.91 2mfn n GLY 77 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2mfn n ARG 78 N 0.00 0.74 -4.92 1.61 3.00 -1.26 -4.88 116.66 110.95 2mfn n ARG 78 Ca 0.00 -0.53 -0.33 0.00 -0.00 0.00 0.00 57.85 56.99 2mfn n ARG 78 Cb 0.00 -1.49 -0.13 0.00 0.00 0.00 0.00 32.46 30.84 2mfn n ARG 78 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2mfn s GLU 79 N -2.62 2.47 -0.03 -0.14 2.02 -1.26 -5.12 118.70 114.03 2mfn s GLU 79 Ca 0.18 -0.71 0.07 0.00 0.02 0.00 0.00 54.97 54.53 2mfn s GLU 79 Cb 0.18 -2.35 -0.02 0.00 0.10 0.00 0.00 34.13 32.04 2mfn s GLU 79 CO 0.61 0.62 -0.23 -1.21 0.02 0.00 0.00 175.26 175.06 2mfn s GLU 80 N -0.73 2.21 0.56 1.61 2.02 -1.26 -0.12 118.70 122.98 2mfn s GLU 80 Ca 0.11 -0.87 0.00 0.00 0.02 0.00 0.00 54.97 54.23 2mfn s GLU 80 Cb -0.11 -2.12 0.03 0.00 0.10 0.00 0.00 34.13 32.04 2mfn s GLU 80 CO 0.00 0.57 0.79 -1.12 0.02 0.00 0.00 175.26 175.53 2mfn s SER 81 N -0.64 5.27 0.25 -0.19 0.01 0.61 -4.84 113.70 114.18 2mfn s SER 81 Ca 0.10 0.05 -0.31 0.00 1.31 0.00 0.00 55.95 57.11 2mfn s SER 81 Cb -0.10 -0.94 -0.11 0.00 0.21 0.00 0.00 66.02 65.08 2mfn s SER 81 CO -0.01 -1.15 1.57 -2.84 0.41 0.00 0.00 173.24 171.22 2mfn s PRO 82 N -4.79 4.17 0.81 12.44 0.02 -1.26 -4.51 135.00 141.88 2mfn s PRO 82 Ca 0.57 2.48 -0.13 0.00 0.02 0.00 0.00 61.00 63.94 2mfn s PRO 82 Cb -0.10 -3.07 0.07 0.00 0.02 0.00 0.00 34.50 31.42 2mfn s PRO 82 CO 0.39 -0.60 1.13 -0.35 -0.33 0.00 0.00 177.00 177.25 2mfn n PRO 83 N 2.75 0.17 -3.91 5.54 -0.04 -1.26 -4.64 135.00 133.60 2mfn n PRO 83 Ca 0.10 0.13 -0.25 0.00 -0.04 0.00 0.00 63.50 63.44 2mfn n PRO 83 Cb 0.38 -2.38 -0.17 0.00 -0.04 0.00 0.00 33.50 31.29 2mfn n PRO 83 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2mfn s LEU 84 N -5.16 1.01 -0.01 1.53 2.96 -0.51 -5.00 118.68 113.51 2mfn s LEU 84 Ca 0.72 -0.22 0.05 0.00 -0.22 0.00 0.00 54.13 54.46 2mfn s LEU 84 Cb -0.29 -0.68 -0.01 0.00 0.50 0.00 0.00 46.19 45.71 2mfn s LEU 84 CO 0.52 -0.13 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.64 2mfn s ILE 85 N 1.69 1.17 0.16 6.68 1.01 -1.26 0.43 121.20 131.09 2mfn s ILE 85 Ca 0.03 -0.63 -0.04 0.00 0.00 0.00 0.00 60.65 60.01 2mfn s ILE 85 Cb -0.13 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.33 2mfn s ILE 85 CO -0.06 0.33 0.16 -0.83 0.00 0.00 0.00 174.94 174.54 2mfn s GLY 86 N -0.33 0.96 -0.04 6.18 0.00 -0.89 -5.03 107.32 108.18 2mfn s GLY 86 Ca 0.05 -1.36 0.07 0.00 0.00 0.00 0.00 44.72 43.48 2mfn s GLY 86 CO -0.00 -1.20 -0.25 1.20 0.00 0.00 0.00 173.10 172.85 2mfn s GLN 87 N -4.06 2.35 -0.02 2.90 -1.52 -1.26 -2.28 119.66 115.77 2mfn s GLN 87 Ca 0.26 -0.90 0.02 0.00 -1.95 0.00 0.00 55.36 52.79 2mfn s GLN 87 Cb 0.06 -2.12 0.01 0.00 -0.22 0.00 0.00 33.01 30.73 2mfn s GLN 87 CO 0.05 0.48 -0.06 -1.14 -0.25 0.00 0.00 175.29 174.37 2mfn s GLN 88 N -0.41 0.64 -0.18 2.91 2.00 -0.86 -4.97 119.66 118.78 2mfn s GLN 88 Ca 0.04 -0.18 -0.09 0.00 -2.00 0.00 0.00 55.36 53.13 2mfn s GLN 88 Cb -0.12 -0.64 -0.05 0.00 0.80 0.00 0.00 33.01 33.01 2mfn s GLN 88 CO 0.01 0.06 0.11 0.00 -0.50 0.00 0.00 175.29 174.97 2mfn s ALA 89 N 0.26 3.64 0.21 1.58 0.00 -1.26 -0.29 121.76 125.91 2mfn s ALA 89 Ca -0.03 -0.70 -0.30 0.00 0.00 0.00 0.00 51.96 50.93 2mfn s ALA 89 Cb -0.07 -2.08 -0.08 0.00 0.00 0.00 0.00 23.12 20.89 2mfn s ALA 89 CO -0.00 0.23 1.12 0.95 0.00 0.00 0.00 175.76 178.06 2mfn s THR 90 N 0.17 3.69 0.98 0.00 -4.23 0.19 -4.85 115.64 111.58 2mfn s THR 90 Ca 0.08 1.51 -0.22 0.00 -1.18 0.00 0.00 61.69 61.88 2mfn s THR 90 Cb -0.11 -3.96 -0.08 0.00 1.34 0.00 0.00 72.50 69.68 2mfn s THR 90 CO -0.01 0.28 -0.91 0.52 -0.54 0.00 0.00 174.62 173.97 2mfn n VAL 91 N 2.08 0.00 -4.48 2.29 0.31 -1.25 -2.14 118.33 115.13 2mfn n VAL 91 Ca 0.02 -0.07 -0.34 0.00 -0.01 0.00 0.00 64.34 63.93 2mfn n VAL 91 Cb 0.45 -0.17 -0.10 0.00 -0.91 0.00 0.00 33.84 33.11 2mfn n VAL 91 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2mfn s SER 92 N -1.26 4.96 0.21 4.52 0.01 -1.26 0.36 113.70 121.24 2mfn s SER 92 Ca 0.37 0.06 -0.08 0.00 1.31 0.00 0.00 55.95 57.61 2mfn s SER 92 Cb 0.03 -1.33 0.15 0.00 0.21 0.00 0.00 66.02 65.09 2mfn s SER 92 CO 0.57 0.37 1.77 0.44 0.41 0.00 0.00 173.24 176.79 2mfn h ASP 93 N 5.15 1.10 -3.81 2.44 3.32 -1.93 -3.38 116.42 119.31 2mfn h ASP 93 Ca -0.50 -0.18 -0.52 0.00 0.02 0.00 0.00 57.03 55.85 2mfn h ASP 93 Cb 1.18 -0.29 0.04 0.00 0.22 0.00 0.00 39.33 40.49 2mfn h ASP 93 CO 0.53 0.99 0.58 -0.63 -1.72 0.00 0.00 179.24 178.99 2mfn s ILE 94 N -5.52 3.05 0.00 0.35 1.01 -1.26 -4.70 121.20 114.13 2mfn s ILE 94 Ca -0.12 1.04 0.00 0.00 0.00 0.00 0.00 60.65 61.57 2mfn s ILE 94 Cb 0.16 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.96 2mfn s ILE 94 CO 0.84 0.24 0.00 -2.65 0.00 0.00 0.00 174.94 173.37 2mfn n PRO 95 N 1.09 -0.54 -3.73 2.79 -0.01 -1.26 -4.77 135.00 128.57 2mfn n PRO 95 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 63.50 63.40 2mfn n PRO 95 Cb 0.43 0.00 -0.03 0.00 -0.01 0.00 0.00 33.50 33.89 2mfn n PRO 95 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 175.50 174.51 2mfn s ARG 96 N -1.65 1.49 -0.75 -0.52 1.70 -1.15 -4.94 118.95 113.12 2mfn s ARG 96 Ca 0.00 -0.85 -0.03 0.00 -0.47 0.00 0.00 55.73 54.38 2mfn s ARG 96 Cb 0.00 0.56 0.00 0.00 -0.57 0.00 0.00 34.95 34.94 2mfn s ARG 96 CO 0.00 -0.65 0.43 -3.47 -1.08 0.00 0.00 175.30 170.53 2mfn n ASP 97 N -0.39 -4.02 -4.56 -2.89 -0.08 -1.26 -0.86 116.55 102.49 2mfn n ASP 97 Ca -0.09 -0.20 -0.40 0.00 -1.51 0.00 0.00 54.79 52.59 2mfn n ASP 97 Cb 0.62 -2.78 -0.03 0.00 2.34 0.00 0.00 41.12 41.27 2mfn n ASP 97 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2mfn s LEU 98 N -3.87 3.32 0.24 -2.67 2.96 -1.26 -4.09 118.68 113.33 2mfn s LEU 98 Ca 0.21 0.30 -0.12 0.00 -0.22 0.00 0.00 54.13 54.30 2mfn s LEU 98 Cb -0.09 -2.78 -0.01 0.00 0.50 0.00 0.00 46.19 43.81 2mfn s LEU 98 CO 0.26 -2.04 0.44 -1.61 -1.32 0.00 0.00 176.35 172.09 2mfn s GLU 99 N 6.27 1.52 -0.15 1.98 2.02 -1.06 -4.94 118.70 124.33 2mfn s GLU 99 Ca 0.59 -1.29 -0.08 0.00 0.02 0.00 0.00 54.97 54.21 2mfn s GLU 99 Cb -0.12 0.45 -0.04 0.00 0.10 0.00 0.00 34.13 34.51 2mfn s GLU 99 CO 0.22 -0.62 0.12 0.08 0.02 0.00 0.00 175.26 175.08 2mfn s VAL 100 N -4.03 5.32 -0.42 2.63 1.01 -1.26 -1.66 120.40 122.00 2mfn s VAL 100 Ca 0.24 0.15 0.17 0.00 0.00 0.00 0.00 61.98 62.54 2mfn s VAL 100 Cb 0.00 -3.36 -0.23 0.00 0.00 0.00 0.00 36.38 32.80 2mfn s VAL 100 CO 0.09 0.55 0.55 2.30 0.00 0.00 0.00 175.10 178.59 2mfn n ILE 101 N 2.63 0.00 -3.97 2.22 -5.35 -0.94 -4.96 119.36 108.99 2mfn n ILE 101 Ca -0.18 -0.25 -0.10 0.00 -0.27 0.00 0.00 62.75 61.95 2mfn n ILE 101 Cb 0.54 0.56 -0.12 0.00 -1.74 0.00 0.00 39.64 38.88 2mfn n ILE 101 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2mfn s ALA 102 N -2.90 0.13 -0.10 -1.28 0.00 -1.26 -4.99 121.76 111.37 2mfn s ALA 102 Ca 0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 51.96 51.45 2mfn s ALA 102 Cb 0.12 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.38 2mfn s ALA 102 CO 0.71 -0.12 -0.04 0.45 0.00 0.00 0.00 175.76 176.76 2mfn s SER 103 N -1.21 1.94 0.18 0.00 0.15 -1.26 -1.88 113.70 111.62 2mfn s SER 103 Ca -0.13 -0.22 0.11 0.00 0.70 0.00 0.00 55.95 56.41 2mfn s SER 103 Cb -0.08 -0.65 -0.04 0.00 -1.71 0.00 0.00 66.02 63.53 2mfn s SER 103 CO -0.01 -0.16 -0.20 0.42 1.20 0.00 0.00 173.24 174.49 2mfn s THR 104 N 1.83 2.58 0.28 6.45 -4.23 0.13 -5.00 115.64 117.68 2mfn s THR 104 Ca 0.05 -1.88 0.03 0.00 -1.18 0.00 0.00 61.69 58.71 2mfn s THR 104 Cb -0.13 -2.23 0.27 0.00 1.34 0.00 0.00 72.50 71.75 2mfn s THR 104 CO -0.07 -0.08 1.73 -0.65 -0.54 0.00 0.00 174.62 175.02 2mfn h PRO 105 N 3.24 0.53 -0.03 3.99 0.10 -1.97 -2.62 132.00 135.23 2mfn h PRO 105 Ca -0.47 -0.03 0.00 0.00 0.10 0.00 0.00 66.00 65.60 2mfn h PRO 105 Cb 1.20 -0.12 0.00 0.00 0.10 0.00 0.00 31.00 32.18 2mfn h PRO 105 CO 0.48 0.35 0.00 0.25 0.10 0.00 0.00 178.00 179.18 2mfn n THR 106 N -4.93 1.04 -3.72 -1.15 -2.24 -1.26 -4.06 114.28 97.96 2mfn n THR 106 Ca 0.21 -1.05 -0.10 0.00 -2.27 0.00 0.00 64.05 60.84 2mfn n THR 106 Cb 0.57 0.47 -0.05 0.00 -2.10 0.00 0.00 70.33 69.22 2mfn n THR 106 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2mfn s SER 107 N -1.07 -0.14 0.04 3.42 1.04 -0.99 -2.06 113.70 113.94 2mfn s SER 107 Ca 0.03 -0.45 -0.06 0.00 0.48 0.00 0.00 55.95 55.96 2mfn s SER 107 Cb 0.02 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.59 2mfn s SER 107 CO 0.02 -0.85 0.10 -0.76 0.98 0.00 0.00 173.24 172.72 2mfn s LEU 108 N -2.84 1.80 -0.22 2.42 1.43 0.07 0.20 118.68 121.55 2mfn s LEU 108 Ca 0.05 -0.55 -0.10 0.00 -1.03 0.00 0.00 54.13 52.50 2mfn s LEU 108 Cb 0.02 0.61 -0.05 0.00 0.03 0.00 0.00 46.19 46.81 2mfn s LEU 108 CO -0.10 -0.52 0.15 -0.22 0.23 0.00 0.00 176.35 175.89 2mfn s LEU 109 N -2.19 4.16 -0.07 1.79 1.98 -0.79 0.29 118.68 123.86 2mfn s LEU 109 Ca -0.04 0.16 0.01 0.00 -2.89 0.00 0.00 54.13 51.37 2mfn s LEU 109 Cb -0.01 -2.10 -0.03 0.00 0.66 0.00 0.00 46.19 44.72 2mfn s LEU 109 CO -0.05 0.12 -0.07 0.27 -1.89 0.00 0.00 176.35 174.72 2mfn s ILE 110 N 0.75 3.69 0.00 6.68 -4.36 0.12 -2.21 121.20 125.87 2mfn s ILE 110 Ca 0.08 -0.49 0.01 0.00 -0.26 0.00 0.00 60.65 59.99 2mfn s ILE 110 Cb -0.12 -2.50 -0.01 0.00 1.25 0.00 0.00 42.46 41.08 2mfn s ILE 110 CO 0.02 0.60 -0.03 -0.44 0.24 0.00 0.00 174.94 175.33 2mfn s SER 111 N -0.81 0.31 0.13 4.36 0.01 -0.66 -0.44 113.70 116.61 2mfn s SER 111 Ca 0.12 -0.13 -0.17 0.00 1.31 0.00 0.00 55.95 57.08 2mfn s SER 111 Cb -0.11 -0.01 0.04 0.00 0.21 0.00 0.00 66.02 66.15 2mfn s SER 111 CO 0.01 -0.03 0.43 -1.66 0.41 0.00 0.00 173.24 172.41 2mfn s TRP 112 N -0.32 -0.26 -0.16 2.43 -2.14 -0.92 -2.57 118.94 115.01 2mfn s TRP 112 Ca -0.02 -0.04 -0.14 0.00 2.66 0.00 0.00 56.10 58.56 2mfn s TRP 112 Cb -0.03 0.30 -0.05 0.00 -3.10 0.00 0.00 33.47 30.60 2mfn s TRP 112 CO -0.00 -0.72 0.31 -1.21 -2.66 0.00 0.00 176.95 172.66 2mfn s GLU 113 N -3.79 4.26 0.42 3.25 0.41 -0.04 -4.65 118.70 118.55 2mfn s GLU 113 Ca 0.03 0.12 -0.27 0.00 -0.41 0.00 0.00 54.97 54.44 2mfn s GLU 113 Cb 0.01 -3.42 -0.10 0.00 -1.78 0.00 0.00 34.13 28.84 2mfn s GLU 113 CO -0.12 0.24 1.47 -0.35 -0.49 0.00 0.00 175.26 176.00 2mfn n PRO 114 N 3.57 2.48 0.00 0.39 -0.04 -1.26 -2.95 135.00 137.20 2mfn n PRO 114 Ca -0.11 0.88 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 2mfn n PRO 114 Cb 0.52 -2.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 2mfn n PRO 114 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2mfn n PRO 115 N 0.11 0.36 -0.61 0.54 -0.04 -1.26 -4.90 135.00 129.21 2mfn n PRO 115 Ca 0.03 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.57 2mfn n PRO 115 Cb 0.40 0.00 0.33 0.00 -0.04 0.00 0.00 33.50 34.19 2mfn n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2mfn n ALA 116 N -3.00 3.20 -2.28 0.55 0.00 -1.26 -4.95 120.51 112.77 2mfn n ALA 116 Ca 0.00 -1.84 -0.16 0.00 0.00 0.00 0.00 53.44 51.45 2mfn n ALA 116 Cb 0.00 -0.91 -0.10 0.00 0.00 0.00 0.00 19.45 18.44 2mfn n ALA 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2mfn s VAL 117 N -2.28 1.35 0.12 0.00 -7.23 -1.26 -4.25 120.40 106.85 2mfn s VAL 117 Ca 0.47 -2.11 -0.31 0.00 -1.81 0.00 0.00 61.98 58.22 2mfn s VAL 117 Cb 0.34 -1.91 -0.08 0.00 0.56 0.00 0.00 36.38 35.29 2mfn s VAL 117 CO 0.17 -0.70 1.35 -0.55 -0.31 0.00 0.00 175.10 175.06 2mfn s SER 118 N -3.22 6.88 -0.12 4.85 0.15 -1.26 -5.01 113.70 115.97 2mfn s SER 118 Ca 0.19 2.29 0.01 0.00 0.70 0.00 0.00 55.95 59.13 2mfn s SER 118 Cb 0.01 -2.59 -0.01 0.00 -1.71 0.00 0.00 66.02 61.73 2mfn s SER 118 CO 0.03 -0.60 -0.16 -0.69 1.20 0.00 0.00 173.24 173.01 2mfn s VAL 119 N 0.95 2.74 0.02 4.45 1.01 -1.26 -4.66 120.40 123.65 2mfn s VAL 119 Ca 0.62 -0.77 -0.21 0.00 0.00 0.00 0.00 61.98 61.63 2mfn s VAL 119 Cb -0.36 -2.12 -0.17 0.00 0.00 0.00 0.00 36.38 33.73 2mfn s VAL 119 CO 0.31 0.54 1.26 0.03 0.00 0.00 0.00 175.10 177.24 2mfn h ARG 120 N 6.70 0.36 -2.34 2.72 2.47 -1.56 -3.44 114.38 119.29 2mfn h ARG 120 Ca -0.23 -0.24 0.15 0.00 -1.26 0.00 0.00 59.98 58.40 2mfn h ARG 120 Cb 1.22 0.03 -0.10 0.00 -1.65 0.00 0.00 29.97 29.47 2mfn h ARG 120 CO 0.53 0.84 0.48 1.52 0.56 0.00 0.00 179.97 183.90 2mfn s TYR 121 N -3.94 -0.20 -0.02 3.04 1.13 -1.10 -3.59 117.35 112.68 2mfn s TYR 121 Ca -0.14 -0.06 0.08 0.00 -1.41 0.00 0.00 57.07 55.53 2mfn s TYR 121 Cb 0.04 0.61 -0.02 0.00 -1.10 0.00 0.00 41.96 41.50 2mfn s TYR 121 CO 0.77 -0.75 -0.25 0.71 -2.51 0.00 0.00 175.55 173.51 2mfn s TYR 122 N -3.25 2.29 -0.17 -3.49 1.51 -0.28 -1.64 117.35 112.31 2mfn s TYR 122 Ca 0.10 -0.44 -0.13 0.00 -1.01 0.00 0.00 57.07 55.59 2mfn s TYR 122 Cb -0.01 -1.47 -0.05 0.00 -0.11 0.00 0.00 41.96 40.32 2mfn s TYR 122 CO -0.01 -0.05 0.26 0.50 -1.11 0.00 0.00 175.55 175.14 2mfn s ARG 123 N -0.58 4.24 -0.10 -0.62 3.52 0.41 -0.39 118.95 125.43 2mfn s ARG 123 Ca 0.09 0.03 0.04 0.00 -0.13 0.00 0.00 55.73 55.76 2mfn s ARG 123 Cb -0.10 -3.42 -0.00 0.00 -1.56 0.00 0.00 34.95 29.86 2mfn s ARG 123 CO -0.01 0.25 -0.23 0.42 -0.81 0.00 0.00 175.30 174.92 2mfn s ILE 124 N 0.45 2.19 0.03 4.11 1.01 -0.56 0.97 121.20 129.40 2mfn s ILE 124 Ca 0.15 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.84 2mfn s ILE 124 Cb -0.13 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 2mfn s ILE 124 CO 0.03 0.56 0.05 0.42 0.00 0.00 0.00 174.94 175.99 2mfn s THR 125 N 0.32 4.42 -0.12 2.92 -4.23 0.55 -1.04 115.64 118.46 2mfn s THR 125 Ca -0.17 -0.62 -0.15 0.00 -1.18 0.00 0.00 61.69 59.56 2mfn s THR 125 Cb -0.18 -3.04 -0.05 0.00 1.34 0.00 0.00 72.50 70.57 2mfn s THR 125 CO 0.08 0.27 0.36 -0.31 -0.54 0.00 0.00 174.62 174.49 2mfn s TYR 126 N -1.22 3.53 -0.27 3.99 1.51 0.69 -2.58 117.35 122.99 2mfn s TYR 126 Ca 0.24 0.75 -0.08 0.00 -1.01 0.00 0.00 57.07 56.97 2mfn s TYR 126 Cb -0.12 -2.38 -0.01 0.00 -0.11 0.00 0.00 41.96 39.34 2mfn s TYR 126 CO 0.15 0.31 0.09 0.20 -1.11 0.00 0.00 175.55 175.19 2mfn s GLY 127 N 0.18 1.79 -0.04 0.71 0.00 0.44 -2.82 107.32 107.58 2mfn s GLY 127 Ca 0.20 -1.27 0.01 0.00 0.00 0.00 0.00 44.72 43.66 2mfn s GLY 127 CO 0.07 0.60 -0.03 -0.54 0.00 0.00 0.00 173.10 173.21 2mfn s GLU 128 N 1.58 2.79 0.00 2.90 2.02 -1.26 -1.21 118.70 125.53 2mfn s GLU 128 Ca 0.05 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 54.48 2mfn s GLU 128 Cb -0.16 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.41 2mfn s GLU 128 CO 0.04 0.65 0.00 0.25 0.02 0.00 0.00 175.26 176.22 2mfn n THR 129 N 1.81 0.00 0.84 3.63 -2.24 0.27 0.05 114.28 118.64 2mfn n THR 129 Ca -0.17 0.04 0.14 0.00 -2.27 0.00 0.00 64.05 61.79 2mfn n THR 129 Cb 0.53 -0.07 0.53 0.00 -2.10 0.00 0.00 70.33 69.22 2mfn n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2mfn n GLY 130 N -0.05 -1.58 2.23 3.38 0.00 -1.26 -4.15 105.19 103.76 2mfn n GLY 130 Ca 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 46.02 45.93 2mfn n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2mfn n GLY 131 N 1.39 1.49 0.38 -0.02 0.00 0.11 -4.29 105.19 104.25 2mfn n GLY 131 Ca 0.06 -0.28 -0.02 0.00 0.00 0.00 0.00 46.02 45.78 2mfn n GLY 131 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2mfn h ASN 132 N 4.60 1.16 0.00 1.61 -1.24 -1.72 -3.27 115.58 116.72 2mfn h ASN 132 Ca 0.04 -0.03 -0.40 0.00 0.71 0.00 0.00 56.30 56.62 2mfn h ASN 132 Cb 0.43 -0.29 -0.06 0.00 0.73 0.00 0.00 38.32 39.13 2mfn h ASN 132 CO 0.32 0.84 -2.30 -1.20 -1.29 0.00 0.00 177.43 173.80 2mfn n SER 133 N -4.38 1.95 -2.07 1.15 7.64 -1.26 -4.50 113.62 112.14 2mfn n SER 133 Ca 0.12 0.35 -0.02 0.00 1.01 0.00 0.00 58.87 60.33 2mfn n SER 133 Cb 0.01 -0.82 -0.02 0.00 -1.01 0.00 0.00 64.21 62.37 2mfn n SER 133 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2mfn n PRO 134 N -4.29 0.42 -1.76 1.43 -0.05 -1.25 -4.86 135.00 124.64 2mfn n PRO 134 Ca -0.49 -0.13 -0.33 0.00 -0.05 0.00 0.00 63.50 62.50 2mfn n PRO 134 Cb 0.83 -1.48 0.05 0.00 -0.05 0.00 0.00 33.50 32.85 2mfn n PRO 134 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 175.50 175.59 2mfn s VAL 135 N 1.84 3.11 -0.16 0.52 -7.23 -1.23 -4.92 120.40 112.33 2mfn s VAL 135 Ca 0.09 0.54 -0.03 0.00 -1.81 0.00 0.00 61.98 60.76 2mfn s VAL 135 Cb 0.04 -3.07 -0.02 0.00 0.56 0.00 0.00 36.38 33.89 2mfn s VAL 135 CO 0.00 -0.30 -0.05 -1.10 -0.31 0.00 0.00 175.10 173.34 2mfn s GLN 136 N -3.99 3.60 0.21 4.82 -0.21 -1.13 -4.81 119.66 118.16 2mfn s GLN 136 Ca 0.69 -0.55 0.11 0.00 0.02 0.00 0.00 55.36 55.63 2mfn s GLN 136 Cb -0.22 -2.90 -0.05 0.00 1.00 0.00 0.00 33.01 30.85 2mfn s GLN 136 CO 0.40 0.18 -0.21 -1.83 -2.12 0.00 0.00 175.29 171.71 2mfn s GLU 137 N 0.51 1.62 0.02 2.91 -1.05 -1.26 0.25 118.70 121.70 2mfn s GLU 137 Ca -0.04 -1.54 -0.01 0.00 -0.15 0.00 0.00 54.97 53.22 2mfn s GLU 137 Cb -0.14 -1.87 -0.02 0.00 -0.44 0.00 0.00 34.13 31.66 2mfn s GLU 137 CO 0.03 0.39 -0.00 -0.59 0.95 0.00 0.00 175.26 176.04 2mfn s PHE 138 N -1.85 0.26 0.57 4.83 -0.71 -0.21 -4.98 117.98 115.90 2mfn s PHE 138 Ca 0.23 -0.55 -0.04 0.00 -1.04 0.00 0.00 56.93 55.53 2mfn s PHE 138 Cb -0.07 -0.20 0.01 0.00 -1.21 0.00 0.00 43.02 41.55 2mfn s PHE 138 CO 0.12 -0.24 0.85 0.95 -1.34 0.00 0.00 175.22 175.55 2mfn s THR 139 N -1.87 3.48 -0.35 -4.49 -4.23 -1.26 -1.50 115.64 105.41 2mfn s THR 139 Ca -0.12 -0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 2mfn s THR 139 Cb -0.07 -3.36 0.12 0.00 1.34 0.00 0.00 72.50 70.53 2mfn s THR 139 CO -0.02 -0.34 0.16 -0.69 -0.54 0.00 0.00 174.62 173.19 2mfn s VAL 140 N -2.89 0.89 0.00 2.29 1.01 0.48 -4.88 120.40 117.29 2mfn s VAL 140 Ca 0.54 -1.76 0.00 0.00 0.00 0.00 0.00 61.98 60.76 2mfn s VAL 140 Cb -0.10 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.62 2mfn s VAL 140 CO 0.43 -0.79 0.21 -2.65 0.00 0.00 0.00 175.10 172.30 2mfn n PRO 141 N 4.37 0.00 -1.22 2.72 -0.02 -1.26 -1.12 135.00 138.46 2mfn n PRO 141 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2mfn n PRO 141 Cb 0.39 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 2mfn n PRO 141 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2mfn n GLY 142 N 2.41 -0.13 0.22 -1.23 0.00 -1.24 -4.63 105.19 100.60 2mfn n GLY 142 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2mfn n GLY 142 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2mfn h SER 143 N 0.00 0.60 -5.07 1.61 4.64 -1.90 -3.45 113.55 109.98 2mfn h SER 143 Ca 0.00 -0.28 -0.15 0.00 -0.47 0.00 0.00 61.79 60.89 2mfn h SER 143 Cb 0.27 -0.17 -0.19 0.00 -0.31 0.00 0.00 62.40 62.00 2mfn h SER 143 CO 0.00 0.96 -0.69 -0.54 -0.87 0.00 0.00 176.83 175.69 2mfn s LYS 144 N -4.17 0.42 0.00 4.77 -0.14 -1.26 -5.02 119.74 114.34 2mfn s LYS 144 Ca -0.07 -0.84 0.29 0.00 -1.36 0.00 0.00 55.97 53.99 2mfn s LYS 144 Cb 0.12 0.14 1.24 0.00 -1.68 0.00 0.00 37.83 37.64 2mfn s LYS 144 CO 0.83 -0.07 1.93 -1.13 -0.76 0.00 0.00 175.35 176.14 2mfn n SER 145 N 1.05 0.00 -4.24 2.83 3.41 -1.26 -4.79 113.62 110.61 2mfn n SER 145 Ca -0.20 0.50 -0.20 0.00 -0.26 0.00 0.00 58.87 58.70 2mfn n SER 145 Cb 0.57 -0.50 -0.12 0.00 -0.26 0.00 0.00 64.21 63.91 2mfn n SER 145 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2mfn s THR 146 N -3.00 1.42 0.20 6.66 -4.23 -1.26 -2.16 115.64 113.27 2mfn s THR 146 Ca 0.14 -1.59 -0.02 0.00 -1.18 0.00 0.00 61.69 59.04 2mfn s THR 146 Cb 0.19 -1.45 -0.04 0.00 1.34 0.00 0.00 72.50 72.54 2mfn s THR 146 CO 0.53 -0.26 0.15 0.00 -0.54 0.00 0.00 174.62 174.49 2mfn s ALA 147 N -1.65 1.01 -0.06 3.99 0.00 0.42 -4.97 121.76 120.50 2mfn s ALA 147 Ca 0.06 -1.60 0.03 0.00 0.00 0.00 0.00 51.96 50.45 2mfn s ALA 147 Cb -0.08 1.30 -0.03 0.00 0.00 0.00 0.00 23.12 24.32 2mfn s ALA 147 CO 0.04 -0.60 -0.11 -0.08 0.00 0.00 0.00 175.76 175.00 2mfn s THR 148 N -4.13 3.31 -0.23 0.00 -1.32 -1.26 0.13 115.64 112.14 2mfn s THR 148 Ca 0.36 -0.63 -0.06 0.00 -1.21 0.00 0.00 61.69 60.15 2mfn s THR 148 Cb 0.06 -2.32 -0.02 0.00 -1.51 0.00 0.00 72.50 68.71 2mfn s THR 148 CO 0.10 0.59 0.02 -0.63 -2.21 0.00 0.00 174.62 172.50 2mfn s ILE 149 N -0.76 3.92 0.35 5.08 -1.09 0.14 -4.94 121.20 123.90 2mfn s ILE 149 Ca 0.12 -0.31 0.06 0.00 -2.23 0.00 0.00 60.65 58.29 2mfn s ILE 149 Cb -0.11 -2.81 -0.07 0.00 -1.58 0.00 0.00 42.46 37.90 2mfn s ILE 149 CO 0.01 0.38 0.01 0.20 -1.23 0.00 0.00 174.94 174.31 2mfn s ASN 150 N 1.45 3.09 -0.18 3.58 0.01 -1.26 -0.75 114.94 120.88 2mfn s ASN 150 Ca 0.05 -1.33 -0.01 0.00 -0.71 0.00 0.00 52.86 50.87 2mfn s ASN 150 Cb -0.15 -0.23 0.00 0.00 0.41 0.00 0.00 41.25 41.28 2mfn s ASN 150 CO 0.01 -0.47 0.16 -3.20 -1.51 0.00 0.00 177.10 172.08 2mfn n ASN 151 N -0.78 -2.32 -4.40 -1.22 5.15 -1.16 -4.99 115.26 105.55 2mfn n ASN 151 Ca -0.04 -0.08 -0.33 0.00 -0.60 0.00 0.00 54.58 53.53 2mfn n ASN 151 Cb 0.66 -1.15 -0.14 0.00 -0.53 0.00 0.00 39.78 38.62 2mfn n ASN 151 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2mfn s ILE 152 N -3.05 3.23 -0.09 -1.44 1.01 -0.88 -5.07 121.20 114.92 2mfn s ILE 152 Ca 0.04 -0.60 -0.30 0.00 0.00 0.00 0.00 60.65 59.80 2mfn s ILE 152 Cb -0.02 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 40.05 2mfn s ILE 152 CO 0.10 0.52 1.35 -0.54 0.00 0.00 0.00 174.94 176.37 2mfn s LYS 153 N 0.34 4.25 0.84 2.79 1.02 -1.26 -4.44 119.74 123.29 2mfn s LYS 153 Ca -0.09 1.82 -0.11 0.00 0.02 0.00 0.00 55.97 57.61 2mfn s LYS 153 Cb -0.16 -3.73 0.10 0.00 -0.52 0.00 0.00 37.83 33.52 2mfn s LYS 153 CO 0.05 -0.66 1.13 -1.25 -0.92 0.00 0.00 175.35 173.70 2mfn s PRO 154 N 3.17 1.57 -1.98 -1.68 0.05 -1.26 -3.20 135.00 131.68 2mfn s PRO 154 Ca 0.60 1.43 0.00 0.00 0.05 0.00 0.00 61.00 63.08 2mfn s PRO 154 Cb -0.26 -1.80 0.00 0.00 0.05 0.00 0.00 34.50 32.49 2mfn s PRO 154 CO 0.21 -2.20 0.00 0.41 0.05 0.00 0.00 177.00 175.47 2mfn n GLY 155 N -0.28 1.19 3.07 0.56 0.00 0.36 -4.96 105.19 105.13 2mfn n GLY 155 Ca 0.11 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 2mfn n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2mfn s ALA 156 N -2.82 1.33 0.38 4.61 0.00 -1.19 -4.92 121.76 119.15 2mfn s ALA 156 Ca 0.00 -0.53 -0.28 0.00 0.00 0.00 0.00 51.96 51.15 2mfn s ALA 156 Cb 0.00 -0.51 -0.11 0.00 0.00 0.00 0.00 23.12 22.50 2mfn s ALA 156 CO 0.00 0.19 1.50 -3.47 0.00 0.00 0.00 175.76 173.98 2mfn n ASP 157 N 3.43 3.84 -4.25 0.00 -0.08 -1.26 -2.03 116.55 116.19 2mfn n ASP 157 Ca -0.20 1.23 -0.14 0.00 -1.51 0.00 0.00 54.79 54.17 2mfn n ASP 157 Cb 0.53 -1.63 -0.10 0.00 2.34 0.00 0.00 41.12 42.26 2mfn n ASP 157 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 2mfn s TYR 158 N -1.12 1.27 -0.08 -0.67 1.51 0.43 0.94 117.35 119.63 2mfn s TYR 158 Ca 0.53 -0.84 -0.01 0.00 -1.01 0.00 0.00 57.07 55.75 2mfn s TYR 158 Cb -0.47 -0.68 0.03 0.00 -0.11 0.00 0.00 41.96 40.73 2mfn s TYR 158 CO 0.64 -0.00 -0.02 0.99 -1.11 0.00 0.00 175.55 176.05 2mfn s THR 159 N -3.42 0.51 -0.24 -0.71 2.01 -0.35 0.47 115.64 113.91 2mfn s THR 159 Ca 0.19 0.02 -0.07 0.00 0.31 0.00 0.00 61.69 62.15 2mfn s THR 159 Cb 0.04 -0.63 -0.03 0.00 0.01 0.00 0.00 72.50 71.89 2mfn s THR 159 CO 0.02 0.28 0.05 -0.63 -0.69 0.00 0.00 174.62 173.65 2mfn s ILE 160 N 1.83 4.15 0.06 1.82 1.01 -0.55 0.17 121.20 129.68 2mfn s ILE 160 Ca 0.04 -0.23 0.04 0.00 0.00 0.00 0.00 60.65 60.50 2mfn s ILE 160 Cb -0.12 -2.93 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 2mfn s ILE 160 CO -0.05 0.36 -0.12 -0.89 0.00 0.00 0.00 174.94 174.23 2mfn s THR 161 N 1.57 0.91 0.02 2.92 2.01 -1.06 -1.26 115.64 120.74 2mfn s THR 161 Ca 0.06 -1.22 -0.05 0.00 0.31 0.00 0.00 61.69 60.79 2mfn s THR 161 Cb -0.15 -0.91 -0.01 0.00 0.01 0.00 0.00 72.50 71.44 2mfn s THR 161 CO 0.02 -0.28 0.08 -1.48 -0.69 0.00 0.00 174.62 172.27 2mfn s LEU 162 N -1.68 1.81 -0.02 4.42 0.05 -0.93 0.21 118.68 122.54 2mfn s LEU 162 Ca -0.05 -0.37 0.08 0.00 0.05 0.00 0.00 54.13 53.83 2mfn s LEU 162 Cb -0.10 0.49 -0.02 0.00 -2.05 0.00 0.00 46.19 44.51 2mfn s LEU 162 CO 0.02 -0.39 -0.25 -0.31 -0.55 0.00 0.00 176.35 174.87 2mfn s TYR 163 N -1.72 2.22 -0.17 3.48 1.51 0.27 -2.66 117.35 120.28 2mfn s TYR 163 Ca -0.13 -0.42 -0.08 0.00 -1.01 0.00 0.00 57.07 55.44 2mfn s TYR 163 Cb -0.07 -1.43 -0.04 0.00 -0.11 0.00 0.00 41.96 40.31 2mfn s TYR 163 CO -0.01 -0.04 0.08 0.00 -1.11 0.00 0.00 175.55 174.48 2mfn s ALA 164 N -0.58 3.51 -0.17 3.71 0.00 -1.26 0.16 121.76 127.12 2mfn s ALA 164 Ca 0.10 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.34 2mfn s ALA 164 Cb -0.10 -1.96 0.02 0.00 0.00 0.00 0.00 23.12 21.08 2mfn s ALA 164 CO -0.01 0.24 -0.20 0.08 0.00 0.00 0.00 175.76 175.87 2mfn s VAL 165 N 0.16 2.12 -0.03 0.00 1.01 -0.65 -3.18 120.40 119.83 2mfn s VAL 165 Ca 0.06 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 2mfn s VAL 165 Cb -0.12 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 2mfn s VAL 165 CO 0.00 0.54 -0.09 0.35 0.00 0.00 0.00 175.10 175.89 2mfn n THR 166 N 4.49 0.65 -2.46 3.92 -2.24 -1.26 -1.94 114.28 115.46 2mfn n THR 166 Ca -0.21 0.27 -0.40 0.00 -2.27 0.00 0.00 64.05 61.45 2mfn n THR 166 Cb 0.50 -1.63 -0.04 0.00 -2.10 0.00 0.00 70.33 67.06 2mfn n THR 166 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2mfn s GLY 167 N -3.72 3.02 0.03 3.38 0.00 -1.26 -4.22 107.32 104.55 2mfn s GLY 167 Ca -0.08 0.90 -0.14 0.00 0.00 0.00 0.00 44.72 45.40 2mfn s GLY 167 CO 0.12 1.48 0.31 0.50 0.00 0.00 0.00 173.10 175.51 2mfn s ARG 168 N -1.61 0.78 0.63 2.90 0.52 -1.26 -3.27 118.95 117.65 2mfn s ARG 168 Ca 0.47 -0.42 0.00 0.00 -0.52 0.00 0.00 55.73 55.26 2mfn s ARG 168 Cb -0.31 0.34 0.00 0.00 0.52 0.00 0.00 34.95 35.50 2mfn s ARG 168 CO 0.40 -0.24 0.00 0.41 0.02 0.00 0.00 175.30 175.89 2mfn n GLY 169 N 0.74 1.58 0.12 -3.53 0.00 -1.26 -4.37 105.19 98.48 2mfn n GLY 169 Ca -0.19 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.31 2mfn n GLY 169 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2mfn h ASP 170 N 0.00 0.34 -2.12 1.61 3.32 -2.03 -3.39 116.42 114.15 2mfn h ASP 170 Ca 0.00 -0.66 -0.57 0.00 0.02 0.00 0.00 57.03 55.81 2mfn h ASP 170 Cb 0.00 -0.10 -0.40 0.00 0.22 0.00 0.00 39.33 39.05 2mfn h ASP 170 CO 0.00 0.95 -0.98 -1.20 -1.72 0.00 0.00 179.24 176.29 2mfn n SER 171 N -4.47 0.85 -4.55 6.45 7.64 -1.26 -5.07 113.62 113.22 2mfn n SER 171 Ca -0.09 -2.81 -0.36 0.00 1.01 0.00 0.00 58.87 56.63 2mfn n SER 171 Cb 0.49 -0.64 -0.03 0.00 -1.01 0.00 0.00 64.21 63.02 2mfn n SER 171 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2mfn s PRO 172 N -1.27 2.41 0.08 1.43 0.05 -1.26 -4.18 135.00 132.26 2mfn s PRO 172 Ca 0.35 0.81 0.09 0.00 0.05 0.00 0.00 61.00 62.30 2mfn s PRO 172 Cb 0.14 -4.51 -0.03 0.00 0.05 0.00 0.00 34.50 30.15 2mfn s PRO 172 CO -0.11 -3.02 -0.23 0.00 0.05 0.00 0.00 177.00 173.70 2mfn s ALA 173 N 10.37 1.99 0.10 8.56 0.00 -1.20 -4.97 121.76 136.61 2mfn s ALA 173 Ca 0.78 -1.25 0.09 0.00 0.00 0.00 0.00 51.96 51.59 2mfn s ALA 173 Cb -0.14 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 2mfn s ALA 173 CO 0.21 0.44 -0.23 -1.54 0.00 0.00 0.00 175.76 174.63 2mfn s SER 174 N -1.62 2.83 0.81 0.00 1.04 -1.26 -3.98 113.70 111.52 2mfn s SER 174 Ca 0.09 -0.69 -0.12 0.00 0.48 0.00 0.00 55.95 55.71 2mfn s SER 174 Cb -0.10 -0.18 0.08 0.00 0.10 0.00 0.00 66.02 65.93 2mfn s SER 174 CO 0.04 0.12 1.18 -0.94 0.98 0.00 0.00 173.24 174.61 2mfn s SER 175 N -1.88 4.47 0.06 7.02 1.04 -1.19 -4.93 113.70 118.29 2mfn s SER 175 Ca 0.09 0.77 -0.33 0.00 0.48 0.00 0.00 55.95 56.97 2mfn s SER 175 Cb -0.10 -1.26 -0.12 0.00 0.10 0.00 0.00 66.02 64.65 2mfn s SER 175 CO 0.05 -1.93 1.79 0.29 0.98 0.00 0.00 173.24 174.41 2mfn n LYS 176 N -3.33 2.43 -1.88 4.02 5.02 -1.26 -4.65 118.16 118.50 2mfn n LYS 176 Ca 0.08 0.88 -0.36 0.00 -2.02 0.00 0.00 58.31 56.89 2mfn n LYS 176 Cb 0.61 -2.73 0.05 0.00 -0.02 0.00 0.00 35.03 32.94 2mfn n LYS 176 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2mfn s PRO 177 N 2.77 2.77 -0.10 1.97 0.05 -1.26 -4.81 135.00 136.37 2mfn s PRO 177 Ca 0.85 1.90 0.02 0.00 0.05 0.00 0.00 61.00 63.82 2mfn s PRO 177 Cb -0.60 -1.89 -0.01 0.00 0.05 0.00 0.00 34.50 32.04 2mfn s PRO 177 CO 0.42 -1.39 -0.17 0.08 0.05 0.00 0.00 177.00 175.99 2mfn s VAL 178 N -1.55 2.70 0.11 -0.36 1.01 -1.09 -5.00 120.40 116.23 2mfn s VAL 178 Ca 0.79 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 62.02 2mfn s VAL 178 Cb -0.33 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 2mfn s VAL 178 CO 0.36 0.55 -0.14 -0.94 0.00 0.00 0.00 175.10 174.93 2mfn s SER 179 N 0.15 1.88 0.07 3.32 1.04 -1.26 -2.18 113.70 116.72 2mfn s SER 179 Ca -0.09 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.55 2mfn s SER 179 Cb -0.15 -0.06 -0.04 0.00 0.10 0.00 0.00 66.02 65.87 2mfn s SER 179 CO 0.06 -0.15 -0.05 0.27 0.98 0.00 0.00 173.24 174.35 2mfn s ILE 180 N -2.07 0.43 -0.10 -1.02 -4.36 -0.39 -5.00 121.20 108.69 2mfn s ILE 180 Ca 0.07 -1.86 -0.05 0.00 -0.26 0.00 0.00 60.65 58.55 2mfn s ILE 180 Cb -0.05 -1.59 -0.04 0.00 1.25 0.00 0.00 42.46 42.03 2mfn s ILE 180 CO 0.02 -0.94 0.08 0.20 0.24 0.00 0.00 174.94 174.54 2mfn s ASN 181 N -2.97 5.87 -0.02 4.36 0.01 -1.26 -1.48 114.94 119.44 2mfn s ASN 181 Ca 0.09 0.32 0.00 0.00 -0.71 0.00 0.00 52.86 52.57 2mfn s ASN 181 Cb 0.07 -1.80 0.02 0.00 0.41 0.00 0.00 41.25 39.95 2mfn s ASN 181 CO -0.08 0.40 0.00 -0.47 -1.51 0.00 0.00 177.10 175.44 2mfn s TYR 182 N -0.96 0.26 -0.03 2.20 6.14 0.18 -4.90 117.35 120.23 2mfn s TYR 182 Ca 0.14 0.01 -0.14 0.00 0.64 0.00 0.00 57.07 57.72 2mfn s TYR 182 Cb -0.12 -0.35 -0.05 0.00 0.42 0.00 0.00 41.96 41.86 2mfn s TYR 182 CO 0.03 -0.11 0.38 -1.59 0.64 0.00 0.00 175.55 174.90 2mfn s LYS 183 N 0.87 3.93 0.00 4.97 -2.85 -1.26 0.16 119.74 125.56 2mfn s LYS 183 Ca -0.09 0.34 0.06 0.00 -1.00 0.00 0.00 55.97 55.28 2mfn s LYS 183 Cb -0.12 -3.25 0.05 0.00 -2.06 0.00 0.00 37.83 32.45 2mfn s LYS 183 CO -0.02 0.62 0.69 0.25 0.10 0.00 0.00 175.35 177.00