#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 -4.56 0.99 7.99 -1.26 -4.84 117.00 115.32 1mfn n LEU 2 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 56.01 55.66 1mfn n LEU 2 Cb 0.00 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.27 1mfn n LEU 2 CO 0.00 -0.34 1.41 -1.81 -1.51 0.00 0.00 177.39 175.14 1mfn s ASP 3 N -1.27 5.79 -0.47 -1.43 1.01 -1.26 -4.88 116.67 114.15 1mfn s ASP 3 Ca 0.00 -1.03 -0.17 0.00 0.71 0.00 0.00 52.55 52.06 1mfn s ASP 3 Cb 0.00 -2.56 0.05 0.00 1.01 0.00 0.00 42.92 41.42 1mfn s ASP 3 CO 0.00 -2.16 0.50 -0.44 0.21 0.00 0.00 175.17 173.28 1mfn s SER 4 N 6.58 6.19 0.62 0.27 0.01 -1.26 -4.62 113.70 121.49 1mfn s SER 4 Ca 0.59 -0.97 -0.11 0.00 1.31 0.00 0.00 55.95 56.76 1mfn s SER 4 Cb -0.04 -2.24 -0.04 0.00 0.21 0.00 0.00 66.02 63.92 1mfn s SER 4 CO -0.05 -0.73 1.03 -2.16 0.41 0.00 0.00 173.24 171.74 1mfn s PRO 5 N 2.19 3.57 0.00 12.44 0.04 -1.26 -4.47 135.00 147.51 1mfn s PRO 5 Ca 0.11 0.78 0.00 0.00 0.04 0.00 0.00 61.00 61.93 1mfn s PRO 5 Cb -0.20 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1mfn s PRO 5 CO 0.11 -0.59 0.00 0.25 0.04 0.00 0.00 177.00 176.81 1mfn n THR 6 N -2.71 0.00 -2.23 1.26 -2.24 -1.19 -4.80 114.28 102.38 1mfn n THR 6 Ca 0.06 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.81 1mfn n THR 6 Cb 0.54 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.77 1mfn n THR 6 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mfn n GLY 7 N 0.00 -0.34 3.58 3.38 0.00 -1.26 -2.88 105.19 107.66 1mfn n GLY 7 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.53 1mfn n GLY 7 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1mfn n PHE 8 N -2.47 1.38 -3.10 1.61 -0.00 -1.26 -3.89 117.46 109.73 1mfn n PHE 8 Ca -0.04 0.66 0.03 0.00 -0.00 0.00 0.00 57.45 58.09 1mfn n PHE 8 Cb 0.45 -2.30 -0.00 0.00 -0.00 0.00 0.00 39.48 37.63 1mfn n PHE 8 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1mfn s ASP 9 N 0.11 -1.18 -0.28 -2.13 -1.08 0.44 -4.94 116.67 107.61 1mfn s ASP 9 Ca 0.75 -0.29 -0.25 0.00 -0.52 0.00 0.00 52.55 52.24 1mfn s ASP 9 Cb -0.86 1.60 0.00 0.00 -1.46 0.00 0.00 42.92 42.20 1mfn s ASP 9 CO 0.51 -0.17 0.87 -0.44 0.52 0.00 0.00 175.17 176.46 1mfn s SER 10 N 2.29 6.80 0.00 -0.34 0.01 -1.26 0.04 113.70 121.25 1mfn s SER 10 Ca 0.16 0.92 0.00 0.00 1.31 0.00 0.00 55.95 58.34 1mfn s SER 10 Cb -0.04 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.74 1mfn s SER 10 CO -0.16 -0.63 0.00 -1.54 0.41 0.00 0.00 173.24 171.33 1mfn n SER 11 N 6.25 0.00 -3.10 2.44 3.41 -0.49 -4.88 113.62 117.25 1mfn n SER 11 Ca 0.06 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.50 1mfn n SER 11 Cb 0.48 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.41 1mfn n SER 11 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1mfn n ASP 12 N 0.00 -2.86 -4.83 4.04 9.92 -1.26 -1.39 116.55 120.17 1mfn n ASP 12 Ca 0.00 -0.15 -0.30 0.00 -0.53 0.00 0.00 54.79 53.80 1mfn n ASP 12 Cb 0.00 -2.43 0.06 0.00 -0.64 0.00 0.00 41.12 38.10 1mfn n ASP 12 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1mfn s ILE 13 N -2.67 3.66 0.20 0.53 1.01 -1.26 -1.51 121.20 121.14 1mfn s ILE 13 Ca 0.27 0.54 -0.03 0.00 0.00 0.00 0.00 60.65 61.43 1mfn s ILE 13 Cb -0.15 -3.37 0.01 0.00 0.01 0.00 0.00 42.46 38.97 1mfn s ILE 13 CO 0.33 -0.70 0.30 0.35 0.00 0.00 0.00 174.94 175.22 1mfn n THR 14 N -3.17 0.00 -0.05 2.92 -2.24 0.74 -4.66 114.28 107.83 1mfn n THR 14 Ca 0.07 -0.88 -0.11 0.00 -2.27 0.00 0.00 64.05 60.86 1mfn n THR 14 Cb 0.55 0.59 -0.10 0.00 -2.10 0.00 0.00 70.33 69.27 1mfn n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mfn h ALA 15 N 1.82 -0.02 -0.02 6.98 0.00 -1.91 -1.77 119.26 124.33 1mfn h ALA 15 Ca -0.16 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1mfn h ALA 15 Cb 0.65 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1mfn h ALA 15 CO 0.21 -0.05 -0.17 0.27 0.00 0.00 0.00 179.25 179.50 1mfn n ASN 16 N -4.69 2.34 -3.72 0.00 6.94 -1.26 -3.48 115.26 111.38 1mfn n ASN 16 Ca -0.08 -1.69 -0.11 0.00 -0.02 0.00 0.00 54.58 52.68 1mfn n ASN 16 Cb 0.36 0.16 -0.06 0.00 -2.36 0.00 0.00 39.78 37.88 1mfn n ASN 16 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1mfn s SER 17 N -2.19 -0.14 -0.26 0.53 1.04 -1.25 -1.02 113.70 110.41 1mfn s SER 17 Ca 0.26 -0.29 -0.26 0.00 0.48 0.00 0.00 55.95 56.15 1mfn s SER 17 Cb 0.19 0.40 0.11 0.00 0.10 0.00 0.00 66.02 66.82 1mfn s SER 17 CO 0.41 -0.71 0.93 0.72 0.98 0.00 0.00 173.24 175.57 1mfn s PHE 18 N -3.16 -0.55 0.26 5.02 -0.12 -0.77 0.26 117.98 118.93 1mfn s PHE 18 Ca -0.01 1.30 -0.02 0.00 -0.05 0.00 0.00 56.93 58.15 1mfn s PHE 18 Cb 0.01 0.35 -0.04 0.00 -0.63 0.00 0.00 43.02 42.71 1mfn s PHE 18 CO -0.07 -0.30 0.48 0.99 -0.05 0.00 0.00 175.22 176.27 1mfn s THR 19 N 0.07 5.12 -0.11 -4.49 2.01 -0.49 -1.23 115.64 116.53 1mfn s THR 19 Ca 0.01 -0.25 -0.01 0.00 0.31 0.00 0.00 61.69 61.76 1mfn s THR 19 Cb -0.04 -3.76 0.03 0.00 0.01 0.00 0.00 72.50 68.73 1mfn s THR 19 CO -0.03 -0.30 -0.07 -0.69 -0.69 0.00 0.00 174.62 172.84 1mfn s VAL 20 N -2.03 0.96 0.05 3.82 1.01 -0.79 -1.39 120.40 122.02 1mfn s VAL 20 Ca 0.41 -0.25 -0.00 0.00 0.00 0.00 0.00 61.98 62.14 1mfn s VAL 20 Cb -0.11 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 1mfn s VAL 20 CO 0.31 0.36 0.17 -1.00 0.00 0.00 0.00 175.10 174.94 1mfn s HIS 21 N 1.73 3.45 -0.29 5.22 3.76 0.11 -2.34 115.29 126.93 1mfn s HIS 21 Ca 0.05 0.24 -0.16 0.00 -0.15 0.00 0.00 55.06 55.04 1mfn s HIS 21 Cb -0.13 -1.75 0.16 0.00 1.11 0.00 0.00 32.58 31.98 1mfn s HIS 21 CO -0.08 0.59 1.04 1.67 -0.85 0.00 0.00 174.74 177.11 1mfn s TRP 22 N -1.43 -0.46 0.90 1.40 -2.14 -0.47 -0.42 118.94 116.33 1mfn s TRP 22 Ca 0.32 0.91 -0.12 0.00 2.66 0.00 0.00 56.10 59.87 1mfn s TRP 22 Cb -0.13 0.27 0.13 0.00 -3.10 0.00 0.00 33.47 30.65 1mfn s TRP 22 CO 0.24 -0.23 1.13 0.08 -2.66 0.00 0.00 176.95 175.51 1mfn s VAL 23 N 1.28 2.18 0.26 -0.66 1.01 -1.14 -4.60 120.40 118.74 1mfn s VAL 23 Ca -0.09 0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.03 1mfn s VAL 23 Cb -0.03 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1mfn s VAL 23 CO -0.14 -0.08 0.15 0.00 0.00 0.00 0.00 175.10 175.04 1mfn s ALA 24 N -3.23 3.50 0.00 5.51 0.00 -1.26 -3.14 121.76 123.14 1mfn s ALA 24 Ca 0.63 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1mfn s ALA 24 Cb -0.15 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.81 1mfn s ALA 24 CO 0.54 0.24 0.00 -0.35 0.00 0.00 0.00 175.76 176.18 1mfn n PRO 25 N -1.12 0.00 0.00 0.00 -0.04 -1.26 -4.92 135.00 127.66 1mfn n PRO 25 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1mfn n PRO 25 Cb 0.58 -0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 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 0.00 0.00 -0.63 0.54 1.74 -1.26 -5.09 116.66 111.96 1mfn n ARG 26 Ca 0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 1mfn n ARG 26 Cb 0.00 0.00 0.19 0.00 -1.02 0.00 0.00 32.46 31.63 1mfn n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mfn n ALA 27 N -0.41 -3.58 -1.77 7.54 0.00 -1.26 -4.93 120.51 116.11 1mfn n ALA 27 Ca 0.00 -1.17 -0.39 0.00 0.00 0.00 0.00 53.44 51.89 1mfn n ALA 27 Cb 0.00 -1.69 -0.05 0.00 0.00 0.00 0.00 19.45 17.70 1mfn n ALA 27 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1mfn s PRO 28 N -3.75 4.60 0.32 0.00 0.04 -1.26 -4.84 135.00 130.12 1mfn s PRO 28 Ca 0.60 1.54 -0.04 0.00 0.04 0.00 0.00 61.00 63.14 1mfn s PRO 28 Cb -0.17 -3.00 -0.00 0.00 0.04 0.00 0.00 34.50 31.37 1mfn s PRO 28 CO 0.66 0.25 0.46 0.96 0.04 0.00 0.00 177.00 179.37 1mfn s ILE 29 N -1.37 0.00 0.00 0.56 -4.36 -1.26 -4.73 121.20 110.04 1mfn s ILE 29 Ca 0.47 -1.59 0.00 0.00 -0.26 0.00 0.00 60.65 59.27 1mfn s ILE 29 Cb -0.25 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 40.88 1mfn s ILE 29 CO 0.32 0.00 0.53 0.35 0.24 0.00 0.00 174.94 176.38 1mfn n THR 30 N -0.53 0.10 0.00 8.37 -2.24 0.22 -4.88 114.28 115.32 1mfn n THR 30 Ca 0.01 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1mfn n THR 30 Cb 0.62 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 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 -0.05 4.63 3.80 3.38 0.00 -1.19 -4.41 105.19 111.35 1mfn n GLY 31 Ca 0.00 -1.27 -0.36 0.00 0.00 0.00 0.00 46.02 44.39 1mfn n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mfn s TYR 32 N -2.00 3.48 -0.01 1.61 1.51 -0.23 -1.79 117.35 119.92 1mfn s TYR 32 Ca 0.00 0.41 -0.23 0.00 -1.01 0.00 0.00 57.07 56.23 1mfn s TYR 32 Cb 0.00 -2.02 -0.05 0.00 -0.11 0.00 0.00 41.96 39.78 1mfn s TYR 32 CO 0.00 0.52 0.70 0.42 -1.11 0.00 0.00 175.55 176.07 1mfn s ILE 33 N -0.41 4.89 -0.40 2.71 1.09 -0.49 -0.22 121.20 128.38 1mfn s ILE 33 Ca 0.11 1.46 -0.04 0.00 -1.10 0.00 0.00 60.65 61.08 1mfn s ILE 33 Cb -0.12 -4.04 0.10 0.00 -1.06 0.00 0.00 42.46 37.34 1mfn s ILE 33 CO 0.01 0.34 0.19 -0.63 -0.10 0.00 0.00 174.94 174.76 1mfn s ILE 34 N 0.19 3.42 0.21 2.92 -1.09 0.58 -1.03 121.20 126.41 1mfn s ILE 34 Ca 0.36 -1.85 0.04 0.00 -2.23 0.00 0.00 60.65 56.97 1mfn s ILE 34 Cb -0.19 -3.25 -0.03 0.00 -1.58 0.00 0.00 42.46 37.41 1mfn s ILE 34 CO 0.20 -0.58 0.31 -0.60 -1.23 0.00 0.00 174.94 173.04 1mfn s ARG 35 N 1.21 3.38 0.01 2.79 3.52 -0.60 0.20 118.95 129.46 1mfn s ARG 35 Ca 0.05 -0.73 -0.00 0.00 -0.13 0.00 0.00 55.73 54.92 1mfn s ARG 35 Cb -0.23 -2.88 -0.01 0.00 -1.56 0.00 0.00 34.95 30.27 1mfn s ARG 35 CO -0.03 0.46 -0.01 -1.58 -0.81 0.00 0.00 175.30 173.33 1mfn s HIS 36 N -1.90 0.12 -0.29 5.12 2.46 -0.94 0.03 115.29 119.89 1mfn s HIS 36 Ca 0.34 -0.24 -0.16 0.00 0.47 0.00 0.00 55.06 55.48 1mfn s HIS 36 Cb -0.10 -0.09 0.11 0.00 -0.13 0.00 0.00 32.58 32.38 1mfn s HIS 36 CO 0.28 -0.09 0.79 -3.38 -2.47 0.00 0.00 174.74 169.88 1mfn s HIS 37 N -0.67 -0.91 1.00 3.88 -3.43 -0.77 0.25 115.29 114.65 1mfn s HIS 37 Ca -0.07 1.78 -0.21 0.00 -0.80 0.00 0.00 55.06 55.76 1mfn s HIS 37 Cb -0.05 0.54 -0.16 0.00 -1.43 0.00 0.00 32.58 31.49 1mfn s HIS 37 CO -0.00 -0.45 -1.05 0.00 -2.00 0.00 0.00 174.74 171.24 1mfn n ALA 38 N 4.23 -5.57 -1.22 -1.38 0.00 -1.18 0.11 120.51 115.50 1mfn n ALA 38 Ca -0.18 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.31 1mfn n ALA 38 Cb 0.58 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.99 1mfn n ALA 38 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1mfn n GLU 39 N 2.39 0.00 0.00 0.00 1.02 -1.12 -4.09 120.64 118.83 1mfn n GLU 39 Ca -0.02 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.26 1mfn n GLU 39 Cb 0.63 0.00 0.53 0.00 -0.02 0.00 0.00 31.44 32.58 1mfn n GLU 39 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 1mfn n HIS 40 N 0.00 0.00 -2.01 -0.32 1.44 -1.26 -4.88 115.22 108.19 1mfn n HIS 40 Ca 0.00 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.51 1mfn n HIS 40 Cb 0.00 -0.10 0.12 0.00 0.12 0.00 0.00 29.99 30.14 1mfn n HIS 40 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1mfn n SER 41 N -0.54 0.44 -2.10 4.39 3.41 -1.26 -4.97 113.62 112.99 1mfn n SER 41 Ca 0.16 -1.54 -0.21 0.00 -0.26 0.00 0.00 58.87 57.02 1mfn n SER 41 Cb 0.31 -0.63 0.19 0.00 -0.26 0.00 0.00 64.21 63.82 1mfn n SER 41 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1mfn n VAL 42 N -2.99 3.12 -1.90 -3.33 0.31 -1.26 -4.84 118.33 107.44 1mfn n VAL 42 Ca 0.12 -2.00 -0.42 0.00 -0.01 0.00 0.00 64.34 62.03 1mfn n VAL 42 Cb 0.43 -0.45 -0.03 0.00 -0.91 0.00 0.00 33.84 32.88 1mfn n VAL 42 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1mfn s GLY 43 N -1.42 1.53 0.45 2.92 0.00 -1.26 -4.92 107.32 104.62 1mfn s GLY 43 Ca 0.56 1.26 -0.24 0.00 0.00 0.00 0.00 44.72 46.30 1mfn s GLY 43 CO 0.10 2.88 1.18 0.54 0.00 0.00 0.00 173.10 177.80 1mfn n ARG 44 N 5.35 1.65 -2.51 2.90 3.00 -1.26 -3.08 116.66 122.72 1mfn n ARG 44 Ca 0.16 0.59 -0.42 0.00 -0.01 0.00 0.00 57.85 58.17 1mfn n ARG 44 Cb 0.40 -2.30 -0.02 0.00 0.00 0.00 0.00 32.46 30.54 1mfn n ARG 44 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1mfn s PRO 45 N -2.29 3.46 1.12 5.56 0.04 -1.26 -4.28 135.00 137.35 1mfn s PRO 45 Ca 0.64 0.36 -0.19 0.00 0.04 0.00 0.00 61.00 61.86 1mfn s PRO 45 Cb -0.50 -4.05 0.27 0.00 0.04 0.00 0.00 34.50 30.26 1mfn s PRO 45 CO 0.56 -1.75 1.23 1.03 0.04 0.00 0.00 177.00 178.11 1mfn s ARG 46 N 5.12 -0.63 -0.07 4.56 0.52 0.70 -4.83 118.95 124.32 1mfn s ARG 46 Ca 0.47 -0.36 -0.03 0.00 -0.52 0.00 0.00 55.73 55.29 1mfn s ARG 46 Cb -0.09 -1.69 0.04 0.00 0.52 0.00 0.00 34.95 33.73 1mfn s ARG 46 CO 0.26 -3.27 0.15 1.14 0.02 0.00 0.00 175.30 173.60 1mfn s GLN 47 N -5.73 0.07 0.07 3.54 -2.07 -1.26 -2.22 119.66 112.06 1mfn s GLN 47 Ca 0.74 0.43 0.00 0.00 -1.82 0.00 0.00 55.36 54.71 1mfn s GLN 47 Cb -0.05 -0.21 -0.04 0.00 -1.09 0.00 0.00 33.01 31.62 1mfn s GLN 47 CO 0.55 -0.21 -0.05 -0.51 -1.32 0.00 0.00 175.29 173.75 1mfn s ASP 48 N 1.51 0.75 0.06 12.60 1.01 0.54 -4.95 116.67 128.18 1mfn s ASP 48 Ca -0.05 -0.97 -0.00 0.00 0.71 0.00 0.00 52.55 52.24 1mfn s ASP 48 Cb -0.12 0.15 -0.04 0.00 1.01 0.00 0.00 42.92 43.92 1mfn s ASP 48 CO -0.06 -0.52 -0.04 -0.13 0.21 0.00 0.00 175.17 174.63 1mfn s ARG 49 N -3.70 0.62 0.06 8.23 3.00 -1.26 0.22 118.95 126.13 1mfn s ARG 49 Ca 0.07 -1.18 -0.04 0.00 0.00 0.00 0.00 55.73 54.58 1mfn s ARG 49 Cb 0.06 0.12 -0.02 0.00 0.00 0.00 0.00 34.95 35.10 1mfn s ARG 49 CO -0.07 -0.09 0.06 0.14 0.00 0.00 0.00 175.30 175.34 1mfn s VAL 50 N -3.63 0.18 0.96 3.52 -7.23 0.70 -4.75 120.40 110.15 1mfn s VAL 50 Ca 0.06 -1.50 -0.15 0.00 -1.81 0.00 0.00 61.98 58.58 1mfn s VAL 50 Cb 0.06 -1.36 0.17 0.00 0.56 0.00 0.00 36.38 35.81 1mfn s VAL 50 CO -0.08 -0.83 1.22 -2.16 -0.31 0.00 0.00 175.10 172.93 1mfn s PRO 51 N -3.70 0.74 0.26 4.82 0.04 -1.26 -1.07 135.00 134.82 1mfn s PRO 51 Ca 0.05 -0.08 0.26 0.00 0.04 0.00 0.00 61.00 61.26 1mfn s PRO 51 Cb 0.06 -1.83 0.83 0.00 0.04 0.00 0.00 34.50 33.60 1mfn s PRO 51 CO -0.10 -2.40 1.75 -1.00 0.04 0.00 0.00 177.00 175.30 1mfn h PRO 52 N -1.64 0.00 -0.65 0.56 0.13 -1.90 -3.11 132.00 125.40 1mfn h PRO 52 Ca -0.46 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.48 1mfn h PRO 52 Cb 1.29 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.31 1mfn h PRO 52 CO 0.49 0.00 0.20 -1.13 -0.23 0.00 0.00 178.00 177.33 1mfn n SER 53 N -2.38 4.55 -3.91 1.44 3.41 -1.26 -4.85 113.62 110.63 1mfn n SER 53 Ca 0.04 -3.25 -0.30 0.00 -0.26 0.00 0.00 58.87 55.11 1mfn n SER 53 Cb 0.39 -0.71 -0.16 0.00 -0.26 0.00 0.00 64.21 63.47 1mfn n SER 53 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1mfn s ARG 54 N -3.00 1.45 0.01 4.33 1.81 -1.17 -4.95 118.95 117.43 1mfn s ARG 54 Ca 0.53 -0.96 0.23 0.00 -1.72 0.00 0.00 55.73 53.81 1mfn s ARG 54 Cb 0.43 -2.53 0.16 0.00 -0.45 0.00 0.00 34.95 32.56 1mfn s ARG 54 CO 0.12 -0.64 1.16 0.27 -0.68 0.00 0.00 175.30 175.53 1mfn n ASN 55 N 4.71 0.68 -4.04 0.23 0.23 -1.26 -4.79 115.26 111.02 1mfn n ASN 55 Ca -0.10 -0.46 -0.21 0.00 -0.53 0.00 0.00 54.58 53.27 1mfn n ASN 55 Cb 0.44 0.62 -0.15 0.00 -2.08 0.00 0.00 39.78 38.61 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 -3.25 1.36 -0.06 0.53 1.04 -1.26 -1.36 113.70 110.70 1mfn s SER 56 Ca 0.08 -0.21 0.02 0.00 0.48 0.00 0.00 55.95 56.32 1mfn s SER 56 Cb 0.16 -0.30 0.02 0.00 0.10 0.00 0.00 66.02 66.00 1mfn s SER 56 CO 0.78 0.10 -0.09 -0.51 0.98 0.00 0.00 173.24 174.50 1mfn s ILE 57 N 0.03 0.86 -0.41 -1.02 2.07 -0.99 -4.91 121.20 116.82 1mfn s ILE 57 Ca -0.01 -0.31 -0.18 0.00 -1.41 0.00 0.00 60.65 58.74 1mfn s ILE 57 Cb -0.07 -0.82 0.02 0.00 0.13 0.00 0.00 42.46 41.71 1mfn s ILE 57 CO 0.00 0.29 0.47 -0.89 -1.91 0.00 0.00 174.94 172.91 1mfn s THR 58 N 0.80 5.04 0.50 4.00 2.01 -1.26 -1.89 115.64 124.84 1mfn s THR 58 Ca -0.13 -0.16 -0.09 0.00 0.31 0.00 0.00 61.69 61.62 1mfn s THR 58 Cb -0.15 -4.04 -0.05 0.00 0.01 0.00 0.00 72.50 68.28 1mfn s THR 58 CO 0.02 -0.40 0.86 -0.76 -0.69 0.00 0.00 174.62 173.66 1mfn s LEU 59 N 2.27 3.57 0.32 4.42 1.43 -0.36 -4.83 118.68 125.49 1mfn s LEU 59 Ca 0.14 1.16 -0.00 0.00 -1.03 0.00 0.00 54.13 54.40 1mfn s LEU 59 Cb -0.16 -4.12 -0.01 0.00 0.03 0.00 0.00 46.19 41.93 1mfn s LEU 59 CO 0.14 -0.62 0.40 0.42 0.23 0.00 0.00 176.35 176.93 1mfn s THR 60 N -2.77 0.00 -1.44 5.49 -4.23 -1.25 -1.85 115.64 109.60 1mfn s THR 60 Ca 0.51 -1.72 -0.05 0.00 -1.18 0.00 0.00 61.69 59.25 1mfn s THR 60 Cb -0.10 -2.57 0.04 0.00 1.34 0.00 0.00 72.50 71.20 1mfn s THR 60 CO 0.43 0.00 0.67 0.59 -0.54 0.00 0.00 174.62 175.78 1mfn n ASN 61 N -1.31 -1.92 -4.42 3.99 5.03 -0.19 -4.86 115.26 111.58 1mfn n ASN 61 Ca 0.03 -0.90 -0.30 0.00 0.87 0.00 0.00 54.58 54.28 1mfn n ASN 61 Cb 0.62 -3.51 -0.13 0.00 -1.02 0.00 0.00 39.78 35.74 1mfn n ASN 61 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1mfn s LEU 62 N -6.98 2.44 -0.39 3.41 1.43 -0.96 -5.04 118.68 112.59 1mfn s LEU 62 Ca 0.24 -0.58 -0.42 0.00 -1.03 0.00 0.00 54.13 52.33 1mfn s LEU 62 Cb -0.12 -1.39 -0.17 0.00 0.03 0.00 0.00 46.19 44.54 1mfn s LEU 62 CO 0.86 0.22 1.82 0.59 0.23 0.00 0.00 176.35 180.07 1mfn n ASN 63 N 1.27 1.78 -4.69 2.29 3.02 -1.26 -4.38 115.26 113.28 1mfn n ASN 63 Ca -0.17 0.96 -0.42 0.00 -0.03 0.00 0.00 54.58 54.92 1mfn n ASN 63 Cb 0.52 -1.05 -0.03 0.00 -0.61 0.00 0.00 39.78 38.62 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 4.13 4.39 0.00 3.52 0.04 -1.23 -4.05 135.00 141.80 1mfn s PRO 64 Ca 1.05 1.55 0.00 0.00 0.04 0.00 0.00 61.00 63.64 1mfn s PRO 64 Cb -1.23 -3.54 0.00 0.00 0.04 0.00 0.00 34.50 29.77 1mfn s PRO 64 CO 0.68 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 177.77 1mfn n GLY 65 N 3.23 0.92 3.48 0.56 0.00 0.11 -4.56 105.19 108.92 1mfn n GLY 65 Ca 0.10 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.85 0.03 -0.10 2.61 2.01 -0.78 -4.76 115.64 111.80 1mfn s THR 66 Ca 0.00 -1.18 0.02 0.00 0.31 0.00 0.00 61.69 60.84 1mfn s THR 66 Cb 0.00 -1.86 0.01 0.00 0.01 0.00 0.00 72.50 70.66 1mfn s THR 66 CO 0.00 -0.14 -0.15 -1.61 -0.69 0.00 0.00 174.62 172.02 1mfn s GLU 67 N -3.95 2.18 0.00 4.92 2.02 -1.26 0.20 118.70 122.81 1mfn s GLU 67 Ca 0.16 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 54.59 1mfn s GLU 67 Cb 0.01 -1.80 0.00 0.00 0.10 0.00 0.00 34.13 32.43 1mfn s GLU 67 CO 0.02 -0.01 0.00 0.66 0.02 0.00 0.00 175.26 175.95 1mfn n TYR 68 N 4.01 0.00 -3.71 1.61 4.02 -0.31 -2.79 117.16 119.98 1mfn n TYR 68 Ca -0.20 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.46 1mfn n TYR 68 Cb 0.52 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.66 1mfn n TYR 68 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1mfn s VAL 69 N -0.34 0.19 -0.12 -0.72 1.01 0.30 -2.41 120.40 118.30 1mfn s VAL 69 Ca 0.00 0.05 -0.21 0.00 0.00 0.00 0.00 61.98 61.81 1mfn s VAL 69 Cb 0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 1mfn s VAL 69 CO 0.00 0.07 0.63 -0.69 0.00 0.00 0.00 175.10 175.11 1mfn s VAL 70 N 2.04 5.07 -0.47 2.92 1.01 -0.20 -1.84 120.40 128.92 1mfn s VAL 70 Ca 0.04 1.25 -0.15 0.00 0.00 0.00 0.00 61.98 63.12 1mfn s VAL 70 Cb -0.14 -3.96 0.08 0.00 0.00 0.00 0.00 36.38 32.36 1mfn s VAL 70 CO -0.06 0.22 0.38 -0.94 0.00 0.00 0.00 175.10 174.70 1mfn s SER 71 N 0.89 6.08 0.52 3.32 1.04 0.10 0.35 113.70 126.01 1mfn s SER 71 Ca 0.32 -1.39 -0.16 0.00 0.48 0.00 0.00 55.95 55.19 1mfn s SER 71 Cb -0.16 -2.16 -0.07 0.00 0.10 0.00 0.00 66.02 63.73 1mfn s SER 71 CO 0.14 -0.65 0.99 -0.63 0.98 0.00 0.00 173.24 174.07 1mfn s ILE 72 N 1.61 4.46 0.19 -1.02 -1.09 0.72 -1.56 121.20 124.50 1mfn s ILE 72 Ca 0.04 1.18 -0.15 0.00 -2.23 0.00 0.00 60.65 59.49 1mfn s ILE 72 Cb -0.25 -3.69 0.02 0.00 -1.58 0.00 0.00 42.46 36.96 1mfn s ILE 72 CO 0.06 -0.68 0.45 -0.63 -1.23 0.00 0.00 174.94 172.91 1mfn s ILE 73 N -2.62 0.04 -0.09 2.92 1.01 -0.19 0.13 121.20 122.39 1mfn s ILE 73 Ca 0.59 -0.99 -0.01 0.00 0.00 0.00 0.00 60.65 60.25 1mfn s ILE 73 Cb -0.11 -1.68 0.03 0.00 0.01 0.00 0.00 42.46 40.71 1mfn s ILE 73 CO 0.32 -0.17 -0.04 0.00 0.00 0.00 0.00 174.94 175.05 1mfn s ALA 74 N -3.91 1.00 0.02 9.38 0.00 -1.26 -1.39 121.76 125.60 1mfn s ALA 74 Ca 0.12 -0.32 0.04 0.00 0.00 0.00 0.00 51.96 51.80 1mfn s ALA 74 Cb 0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.28 1mfn s ALA 74 CO -0.02 -0.41 -0.10 0.14 0.00 0.00 0.00 175.76 175.37 1mfn s VAL 75 N 1.78 3.36 -0.31 0.00 -7.23 -0.74 -0.15 120.40 117.12 1mfn s VAL 75 Ca 0.04 -0.91 0.17 0.00 -1.81 0.00 0.00 61.98 59.47 1mfn s VAL 75 Cb -0.13 -2.45 0.47 0.00 0.56 0.00 0.00 36.38 34.84 1mfn s VAL 75 CO -0.06 0.37 1.05 -3.20 -0.31 0.00 0.00 175.10 172.95 1mfn n ASN 76 N 1.55 2.18 0.00 4.85 5.15 -1.09 0.69 115.26 128.59 1mfn n ASN 76 Ca -0.16 -2.66 0.00 0.00 -0.60 0.00 0.00 54.58 51.17 1mfn n ASN 76 Cb 0.52 -0.49 0.00 0.00 -0.53 0.00 0.00 39.78 39.29 1mfn n ASN 76 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1mfn n GLY 77 N -0.37 1.05 0.42 8.20 0.00 -1.26 -4.28 105.19 108.95 1mfn n GLY 77 Ca 0.15 -0.76 0.06 0.00 0.00 0.00 0.00 46.02 45.47 1mfn n GLY 77 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1mfn n ARG 78 N 0.00 1.09 -3.56 1.61 1.85 -1.26 -4.99 116.66 111.40 1mfn n ARG 78 Ca 0.00 -1.06 -0.22 0.00 -1.00 0.00 0.00 57.85 55.57 1mfn n ARG 78 Cb 0.00 -1.21 -0.01 0.00 -1.05 0.00 0.00 32.46 30.19 1mfn n ARG 78 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1mfn s GLU 79 N -1.17 2.45 -0.28 2.89 2.02 -1.26 -5.13 118.70 118.22 1mfn s GLU 79 Ca 0.13 -1.65 -0.06 0.00 0.02 0.00 0.00 54.97 53.41 1mfn s GLU 79 Cb 0.10 -2.36 0.15 0.00 0.10 0.00 0.00 34.13 32.12 1mfn s GLU 79 CO 0.20 -0.37 0.58 -1.21 0.02 0.00 0.00 175.26 174.48 1mfn s GLU 80 N -4.23 0.53 0.77 1.61 2.02 -1.26 -2.66 118.70 115.48 1mfn s GLU 80 Ca 0.47 1.18 -0.13 0.00 0.02 0.00 0.00 54.97 56.51 1mfn s GLU 80 Cb -0.03 0.59 0.20 0.00 0.10 0.00 0.00 34.13 34.99 1mfn s GLU 80 CO 0.28 -0.39 0.46 0.45 0.02 0.00 0.00 175.26 176.08 1mfn n SER 81 N 5.43 -3.12 -4.79 -0.19 2.88 0.78 -4.93 113.62 109.69 1mfn n SER 81 Ca -0.07 -0.47 -0.36 0.00 -1.33 0.00 0.00 58.87 56.64 1mfn n SER 81 Cb 0.50 -0.52 -0.05 0.00 -0.75 0.00 0.00 64.21 63.39 1mfn n SER 81 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1mfn s PRO 82 N -4.10 4.24 -0.46 -1.46 0.04 -1.26 -4.47 135.00 127.53 1mfn s PRO 82 Ca 0.35 1.44 -0.29 0.00 0.04 0.00 0.00 61.00 62.54 1mfn s PRO 82 Cb -0.06 -2.55 0.02 0.00 0.04 0.00 0.00 34.50 31.95 1mfn s PRO 82 CO 0.29 -0.06 1.30 -1.25 0.04 0.00 0.00 177.00 177.32 1mfn s PRO 83 N -2.49 3.61 -0.85 0.56 0.04 -1.26 -4.43 135.00 130.18 1mfn s PRO 83 Ca 0.57 0.73 -0.23 0.00 0.04 0.00 0.00 61.00 62.11 1mfn s PRO 83 Cb -0.20 -3.99 0.07 0.00 0.04 0.00 0.00 34.50 30.42 1mfn s PRO 83 CO 0.25 -1.53 1.22 -1.17 0.04 0.00 0.00 177.00 175.82 1mfn s LEU 84 N 5.09 4.01 0.35 -3.56 2.96 0.12 -4.76 118.68 122.88 1mfn s LEU 84 Ca 0.55 -1.27 -0.14 0.00 -0.22 0.00 0.00 54.13 53.05 1mfn s LEU 84 Cb -0.11 -2.49 -0.08 0.00 0.50 0.00 0.00 46.19 44.01 1mfn s LEU 84 CO 0.32 -1.46 0.75 -0.63 -1.32 0.00 0.00 176.35 174.01 1mfn s ILE 85 N 4.37 4.70 0.34 6.68 1.01 -1.26 -0.20 121.20 136.84 1mfn s ILE 85 Ca 0.35 0.87 0.04 0.00 0.00 0.00 0.00 60.65 61.91 1mfn s ILE 85 Cb -0.07 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 1mfn s ILE 85 CO 0.00 -0.29 0.35 -0.83 0.00 0.00 0.00 174.94 174.17 1mfn s GLY 86 N -2.52 2.08 0.04 6.18 0.00 0.16 -4.88 107.32 108.37 1mfn s GLY 86 Ca 0.54 -1.91 0.04 0.00 0.00 0.00 0.00 44.72 43.39 1mfn s GLY 86 CO 0.21 -1.32 -0.12 1.20 0.00 0.00 0.00 173.10 173.07 1mfn s GLN 87 N -3.29 0.80 0.00 2.90 -0.21 -1.26 -1.03 119.66 117.57 1mfn s GLN 87 Ca 0.38 -0.72 0.00 0.00 0.02 0.00 0.00 55.36 55.03 1mfn s GLN 87 Cb 0.01 -0.76 0.00 0.00 1.00 0.00 0.00 33.01 33.26 1mfn s GLN 87 CO 0.26 0.18 0.00 0.00 -2.12 0.00 0.00 175.29 173.61 1mfn n GLN 88 N 1.85 0.00 -3.64 2.91 -0.00 -1.01 -4.89 117.38 112.60 1mfn n GLN 88 Ca -0.19 0.00 -0.09 0.00 -0.00 0.00 0.00 57.00 56.73 1mfn n GLN 88 Cb 0.55 0.00 -0.07 0.00 -0.00 0.00 0.00 30.24 30.72 1mfn n GLN 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1mfn s ALA 89 N -1.00 -1.98 0.75 2.61 0.00 -1.26 -1.16 121.76 119.72 1mfn s ALA 89 Ca 0.00 2.05 -0.11 0.00 0.00 0.00 0.00 51.96 53.90 1mfn s ALA 89 Cb 0.00 -1.44 0.04 0.00 0.00 0.00 0.00 23.12 21.72 1mfn s ALA 89 CO 0.00 -0.30 1.08 0.95 0.00 0.00 0.00 175.76 177.49 1mfn s THR 90 N 0.68 3.55 0.16 0.00 -4.23 0.54 -4.81 115.64 111.53 1mfn s THR 90 Ca -0.02 0.50 0.02 0.00 -1.18 0.00 0.00 61.69 61.01 1mfn s THR 90 Cb -0.05 -3.23 -0.04 0.00 1.34 0.00 0.00 72.50 70.53 1mfn s THR 90 CO -0.08 -0.66 0.32 -0.69 -0.54 0.00 0.00 174.62 172.97 1mfn s VAL 91 N -3.08 5.29 -0.48 2.29 1.01 -0.66 -1.86 120.40 122.90 1mfn s VAL 91 Ca 0.59 -0.59 -0.28 0.00 0.00 0.00 0.00 61.98 61.71 1mfn s VAL 91 Cb -0.14 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 1mfn s VAL 91 CO 0.55 -0.12 1.73 -0.94 0.00 0.00 0.00 175.10 176.33 1mfn s SER 92 N -3.21 5.72 0.00 3.32 1.04 -1.26 0.07 113.70 119.37 1mfn s SER 92 Ca 0.36 0.73 -0.24 0.00 0.48 0.00 0.00 55.95 57.28 1mfn s SER 92 Cb -0.11 -2.53 -0.15 0.00 0.10 0.00 0.00 66.02 63.33 1mfn s SER 92 CO 0.29 -1.95 1.10 -0.78 0.98 0.00 0.00 173.24 172.88 1mfn h ASP 93 N 13.25 -0.50 -3.87 7.02 1.82 -1.88 -3.35 116.42 128.91 1mfn h ASP 93 Ca -0.29 -0.10 -0.49 0.00 -0.39 0.00 0.00 57.03 55.76 1mfn h ASP 93 Cb 1.15 0.13 0.00 0.00 0.68 0.00 0.00 39.33 41.29 1mfn h ASP 93 CO 1.13 -0.11 0.40 -0.63 -1.61 0.00 0.00 179.24 178.43 1mfn s ILE 94 N -4.44 3.82 -0.02 2.25 1.01 -1.26 -4.91 121.20 117.65 1mfn s ILE 94 Ca -0.13 1.61 -0.04 0.00 0.00 0.00 0.00 60.65 62.09 1mfn s ILE 94 Cb 0.02 -3.93 -0.14 0.00 0.01 0.00 0.00 42.46 38.41 1mfn s ILE 94 CO 0.47 0.21 2.95 -0.81 0.00 0.00 0.00 174.94 177.76 1mfn n PRO 95 N 0.67 1.64 -0.24 2.79 -0.04 -1.26 -4.70 135.00 133.86 1mfn n PRO 95 Ca 0.01 -0.69 -0.31 0.00 -0.04 0.00 0.00 63.50 62.48 1mfn n PRO 95 Cb 0.48 -1.62 0.30 0.00 -0.04 0.00 0.00 33.50 32.61 1mfn n PRO 95 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1mfn s ARG 96 N 0.46 -3.34 0.00 0.54 1.70 -1.26 -3.28 118.95 113.76 1mfn s ARG 96 Ca 0.41 0.14 0.00 0.00 -0.47 0.00 0.00 55.73 55.81 1mfn s ARG 96 Cb 0.20 -1.33 0.00 0.00 -0.57 0.00 0.00 34.95 33.25 1mfn s ARG 96 CO -0.01 -5.14 0.00 -3.47 -1.08 0.00 0.00 175.30 165.60 1mfn n ASP 97 N -5.83 -3.97 -4.53 -2.89 2.03 -1.26 -2.17 116.55 97.92 1mfn n ASP 97 Ca 0.13 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 55.06 1mfn n ASP 97 Cb 0.60 -2.24 -0.07 0.00 -0.72 0.00 0.00 41.12 38.69 1mfn n ASP 97 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1mfn n LEU 98 N 0.00 1.67 -4.35 -2.67 0.00 -1.21 -4.46 117.00 105.98 1mfn n LEU 98 Ca 0.00 -0.30 -0.21 0.00 0.00 0.00 0.00 56.01 55.50 1mfn n LEU 98 Cb 0.26 -1.38 -0.11 0.00 0.00 0.00 0.00 43.42 42.19 1mfn n LEU 98 CO 0.00 -1.31 -0.47 -1.83 0.00 0.00 0.00 177.39 173.78 1mfn s GLU 99 N 8.52 1.34 0.04 1.96 -1.05 -1.06 -4.90 118.70 123.55 1mfn s GLU 99 Ca 1.10 -1.51 -0.17 0.00 -0.15 0.00 0.00 54.97 54.24 1mfn s GLU 99 Cb -0.52 -1.31 -0.06 0.00 -0.44 0.00 0.00 34.13 31.80 1mfn s GLU 99 CO 0.33 0.25 0.50 0.54 0.95 0.00 0.00 175.26 177.83 1mfn s VAL 100 N -2.40 4.88 0.00 1.83 0.11 -1.26 -2.18 120.40 121.39 1mfn s VAL 100 Ca 0.19 1.05 0.00 0.00 -2.93 0.00 0.00 61.98 60.29 1mfn s VAL 100 Cb -0.04 -3.82 0.00 0.00 -1.53 0.00 0.00 36.38 31.00 1mfn s VAL 100 CO 0.08 0.56 0.15 2.30 -3.33 0.00 0.00 175.10 174.86 1mfn n ILE 101 N 1.82 0.00 -3.35 7.04 -5.35 -0.95 -4.94 119.36 113.63 1mfn n ILE 101 Ca -0.12 -0.37 -0.14 0.00 -0.27 0.00 0.00 62.75 61.85 1mfn n ILE 101 Cb 0.51 1.11 -0.08 0.00 -1.74 0.00 0.00 39.64 39.45 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 -0.43 -0.76 -0.91 -1.28 0.00 -1.26 -4.96 121.76 112.16 1mfn s ALA 102 Ca 0.00 -0.26 -0.19 0.00 0.00 0.00 0.00 51.96 51.52 1mfn s ALA 102 Cb 0.00 -1.98 0.13 0.00 0.00 0.00 0.00 23.12 21.28 1mfn s ALA 102 CO 0.00 -1.83 1.10 -1.54 0.00 0.00 0.00 175.76 173.49 1mfn s SER 103 N 2.22 6.61 0.57 0.00 1.04 -1.26 -1.46 113.70 121.42 1mfn s SER 103 Ca 0.11 -2.02 -0.13 0.00 0.48 0.00 0.00 55.95 54.39 1mfn s SER 103 Cb -0.13 -2.39 -0.06 0.00 0.10 0.00 0.00 66.02 63.54 1mfn s SER 103 CO -0.25 -1.06 1.00 0.42 0.98 0.00 0.00 173.24 174.33 1mfn s THR 104 N 2.63 4.64 -1.73 2.02 -4.23 0.27 -4.91 115.64 114.33 1mfn s THR 104 Ca 0.31 1.00 0.15 0.00 -1.18 0.00 0.00 61.69 61.98 1mfn s THR 104 Cb -0.06 -3.80 0.36 0.00 1.34 0.00 0.00 72.50 70.34 1mfn s THR 104 CO -0.08 -0.93 1.38 -0.81 -0.54 0.00 0.00 174.62 173.64 1mfn n PRO 105 N -2.20 0.36 -0.42 3.99 -0.04 -1.26 -2.73 135.00 132.70 1mfn n PRO 105 Ca 0.06 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1mfn n PRO 105 Cb 0.54 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.14 0.00 -3.77 0.52 -2.24 -1.26 -4.32 114.28 102.07 1mfn n THR 106 Ca 0.10 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.84 1mfn n THR 106 Cb 0.09 0.28 -0.01 0.00 -2.10 0.00 0.00 70.33 68.58 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 -0.40 -0.13 0.02 3.42 1.04 -1.11 -2.82 113.70 113.73 1mfn s SER 107 Ca 0.00 -0.45 -0.07 0.00 0.48 0.00 0.00 55.95 55.91 1mfn s SER 107 Cb 0.00 0.48 -0.00 0.00 0.10 0.00 0.00 66.02 66.60 1mfn s SER 107 CO 0.00 -0.90 0.12 -0.76 0.98 0.00 0.00 173.24 172.68 1mfn s LEU 108 N -3.03 1.65 -0.25 2.42 1.43 -0.06 -0.56 118.68 120.29 1mfn s LEU 108 Ca 0.14 -0.37 -0.07 0.00 -1.03 0.00 0.00 54.13 52.79 1mfn s LEU 108 Cb -0.01 0.66 -0.03 0.00 0.03 0.00 0.00 46.19 46.84 1mfn s LEU 108 CO 0.03 -0.45 0.07 -0.22 0.23 0.00 0.00 176.35 176.01 1mfn s LEU 109 N -1.79 3.49 -0.10 1.79 0.20 -0.53 -1.04 118.68 120.69 1mfn s LEU 109 Ca -0.09 -0.18 -0.03 0.00 0.69 0.00 0.00 54.13 54.52 1mfn s LEU 109 Cb -0.04 -1.93 -0.03 0.00 -0.43 0.00 0.00 46.19 43.75 1mfn s LEU 109 CO -0.02 -0.02 0.01 0.27 -0.29 0.00 0.00 176.35 176.31 1mfn s ILE 110 N 1.53 4.41 -0.13 6.68 -4.36 -0.36 -2.24 121.20 126.73 1mfn s ILE 110 Ca 0.06 -0.20 -0.04 0.00 -0.26 0.00 0.00 60.65 60.21 1mfn s ILE 110 Cb -0.15 -2.88 0.06 0.00 1.25 0.00 0.00 42.46 40.74 1mfn s ILE 110 CO 0.04 0.58 0.15 -0.55 0.24 0.00 0.00 174.94 175.40 1mfn s SER 111 N -0.65 1.29 0.35 4.36 0.15 -0.92 -0.74 113.70 117.53 1mfn s SER 111 Ca 0.11 -0.04 0.02 0.00 0.70 0.00 0.00 55.95 56.74 1mfn s SER 111 Cb -0.12 0.16 -0.01 0.00 -1.71 0.00 0.00 66.02 64.35 1mfn s SER 111 CO 0.02 -0.29 0.06 -2.67 1.20 0.00 0.00 173.24 171.57 1mfn n TRP 112 N 5.31 0.46 -1.70 3.44 2.14 -1.05 -2.55 117.44 123.49 1mfn n TRP 112 Ca -0.05 -2.00 -0.44 0.00 2.07 0.00 0.00 57.50 57.08 1mfn n TRP 112 Cb 0.50 -0.12 -0.03 0.00 -0.81 0.00 0.00 31.31 30.85 1mfn n TRP 112 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 1mfn n GLU 113 N -0.83 2.31 -2.60 -2.67 -0.58 -0.92 -4.70 120.64 110.65 1mfn n GLU 113 Ca -0.10 0.83 -0.43 0.00 -0.42 0.00 0.00 57.16 57.04 1mfn n GLU 113 Cb 0.49 -2.55 -0.02 0.00 -0.57 0.00 0.00 31.44 28.78 1mfn n GLU 113 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1mfn s PRO 114 N -0.13 3.72 0.68 3.49 0.04 -1.26 -4.70 135.00 136.83 1mfn s PRO 114 Ca 0.69 0.56 -0.10 0.00 0.04 0.00 0.00 61.00 62.18 1mfn s PRO 114 Cb -0.60 -3.91 0.01 0.00 0.04 0.00 0.00 34.50 30.04 1mfn s PRO 114 CO 0.46 -1.40 1.05 -1.25 0.04 0.00 0.00 177.00 175.91 1mfn s PRO 115 N 4.48 2.90 0.00 0.56 0.04 -1.26 -4.45 135.00 137.28 1mfn s PRO 115 Ca 0.48 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.89 1mfn s PRO 115 Cb -0.07 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1mfn s PRO 115 CO 0.32 -0.94 0.65 0.00 0.04 0.00 0.00 177.00 177.06 1mfn n ALA 116 N -2.91 1.42 -1.89 8.56 0.00 -1.26 -4.97 120.51 119.47 1mfn n ALA 116 Ca 0.06 -0.62 -0.30 0.00 0.00 0.00 0.00 53.44 52.58 1mfn n ALA 116 Cb 0.57 -0.18 0.21 0.00 0.00 0.00 0.00 19.45 20.05 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 0.00 1.97 -0.72 0.00 -7.23 -1.26 -4.82 120.40 108.33 1mfn s VAL 117 Ca 0.00 0.00 -0.05 0.00 -1.81 0.00 0.00 61.98 60.12 1mfn s VAL 117 Cb 0.00 -2.97 -0.05 0.00 0.56 0.00 0.00 36.38 33.92 1mfn s VAL 117 CO 0.00 0.00 1.94 -1.20 -0.31 0.00 0.00 175.10 175.53 1mfn n SER 118 N -3.93 4.07 -4.69 4.85 7.64 -1.26 -4.86 113.62 115.44 1mfn n SER 118 Ca 0.17 -2.25 -0.42 0.00 1.01 0.00 0.00 58.87 57.37 1mfn n SER 118 Cb 0.59 -0.98 -0.03 0.00 -1.01 0.00 0.00 64.21 62.78 1mfn n SER 118 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1mfn s VAL 119 N 3.55 4.15 -0.06 0.44 1.01 -1.26 -4.26 120.40 123.97 1mfn s VAL 119 Ca 0.33 1.50 -0.12 0.00 0.00 0.00 0.00 61.98 63.69 1mfn s VAL 119 Cb 0.09 -3.96 -0.08 0.00 0.00 0.00 0.00 36.38 32.43 1mfn s VAL 119 CO -0.03 0.01 0.48 -0.09 0.00 0.00 0.00 175.10 175.48 1mfn h ARG 120 N 7.42 -0.29 -2.31 2.72 1.12 0.34 -3.46 114.38 119.93 1mfn h ARG 120 Ca -0.36 0.02 0.13 0.00 -1.11 0.00 0.00 59.98 58.66 1mfn h ARG 120 Cb 1.17 0.07 -0.13 0.00 -0.01 0.00 0.00 29.97 31.07 1mfn h ARG 120 CO 0.87 -0.09 0.49 1.52 -3.11 0.00 0.00 179.97 179.65 1mfn s TYR 121 N -2.75 -0.27 -0.18 2.20 -0.85 -1.05 -4.38 117.35 110.05 1mfn s TYR 121 Ca -0.07 0.08 -0.07 0.00 -0.52 0.00 0.00 57.07 56.49 1mfn s TYR 121 Cb 0.00 0.57 -0.04 0.00 0.38 0.00 0.00 41.96 42.88 1mfn s TYR 121 CO 0.23 -0.64 0.06 0.71 -1.52 0.00 0.00 175.55 174.39 1mfn s TYR 122 N -3.18 3.25 -0.99 -3.49 2.02 -1.00 -1.62 117.35 112.34 1mfn s TYR 122 Ca 0.07 0.06 -0.14 0.00 -0.37 0.00 0.00 57.07 56.69 1mfn s TYR 122 Cb -0.01 -2.08 0.20 0.00 -0.40 0.00 0.00 41.96 39.67 1mfn s TYR 122 CO -0.05 0.14 1.07 0.50 -1.57 0.00 0.00 175.55 175.63 1mfn s ARG 123 N 0.41 3.83 0.41 -0.62 3.52 0.24 -0.10 118.95 126.64 1mfn s ARG 123 Ca 0.03 -2.48 -0.14 0.00 -0.13 0.00 0.00 55.73 53.02 1mfn s ARG 123 Cb -0.12 -4.70 -0.08 0.00 -1.56 0.00 0.00 34.95 28.48 1mfn s ARG 123 CO 0.00 -1.49 0.82 0.42 -0.81 0.00 0.00 175.30 174.24 1mfn s ILE 124 N 0.75 4.68 0.01 4.11 1.01 -0.34 -0.99 121.20 130.43 1mfn s ILE 124 Ca 0.29 0.89 0.01 0.00 0.00 0.00 0.00 60.65 61.84 1mfn s ILE 124 Cb -0.07 -3.69 -0.01 0.00 0.01 0.00 0.00 42.46 38.70 1mfn s ILE 124 CO -0.07 -0.46 -0.02 0.42 0.00 0.00 0.00 174.94 174.81 1mfn s THR 125 N -2.31 0.16 -0.07 2.92 -4.23 0.14 0.20 115.64 112.44 1mfn s THR 125 Ca 0.54 -0.29 -0.30 0.00 -1.18 0.00 0.00 61.69 60.47 1mfn s THR 125 Cb -0.10 -0.18 -0.02 0.00 1.34 0.00 0.00 72.50 73.54 1mfn s THR 125 CO 0.26 -0.09 1.02 -0.31 -0.54 0.00 0.00 174.62 174.97 1mfn s TYR 126 N -0.38 3.53 -0.25 3.99 1.51 0.49 -2.57 117.35 123.67 1mfn s TYR 126 Ca -0.03 1.59 -0.08 0.00 -1.01 0.00 0.00 57.07 57.54 1mfn s TYR 126 Cb -0.03 -3.19 -0.03 0.00 -0.11 0.00 0.00 41.96 38.60 1mfn s TYR 126 CO -0.00 -0.26 0.08 0.20 -1.11 0.00 0.00 175.55 174.46 1mfn s GLY 127 N 1.10 1.79 0.61 0.71 0.00 0.17 -2.71 107.32 108.98 1mfn s GLY 127 Ca 0.50 -1.11 -0.01 0.00 0.00 0.00 0.00 44.72 44.09 1mfn s GLY 127 CO 0.21 0.53 0.86 -0.54 0.00 0.00 0.00 173.10 174.16 1mfn s GLU 128 N 1.58 2.40 0.57 2.90 2.02 -1.26 0.20 118.70 127.12 1mfn s GLU 128 Ca 0.06 -0.61 0.43 0.00 0.02 0.00 0.00 54.97 54.87 1mfn s GLU 128 Cb -0.15 -2.37 1.47 0.00 0.10 0.00 0.00 34.13 33.17 1mfn s GLU 128 CO 0.04 -0.91 1.47 0.25 0.02 0.00 0.00 175.26 176.13 1mfn n THR 129 N -2.55 0.00 0.00 3.63 -2.24 0.15 -2.26 114.28 111.01 1mfn n THR 129 Ca 0.08 1.41 0.00 0.00 -2.27 0.00 0.00 64.05 63.27 1mfn n THR 129 Cb 0.60 -2.40 0.00 0.00 -2.10 0.00 0.00 70.33 66.43 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 -1.85 -2.73 0.24 3.38 0.00 -1.26 -4.89 105.19 98.07 1mfn n GLY 130 Ca 0.38 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1mfn n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mfn n GLY 131 N -0.27 -0.28 1.66 -0.02 0.00 -0.96 -5.11 105.19 100.21 1mfn n GLY 131 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1mfn n GLY 131 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mfn n ASN 132 N 0.00 0.00 0.00 1.61 3.02 -1.26 -5.10 115.26 113.53 1mfn n ASN 132 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1mfn n ASN 132 Cb 0.00 0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 1mfn n ASN 132 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1mfn n SER 133 N -2.24 0.00 -3.85 6.41 7.64 -1.26 -5.02 113.62 115.29 1mfn n SER 133 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1mfn n SER 133 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1mfn n SER 133 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1mfn n PRO 134 N 0.00 2.64 0.00 1.43 -0.04 -1.26 -4.85 135.00 132.92 1mfn n PRO 134 Ca 0.00 -2.56 0.00 0.00 -0.04 0.00 0.00 63.50 60.90 1mfn n PRO 134 Cb 0.00 -3.27 0.00 0.00 -0.04 0.00 0.00 33.50 30.19 1mfn n PRO 134 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1mfn n VAL 135 N 5.50 0.00 -2.29 0.52 0.31 -1.26 -4.95 118.33 116.15 1mfn n VAL 135 Ca 0.51 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 64.41 1mfn n VAL 135 Cb 0.40 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.33 1mfn n VAL 135 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1mfn n GLN 136 N 0.00 3.10 -2.47 5.55 7.27 -1.10 -4.81 117.38 124.92 1mfn n GLN 136 Ca 0.00 -3.09 -0.43 0.00 0.07 0.00 0.00 57.00 53.56 1mfn n GLN 136 Cb 0.00 -3.38 -0.02 0.00 2.41 0.00 0.00 30.24 29.25 1mfn n GLN 136 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1mfn s GLU 137 N 3.55 4.08 -0.03 3.69 -6.30 -1.26 -0.38 118.70 122.06 1mfn s GLU 137 Ca 0.50 1.39 0.07 0.00 -2.50 0.00 0.00 54.97 54.43 1mfn s GLU 137 Cb 0.07 -3.80 -0.02 0.00 0.00 0.00 0.00 34.13 30.39 1mfn s GLU 137 CO 0.01 -0.90 -0.23 -0.59 0.02 0.00 0.00 175.26 173.57 1mfn s PHE 138 N 3.86 2.13 0.89 5.30 -0.12 0.53 -4.93 117.98 125.64 1mfn s PHE 138 Ca 0.53 -0.47 -0.12 0.00 -0.05 0.00 0.00 56.93 56.82 1mfn s PHE 138 Cb -0.18 -1.38 0.13 0.00 -0.63 0.00 0.00 43.02 40.95 1mfn s PHE 138 CO 0.17 -0.09 1.12 0.95 -0.05 0.00 0.00 175.22 177.33 1mfn s THR 139 N -0.41 2.31 0.00 -4.49 -4.23 -1.26 -1.20 115.64 106.36 1mfn s THR 139 Ca 0.05 0.10 0.01 0.00 -1.18 0.00 0.00 61.69 60.67 1mfn s THR 139 Cb -0.10 -2.81 -0.00 0.00 1.34 0.00 0.00 72.50 70.92 1mfn s THR 139 CO 0.00 -0.13 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.24 1mfn s VAL 140 N -3.20 0.19 0.29 2.29 1.01 0.85 -4.77 120.40 117.06 1mfn s VAL 140 Ca 0.63 -0.23 -0.28 0.00 0.00 0.00 0.00 61.98 62.10 1mfn s VAL 140 Cb -0.15 -0.19 -0.09 0.00 0.00 0.00 0.00 36.38 35.94 1mfn s VAL 140 CO 0.54 -0.03 1.02 -2.16 0.00 0.00 0.00 175.10 174.47 1mfn s PRO 141 N -0.27 4.64 -0.49 2.72 0.04 -1.26 -2.36 135.00 138.02 1mfn s PRO 141 Ca -0.01 1.59 -0.06 0.00 0.04 0.00 0.00 61.00 62.56 1mfn s PRO 141 Cb -0.02 -3.08 -0.17 0.00 0.04 0.00 0.00 34.50 31.27 1mfn s PRO 141 CO -0.00 0.28 2.96 0.41 0.04 0.00 0.00 177.00 180.69 1mfn n GLY 142 N 1.09 3.09 0.00 0.56 0.00 -1.26 -4.05 105.19 104.62 1mfn n GLY 142 Ca -0.00 -1.10 0.08 0.00 0.00 0.00 0.00 46.02 45.00 1mfn n GLY 142 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1mfn n SER 143 N 3.01 0.84 0.00 1.61 2.88 -1.26 -5.05 113.62 115.65 1mfn n SER 143 Ca 0.47 -0.74 0.00 0.00 -1.33 0.00 0.00 58.87 57.27 1mfn n SER 143 Cb 0.57 1.15 0.00 0.00 -0.75 0.00 0.00 64.21 65.18 1mfn n SER 143 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1mfn n LYS 144 N -1.54 -1.76 0.00 -1.46 4.76 -1.26 -5.00 118.16 111.91 1mfn n LYS 144 Ca 0.02 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.59 1mfn n LYS 144 Cb 0.31 0.00 0.27 0.00 -1.84 0.00 0.00 35.03 33.77 1mfn n LYS 144 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1mfn n SER 145 N 0.00 2.10 -4.68 4.39 3.41 -1.26 -4.85 113.62 112.73 1mfn n SER 145 Ca 0.00 -1.63 -0.35 0.00 -0.26 0.00 0.00 58.87 56.64 1mfn n SER 145 Cb 0.00 0.08 -0.09 0.00 -0.26 0.00 0.00 64.21 63.94 1mfn n SER 145 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1mfn s THR 146 N -2.12 5.07 0.16 6.66 -4.23 -1.26 -2.54 115.64 117.39 1mfn s THR 146 Ca 0.30 0.07 0.07 0.00 -1.18 0.00 0.00 61.69 60.95 1mfn s THR 146 Cb 0.20 -3.30 -0.04 0.00 1.34 0.00 0.00 72.50 70.70 1mfn s THR 146 CO 0.37 0.45 -0.16 0.00 -0.54 0.00 0.00 174.62 174.74 1mfn s ALA 147 N 0.39 1.86 0.10 3.99 0.00 0.08 -4.96 121.76 123.21 1mfn s ALA 147 Ca 0.05 -1.48 0.02 0.00 0.00 0.00 0.00 51.96 50.55 1mfn s ALA 147 Cb -0.12 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 1mfn s ALA 147 CO -0.01 0.14 0.22 0.99 0.00 0.00 0.00 175.76 177.11 1mfn s THR 148 N -2.36 5.24 -0.24 0.00 2.01 -1.26 -1.22 115.64 117.80 1mfn s THR 148 Ca 0.16 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.58 1mfn s THR 148 Cb -0.04 -3.62 0.07 0.00 0.01 0.00 0.00 72.50 68.92 1mfn s THR 148 CO 0.05 0.03 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.38 1mfn s ILE 149 N -1.61 1.29 0.36 1.82 -1.09 -0.21 -4.95 121.20 116.81 1mfn s ILE 149 Ca 0.34 -1.19 0.09 0.00 -2.23 0.00 0.00 60.65 57.66 1mfn s ILE 149 Cb -0.12 -1.69 -0.06 0.00 -1.58 0.00 0.00 42.46 39.02 1mfn s ILE 149 CO 0.27 -0.24 0.04 0.20 -1.23 0.00 0.00 174.94 173.99 1mfn s ASN 150 N 1.48 4.20 -0.29 3.58 -0.87 -1.26 -0.88 114.94 120.90 1mfn s ASN 150 Ca -0.02 -1.04 -0.01 0.00 -1.57 0.00 0.00 52.86 50.22 1mfn s ASN 150 Cb -0.18 -0.51 0.00 0.00 -0.02 0.00 0.00 41.25 40.53 1mfn s ASN 150 CO -0.09 -0.31 0.18 0.59 -2.57 0.00 0.00 177.10 174.90 1mfn n ASN 151 N -1.00 -2.66 -4.94 -1.22 3.02 -1.14 -4.97 115.26 102.35 1mfn n ASN 151 Ca -0.04 -0.08 -0.26 0.00 -0.03 0.00 0.00 54.58 54.17 1mfn n ASN 151 Cb 0.63 -1.39 -0.03 0.00 -0.61 0.00 0.00 39.78 38.39 1mfn n ASN 151 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1mfn s ILE 152 N -2.87 5.20 -0.30 2.41 2.07 -1.13 -5.05 121.20 121.54 1mfn s ILE 152 Ca 0.09 -0.47 -0.25 0.00 -1.41 0.00 0.00 60.65 58.61 1mfn s ILE 152 Cb -0.04 -3.77 0.00 0.00 0.13 0.00 0.00 42.46 38.78 1mfn s ILE 152 CO 0.11 -0.25 0.87 -0.54 -1.91 0.00 0.00 174.94 173.21 1mfn s LYS 153 N -3.57 4.03 -1.32 3.50 1.02 -1.26 -4.78 119.74 117.36 1mfn s LYS 153 Ca 0.38 0.78 -0.17 0.00 0.02 0.00 0.00 55.97 56.98 1mfn s LYS 153 Cb -0.10 -3.71 0.04 0.00 -0.52 0.00 0.00 37.83 33.53 1mfn s LYS 153 CO 0.30 -0.70 1.94 -0.35 -0.92 0.00 0.00 175.35 175.62 1mfn n PRO 154 N 6.32 2.86 0.00 -1.68 -0.04 -1.26 -4.24 135.00 136.97 1mfn n PRO 154 Ca 0.06 -2.90 0.00 0.00 -0.04 0.00 0.00 63.50 60.62 1mfn n PRO 154 Cb 0.48 -3.41 0.00 0.00 -0.04 0.00 0.00 33.50 30.53 1mfn n PRO 154 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mfn n GLY 155 N 4.92 -0.28 0.00 0.55 0.00 -1.26 -5.03 105.19 104.08 1mfn n GLY 155 Ca 0.50 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1mfn n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mfn n ALA 156 N 0.00 0.00 -0.83 4.61 0.00 -1.23 -4.95 120.51 118.11 1mfn n ALA 156 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1mfn n ALA 156 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 1mfn n ALA 156 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1mfn n ASP 157 N 0.00 -3.08 -0.74 0.00 -0.08 -1.26 -2.35 116.55 109.03 1mfn n ASP 157 Ca 0.00 0.11 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 1mfn n ASP 157 Cb 0.00 -0.94 0.00 0.00 2.34 0.00 0.00 41.12 42.52 1mfn n ASP 157 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1mfn n TYR 158 N -3.63 -0.19 -3.15 -0.67 4.02 0.21 0.32 117.16 114.08 1mfn n TYR 158 Ca 0.02 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.96 1mfn n TYR 158 Cb 0.60 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.92 1mfn n TYR 158 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1mfn s THR 159 N -2.06 -0.52 -0.28 -0.72 2.01 0.54 -2.50 115.64 112.11 1mfn s THR 159 Ca 0.00 0.00 -0.22 0.00 0.31 0.00 0.00 61.69 61.78 1mfn s THR 159 Cb 0.00 -0.65 -0.01 0.00 0.01 0.00 0.00 72.50 71.85 1mfn s THR 159 CO 0.00 0.00 0.71 -0.63 -0.69 0.00 0.00 174.62 174.01 1mfn s ILE 160 N 2.92 4.89 0.28 1.82 -1.09 0.24 0.44 121.20 130.70 1mfn s ILE 160 Ca 0.17 1.16 0.06 0.00 -2.23 0.00 0.00 60.65 59.81 1mfn s ILE 160 Cb -0.07 -4.04 -0.06 0.00 -1.58 0.00 0.00 42.46 36.71 1mfn s ILE 160 CO -0.21 -0.11 -0.04 -0.89 -1.23 0.00 0.00 174.94 172.46 1mfn s THR 161 N 2.72 1.55 -0.06 2.92 2.01 -1.06 0.53 115.64 124.24 1mfn s THR 161 Ca 0.29 -2.10 -0.29 0.00 0.31 0.00 0.00 61.69 59.90 1mfn s THR 161 Cb -0.15 -2.48 0.10 0.00 0.01 0.00 0.00 72.50 69.99 1mfn s THR 161 CO 0.10 -0.27 0.87 -1.48 -0.69 0.00 0.00 174.62 173.15 1mfn s LEU 162 N -3.44 -0.44 0.25 4.42 0.05 -0.84 0.26 118.68 118.94 1mfn s LEU 162 Ca 0.30 0.29 0.10 0.00 0.05 0.00 0.00 54.13 54.87 1mfn s LEU 162 Cb 0.04 2.11 -0.05 0.00 -2.05 0.00 0.00 46.19 46.24 1mfn s LEU 162 CO 0.12 -0.54 -0.17 -0.31 -0.55 0.00 0.00 176.35 174.90 1mfn s TYR 163 N -2.06 2.06 -0.31 3.48 1.51 -0.16 -2.60 117.35 119.28 1mfn s TYR 163 Ca -0.01 -0.44 0.01 0.00 -1.01 0.00 0.00 57.07 55.62 1mfn s TYR 163 Cb -0.01 -0.94 0.09 0.00 -0.11 0.00 0.00 41.96 41.00 1mfn s TYR 163 CO -0.02 0.56 0.06 0.00 -1.11 0.00 0.00 175.55 175.04 1mfn s ALA 164 N -2.71 2.03 -0.05 3.71 0.00 -1.19 0.80 121.76 124.35 1mfn s ALA 164 Ca 0.27 -1.88 -0.22 0.00 0.00 0.00 0.00 51.96 50.13 1mfn s ALA 164 Cb -0.03 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 1mfn s ALA 164 CO 0.12 -1.59 0.65 0.08 0.00 0.00 0.00 175.76 175.01 1mfn s VAL 165 N 1.36 5.01 0.06 0.00 1.01 -0.64 -3.22 120.40 123.99 1mfn s VAL 165 Ca 0.08 1.34 0.00 0.00 0.00 0.00 0.00 61.98 63.40 1mfn s VAL 165 Cb -0.18 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1mfn s VAL 165 CO -0.16 0.31 0.00 0.35 0.00 0.00 0.00 175.10 175.59 1mfn n THR 166 N 3.46 0.17 -1.47 3.92 -2.24 -1.14 0.26 114.28 117.25 1mfn n THR 166 Ca -0.03 0.06 -0.48 0.00 -2.27 0.00 0.00 64.05 61.33 1mfn n THR 166 Cb 0.51 -0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 68.09 1mfn n THR 166 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mfn n GLY 167 N 2.41 -1.18 2.61 3.38 0.00 -1.26 -4.38 105.19 106.77 1mfn n GLY 167 Ca 0.00 0.36 -0.26 0.00 0.00 0.00 0.00 46.02 46.13 1mfn n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mfn s ARG 168 N -1.08 0.16 0.00 1.61 1.81 -1.26 -4.14 118.95 116.05 1mfn s ARG 168 Ca 0.64 -0.26 0.00 0.00 -1.72 0.00 0.00 55.73 54.39 1mfn s ARG 168 Cb -0.88 -1.35 0.00 0.00 -0.45 0.00 0.00 34.95 32.27 1mfn s ARG 168 CO 0.57 -0.86 0.00 0.41 -0.68 0.00 0.00 175.30 174.74 1mfn n GLY 169 N 5.27 -0.44 1.03 -3.53 0.00 -1.26 -4.91 105.19 101.35 1mfn n GLY 169 Ca -0.06 0.24 0.07 0.00 0.00 0.00 0.00 46.02 46.27 1mfn n GLY 169 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mfn n ASP 170 N 0.00 2.97 -2.77 1.61 5.75 -1.26 -4.39 116.55 118.47 1mfn n ASP 170 Ca 0.00 -2.13 -0.09 0.00 -0.01 0.00 0.00 54.79 52.56 1mfn n ASP 170 Cb 0.00 -0.39 0.06 0.00 -1.03 0.00 0.00 41.12 39.76 1mfn n ASP 170 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1mfn n SER 171 N 0.84 -2.40 -4.55 -1.12 7.64 -1.26 -5.09 113.62 107.69 1mfn n SER 171 Ca 0.17 -3.47 -0.40 0.00 1.01 0.00 0.00 58.87 56.18 1mfn n SER 171 Cb 0.52 1.71 -0.03 0.00 -1.01 0.00 0.00 64.21 65.40 1mfn n SER 171 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1mfn s PRO 172 N 0.31 3.13 0.55 1.43 0.04 -1.26 -4.60 135.00 134.59 1mfn s PRO 172 Ca 0.28 -0.19 0.08 0.00 0.04 0.00 0.00 61.00 61.20 1mfn s PRO 172 Cb 0.26 -4.34 0.08 0.00 0.04 0.00 0.00 34.50 30.53 1mfn s PRO 172 CO -0.14 -2.27 0.63 0.00 0.04 0.00 0.00 177.00 175.26 1mfn n ALA 173 N 9.96 1.05 -2.69 8.56 0.00 -1.26 -4.97 120.51 131.16 1mfn n ALA 173 Ca 0.09 -2.05 -0.07 0.00 0.00 0.00 0.00 53.44 51.41 1mfn n ALA 173 Cb 0.50 0.67 0.05 0.00 0.00 0.00 0.00 19.45 20.67 1mfn n ALA 173 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1mfn n SER 174 N -2.17 0.69 -0.07 0.00 3.41 -1.26 -2.88 113.62 111.35 1mfn n SER 174 Ca 0.09 -2.55 0.00 0.00 -0.26 0.00 0.00 58.87 56.15 1mfn n SER 174 Cb 0.58 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 1mfn n SER 174 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1mfn n SER 175 N -0.30 -0.51 -4.83 4.04 3.41 -1.20 -3.15 113.62 111.08 1mfn n SER 175 Ca 0.05 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.28 1mfn n SER 175 Cb 0.83 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.72 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 0.00 3.93 0.29 4.33 1.02 -1.26 -4.82 119.74 123.23 1mfn s LYS 176 Ca 0.00 0.42 -0.29 0.00 0.02 0.00 0.00 55.97 56.12 1mfn s LYS 176 Cb 0.00 -3.23 -0.09 0.00 -0.52 0.00 0.00 37.83 33.99 1mfn s LYS 176 CO 0.00 0.68 1.05 -1.25 -0.92 0.00 0.00 175.35 174.90 1mfn s PRO 177 N -1.03 4.64 -0.03 -1.68 0.04 -1.26 -4.78 135.00 130.89 1mfn s PRO 177 Ca 0.24 1.67 0.07 0.00 0.04 0.00 0.00 61.00 63.01 1mfn s PRO 177 Cb -0.17 -3.12 -0.01 0.00 0.04 0.00 0.00 34.50 31.24 1mfn s PRO 177 CO 0.13 0.25 -0.23 0.08 0.04 0.00 0.00 177.00 177.28 1mfn s VAL 178 N -1.25 1.83 0.11 -0.36 1.01 -1.07 -4.98 120.40 115.70 1mfn s VAL 178 Ca 0.45 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.51 1mfn s VAL 178 Cb -0.29 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1mfn s VAL 178 CO 0.36 0.52 -0.12 -0.44 0.00 0.00 0.00 175.10 175.42 1mfn s SER 179 N -0.37 1.71 0.05 3.32 0.01 -1.26 -2.00 113.70 115.16 1mfn s SER 179 Ca 0.04 -0.83 0.01 0.00 1.31 0.00 0.00 55.95 56.49 1mfn s SER 179 Cb -0.10 -0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.07 1mfn s SER 179 CO 0.01 -0.22 -0.06 0.27 0.41 0.00 0.00 173.24 173.64 1mfn s ILE 180 N -2.39 0.48 0.34 1.44 -4.36 0.19 -4.95 121.20 111.94 1mfn s ILE 180 Ca 0.08 -1.32 -0.04 0.00 -0.26 0.00 0.00 60.65 59.10 1mfn s ILE 180 Cb -0.03 -0.89 -0.05 0.00 1.25 0.00 0.00 42.46 42.74 1mfn s ILE 180 CO 0.01 -0.58 0.60 0.20 0.24 0.00 0.00 174.94 175.42 1mfn s ASN 181 N -2.03 6.39 0.21 4.36 -0.87 -1.26 0.80 114.94 122.54 1mfn s ASN 181 Ca -0.04 0.71 -0.05 0.00 -1.57 0.00 0.00 52.86 51.91 1mfn s ASN 181 Cb -0.05 -2.14 -0.03 0.00 -0.02 0.00 0.00 41.25 39.01 1mfn s ASN 181 CO -0.02 -0.29 0.24 -0.47 -2.57 0.00 0.00 177.10 174.00 1mfn s TYR 182 N -2.25 0.88 -0.04 2.20 5.04 -1.04 -4.75 117.35 117.39 1mfn s TYR 182 Ca 0.44 -1.15 -0.02 0.00 -2.44 0.00 0.00 57.07 53.90 1mfn s TYR 182 Cb -0.10 -0.30 0.03 0.00 0.35 0.00 0.00 41.96 41.93 1mfn s TYR 182 CO 0.34 -0.75 0.05 0.21 -1.34 0.00 0.00 175.55 174.06 1mfn s LYS 183 N -4.11 -0.05 0.00 4.97 2.20 -1.26 0.66 119.74 122.15 1mfn s LYS 183 Ca 0.33 0.34 0.18 0.00 -0.36 0.00 0.00 55.97 56.46 1mfn s LYS 183 Cb 0.04 -0.48 0.14 0.00 -1.51 0.00 0.00 37.83 36.03 1mfn s LYS 183 CO 0.11 -0.30 1.08 0.25 -0.36 0.00 0.00 175.35 176.12