#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mfn n LEU 2 N 0.00 0.00 -3.66 0.99 4.77 -1.26 -5.07 117.00 112.77 1mfn n LEU 2 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 1mfn n LEU 2 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 1mfn n LEU 2 CO 0.00 0.00 0.18 -1.81 -1.33 0.00 0.00 177.39 174.43 1mfn s ASP 3 N 0.43 -0.73 0.66 -1.43 1.01 -1.26 -4.95 116.67 110.40 1mfn s ASP 3 Ca 0.00 1.26 0.04 0.00 0.71 0.00 0.00 52.55 54.55 1mfn s ASP 3 Cb 0.00 1.43 0.11 0.00 1.01 0.00 0.00 42.92 45.48 1mfn s ASP 3 CO 0.00 -0.22 0.91 -0.94 0.21 0.00 0.00 175.17 175.13 1mfn s SER 4 N 2.08 4.63 0.72 0.27 1.04 -1.26 -4.44 113.70 116.74 1mfn s SER 4 Ca -0.07 -0.58 -0.11 0.00 0.48 0.00 0.00 55.95 55.67 1mfn s SER 4 Cb -0.09 0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.19 1mfn s SER 4 CO -0.16 -1.67 1.09 -2.16 0.98 0.00 0.00 173.24 171.32 1mfn s PRO 5 N -4.95 2.78 0.29 4.02 0.04 -1.26 -4.57 135.00 131.34 1mfn s PRO 5 Ca 0.65 0.53 -0.20 0.00 0.04 0.00 0.00 61.00 62.02 1mfn s PRO 5 Cb -0.05 -2.01 0.05 0.00 0.04 0.00 0.00 34.50 32.53 1mfn s PRO 5 CO 0.42 -1.11 0.83 0.95 0.04 0.00 0.00 177.00 178.13 1mfn s THR 6 N -3.30 0.00 -0.44 1.26 -4.23 -1.26 -4.61 115.64 103.07 1mfn s THR 6 Ca 0.58 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 60.20 1mfn s THR 6 Cb -0.12 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.26 1mfn s THR 6 CO 0.52 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.21 1mfn n GLY 7 N -0.52 -0.23 0.00 3.99 0.00 -1.26 -4.62 105.19 102.55 1mfn n GLY 7 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1mfn n GLY 7 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1mfn n PHE 8 N -2.41 -1.08 -2.62 1.61 -1.74 -1.26 -4.91 117.46 105.05 1mfn n PHE 8 Ca -0.05 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.84 1mfn n PHE 8 Cb 0.43 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.43 1mfn n PHE 8 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 1mfn n ASP 9 N -0.73 0.00 -3.68 5.98 2.03 -0.59 -4.97 116.55 114.59 1mfn n ASP 9 Ca 0.00 -0.34 -0.14 0.00 0.52 0.00 0.00 54.79 54.84 1mfn n ASP 9 Cb 0.00 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.31 1mfn n ASP 9 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1mfn s SER 10 N 0.99 -0.53 0.00 1.67 0.01 -1.26 -0.87 113.70 113.71 1mfn s SER 10 Ca 0.00 0.95 0.00 0.00 1.31 0.00 0.00 55.95 58.21 1mfn s SER 10 Cb 0.00 0.96 0.00 0.00 0.21 0.00 0.00 66.02 67.19 1mfn s SER 10 CO 0.00 -0.25 0.00 -1.54 0.41 0.00 0.00 173.24 171.86 1mfn n SER 11 N 2.46 0.00 -3.98 2.44 3.41 -0.52 -4.85 113.62 112.58 1mfn n SER 11 Ca -0.15 -0.33 -0.32 0.00 -0.26 0.00 0.00 58.87 57.81 1mfn n SER 11 Cb 0.56 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.48 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 -0.77 -2.70 -4.69 4.04 8.00 -1.26 -0.83 116.55 118.34 1mfn n ASP 12 Ca 0.00 -0.81 -0.42 0.00 0.71 0.00 0.00 54.79 54.27 1mfn n ASP 12 Cb 0.00 -2.27 -0.03 0.00 -0.02 0.00 0.00 41.12 38.80 1mfn n ASP 12 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1mfn s ILE 13 N -3.07 3.62 0.50 0.53 -1.09 -1.26 -1.70 121.20 118.74 1mfn s ILE 13 Ca 0.63 1.03 0.02 0.00 -2.23 0.00 0.00 60.65 60.10 1mfn s ILE 13 Cb -0.35 -3.66 -0.02 0.00 -1.58 0.00 0.00 42.46 36.85 1mfn s ILE 13 CO 0.78 0.01 0.02 0.42 -1.23 0.00 0.00 174.94 174.94 1mfn s THR 14 N 2.27 1.25 -0.00 2.92 -4.23 0.89 -4.61 115.64 114.13 1mfn s THR 14 Ca 0.65 -1.97 -0.01 0.00 -1.18 0.00 0.00 61.69 59.18 1mfn s THR 14 Cb -0.33 -2.23 -0.00 0.00 1.34 0.00 0.00 72.50 71.29 1mfn s THR 14 CO 0.27 0.00 0.36 0.00 -0.54 0.00 0.00 174.62 174.72 1mfn h ALA 15 N 1.35 -0.36 -0.10 3.99 0.00 -1.79 0.64 119.26 122.99 1mfn h ALA 15 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1mfn h ALA 15 Cb 1.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1mfn h ALA 15 CO 0.74 -0.36 0.00 0.27 0.00 0.00 0.00 179.25 179.90 1mfn n ASN 16 N -2.13 0.59 -3.62 0.00 0.23 -1.26 -3.77 115.26 105.31 1mfn n ASN 16 Ca -0.00 -1.88 -0.12 0.00 -0.53 0.00 0.00 54.58 52.04 1mfn n ASN 16 Cb 0.01 -0.07 -0.05 0.00 -2.08 0.00 0.00 39.78 37.59 1mfn n ASN 16 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1mfn s SER 17 N -1.14 -0.33 -0.28 0.53 0.15 -1.24 -0.73 113.70 110.66 1mfn s SER 17 Ca 0.13 -0.05 -0.22 0.00 0.70 0.00 0.00 55.95 56.51 1mfn s SER 17 Cb 0.06 0.47 0.12 0.00 -1.71 0.00 0.00 66.02 64.96 1mfn s SER 17 CO 0.10 -0.75 0.96 0.72 1.20 0.00 0.00 173.24 175.46 1mfn s PHE 18 N -2.92 -0.58 0.36 3.44 -0.12 -0.88 0.30 117.98 117.58 1mfn s PHE 18 Ca -0.03 1.33 -0.10 0.00 -0.05 0.00 0.00 56.93 58.08 1mfn s PHE 18 Cb 0.00 0.37 -0.06 0.00 -0.63 0.00 0.00 43.02 42.70 1mfn s PHE 18 CO -0.06 -0.28 0.71 0.99 -0.05 0.00 0.00 175.22 176.53 1mfn s THR 19 N 0.58 4.84 -0.08 -4.49 2.01 -0.01 -1.71 115.64 116.77 1mfn s THR 19 Ca -0.01 0.52 -0.01 0.00 0.31 0.00 0.00 61.69 62.50 1mfn s THR 19 Cb -0.05 -3.71 0.03 0.00 0.01 0.00 0.00 72.50 68.78 1mfn s THR 19 CO -0.08 -0.42 -0.01 -0.69 -0.69 0.00 0.00 174.62 172.73 1mfn s VAL 20 N -2.24 0.50 0.32 3.82 1.01 -0.85 -1.43 120.40 121.52 1mfn s VAL 20 Ca 0.50 0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.56 1mfn s VAL 20 Cb -0.10 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 1mfn s VAL 20 CO 0.29 0.26 0.36 -1.00 0.00 0.00 0.00 175.10 175.00 1mfn s HIS 21 N 1.92 3.04 -0.30 5.22 3.76 -0.05 -1.74 115.29 127.15 1mfn s HIS 21 Ca 0.05 -0.23 -0.21 0.00 -0.15 0.00 0.00 55.06 54.51 1mfn s HIS 21 Cb -0.13 -1.82 0.19 0.00 1.11 0.00 0.00 32.58 31.94 1mfn s HIS 21 CO -0.06 0.16 1.32 1.67 -0.85 0.00 0.00 174.74 176.98 1mfn s TRP 22 N -2.22 -0.12 0.87 1.40 -2.14 0.20 -1.54 118.94 115.40 1mfn s TRP 22 Ca 0.41 0.27 -0.12 0.00 2.66 0.00 0.00 56.10 59.33 1mfn s TRP 22 Cb -0.08 0.30 0.11 0.00 -3.10 0.00 0.00 33.47 30.71 1mfn s TRP 22 CO 0.28 -0.06 1.11 0.08 -2.66 0.00 0.00 176.95 175.71 1mfn s VAL 23 N 0.51 2.50 0.34 -0.66 1.01 -1.26 -4.64 120.40 118.19 1mfn s VAL 23 Ca 0.00 0.16 0.07 0.00 0.00 0.00 0.00 61.98 62.21 1mfn s VAL 23 Cb -0.04 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 1mfn s VAL 23 CO -0.13 -0.21 0.41 0.00 0.00 0.00 0.00 175.10 175.17 1mfn s ALA 24 N -3.18 4.11 1.00 5.51 0.00 -1.26 -4.49 121.76 123.45 1mfn s ALA 24 Ca 0.63 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 51.05 1mfn s ALA 24 Cb -0.15 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.47 1mfn s ALA 24 CO 0.54 -0.03 0.00 -0.35 0.00 0.00 0.00 175.76 175.92 1mfn n PRO 25 N -1.56 0.63 -0.54 0.00 -0.04 -1.26 -4.91 135.00 127.33 1mfn n PRO 25 Ca -0.00 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.52 1mfn n PRO 25 Cb 0.59 0.00 0.19 0.00 -0.04 0.00 0.00 33.50 34.24 1mfn n PRO 25 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1mfn n ARG 26 N -0.34 1.49 -4.47 0.54 3.00 -1.26 -5.04 116.66 110.58 1mfn n ARG 26 Ca 0.00 -3.15 -0.23 0.00 -0.01 0.00 0.00 57.85 54.46 1mfn n ARG 26 Cb 0.00 -1.56 -0.09 0.00 0.00 0.00 0.00 32.46 30.81 1mfn n ARG 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1mfn s ALA 27 N -3.09 2.57 0.03 7.54 0.00 -1.26 -5.09 121.76 122.46 1mfn s ALA 27 Ca 0.37 -1.66 -0.30 0.00 0.00 0.00 0.00 51.96 50.37 1mfn s ALA 27 Cb 0.35 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 24.16 1mfn s ALA 27 CO -0.06 -0.33 1.04 -1.25 0.00 0.00 0.00 175.76 175.16 1mfn s PRO 28 N -3.83 4.54 0.24 0.00 0.04 -1.26 -5.03 135.00 129.70 1mfn s PRO 28 Ca 0.31 1.52 0.01 0.00 0.04 0.00 0.00 61.00 62.87 1mfn s PRO 28 Cb 0.06 -3.42 -0.05 0.00 0.04 0.00 0.00 34.50 31.13 1mfn s PRO 28 CO 0.15 -0.08 0.10 0.96 0.04 0.00 0.00 177.00 178.17 1mfn s ILE 29 N 0.93 0.40 -0.02 0.56 -4.36 -1.26 -4.83 121.20 112.62 1mfn s ILE 29 Ca 0.53 -2.00 0.14 0.00 -0.26 0.00 0.00 60.65 59.07 1mfn s ILE 29 Cb -0.24 -2.59 -0.22 0.00 1.25 0.00 0.00 42.46 40.66 1mfn s ILE 29 CO 0.29 -0.01 0.31 0.35 0.24 0.00 0.00 174.94 176.12 1mfn n THR 30 N -0.41 0.00 -0.93 8.37 -2.24 0.42 -4.89 114.28 114.60 1mfn n THR 30 Ca 0.01 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1mfn n THR 30 Cb 0.66 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 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 1.70 -0.67 3.61 3.38 0.00 -0.96 -4.23 105.19 108.02 1mfn n GLY 31 Ca -0.03 -0.50 -0.02 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.72 -1.13 -0.19 1.61 2.02 0.73 -3.28 117.35 113.40 1mfn s TYR 32 Ca 0.00 2.04 -0.24 0.00 -0.37 0.00 0.00 57.07 58.50 1mfn s TYR 32 Cb 0.00 0.68 -0.01 0.00 -0.40 0.00 0.00 41.96 42.22 1mfn s TYR 32 CO 0.00 -0.56 0.79 0.42 -1.57 0.00 0.00 175.55 174.63 1mfn s ILE 33 N 2.41 4.89 -0.34 2.71 -1.09 0.53 0.46 121.20 130.77 1mfn s ILE 33 Ca -0.07 1.53 -0.11 0.00 -2.23 0.00 0.00 60.65 59.78 1mfn s ILE 33 Cb -0.09 -4.10 -0.00 0.00 -1.58 0.00 0.00 42.46 36.69 1mfn s ILE 33 CO -0.19 0.02 0.19 -0.63 -1.23 0.00 0.00 174.94 173.10 1mfn s ILE 34 N 2.29 4.82 -0.01 2.92 -1.09 0.53 0.14 121.20 130.81 1mfn s ILE 34 Ca 0.36 -0.45 0.00 0.00 -2.23 0.00 0.00 60.65 58.32 1mfn s ILE 34 Cb -0.16 -3.52 -0.04 0.00 -1.58 0.00 0.00 42.46 37.16 1mfn s ILE 34 CO 0.11 -0.03 0.05 -0.60 -1.23 0.00 0.00 174.94 173.24 1mfn s ARG 35 N 1.64 2.97 -0.05 2.79 3.52 0.22 0.20 118.95 130.24 1mfn s ARG 35 Ca 0.05 -0.52 -0.04 0.00 -0.13 0.00 0.00 55.73 55.08 1mfn s ARG 35 Cb -0.18 -2.80 0.01 0.00 -1.56 0.00 0.00 34.95 30.43 1mfn s ARG 35 CO 0.08 0.64 0.13 -3.38 -0.81 0.00 0.00 175.30 171.96 1mfn s HIS 36 N -1.14 -0.14 -0.28 5.12 -3.43 -1.06 0.20 115.29 114.56 1mfn s HIS 36 Ca 0.21 0.33 -0.27 0.00 -0.80 0.00 0.00 55.06 54.54 1mfn s HIS 36 Cb -0.12 0.05 0.18 0.00 -1.43 0.00 0.00 32.58 31.25 1mfn s HIS 36 CO 0.12 -0.07 1.31 -3.38 -2.00 0.00 0.00 174.74 170.72 1mfn s HIS 37 N 0.05 -0.14 1.12 0.38 -3.43 -0.35 -3.45 115.29 109.46 1mfn s HIS 37 Ca -0.00 0.30 -0.13 0.00 -0.80 0.00 0.00 55.06 54.43 1mfn s HIS 37 Cb -0.01 0.47 0.26 0.00 -1.43 0.00 0.00 32.58 31.87 1mfn s HIS 37 CO 0.00 -0.09 1.05 0.00 -2.00 0.00 0.00 174.74 173.70 1mfn s ALA 38 N -0.41 0.02 0.07 -1.38 0.00 -1.25 -0.66 121.76 118.14 1mfn s ALA 38 Ca 0.06 -0.31 0.13 0.00 0.00 0.00 0.00 51.96 51.84 1mfn s ALA 38 Cb -0.03 -3.16 0.19 0.00 0.00 0.00 0.00 23.12 20.12 1mfn s ALA 38 CO -0.10 -3.53 1.50 1.05 0.00 0.00 0.00 175.76 174.68 1mfn h GLU 39 N -2.41 0.00 0.00 0.00 9.09 -1.91 -3.24 114.58 116.11 1mfn h GLU 39 Ca -0.59 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.82 1mfn h GLU 39 Cb 1.34 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.44 1mfn h GLU 39 CO 0.53 0.63 -0.00 0.72 0.05 0.00 0.00 179.01 180.93 1mfn n HIS 40 N -3.43 0.00 -3.53 2.06 8.25 -1.26 -4.90 115.22 112.41 1mfn n HIS 40 Ca 0.00 -0.54 -0.41 0.00 -0.26 0.00 0.00 57.72 56.50 1mfn n HIS 40 Cb 0.72 -0.06 -0.07 0.00 1.12 0.00 0.00 29.99 31.70 1mfn n HIS 40 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1mfn s SER 41 N -1.17 5.90 -0.29 0.41 1.04 -1.22 -4.87 113.70 113.50 1mfn s SER 41 Ca 0.03 -2.49 0.09 0.00 0.48 0.00 0.00 55.95 54.05 1mfn s SER 41 Cb 0.03 -2.03 0.48 0.00 0.10 0.00 0.00 66.02 64.60 1mfn s SER 41 CO 0.00 -0.55 1.41 0.52 0.98 0.00 0.00 173.24 175.60 1mfn n VAL 42 N 4.11 2.52 -0.10 5.02 0.31 -1.26 -3.90 118.33 125.03 1mfn n VAL 42 Ca 0.04 -3.01 -0.16 0.00 -0.01 0.00 0.00 64.34 61.21 1mfn n VAL 42 Cb 0.42 -0.40 -0.09 0.00 -0.91 0.00 0.00 33.84 32.86 1mfn n VAL 42 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1mfn n GLY 43 N -1.09 -0.30 2.56 2.92 0.00 -1.26 -4.70 105.19 103.33 1mfn n GLY 43 Ca 0.32 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.28 3.18 -2.44 1.61 1.74 -1.26 -5.05 116.66 111.16 1mfn n ARG 44 Ca -0.37 -4.44 -0.43 0.00 -0.77 0.00 0.00 57.85 51.84 1mfn n ARG 44 Cb 0.86 -2.16 -0.02 0.00 -1.02 0.00 0.00 32.46 30.12 1mfn n ARG 44 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1mfn s PRO 45 N -3.48 4.28 0.31 5.56 0.04 -1.26 -5.01 135.00 135.43 1mfn s PRO 45 Ca 0.46 1.67 0.11 0.00 0.04 0.00 0.00 61.00 63.28 1mfn s PRO 45 Cb 0.39 -3.69 -0.06 0.00 0.04 0.00 0.00 34.50 31.18 1mfn s PRO 45 CO -0.16 -0.61 -0.15 -0.98 0.04 0.00 0.00 177.00 175.14 1mfn s ARG 46 N 3.02 1.75 -0.15 4.56 1.70 -1.22 -5.05 118.95 123.55 1mfn s ARG 46 Ca 0.55 -1.84 0.00 0.00 -0.47 0.00 0.00 55.73 53.97 1mfn s ARG 46 Cb -0.23 -1.75 0.03 0.00 -0.57 0.00 0.00 34.95 32.44 1mfn s ARG 46 CO 0.17 0.24 -0.10 -0.65 -1.08 0.00 0.00 175.30 173.89 1mfn s GLN 47 N -3.56 1.85 -0.25 3.89 1.11 -1.26 -2.57 119.66 118.86 1mfn s GLN 47 Ca 0.31 -0.51 -0.10 0.00 0.01 0.00 0.00 55.36 55.07 1mfn s GLN 47 Cb -0.02 -1.98 -0.05 0.00 -1.01 0.00 0.00 33.01 29.95 1mfn s GLN 47 CO 0.16 -0.32 0.15 -0.51 0.01 0.00 0.00 175.29 174.78 1mfn s ASP 48 N 1.57 5.93 -0.08 5.90 1.01 0.53 -4.90 116.67 126.64 1mfn s ASP 48 Ca 0.03 0.02 -0.09 0.00 0.71 0.00 0.00 52.55 53.23 1mfn s ASP 48 Cb -0.14 -2.08 -0.04 0.00 1.01 0.00 0.00 42.92 41.67 1mfn s ASP 48 CO -0.09 0.02 0.22 -0.13 0.21 0.00 0.00 175.17 175.39 1mfn s ARG 49 N 1.35 3.57 0.23 8.23 1.81 -1.26 0.20 118.95 133.07 1mfn s ARG 49 Ca 0.07 0.00 0.09 0.00 -1.72 0.00 0.00 55.73 54.17 1mfn s ARG 49 Cb -0.15 -3.19 -0.05 0.00 -0.45 0.00 0.00 34.95 31.12 1mfn s ARG 49 CO 0.07 0.75 -0.17 0.14 -0.68 0.00 0.00 175.30 175.40 1mfn s VAL 50 N -1.07 2.01 0.96 3.52 -7.23 0.17 -4.84 120.40 113.92 1mfn s VAL 50 Ca 0.18 -2.26 -0.15 0.00 -1.81 0.00 0.00 61.98 57.95 1mfn s VAL 50 Cb -0.13 -2.12 0.17 0.00 0.56 0.00 0.00 36.38 34.86 1mfn s VAL 50 CO 0.08 -0.50 1.21 -2.16 -0.31 0.00 0.00 175.10 173.42 1mfn s PRO 51 N -3.52 0.74 0.29 4.82 0.04 -1.26 -0.19 135.00 135.91 1mfn s PRO 51 Ca 0.25 -0.08 0.26 0.00 0.04 0.00 0.00 61.00 61.46 1mfn s PRO 51 Cb -0.03 -1.83 0.81 0.00 0.04 0.00 0.00 34.50 33.50 1mfn s PRO 51 CO 0.10 -2.40 1.75 -1.00 0.04 0.00 0.00 177.00 175.49 1mfn h PRO 52 N -1.64 0.00 -0.87 0.56 0.13 -1.82 -3.11 132.00 125.25 1mfn h PRO 52 Ca -0.46 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.28 1mfn h PRO 52 Cb 1.29 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.18 1mfn h PRO 52 CO 0.49 0.00 0.48 0.45 -0.23 0.00 0.00 178.00 179.19 1mfn n SER 53 N -2.47 4.09 -3.86 1.44 2.88 -1.26 -4.86 113.62 109.58 1mfn n SER 53 Ca 0.04 -3.48 -0.27 0.00 -1.33 0.00 0.00 58.87 53.83 1mfn n SER 53 Cb 0.39 -0.80 -0.17 0.00 -0.75 0.00 0.00 64.21 62.89 1mfn n SER 53 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1mfn s ARG 54 N -3.19 1.26 0.00 -1.46 1.81 -1.18 -4.97 118.95 111.23 1mfn s ARG 54 Ca 0.56 -0.35 0.19 0.00 -1.72 0.00 0.00 55.73 54.41 1mfn s ARG 54 Cb 0.46 -1.75 -0.05 0.00 -0.45 0.00 0.00 34.95 33.16 1mfn s ARG 54 CO 0.11 -0.39 0.92 0.27 -0.68 0.00 0.00 175.30 175.54 1mfn n ASN 55 N 4.95 1.60 -3.80 0.23 0.23 -1.26 -4.82 115.26 112.39 1mfn n ASN 55 Ca -0.11 -1.30 -0.15 0.00 -0.53 0.00 0.00 54.58 52.49 1mfn n ASN 55 Cb 0.49 0.60 -0.16 0.00 -2.08 0.00 0.00 39.78 38.63 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 -2.31 0.18 -0.12 0.53 1.04 -1.26 -0.62 113.70 111.14 1mfn s SER 56 Ca 0.14 0.01 0.02 0.00 0.48 0.00 0.00 55.95 56.60 1mfn s SER 56 Cb 0.15 -0.11 0.01 0.00 0.10 0.00 0.00 66.02 66.17 1mfn s SER 56 CO 0.55 -0.11 -0.18 -0.51 0.98 0.00 0.00 173.24 173.98 1mfn s ILE 57 N 0.96 1.71 -0.45 -1.02 2.07 -0.71 -4.91 121.20 118.84 1mfn s ILE 57 Ca -0.09 -0.77 -0.23 0.00 -1.41 0.00 0.00 60.65 58.16 1mfn s ILE 57 Cb -0.12 -1.54 0.03 0.00 0.13 0.00 0.00 42.46 40.95 1mfn s ILE 57 CO -0.02 0.48 0.77 -0.89 -1.91 0.00 0.00 174.94 173.37 1mfn s THR 58 N 0.95 4.66 0.50 4.00 2.01 -1.26 -2.02 115.64 124.49 1mfn s THR 58 Ca -0.06 0.39 -0.08 0.00 0.31 0.00 0.00 61.69 62.25 1mfn s THR 58 Cb -0.15 -4.32 -0.05 0.00 0.01 0.00 0.00 72.50 68.00 1mfn s THR 58 CO -0.02 -0.72 0.86 -0.76 -0.69 0.00 0.00 174.62 173.29 1mfn s LEU 59 N 3.25 3.57 0.31 4.42 1.02 -0.70 -4.89 118.68 125.67 1mfn s LEU 59 Ca 0.29 1.13 -0.08 0.00 0.02 0.00 0.00 54.13 55.49 1mfn s LEU 59 Cb -0.12 -4.09 0.01 0.00 0.02 0.00 0.00 46.19 42.00 1mfn s LEU 59 CO 0.22 -0.62 0.51 0.42 0.02 0.00 0.00 176.35 176.91 1mfn s THR 60 N -2.77 0.00 -1.46 5.49 -4.23 -1.26 -2.07 115.64 109.34 1mfn s THR 60 Ca 0.51 -1.46 -0.11 0.00 -1.18 0.00 0.00 61.69 59.45 1mfn s THR 60 Cb -0.10 -2.52 0.07 0.00 1.34 0.00 0.00 72.50 71.29 1mfn s THR 60 CO 0.44 0.00 0.76 0.59 -0.54 0.00 0.00 174.62 175.86 1mfn n ASN 61 N -1.02 -4.58 -4.74 3.99 4.13 0.09 -4.87 115.26 108.26 1mfn n ASN 61 Ca -0.01 -0.59 -0.22 0.00 1.68 0.00 0.00 54.58 55.43 1mfn n ASN 61 Cb 0.62 -3.70 -0.06 0.00 -1.54 0.00 0.00 39.78 35.10 1mfn n ASN 61 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1mfn s LEU 62 N -6.93 3.47 -0.22 3.41 1.43 -0.60 -5.02 118.68 114.21 1mfn s LEU 62 Ca 0.53 -0.51 -0.33 0.00 -1.03 0.00 0.00 54.13 52.80 1mfn s LEU 62 Cb -0.27 -1.99 -0.10 0.00 0.03 0.00 0.00 46.19 43.86 1mfn s LEU 62 CO 0.66 -0.09 2.10 0.59 0.23 0.00 0.00 176.35 179.84 1mfn n ASN 63 N -1.08 2.91 -4.68 2.29 3.02 -1.26 -4.42 115.26 112.05 1mfn n ASN 63 Ca -0.06 0.53 -0.42 0.00 -0.03 0.00 0.00 54.58 54.60 1mfn n ASN 63 Cb 0.59 -1.39 -0.03 0.00 -0.61 0.00 0.00 39.78 38.35 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 5.57 4.30 0.00 3.52 0.04 -1.25 -3.87 135.00 143.31 1mfn s PRO 64 Ca 1.01 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.80 1mfn s PRO 64 Cb -0.64 -3.63 0.00 0.00 0.04 0.00 0.00 34.50 30.27 1mfn s PRO 64 CO 0.46 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 177.35 1mfn n GLY 65 N 3.51 0.43 3.24 0.56 0.00 1.07 -4.58 105.19 109.42 1mfn n GLY 65 Ca 0.12 -0.32 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.87 -0.66 0.18 2.61 2.01 -1.01 -4.94 115.64 110.97 1mfn s THR 66 Ca 0.00 0.14 -0.30 0.00 0.31 0.00 0.00 61.69 61.84 1mfn s THR 66 Cb 0.00 -0.69 -0.08 0.00 0.01 0.00 0.00 72.50 71.74 1mfn s THR 66 CO 0.00 0.05 1.12 -0.70 -0.69 0.00 0.00 174.62 174.40 1mfn s GLU 67 N 2.61 4.57 0.34 4.92 2.12 -1.26 -1.22 118.70 130.78 1mfn s GLU 67 Ca -0.00 1.76 -0.10 0.00 0.36 0.00 0.00 54.97 56.99 1mfn s GLU 67 Cb -0.12 -3.27 0.02 0.00 0.26 0.00 0.00 34.13 31.02 1mfn s GLU 67 CO -0.13 0.04 0.60 1.52 -0.54 0.00 0.00 175.26 176.74 1mfn s TYR 68 N -0.22 0.55 0.11 5.30 -0.85 0.48 -4.37 117.35 118.34 1mfn s TYR 68 Ca 0.50 -0.96 0.05 0.00 -0.52 0.00 0.00 57.07 56.13 1mfn s TYR 68 Cb -0.30 0.32 -0.04 0.00 0.38 0.00 0.00 41.96 42.32 1mfn s TYR 68 CO 0.35 -1.26 0.05 0.08 -1.52 0.00 0.00 175.55 173.26 1mfn s VAL 69 N -3.03 4.25 -0.04 -3.49 1.01 0.17 -0.69 120.40 118.57 1mfn s VAL 69 Ca 0.23 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.24 1mfn s VAL 69 Cb -0.02 -3.08 0.02 0.00 0.00 0.00 0.00 36.38 33.30 1mfn s VAL 69 CO 0.14 0.05 -0.07 -0.69 0.00 0.00 0.00 175.10 174.54 1mfn s VAL 70 N -1.47 0.69 0.20 2.92 1.01 -1.03 -1.22 120.40 121.50 1mfn s VAL 70 Ca 0.28 -0.23 0.07 0.00 0.00 0.00 0.00 61.98 62.10 1mfn s VAL 70 Cb -0.11 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1mfn s VAL 70 CO 0.21 0.25 0.08 -0.94 0.00 0.00 0.00 175.10 174.70 1mfn s SER 71 N 0.73 5.14 -0.36 3.32 1.04 0.52 -0.98 113.70 123.10 1mfn s SER 71 Ca -0.11 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1mfn s SER 71 Cb -0.14 -1.21 0.13 0.00 0.10 0.00 0.00 66.02 64.90 1mfn s SER 71 CO 0.01 0.05 0.19 -0.63 0.98 0.00 0.00 173.24 173.84 1mfn s ILE 72 N -1.89 0.60 0.19 -1.02 -1.09 -0.32 0.70 121.20 118.38 1mfn s ILE 72 Ca 0.30 -1.81 -0.25 0.00 -2.23 0.00 0.00 60.65 56.66 1mfn s ILE 72 Cb -0.09 -1.44 -0.08 0.00 -1.58 0.00 0.00 42.46 39.27 1mfn s ILE 72 CO 0.22 -0.89 0.79 -0.63 -1.23 0.00 0.00 174.94 173.20 1mfn s ILE 73 N 1.05 4.36 0.27 2.92 -1.09 0.38 -1.77 121.20 127.32 1mfn s ILE 73 Ca 0.16 1.69 0.01 0.00 -2.23 0.00 0.00 60.65 60.28 1mfn s ILE 73 Cb -0.22 -4.11 -0.04 0.00 -1.58 0.00 0.00 42.46 36.51 1mfn s ILE 73 CO -0.07 0.46 0.45 0.00 -1.23 0.00 0.00 174.94 174.55 1mfn s ALA 74 N -1.23 3.79 -0.12 9.38 0.00 -1.26 0.20 121.76 132.52 1mfn s ALA 74 Ca 0.38 -0.94 -0.10 0.00 0.00 0.00 0.00 51.96 51.31 1mfn s ALA 74 Cb -0.22 -1.99 0.04 0.00 0.00 0.00 0.00 23.12 20.94 1mfn s ALA 74 CO 0.26 0.21 0.31 0.14 0.00 0.00 0.00 175.76 176.68 1mfn s VAL 75 N -2.08 -0.01 -0.32 0.00 -7.23 -1.20 -3.61 120.40 105.94 1mfn s VAL 75 Ca 0.38 0.04 0.16 0.00 -1.81 0.00 0.00 61.98 60.76 1mfn s VAL 75 Cb -0.10 -0.45 0.47 0.00 0.56 0.00 0.00 36.38 36.85 1mfn s VAL 75 CO 0.32 0.02 1.04 -3.20 -0.31 0.00 0.00 175.10 172.97 1mfn n ASN 76 N 3.37 2.29 0.00 4.85 4.05 -1.26 0.16 115.26 128.72 1mfn n ASN 76 Ca -0.17 -2.77 0.00 0.00 0.45 0.00 0.00 54.58 52.09 1mfn n ASN 76 Cb 0.56 -0.49 0.00 0.00 1.23 0.00 0.00 39.78 41.09 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 -0.33 0.77 0.23 8.20 0.00 -1.26 -4.23 105.19 108.57 1mfn n GLY 77 Ca 0.16 -0.72 0.03 0.00 0.00 0.00 0.00 46.02 45.49 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 0.18 -0.97 1.61 0.00 -1.26 -5.02 116.66 111.20 1mfn n ARG 78 Ca 0.00 -0.95 -0.04 0.00 -0.00 0.00 0.00 57.85 56.86 1mfn n ARG 78 Cb 0.00 -1.11 0.02 0.00 0.00 0.00 0.00 32.46 31.37 1mfn n ARG 78 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1mfn n GLU 79 N 0.26 0.51 -2.94 -0.14 4.71 -1.26 -5.11 120.64 116.68 1mfn n GLU 79 Ca 0.03 -0.47 0.02 0.00 -0.01 0.00 0.00 57.16 56.74 1mfn n GLU 79 Cb 0.16 -0.11 0.00 0.00 -1.01 0.00 0.00 31.44 30.48 1mfn n GLU 79 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1mfn s GLU 80 N -2.83 0.35 1.36 3.49 2.02 -1.26 -4.17 118.70 117.65 1mfn s GLU 80 Ca 0.11 -0.06 -0.22 0.00 0.02 0.00 0.00 54.97 54.82 1mfn s GLU 80 Cb -0.01 0.05 0.35 0.00 0.10 0.00 0.00 34.13 34.63 1mfn s GLU 80 CO 0.08 -0.52 0.79 0.43 0.02 0.00 0.00 175.26 176.06 1mfn n SER 81 N 4.10 -4.02 -4.80 -0.19 7.64 -1.24 -4.94 113.62 110.17 1mfn n SER 81 Ca 0.07 -0.80 -0.34 0.00 1.01 0.00 0.00 58.87 58.81 1mfn n SER 81 Cb 0.61 -0.92 -0.03 0.00 -1.01 0.00 0.00 64.21 62.86 1mfn n SER 81 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1mfn s PRO 82 N -4.87 3.73 0.34 1.43 0.04 -1.26 -4.41 135.00 130.00 1mfn s PRO 82 Ca 0.61 1.37 -0.26 0.00 0.04 0.00 0.00 61.00 62.76 1mfn s PRO 82 Cb -0.11 -2.08 -0.09 0.00 0.04 0.00 0.00 34.50 32.25 1mfn s PRO 82 CO 0.51 -0.49 1.00 -1.25 0.04 0.00 0.00 177.00 176.81 1mfn s PRO 83 N -3.30 4.46 -0.59 0.56 0.04 -1.26 -4.35 135.00 130.56 1mfn s PRO 83 Ca 0.67 1.47 -0.06 0.00 0.04 0.00 0.00 61.00 63.12 1mfn s PRO 83 Cb -0.17 -2.79 0.15 0.00 0.04 0.00 0.00 34.50 31.74 1mfn s PRO 83 CO 0.22 0.14 0.43 -1.17 0.04 0.00 0.00 177.00 176.66 1mfn s LEU 84 N -2.13 5.55 -0.10 -3.56 2.96 -0.73 -4.85 118.68 115.83 1mfn s LEU 84 Ca 0.52 -2.53 -0.06 0.00 -0.22 0.00 0.00 54.13 51.83 1mfn s LEU 84 Cb -0.22 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 1mfn s LEU 84 CO 0.28 -0.49 0.14 -0.63 -1.32 0.00 0.00 176.35 174.34 1mfn s ILE 85 N 0.42 5.46 0.00 6.68 1.01 -1.26 -1.17 121.20 132.34 1mfn s ILE 85 Ca 0.14 0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.91 1mfn s ILE 85 Cb -0.20 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 38.86 1mfn s ILE 85 CO -0.04 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.07 1mfn n GLY 86 N 1.78 4.83 3.09 6.18 0.00 -0.16 -4.96 105.19 115.97 1mfn n GLY 86 Ca -0.18 -1.64 -0.22 0.00 0.00 0.00 0.00 46.02 43.98 1mfn n GLY 86 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mfn s GLN 87 N -0.52 1.06 0.00 1.61 -0.21 -1.26 -2.46 119.66 117.88 1mfn s GLN 87 Ca 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 55.36 54.91 1mfn s GLN 87 Cb 0.00 -1.03 0.00 0.00 1.00 0.00 0.00 33.01 32.98 1mfn s GLN 87 CO 0.00 0.28 0.00 0.94 -2.12 0.00 0.00 175.29 174.39 1mfn n GLN 88 N 2.76 0.00 -3.64 2.91 -0.06 0.13 -4.95 117.38 114.52 1mfn n GLN 88 Ca -0.14 0.00 -0.04 0.00 -2.00 0.00 0.00 57.00 54.82 1mfn n GLN 88 Cb 0.55 0.00 -0.07 0.00 -4.06 0.00 0.00 30.24 26.67 1mfn n GLN 88 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1mfn s ALA 89 N -1.29 -2.11 0.25 1.69 0.00 -1.26 -0.39 121.76 118.66 1mfn s ALA 89 Ca 0.00 2.29 -0.30 0.00 0.00 0.00 0.00 51.96 53.95 1mfn s ALA 89 Cb 0.00 -1.59 -0.09 0.00 0.00 0.00 0.00 23.12 21.44 1mfn s ALA 89 CO 0.00 -0.36 1.15 0.95 0.00 0.00 0.00 175.76 177.50 1mfn s THR 90 N 1.43 3.45 0.00 0.00 -4.23 -0.35 -4.87 115.64 111.07 1mfn s THR 90 Ca -0.09 1.37 0.00 0.00 -1.18 0.00 0.00 61.69 61.79 1mfn s THR 90 Cb -0.04 -3.87 0.00 0.00 1.34 0.00 0.00 72.50 69.92 1mfn s THR 90 CO -0.17 0.29 0.00 0.52 -0.54 0.00 0.00 174.62 174.73 1mfn n VAL 91 N 1.59 0.00 -4.42 2.29 0.31 0.22 -2.40 118.33 115.93 1mfn n VAL 91 Ca 0.01 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.12 1mfn n VAL 91 Cb 0.44 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.29 1mfn n VAL 91 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1mfn s SER 92 N -1.85 2.19 0.00 4.52 0.15 -1.26 0.35 113.70 117.80 1mfn s SER 92 Ca 0.00 -1.64 0.00 0.00 0.70 0.00 0.00 55.95 55.01 1mfn s SER 92 Cb 0.00 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 1mfn s SER 92 CO 0.00 -0.92 0.00 -0.67 1.20 0.00 0.00 173.24 172.85 1mfn n ASP 93 N -1.20 0.00 -4.75 5.45 -0.08 -1.26 -4.22 116.55 110.49 1mfn n ASP 93 Ca -0.01 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 52.92 1mfn n ASP 93 Cb 0.65 0.22 -0.08 0.00 2.34 0.00 0.00 41.12 44.24 1mfn n ASP 93 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1mfn s ILE 94 N -1.60 4.67 -1.37 5.18 1.01 -1.26 -4.57 121.20 123.25 1mfn s ILE 94 Ca 0.00 -0.21 -0.15 0.00 0.00 0.00 0.00 60.65 60.29 1mfn s ILE 94 Cb 0.00 -3.03 0.02 0.00 0.01 0.00 0.00 42.46 39.46 1mfn s ILE 94 CO 0.00 0.53 2.17 -0.81 0.00 0.00 0.00 174.94 176.83 1mfn n PRO 95 N 1.81 2.70 0.00 2.79 -0.04 -1.26 -4.89 135.00 136.11 1mfn n PRO 95 Ca -0.17 -2.54 0.00 0.00 -0.04 0.00 0.00 63.50 60.75 1mfn n PRO 95 Cb 0.54 -3.26 0.00 0.00 -0.04 0.00 0.00 33.50 30.74 1mfn n PRO 95 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1mfn n ARG 96 N 6.32 -0.29 -1.08 0.54 1.85 -1.26 -3.96 116.66 118.78 1mfn n ARG 96 Ca 0.52 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 57.34 1mfn n ARG 96 Cb 0.40 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.79 1mfn n ARG 96 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1mfn n ASP 97 N -1.60 -5.28 -4.56 2.89 9.92 -1.26 -2.83 116.55 113.83 1mfn n ASP 97 Ca 0.00 0.07 -0.20 0.00 -0.53 0.00 0.00 54.79 54.13 1mfn n ASP 97 Cb 0.00 -3.01 -0.06 0.00 -0.64 0.00 0.00 41.12 37.40 1mfn n ASP 97 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1mfn n LEU 98 N -0.30 1.85 -4.35 0.64 7.94 -1.25 -4.12 117.00 117.40 1mfn n LEU 98 Ca -0.03 -1.20 -0.19 0.00 -1.11 0.00 0.00 56.01 53.49 1mfn n LEU 98 Cb 0.41 -1.61 -0.10 0.00 0.53 0.00 0.00 43.42 42.65 1mfn n LEU 98 CO 0.04 -2.31 -0.43 -1.83 -1.11 0.00 0.00 177.39 171.74 1mfn s GLU 99 N 8.72 1.35 -0.11 1.96 -1.05 -1.06 -4.92 118.70 123.59 1mfn s GLU 99 Ca 0.96 -1.61 -0.04 0.00 -0.15 0.00 0.00 54.97 54.13 1mfn s GLU 99 Cb -0.17 -1.12 -0.04 0.00 -0.44 0.00 0.00 34.13 32.36 1mfn s GLU 99 CO 0.15 0.17 0.05 0.54 0.95 0.00 0.00 175.26 177.11 1mfn s VAL 100 N -2.98 4.70 0.00 1.83 0.11 -1.26 -2.00 120.40 120.80 1mfn s VAL 100 Ca 0.23 -0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.19 1mfn s VAL 100 Cb -0.00 -3.02 0.00 0.00 -1.53 0.00 0.00 36.38 31.83 1mfn s VAL 100 CO 0.07 0.59 0.00 2.30 -3.33 0.00 0.00 175.10 174.73 1mfn n ILE 101 N 2.31 0.00 -3.54 7.04 -5.35 -0.80 -4.87 119.36 114.15 1mfn n ILE 101 Ca -0.19 -0.37 -0.28 0.00 -0.27 0.00 0.00 62.75 61.64 1mfn n ILE 101 Cb 0.54 0.93 -0.11 0.00 -1.74 0.00 0.00 39.64 39.26 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 -0.96 1.93 -0.81 -1.28 0.00 -1.26 -4.95 121.76 114.44 1mfn s ALA 102 Ca 0.00 -2.70 -0.22 0.00 0.00 0.00 0.00 51.96 49.04 1mfn s ALA 102 Cb 0.00 -1.74 0.08 0.00 0.00 0.00 0.00 23.12 21.45 1mfn s ALA 102 CO 0.00 -2.02 1.14 -1.12 0.00 0.00 0.00 175.76 173.76 1mfn s SER 103 N -0.12 6.36 0.31 0.00 0.01 -1.26 -1.38 113.70 117.60 1mfn s SER 103 Ca 0.28 -1.29 0.02 0.00 1.31 0.00 0.00 55.95 56.27 1mfn s SER 103 Cb -0.04 -2.46 -0.03 0.00 0.21 0.00 0.00 66.02 63.70 1mfn s SER 103 CO -0.15 -1.41 0.48 0.42 0.41 0.00 0.00 173.24 172.99 1mfn s THR 104 N 4.09 5.16 -1.83 1.44 -4.23 0.97 -4.96 115.64 116.29 1mfn s THR 104 Ca 0.31 -0.62 0.16 0.00 -1.18 0.00 0.00 61.69 60.37 1mfn s THR 104 Cb -0.09 -3.85 0.42 0.00 1.34 0.00 0.00 72.50 70.31 1mfn s THR 104 CO 0.02 -0.47 1.42 -0.81 -0.54 0.00 0.00 174.62 174.24 1mfn n PRO 105 N -1.60 0.43 -0.05 3.99 -0.04 -1.26 -2.71 135.00 133.77 1mfn n PRO 105 Ca -0.06 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 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 -1.09 0.00 -3.65 0.52 -2.24 -1.26 -4.12 114.28 102.44 1mfn n THR 106 Ca 0.11 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.85 1mfn n THR 106 Cb 0.08 0.73 -0.01 0.00 -2.10 0.00 0.00 70.33 69.02 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 -0.07 -0.20 0.02 3.42 1.04 -1.10 -2.87 113.70 113.94 1mfn s SER 107 Ca 0.00 -0.22 -0.03 0.00 0.48 0.00 0.00 55.95 56.18 1mfn s SER 107 Cb 0.00 0.38 -0.01 0.00 0.10 0.00 0.00 66.02 66.48 1mfn s SER 107 CO 0.00 -0.67 0.03 -0.76 0.98 0.00 0.00 173.24 172.82 1mfn s LEU 108 N -2.77 2.00 -0.29 2.42 1.43 0.52 -0.02 118.68 121.97 1mfn s LEU 108 Ca 0.10 -0.43 -0.08 0.00 -1.03 0.00 0.00 54.13 52.69 1mfn s LEU 108 Cb -0.00 0.32 -0.01 0.00 0.03 0.00 0.00 46.19 46.53 1mfn s LEU 108 CO -0.02 -0.35 0.11 -0.22 0.23 0.00 0.00 176.35 176.09 1mfn s LEU 109 N -1.55 3.86 0.06 1.79 2.96 -0.48 0.32 118.68 125.63 1mfn s LEU 109 Ca -0.14 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.26 1mfn s LEU 109 Cb -0.08 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 1mfn s LEU 109 CO -0.01 -0.16 0.15 0.27 -1.32 0.00 0.00 176.35 175.28 1mfn s ILE 110 N 1.57 5.03 -0.20 6.68 -4.36 0.01 -1.90 121.20 128.02 1mfn s ILE 110 Ca 0.04 -0.51 -0.09 0.00 -0.26 0.00 0.00 60.65 59.83 1mfn s ILE 110 Cb -0.17 -3.42 0.08 0.00 1.25 0.00 0.00 42.46 40.20 1mfn s ILE 110 CO 0.04 0.16 0.45 -0.55 0.24 0.00 0.00 174.94 175.29 1mfn s SER 111 N -2.37 -0.48 0.01 4.36 0.15 -0.85 -0.20 113.70 114.32 1mfn s SER 111 Ca 0.31 1.04 0.00 0.00 0.70 0.00 0.00 55.95 58.00 1mfn s SER 111 Cb -0.13 1.17 -0.00 0.00 -1.71 0.00 0.00 66.02 65.35 1mfn s SER 111 CO 0.24 -0.22 0.00 -2.67 1.20 0.00 0.00 173.24 171.80 1mfn n TRP 112 N 4.82 0.01 -4.01 3.44 2.14 -1.04 -2.56 117.44 120.24 1mfn n TRP 112 Ca -0.16 -0.04 -0.24 0.00 2.07 0.00 0.00 57.50 59.14 1mfn n TRP 112 Cb 0.53 -0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.99 1mfn n TRP 112 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 1mfn s GLU 113 N -2.02 3.25 -0.18 -2.67 2.02 -1.13 -4.80 118.70 113.17 1mfn s GLU 113 Ca 0.00 -0.78 -0.29 0.00 0.02 0.00 0.00 54.97 53.92 1mfn s GLU 113 Cb 0.00 -2.81 -0.00 0.00 0.10 0.00 0.00 34.13 31.42 1mfn s GLU 113 CO 0.00 0.46 1.11 -1.25 0.02 0.00 0.00 175.26 175.60 1mfn s PRO 114 N -3.57 4.29 0.26 0.39 0.04 -1.26 -4.69 135.00 130.46 1mfn s PRO 114 Ca 0.33 1.47 -0.30 0.00 0.04 0.00 0.00 61.00 62.55 1mfn s PRO 114 Cb -0.10 -3.65 -0.09 0.00 0.04 0.00 0.00 34.50 30.71 1mfn s PRO 114 CO 0.27 -0.58 1.00 -1.25 0.04 0.00 0.00 177.00 176.49 1mfn s PRO 115 N 2.97 4.78 0.00 0.56 0.04 -1.26 -4.92 135.00 137.17 1mfn s PRO 115 Ca 0.49 1.61 0.15 0.00 0.04 0.00 0.00 61.00 63.29 1mfn s PRO 115 Cb -0.18 -3.24 0.74 0.00 0.04 0.00 0.00 34.50 31.85 1mfn s PRO 115 CO 0.12 0.40 1.42 0.00 0.04 0.00 0.00 177.00 178.98 1mfn n ALA 116 N 1.37 1.82 -2.00 8.56 0.00 -1.26 -4.72 120.51 124.29 1mfn n ALA 116 Ca -0.02 -0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.13 1mfn n ALA 116 Cb 0.46 -1.24 0.09 0.00 0.00 0.00 0.00 19.45 18.76 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 -2.63 2.21 0.56 0.00 -7.23 -1.26 -4.74 120.40 107.31 1mfn s VAL 117 Ca 0.13 -0.71 -0.15 0.00 -1.81 0.00 0.00 61.98 59.44 1mfn s VAL 117 Cb 0.10 -2.50 -0.06 0.00 0.56 0.00 0.00 36.38 34.48 1mfn s VAL 117 CO 0.23 0.00 1.01 -0.44 -0.31 0.00 0.00 175.10 175.60 1mfn s SER 118 N -4.68 6.28 -0.08 4.85 0.01 -1.26 -4.99 113.70 113.83 1mfn s SER 118 Ca 0.64 1.62 -0.04 0.00 1.31 0.00 0.00 55.95 59.48 1mfn s SER 118 Cb -0.06 -2.51 0.04 0.00 0.21 0.00 0.00 66.02 63.70 1mfn s SER 118 CO 0.42 -0.82 0.19 -0.69 0.41 0.00 0.00 173.24 172.74 1mfn s VAL 119 N -2.68 -0.05 -0.21 3.43 1.01 -1.26 -4.83 120.40 115.80 1mfn s VAL 119 Ca 0.60 0.17 -0.16 0.00 0.00 0.00 0.00 61.98 62.59 1mfn s VAL 119 Cb -0.12 -0.30 -0.11 0.00 0.00 0.00 0.00 36.38 35.85 1mfn s VAL 119 CO 0.37 0.07 -0.15 -1.14 0.00 0.00 0.00 175.10 174.25 1mfn n ARG 120 N 4.26 0.54 -3.55 2.72 3.00 0.47 -4.87 116.66 119.24 1mfn n ARG 120 Ca -0.25 0.40 -0.13 0.00 -0.00 0.00 0.00 57.85 57.87 1mfn n ARG 120 Cb 0.52 -1.60 -0.05 0.00 0.00 0.00 0.00 32.46 31.33 1mfn n ARG 120 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.63 179.15 1mfn s TYR 121 N -2.49 -0.47 -0.30 -0.14 -0.85 -0.98 -3.83 117.35 108.29 1mfn s TYR 121 Ca -0.29 0.76 -0.08 0.00 -0.52 0.00 0.00 57.07 56.93 1mfn s TYR 121 Cb 0.08 0.45 -0.00 0.00 0.38 0.00 0.00 41.96 42.86 1mfn s TYR 121 CO 0.46 -0.47 0.12 0.71 -1.52 0.00 0.00 175.55 174.85 1mfn s TYR 122 N -1.39 3.16 -0.73 -3.49 1.51 -0.90 0.20 117.35 115.72 1mfn s TYR 122 Ca -0.04 -0.75 -0.24 0.00 -1.01 0.00 0.00 57.07 55.03 1mfn s TYR 122 Cb -0.00 -2.31 0.06 0.00 -0.11 0.00 0.00 41.96 39.60 1mfn s TYR 122 CO 0.03 -0.51 1.12 0.50 -1.11 0.00 0.00 175.55 175.59 1mfn s ARG 123 N 1.56 3.20 0.38 -0.62 3.52 -1.04 0.52 118.95 126.47 1mfn s ARG 123 Ca 0.04 -0.68 -0.15 0.00 -0.13 0.00 0.00 55.73 54.80 1mfn s ARG 123 Cb -0.17 -4.32 -0.09 0.00 -1.56 0.00 0.00 34.95 28.81 1mfn s ARG 123 CO 0.04 -1.96 0.81 0.42 -0.81 0.00 0.00 175.30 173.80 1mfn s ILE 124 N 4.67 4.63 -0.06 4.11 1.01 -0.38 -0.65 121.20 134.54 1mfn s ILE 124 Ca 0.29 1.00 0.04 0.00 0.00 0.00 0.00 60.65 61.99 1mfn s ILE 124 Cb -0.12 -3.64 -0.00 0.00 0.01 0.00 0.00 42.46 38.71 1mfn s ILE 124 CO 0.10 -0.33 -0.19 0.42 0.00 0.00 0.00 174.94 174.93 1mfn s THR 125 N -2.16 1.65 -0.27 2.92 -4.23 0.51 -0.43 115.64 113.61 1mfn s THR 125 Ca 0.55 -0.81 -0.29 0.00 -1.18 0.00 0.00 61.69 59.96 1mfn s THR 125 Cb -0.10 -1.42 0.01 0.00 1.34 0.00 0.00 72.50 72.33 1mfn s THR 125 CO 0.21 0.47 1.05 -0.31 -0.54 0.00 0.00 174.62 175.49 1mfn s TYR 126 N 0.17 3.25 -0.52 3.99 1.51 0.51 -1.98 117.35 124.28 1mfn s TYR 126 Ca -0.09 1.33 -0.21 0.00 -1.01 0.00 0.00 57.07 57.10 1mfn s TYR 126 Cb -0.14 -3.45 0.05 0.00 -0.11 0.00 0.00 41.96 38.31 1mfn s TYR 126 CO 0.04 -0.61 0.71 0.20 -1.11 0.00 0.00 175.55 174.79 1mfn s GLY 127 N 1.41 1.67 -0.55 0.71 0.00 0.23 -2.64 107.32 108.16 1mfn s GLY 127 Ca 0.44 -1.58 -0.08 0.00 0.00 0.00 0.00 44.72 43.50 1mfn s GLY 127 CO 0.10 1.64 0.42 -0.54 0.00 0.00 0.00 173.10 174.71 1mfn s GLU 128 N 3.00 2.62 0.00 2.90 2.02 -1.26 0.98 118.70 128.96 1mfn s GLU 128 Ca 0.20 -2.03 0.00 0.00 0.02 0.00 0.00 54.97 53.16 1mfn s GLU 128 Cb -0.17 -3.93 0.00 0.00 0.10 0.00 0.00 34.13 30.12 1mfn s GLU 128 CO 0.14 -1.20 0.47 0.25 0.02 0.00 0.00 175.26 174.94 1mfn n THR 129 N 4.46 0.00 -0.96 3.63 -2.24 -1.11 -2.78 114.28 115.28 1mfn n THR 129 Ca -0.01 0.97 -0.13 0.00 -2.27 0.00 0.00 64.05 62.61 1mfn n THR 129 Cb 0.41 -1.85 -0.08 0.00 -2.10 0.00 0.00 70.33 66.71 1mfn n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mfn n GLY 130 N -0.58 3.30 0.00 3.38 0.00 -1.26 -4.47 105.19 105.56 1mfn n GLY 130 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 1.62 0.37 0.86 -0.02 0.00 -1.12 -5.01 105.19 101.89 1mfn n GLY 131 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1mfn n GLY 131 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mfn n ASN 132 N -1.32 0.00 0.00 1.61 4.05 -1.26 -5.07 115.26 113.27 1mfn n ASN 132 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1mfn n ASN 132 Cb 0.00 0.21 0.00 0.00 1.23 0.00 0.00 39.78 41.22 1mfn n ASN 132 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1mfn n SER 133 N -1.93 0.00 -4.84 1.20 2.88 -1.26 -5.14 113.62 104.53 1mfn n SER 133 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 1mfn n SER 133 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 1mfn n SER 133 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1mfn s PRO 134 N 0.00 3.20 0.43 -1.46 0.04 -1.26 -5.03 135.00 130.92 1mfn s PRO 134 Ca 0.00 0.83 0.07 0.00 0.04 0.00 0.00 61.00 61.95 1mfn s PRO 134 Cb 0.00 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 1mfn s PRO 134 CO 0.00 -0.88 0.33 0.14 0.04 0.00 0.00 177.00 176.63 1mfn s VAL 135 N -3.12 2.46 -0.36 -0.36 -7.23 -1.26 -4.76 120.40 105.77 1mfn s VAL 135 Ca 0.57 -1.45 0.03 0.00 -1.81 0.00 0.00 61.98 59.32 1mfn s VAL 135 Cb -0.13 -2.91 0.10 0.00 0.56 0.00 0.00 36.38 34.01 1mfn s VAL 135 CO 0.54 0.00 0.08 -1.10 -0.31 0.00 0.00 175.10 174.31 1mfn s GLN 136 N -4.09 1.56 0.06 4.82 -1.52 -1.08 -4.85 119.66 114.56 1mfn s GLN 136 Ca 0.45 -1.92 0.01 0.00 -1.95 0.00 0.00 55.36 51.95 1mfn s GLN 136 Cb -0.01 -3.25 -0.04 0.00 -0.22 0.00 0.00 33.01 29.49 1mfn s GLN 136 CO 0.26 -0.96 0.16 -1.83 -0.25 0.00 0.00 175.29 172.67 1mfn s GLU 137 N 0.85 3.24 -0.01 2.91 -1.05 -1.26 0.19 118.70 123.57 1mfn s GLU 137 Ca 0.11 -0.52 -0.04 0.00 -0.15 0.00 0.00 54.97 54.36 1mfn s GLU 137 Cb -0.20 -2.93 0.00 0.00 -0.44 0.00 0.00 34.13 30.56 1mfn s GLU 137 CO -0.07 0.60 0.09 -0.59 0.95 0.00 0.00 175.26 176.24 1mfn s PHE 138 N -1.46 0.02 0.48 4.83 -0.12 0.42 -4.94 117.98 117.21 1mfn s PHE 138 Ca 0.33 -0.03 -0.21 0.00 -0.05 0.00 0.00 56.93 56.97 1mfn s PHE 138 Cb -0.13 -0.04 -0.09 0.00 -0.63 0.00 0.00 43.02 42.14 1mfn s PHE 138 CO 0.26 -0.17 1.04 0.95 -0.05 0.00 0.00 175.22 177.24 1mfn s THR 139 N -0.79 3.79 -0.03 -4.49 -4.23 -1.26 -1.25 115.64 107.38 1mfn s THR 139 Ca -0.09 1.13 0.03 0.00 -1.18 0.00 0.00 61.69 61.58 1mfn s THR 139 Cb -0.05 -3.47 -0.03 0.00 1.34 0.00 0.00 72.50 70.29 1mfn s THR 139 CO 0.00 -0.22 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.07 1mfn s VAL 140 N -1.96 3.39 0.29 2.29 1.01 0.18 -4.86 120.40 120.75 1mfn s VAL 140 Ca 0.67 -0.70 -0.28 0.00 0.00 0.00 0.00 61.98 61.66 1mfn s VAL 140 Cb -0.17 -2.40 -0.09 0.00 0.00 0.00 0.00 36.38 33.72 1mfn s VAL 140 CO 0.20 0.52 1.00 -2.16 0.00 0.00 0.00 175.10 174.66 1mfn s PRO 141 N -1.00 4.64 -0.12 2.72 0.04 -1.26 -2.11 135.00 137.90 1mfn s PRO 141 Ca 0.14 1.55 0.04 0.00 0.04 0.00 0.00 61.00 62.77 1mfn s PRO 141 Cb -0.11 -3.04 0.31 0.00 0.04 0.00 0.00 34.50 31.70 1mfn s PRO 141 CO 0.03 0.28 1.11 0.41 0.04 0.00 0.00 177.00 178.88 1mfn n GLY 142 N 1.04 2.37 0.68 0.56 0.00 -1.25 -3.68 105.19 104.91 1mfn n GLY 142 Ca 0.00 -0.39 0.09 0.00 0.00 0.00 0.00 46.02 45.72 1mfn n GLY 142 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1mfn n SER 143 N 0.13 2.39 -3.94 1.61 7.64 -1.26 -4.97 113.62 115.22 1mfn n SER 143 Ca 0.15 -1.70 -0.09 0.00 1.01 0.00 0.00 58.87 58.24 1mfn n SER 143 Cb 0.74 0.09 -0.10 0.00 -1.01 0.00 0.00 64.21 63.93 1mfn n SER 143 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1mfn s LYS 144 N -1.65 0.53 0.10 1.43 -0.14 -1.24 -5.04 119.74 113.74 1mfn s LYS 144 Ca 0.20 -0.72 0.23 0.00 -1.36 0.00 0.00 55.97 54.32 1mfn s LYS 144 Cb 0.15 0.21 -0.05 0.00 -1.68 0.00 0.00 37.83 36.46 1mfn s LYS 144 CO 0.28 -0.13 0.92 0.45 -0.76 0.00 0.00 175.35 176.11 1mfn n SER 145 N 0.93 0.59 -4.73 2.83 2.88 -1.26 -4.89 113.62 109.96 1mfn n SER 145 Ca -0.20 0.09 -0.28 0.00 -1.33 0.00 0.00 58.87 57.16 1mfn n SER 145 Cb 0.58 0.88 -0.07 0.00 -0.75 0.00 0.00 64.21 64.85 1mfn n SER 145 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1mfn s THR 146 N -3.34 4.18 0.06 2.46 -4.23 -1.26 -2.49 115.64 111.01 1mfn s THR 146 Ca -0.01 -1.10 0.05 0.00 -1.18 0.00 0.00 61.69 59.45 1mfn s THR 146 Cb 0.12 -3.07 -0.03 0.00 1.34 0.00 0.00 72.50 70.87 1mfn s THR 146 CO 0.82 -0.01 -0.13 0.00 -0.54 0.00 0.00 174.62 174.75 1mfn s ALA 147 N -1.57 1.11 0.18 3.99 0.00 0.72 -4.95 121.76 121.23 1mfn s ALA 147 Ca 0.28 -0.90 -0.11 0.00 0.00 0.00 0.00 51.96 51.23 1mfn s ALA 147 Cb -0.11 -0.12 -0.07 0.00 0.00 0.00 0.00 23.12 22.83 1mfn s ALA 147 CO 0.21 0.17 0.53 -0.08 0.00 0.00 0.00 175.76 176.59 1mfn s THR 148 N -1.10 4.92 -0.38 0.00 -1.32 -1.26 -0.81 115.64 115.70 1mfn s THR 148 Ca -0.01 0.60 0.01 0.00 -1.21 0.00 0.00 61.69 61.09 1mfn s THR 148 Cb -0.09 -3.67 0.11 0.00 -1.51 0.00 0.00 72.50 67.35 1mfn s THR 148 CO 0.02 0.10 0.15 -0.63 -2.21 0.00 0.00 174.62 172.05 1mfn s ILE 149 N -1.63 1.40 0.00 5.08 -1.09 0.15 -4.91 121.20 120.20 1mfn s ILE 149 Ca 0.42 -2.10 0.00 0.00 -2.23 0.00 0.00 60.65 56.74 1mfn s ILE 149 Cb -0.13 -2.02 0.00 0.00 -1.58 0.00 0.00 42.46 38.73 1mfn s ILE 149 CO 0.20 -0.75 0.00 0.59 -1.23 0.00 0.00 174.94 173.75 1mfn n ASN 150 N 4.16 0.45 -4.00 3.58 4.13 -1.26 0.19 115.26 122.52 1mfn n ASN 150 Ca 0.03 -0.42 -0.43 0.00 1.68 0.00 0.00 54.58 55.44 1mfn n ASN 150 Cb 0.39 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.65 1mfn n ASN 150 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1mfn n ASN 151 N -1.06 -4.39 -4.52 6.41 6.94 -1.18 -4.83 115.26 112.63 1mfn n ASN 151 Ca 0.00 -1.24 -0.26 0.00 -0.02 0.00 0.00 54.58 53.06 1mfn n ASN 151 Cb 0.00 -1.95 -0.10 0.00 -2.36 0.00 0.00 39.78 35.37 1mfn n ASN 151 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 1mfn s ILE 152 N -3.49 2.89 -0.31 1.53 2.07 -1.14 -5.03 121.20 117.73 1mfn s ILE 152 Ca 0.47 -1.86 -0.17 0.00 -1.41 0.00 0.00 60.65 57.68 1mfn s ILE 152 Cb -0.24 -2.44 -0.02 0.00 0.13 0.00 0.00 42.46 39.89 1mfn s ILE 152 CO 0.95 -0.16 0.47 -0.75 -1.91 0.00 0.00 174.94 173.55 1mfn s LYS 153 N -2.91 3.80 0.71 3.50 2.20 -1.26 -4.73 119.74 121.06 1mfn s LYS 153 Ca 0.25 -0.03 -0.11 0.00 -0.36 0.00 0.00 55.97 55.71 1mfn s LYS 153 Cb -0.08 -3.74 0.02 0.00 -1.51 0.00 0.00 37.83 32.52 1mfn s LYS 153 CO 0.14 -0.49 1.09 -1.25 -0.36 0.00 0.00 175.35 174.48 1mfn s PRO 154 N 2.28 2.81 -1.07 4.03 0.04 -1.26 -4.28 135.00 137.55 1mfn s PRO 154 Ca 0.18 0.55 -0.01 0.00 0.04 0.00 0.00 61.00 61.76 1mfn s PRO 154 Cb -0.16 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 1mfn s PRO 154 CO 0.11 -1.09 0.90 0.41 0.04 0.00 0.00 177.00 177.38 1mfn n GLY 155 N -2.78 -0.39 3.65 0.56 0.00 -0.98 -4.98 105.19 100.28 1mfn n GLY 155 Ca 0.07 0.12 0.01 0.00 0.00 0.00 0.00 46.02 46.22 1mfn n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mfn s ALA 156 N -3.33 -2.60 1.05 4.61 0.00 -1.09 -5.00 121.76 115.41 1mfn s ALA 156 Ca 0.06 2.00 -0.17 0.00 0.00 0.00 0.00 51.96 53.85 1mfn s ALA 156 Cb -0.01 -1.94 0.07 0.00 0.00 0.00 0.00 23.12 21.24 1mfn s ALA 156 CO 0.67 -0.31 0.09 -3.47 0.00 0.00 0.00 175.76 172.74 1mfn n ASP 157 N 3.11 -2.37 -3.86 0.00 -0.08 -1.26 -2.37 116.55 109.71 1mfn n ASP 157 Ca -0.17 0.05 -0.13 0.00 -1.51 0.00 0.00 54.79 53.03 1mfn n ASP 157 Cb 0.56 -1.03 -0.07 0.00 2.34 0.00 0.00 41.12 42.92 1mfn n ASP 157 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1mfn s TYR 158 N -2.28 0.98 -0.32 -0.67 1.51 0.58 -2.74 117.35 114.41 1mfn s TYR 158 Ca 0.55 -1.21 -0.00 0.00 -1.01 0.00 0.00 57.07 55.41 1mfn s TYR 158 Cb -0.15 -0.27 0.14 0.00 -0.11 0.00 0.00 41.96 41.57 1mfn s TYR 158 CO 0.67 -0.87 0.28 0.99 -1.11 0.00 0.00 175.55 175.52 1mfn s THR 159 N -3.82 -0.29 0.00 -0.71 2.01 0.27 -1.90 115.64 111.21 1mfn s THR 159 Ca 0.33 -0.76 -0.25 0.00 0.31 0.00 0.00 61.69 61.31 1mfn s THR 159 Cb 0.03 -0.92 -0.05 0.00 0.01 0.00 0.00 72.50 71.57 1mfn s THR 159 CO 0.15 -0.58 0.77 -0.63 -0.69 0.00 0.00 174.62 173.64 1mfn s ILE 160 N 1.98 4.85 0.14 1.82 -1.09 0.12 0.77 121.20 129.80 1mfn s ILE 160 Ca 0.12 1.63 -0.03 0.00 -2.23 0.00 0.00 60.65 60.13 1mfn s ILE 160 Cb -0.15 -4.12 -0.03 0.00 -1.58 0.00 0.00 42.46 36.58 1mfn s ILE 160 CO -0.23 0.30 0.12 -0.89 -1.23 0.00 0.00 174.94 173.01 1mfn s THR 161 N 0.37 0.09 -0.03 2.92 2.01 -0.84 0.13 115.64 120.30 1mfn s THR 161 Ca 0.40 -1.76 -0.30 0.00 0.31 0.00 0.00 61.69 60.35 1mfn s THR 161 Cb -0.20 -1.99 0.07 0.00 0.01 0.00 0.00 72.50 70.40 1mfn s THR 161 CO 0.22 -0.41 0.66 -1.48 -0.69 0.00 0.00 174.62 172.91 1mfn s LEU 162 N -3.02 -0.60 -0.50 4.42 0.05 -0.59 0.19 118.68 118.63 1mfn s LEU 162 Ca 0.22 0.62 0.04 0.00 0.05 0.00 0.00 54.13 55.05 1mfn s LEU 162 Cb 0.06 2.50 0.13 0.00 -2.05 0.00 0.00 46.19 46.83 1mfn s LEU 162 CO 0.01 -0.65 0.25 -0.31 -0.55 0.00 0.00 176.35 175.10 1mfn s TYR 163 N -1.48 2.95 -0.17 3.48 1.51 0.18 -2.34 117.35 121.47 1mfn s TYR 163 Ca -0.10 -3.01 -0.35 0.00 -1.01 0.00 0.00 57.07 52.61 1mfn s TYR 163 Cb -0.00 -2.63 -0.12 0.00 -0.11 0.00 0.00 41.96 39.10 1mfn s TYR 163 CO 0.07 -0.76 1.95 0.00 -1.11 0.00 0.00 175.55 175.71 1mfn n ALA 164 N 3.25 0.87 -2.21 3.71 0.00 -1.26 -2.50 120.51 122.36 1mfn n ALA 164 Ca 0.06 0.19 -0.19 0.00 0.00 0.00 0.00 53.44 53.50 1mfn n ALA 164 Cb 0.33 -2.51 -0.01 0.00 0.00 0.00 0.00 19.45 17.26 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 4.96 3.15 0.00 0.00 1.01 0.54 -3.43 120.40 126.62 1mfn s VAL 165 Ca 0.97 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1mfn s VAL 165 Cb -0.73 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1mfn s VAL 165 CO 0.52 -0.05 0.00 0.35 0.00 0.00 0.00 175.10 175.92 1mfn n THR 166 N -1.67 0.00 -3.86 3.92 -2.24 -1.23 0.18 114.28 109.38 1mfn n THR 166 Ca 0.04 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.45 1mfn n THR 166 Cb 0.60 -0.02 -0.06 0.00 -2.10 0.00 0.00 70.33 68.75 1mfn n THR 166 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1mfn s GLY 167 N -2.56 2.15 -0.38 3.38 0.00 -1.26 -4.29 107.32 104.35 1mfn s GLY 167 Ca 0.00 -0.64 0.03 0.00 0.00 0.00 0.00 44.72 44.11 1mfn s GLY 167 CO 0.00 -0.32 0.37 0.50 0.00 0.00 0.00 173.10 173.65 1mfn s ARG 168 N -0.88 0.68 0.00 2.90 1.81 -1.26 -3.98 118.95 118.21 1mfn s ARG 168 Ca 0.14 -1.08 0.00 0.00 -1.72 0.00 0.00 55.73 53.08 1mfn s ARG 168 Cb -0.12 -0.84 0.00 0.00 -0.45 0.00 0.00 34.95 33.54 1mfn s ARG 168 CO 0.03 -1.23 0.00 0.41 -0.68 0.00 0.00 175.30 173.84 1mfn n GLY 169 N 3.99 -2.28 0.07 -3.53 0.00 -1.26 -4.96 105.19 97.22 1mfn n GLY 169 Ca 0.14 0.76 0.01 0.00 0.00 0.00 0.00 46.02 46.92 1mfn n GLY 169 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mfn n ASP 170 N -0.51 2.10 -2.74 1.61 9.92 -1.26 -4.86 116.55 120.80 1mfn n ASP 170 Ca 0.00 -2.00 -0.03 0.00 -0.53 0.00 0.00 54.79 52.23 1mfn n ASP 170 Cb 0.00 -0.03 0.02 0.00 -0.64 0.00 0.00 41.12 40.47 1mfn n ASP 170 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1mfn s SER 171 N -1.01 -0.83 -0.75 -2.24 0.01 -1.26 -5.10 113.70 102.53 1mfn s SER 171 Ca 0.03 -0.92 -0.26 0.00 1.31 0.00 0.00 55.95 56.10 1mfn s SER 171 Cb 0.01 1.09 0.02 0.00 0.21 0.00 0.00 66.02 67.35 1mfn s SER 171 CO 0.02 -0.04 1.42 -2.16 0.41 0.00 0.00 173.24 172.89 1mfn s PRO 172 N 1.05 3.11 0.36 12.44 0.04 -1.26 -4.52 135.00 146.22 1mfn s PRO 172 Ca 0.25 -0.17 0.07 0.00 0.04 0.00 0.00 61.00 61.19 1mfn s PRO 172 Cb 0.06 -4.35 -0.01 0.00 0.04 0.00 0.00 34.50 30.24 1mfn s PRO 172 CO -0.08 -2.29 0.48 0.00 0.04 0.00 0.00 177.00 175.14 1mfn s ALA 173 N 6.39 4.28 -0.28 8.56 0.00 -1.26 -4.97 121.76 134.49 1mfn s ALA 173 Ca 0.43 -1.53 -0.18 0.00 0.00 0.00 0.00 51.96 50.68 1mfn s ALA 173 Cb -0.08 -1.62 0.11 0.00 0.00 0.00 0.00 23.12 21.53 1mfn s ALA 173 CO 0.13 -0.09 0.86 -1.54 0.00 0.00 0.00 175.76 175.13 1mfn s SER 174 N -4.20 -0.67 0.50 0.00 1.04 -1.26 -3.51 113.70 105.60 1mfn s SER 174 Ca 0.47 1.12 0.00 0.00 0.48 0.00 0.00 55.95 58.02 1mfn s SER 174 Cb -0.09 1.24 0.00 0.00 0.10 0.00 0.00 66.02 67.27 1mfn s SER 174 CO 0.31 -0.18 0.00 -1.54 0.98 0.00 0.00 173.24 172.81 1mfn n SER 175 N 3.56 -1.01 -4.78 7.02 3.41 -1.22 -4.87 113.62 115.73 1mfn n SER 175 Ca -0.18 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.07 1mfn n SER 175 Cb 0.58 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.49 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 -1.51 4.14 0.11 4.33 -0.14 -1.26 -4.81 119.74 120.60 1mfn s LYS 176 Ca 0.00 1.55 -0.30 0.00 -1.36 0.00 0.00 55.97 55.86 1mfn s LYS 176 Cb 0.00 -2.55 -0.06 0.00 -1.68 0.00 0.00 37.83 33.54 1mfn s LYS 176 CO 0.00 -0.17 1.04 -1.25 -0.76 0.00 0.00 175.35 174.21 1mfn s PRO 177 N -2.47 4.61 -0.14 -1.68 0.04 -1.26 -4.77 135.00 129.33 1mfn s PRO 177 Ca 0.58 1.58 -0.04 0.00 0.04 0.00 0.00 61.00 63.15 1mfn s PRO 177 Cb -0.23 -3.35 -0.03 0.00 0.04 0.00 0.00 34.50 30.92 1mfn s PRO 177 CO 0.29 0.07 0.02 0.08 0.04 0.00 0.00 177.00 177.50 1mfn s VAL 178 N 0.20 4.47 0.02 -0.36 1.01 -0.99 -4.89 120.40 119.85 1mfn s VAL 178 Ca 0.50 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.35 1mfn s VAL 178 Cb -0.26 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.16 1mfn s VAL 178 CO 0.31 0.53 -0.12 -0.94 0.00 0.00 0.00 175.10 174.89 1mfn s SER 179 N -0.21 1.39 0.10 3.32 1.04 -1.26 -1.55 113.70 116.53 1mfn s SER 179 Ca 0.06 -0.33 0.06 0.00 0.48 0.00 0.00 55.95 56.21 1mfn s SER 179 Cb -0.12 -0.11 -0.03 0.00 0.10 0.00 0.00 66.02 65.85 1mfn s SER 179 CO 0.02 0.06 -0.14 0.27 0.98 0.00 0.00 173.24 174.43 1mfn s ILE 180 N -0.59 1.24 0.74 -1.02 -4.36 0.35 -4.94 121.20 112.61 1mfn s ILE 180 Ca 0.02 -1.53 -0.09 0.00 -0.26 0.00 0.00 60.65 58.79 1mfn s ILE 180 Cb -0.06 -1.33 0.06 0.00 1.25 0.00 0.00 42.46 42.38 1mfn s ILE 180 CO 0.00 -0.32 1.08 0.20 0.24 0.00 0.00 174.94 176.14 1mfn s ASN 181 N -2.12 4.85 -0.29 4.36 -0.87 -1.26 0.15 114.94 119.76 1mfn s ASN 181 Ca 0.04 0.71 -0.14 0.00 -1.57 0.00 0.00 52.86 51.89 1mfn s ASN 181 Cb -0.07 -1.35 0.13 0.00 -0.02 0.00 0.00 41.25 39.95 1mfn s ASN 181 CO 0.03 -1.63 0.84 -0.47 -2.57 0.00 0.00 177.10 173.29 1mfn s TYR 182 N -3.37 -0.91 -0.39 2.20 6.14 -0.80 -4.73 117.35 115.49 1mfn s TYR 182 Ca 0.60 1.67 -0.18 0.00 0.64 0.00 0.00 57.07 59.80 1mfn s TYR 182 Cb -0.11 0.54 0.01 0.00 0.42 0.00 0.00 41.96 42.83 1mfn s TYR 182 CO 0.47 -0.45 0.48 0.15 0.64 0.00 0.00 175.55 176.84 1mfn s LYS 183 N 2.15 3.34 0.00 4.97 1.02 -1.26 0.22 119.74 130.17 1mfn s LYS 183 Ca -0.06 -0.49 0.29 0.00 0.02 0.00 0.00 55.97 55.73 1mfn s LYS 183 Cb -0.07 -3.90 1.18 0.00 -0.52 0.00 0.00 37.83 34.52 1mfn s LYS 183 CO -0.18 -0.77 1.82 0.25 -0.92 0.00 0.00 175.35 175.55