#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 -4.53 0.99 -0.00 -1.26 -5.07 117.00 107.13 1mfn n LEU 2 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.70 1mfn n LEU 2 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.31 1mfn n LEU 2 CO 0.00 0.00 -0.44 -1.81 -0.00 0.00 0.00 177.39 175.14 1mfn s ASP 3 N 0.79 4.22 0.25 1.45 1.11 -1.26 -4.79 116.67 118.45 1mfn s ASP 3 Ca 0.00 -0.33 -0.01 0.00 0.18 0.00 0.00 52.55 52.39 1mfn s ASP 3 Cb 0.00 -0.82 -0.04 0.00 1.07 0.00 0.00 42.92 43.13 1mfn s ASP 3 CO 0.00 0.24 0.46 -0.94 1.18 0.00 0.00 175.17 176.11 1mfn s SER 4 N -1.65 6.38 -0.46 0.27 1.04 -1.26 -4.55 113.70 113.47 1mfn s SER 4 Ca 0.17 0.47 -0.29 0.00 0.48 0.00 0.00 55.95 56.78 1mfn s SER 4 Cb -0.11 -2.04 0.03 0.00 0.10 0.00 0.00 66.02 64.00 1mfn s SER 4 CO 0.08 -0.13 1.19 -2.16 0.98 0.00 0.00 173.24 173.20 1mfn s PRO 5 N -3.60 3.72 0.00 4.02 0.04 -1.26 -4.40 135.00 133.52 1mfn s PRO 5 Ca 0.40 0.67 0.00 0.00 0.04 0.00 0.00 61.00 62.11 1mfn s PRO 5 Cb -0.11 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.52 1mfn s PRO 5 CO 0.31 -1.39 0.00 0.25 0.04 0.00 0.00 177.00 176.21 1mfn n THR 6 N 6.83 0.00 -2.08 1.26 -2.24 -1.15 -4.64 114.28 112.26 1mfn n THR 6 Ca 0.13 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.86 1mfn n THR 6 Cb 0.49 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.71 1mfn n THR 6 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mfn n GLY 7 N 5.00 -0.23 3.55 3.38 0.00 -1.26 -0.35 105.19 115.27 1mfn n GLY 7 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.37 1.21 -3.83 1.61 -0.00 -1.26 -3.30 117.46 109.52 1mfn n PHE 8 Ca -0.05 0.06 -0.30 0.00 -0.00 0.00 0.00 57.45 57.16 1mfn n PHE 8 Cb 0.42 -2.53 -0.14 0.00 -0.00 0.00 0.00 39.48 37.23 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 10.98 4.14 0.06 -2.13 2.15 -0.30 -4.94 116.67 126.63 1mfn s ASP 9 Ca 0.99 -2.23 -0.25 0.00 0.43 0.00 0.00 52.55 51.49 1mfn s ASP 9 Cb -0.23 -1.20 -0.06 0.00 -0.30 0.00 0.00 42.92 41.13 1mfn s ASP 9 CO 0.20 -0.34 0.77 -0.44 -0.17 0.00 0.00 175.17 175.19 1mfn s SER 10 N 0.83 7.24 0.00 -0.34 0.01 -1.26 -1.32 113.70 118.85 1mfn s SER 10 Ca 0.13 1.47 0.00 0.00 1.31 0.00 0.00 55.95 58.87 1mfn s SER 10 Cb -0.21 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1mfn s SER 10 CO -0.10 0.04 0.00 -1.54 0.41 0.00 0.00 173.24 172.05 1mfn n SER 11 N 2.64 0.00 -4.25 2.44 3.41 -0.66 -4.88 113.62 112.33 1mfn n SER 11 Ca -0.03 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.22 1mfn n SER 11 Cb 0.50 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.42 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 -2.97 -4.71 4.04 9.92 -1.26 -1.19 116.55 120.38 1mfn n ASP 12 Ca 0.00 -1.04 -0.41 0.00 -0.53 0.00 0.00 54.79 52.81 1mfn n ASP 12 Cb 0.00 -2.63 -0.04 0.00 -0.64 0.00 0.00 41.12 37.81 1mfn n ASP 12 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1mfn s ILE 13 N -3.33 4.95 0.47 0.53 1.01 -1.26 -0.92 121.20 122.64 1mfn s ILE 13 Ca 0.71 1.74 0.05 0.00 0.00 0.00 0.00 60.65 63.15 1mfn s ILE 13 Cb -0.39 -4.17 -0.03 0.00 0.01 0.00 0.00 42.46 37.88 1mfn s ILE 13 CO 0.94 0.19 0.14 0.42 0.00 0.00 0.00 174.94 176.63 1mfn s THR 14 N 1.04 1.79 -0.00 2.92 -4.23 1.07 -4.79 115.64 113.43 1mfn s THR 14 Ca 0.44 -1.80 -0.12 0.00 -1.18 0.00 0.00 61.69 59.04 1mfn s THR 14 Cb -0.19 -2.59 -0.06 0.00 1.34 0.00 0.00 72.50 71.00 1mfn s THR 14 CO 0.22 0.00 0.79 0.00 -0.54 0.00 0.00 174.62 175.09 1mfn h ALA 15 N 1.33 -0.73 -0.21 3.99 0.00 -1.91 -2.81 119.26 118.93 1mfn h ALA 15 Ca -0.42 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1mfn h ALA 15 Cb 1.28 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1mfn h ALA 15 CO 0.71 -0.70 0.00 0.09 0.00 0.00 0.00 179.25 179.35 1mfn n ASN 16 N -3.64 2.24 -3.54 0.00 3.02 -1.26 -3.70 115.26 108.38 1mfn n ASN 16 Ca -0.05 -2.22 -0.09 0.00 -0.03 0.00 0.00 54.58 52.19 1mfn n ASN 16 Cb 0.16 -0.45 -0.03 0.00 -0.61 0.00 0.00 39.78 38.85 1mfn n ASN 16 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1mfn s SER 17 N -0.47 -0.35 -0.23 6.41 0.01 -1.21 -1.35 113.70 116.51 1mfn s SER 17 Ca 0.18 0.15 -0.27 0.00 1.31 0.00 0.00 55.95 57.32 1mfn s SER 17 Cb 0.12 0.33 0.11 0.00 0.21 0.00 0.00 66.02 66.80 1mfn s SER 17 CO 0.07 -0.48 0.93 0.72 0.41 0.00 0.00 173.24 174.89 1mfn s PHE 18 N -2.32 -0.53 0.37 2.43 -0.12 -0.84 0.35 117.98 117.31 1mfn s PHE 18 Ca 0.03 1.19 -0.06 0.00 -0.05 0.00 0.00 56.93 58.04 1mfn s PHE 18 Cb -0.01 0.37 -0.05 0.00 -0.63 0.00 0.00 43.02 42.70 1mfn s PHE 18 CO -0.05 -0.32 0.67 0.99 -0.05 0.00 0.00 175.22 176.46 1mfn s THR 19 N -0.16 4.93 -0.03 -4.49 2.01 -0.10 -1.82 115.64 115.98 1mfn s THR 19 Ca 0.00 0.22 0.02 0.00 0.31 0.00 0.00 61.69 62.24 1mfn s THR 19 Cb -0.04 -3.77 0.01 0.00 0.01 0.00 0.00 72.50 68.71 1mfn s THR 19 CO -0.02 -0.51 -0.08 -0.69 -0.69 0.00 0.00 174.62 172.64 1mfn s VAL 20 N -2.32 0.74 0.35 3.82 1.01 -0.85 -1.65 120.40 121.50 1mfn s VAL 20 Ca 0.47 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 62.21 1mfn s VAL 20 Cb -0.10 -0.68 -0.07 0.00 0.00 0.00 0.00 36.38 35.53 1mfn s VAL 20 CO 0.34 0.24 -0.06 -1.00 0.00 0.00 0.00 175.10 174.62 1mfn s HIS 21 N 0.36 2.34 -0.29 5.22 3.76 -0.43 -1.30 115.29 124.94 1mfn s HIS 21 Ca -0.06 -0.59 -0.23 0.00 -0.15 0.00 0.00 55.06 54.03 1mfn s HIS 21 Cb -0.10 -1.43 0.17 0.00 1.11 0.00 0.00 32.58 32.33 1mfn s HIS 21 CO 0.01 0.48 1.24 1.67 -0.85 0.00 0.00 174.74 177.28 1mfn s TRP 22 N -2.73 -0.25 0.69 1.40 -2.14 -0.45 -1.15 118.94 114.30 1mfn s TRP 22 Ca 0.33 0.58 -0.11 0.00 2.66 0.00 0.00 56.10 59.56 1mfn s TRP 22 Cb 0.05 0.38 0.00 0.00 -3.10 0.00 0.00 33.47 30.80 1mfn s TRP 22 CO 0.16 -0.12 1.07 0.08 -2.66 0.00 0.00 176.95 175.48 1mfn s VAL 23 N 0.35 3.92 0.65 -0.66 1.01 0.52 -4.68 120.40 121.52 1mfn s VAL 23 Ca 0.02 0.62 -0.05 0.00 0.00 0.00 0.00 61.98 62.58 1mfn s VAL 23 Cb -0.05 -3.56 0.04 0.00 0.00 0.00 0.00 36.38 32.82 1mfn s VAL 23 CO -0.12 -0.82 0.95 0.00 0.00 0.00 0.00 175.10 175.11 1mfn s ALA 24 N -3.23 3.31 1.00 5.51 0.00 -1.26 -2.92 121.76 124.17 1mfn s ALA 24 Ca 0.57 -0.93 -0.04 0.00 0.00 0.00 0.00 51.96 51.56 1mfn s ALA 24 Cb -0.12 -2.52 0.06 0.00 0.00 0.00 0.00 23.12 20.54 1mfn s ALA 24 CO 0.53 -1.09 0.34 -0.35 0.00 0.00 0.00 175.76 175.19 1mfn n PRO 25 N -2.75 -0.41 -0.24 0.00 -0.04 -1.26 -4.52 135.00 125.78 1mfn n PRO 25 Ca 0.07 -0.53 0.07 0.00 -0.04 0.00 0.00 63.50 63.07 1mfn n PRO 25 Cb 0.60 -0.36 0.18 0.00 -0.04 0.00 0.00 33.50 33.87 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 -1.77 2.61 -4.64 0.54 1.74 -1.26 -4.99 116.66 108.88 1mfn n ARG 26 Ca 0.04 -2.41 -0.29 0.00 -0.77 0.00 0.00 57.85 54.42 1mfn n ARG 26 Cb 0.15 -1.52 -0.08 0.00 -1.02 0.00 0.00 32.46 29.99 1mfn n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mfn s ALA 27 N -2.13 3.54 0.16 7.54 0.00 -1.26 -4.99 121.76 124.62 1mfn s ALA 27 Ca 0.30 -0.83 -0.30 0.00 0.00 0.00 0.00 51.96 51.12 1mfn s ALA 27 Cb 0.23 0.36 -0.07 0.00 0.00 0.00 0.00 23.12 23.64 1mfn s ALA 27 CO 0.08 -0.17 1.03 -1.25 0.00 0.00 0.00 175.76 175.45 1mfn s PRO 28 N -3.80 4.67 0.34 0.00 0.04 -1.26 -5.01 135.00 129.99 1mfn s PRO 28 Ca 0.15 1.58 -0.05 0.00 0.04 0.00 0.00 61.00 62.72 1mfn s PRO 28 Cb 0.02 -3.32 0.02 0.00 0.04 0.00 0.00 34.50 31.27 1mfn s PRO 28 CO 0.09 0.18 0.55 0.44 0.04 0.00 0.00 177.00 178.30 1mfn n ILE 29 N 2.43 0.00 -0.01 0.56 -5.35 -1.26 -4.84 119.36 110.89 1mfn n ILE 29 Ca 0.02 -1.46 0.03 0.00 -0.27 0.00 0.00 62.75 61.07 1mfn n ILE 29 Cb 0.47 1.00 -0.05 0.00 -1.74 0.00 0.00 39.64 39.33 1mfn n ILE 29 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1mfn n THR 30 N -0.53 0.04 0.00 7.28 -2.24 -1.23 -4.99 114.28 112.61 1mfn n THR 30 Ca -0.02 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1mfn n THR 30 Cb 0.56 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 1mfn n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mfn n GLY 31 N 2.19 1.35 3.60 3.38 0.00 -1.26 -4.04 105.19 110.41 1mfn n GLY 31 Ca -0.02 -1.13 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 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 2.78 -0.06 1.61 2.02 -0.81 -3.30 117.35 117.59 1mfn s TYR 32 Ca 0.00 -0.14 -0.13 0.00 -0.37 0.00 0.00 57.07 56.43 1mfn s TYR 32 Cb 0.00 -1.44 -0.05 0.00 -0.40 0.00 0.00 41.96 40.07 1mfn s TYR 32 CO 0.00 0.44 0.34 0.42 -1.57 0.00 0.00 175.55 175.18 1mfn s ILE 33 N -1.26 5.19 -0.47 2.71 1.09 0.22 -1.35 121.20 127.33 1mfn s ILE 33 Ca 0.22 0.67 0.01 0.00 -1.10 0.00 0.00 60.65 60.45 1mfn s ILE 33 Cb -0.11 -3.64 0.12 0.00 -1.06 0.00 0.00 42.46 37.77 1mfn s ILE 33 CO 0.15 0.53 0.23 -0.63 -0.10 0.00 0.00 174.94 175.11 1mfn s ILE 34 N -0.63 2.89 -0.28 2.92 -1.09 0.42 -1.55 121.20 123.88 1mfn s ILE 34 Ca 0.21 -2.70 -0.08 0.00 -2.23 0.00 0.00 60.65 55.84 1mfn s ILE 34 Cb -0.15 -3.00 -0.01 0.00 -1.58 0.00 0.00 42.46 37.72 1mfn s ILE 34 CO 0.09 -0.74 0.10 -0.60 -1.23 0.00 0.00 174.94 172.56 1mfn s ARG 35 N 0.39 3.38 0.04 2.79 3.52 -0.01 0.20 118.95 129.26 1mfn s ARG 35 Ca 0.13 -0.67 0.02 0.00 -0.13 0.00 0.00 55.73 55.08 1mfn s ARG 35 Cb -0.22 -3.41 -0.04 0.00 -1.56 0.00 0.00 34.95 29.72 1mfn s ARG 35 CO -0.04 -0.34 0.04 -3.38 -0.81 0.00 0.00 175.30 170.77 1mfn s HIS 36 N 1.58 3.13 -0.29 5.12 -3.43 -0.87 0.20 115.29 120.73 1mfn s HIS 36 Ca 0.05 0.08 -0.13 0.00 -0.80 0.00 0.00 55.06 54.26 1mfn s HIS 36 Cb -0.16 -1.64 0.12 0.00 -1.43 0.00 0.00 32.58 29.46 1mfn s HIS 36 CO 0.04 0.50 0.73 -3.38 -2.00 0.00 0.00 174.74 170.63 1mfn s HIS 37 N -1.23 -1.10 0.00 0.38 -0.00 0.49 -2.78 115.29 111.05 1mfn s HIS 37 Ca 0.24 2.02 0.00 0.00 -0.00 0.00 0.00 55.06 57.32 1mfn s HIS 37 Cb -0.12 0.66 0.00 0.00 -0.00 0.00 0.00 32.58 33.12 1mfn s HIS 37 CO 0.16 -0.55 0.00 0.00 -0.00 0.00 0.00 174.74 174.35 1mfn n ALA 38 N 4.83 0.00 -1.18 -1.38 0.00 -1.26 0.13 120.51 121.65 1mfn n ALA 38 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1mfn n ALA 38 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.23 0.00 0.00 0.00 -0.58 -1.15 -4.30 120.64 114.37 1mfn n GLU 39 Ca 0.00 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.82 1mfn n GLU 39 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 1mfn n GLU 39 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 1mfn n HIS 40 N 0.00 0.00 -2.70 -0.32 1.44 -1.26 -4.90 115.22 107.48 1mfn n HIS 40 Ca 0.00 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.28 1mfn n HIS 40 Cb 0.00 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.08 1mfn n HIS 40 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1mfn s SER 41 N -2.14 6.85 -0.88 4.39 1.04 -1.26 -4.95 113.70 116.75 1mfn s SER 41 Ca 0.11 0.92 -0.25 0.00 0.48 0.00 0.00 55.95 57.21 1mfn s SER 41 Cb 0.13 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1mfn s SER 41 CO 0.50 -0.85 1.66 0.54 0.98 0.00 0.00 173.24 176.07 1mfn s VAL 42 N 3.56 3.64 0.00 5.02 0.11 -1.26 -4.62 120.40 126.85 1mfn s VAL 42 Ca 0.43 -0.32 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 1mfn s VAL 42 Cb -0.12 -4.51 0.00 0.00 -1.53 0.00 0.00 36.38 30.22 1mfn s VAL 42 CO 0.16 -1.43 0.00 0.61 -3.33 0.00 0.00 175.10 171.11 1mfn n GLY 43 N 6.50 0.38 2.71 6.54 0.00 -1.26 -4.97 105.19 115.09 1mfn n GLY 43 Ca 0.30 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.06 1mfn n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mfn n ARG 44 N 0.00 3.06 -2.33 1.61 1.74 -1.26 -4.99 116.66 114.49 1mfn n ARG 44 Ca 0.00 -4.56 -0.36 0.00 -0.77 0.00 0.00 57.85 52.16 1mfn n ARG 44 Cb 0.00 -2.16 -0.03 0.00 -1.02 0.00 0.00 32.46 29.25 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 -3.41 3.23 0.41 5.56 0.04 -1.26 -4.86 135.00 134.71 1mfn s PRO 45 Ca 0.47 -1.45 0.08 0.00 0.04 0.00 0.00 61.00 60.14 1mfn s PRO 45 Cb 0.34 -5.37 -0.02 0.00 0.04 0.00 0.00 34.50 29.49 1mfn s PRO 45 CO -0.15 -3.05 0.40 -0.98 0.04 0.00 0.00 177.00 173.27 1mfn s ARG 46 N 5.42 2.59 -0.32 4.56 1.70 -1.12 -4.87 118.95 126.92 1mfn s ARG 46 Ca 0.60 -1.48 -0.09 0.00 -0.47 0.00 0.00 55.73 54.30 1mfn s ARG 46 Cb 0.01 -2.44 0.01 0.00 -0.57 0.00 0.00 34.95 31.95 1mfn s ARG 46 CO 0.08 -0.19 0.14 1.14 -1.08 0.00 0.00 175.30 175.38 1mfn s GLN 47 N -4.16 3.14 0.40 3.89 0.00 -1.26 -2.05 119.66 119.62 1mfn s GLN 47 Ca 0.49 -0.85 0.08 0.00 -0.00 0.00 0.00 55.36 55.08 1mfn s GLN 47 Cb -0.04 -3.53 -0.03 0.00 0.00 0.00 0.00 33.01 29.42 1mfn s GLN 47 CO 0.29 -0.49 0.34 -0.51 0.00 0.00 0.00 175.29 174.92 1mfn s ASP 48 N 1.56 5.04 0.15 12.60 1.11 0.52 -4.90 116.67 132.74 1mfn s ASP 48 Ca 0.03 -0.72 0.01 0.00 0.18 0.00 0.00 52.55 52.05 1mfn s ASP 48 Cb -0.18 -0.65 -0.04 0.00 1.07 0.00 0.00 42.92 43.12 1mfn s ASP 48 CO 0.05 -0.57 0.01 -0.13 1.18 0.00 0.00 175.17 175.71 1mfn s ARG 49 N -4.08 1.02 0.09 8.23 3.00 -1.26 0.16 118.95 126.12 1mfn s ARG 49 Ca 0.46 -1.48 -0.12 0.00 0.00 0.00 0.00 55.73 54.59 1mfn s ARG 49 Cb -0.03 -0.12 0.01 0.00 0.00 0.00 0.00 34.95 34.81 1mfn s ARG 49 CO 0.27 -0.15 0.28 0.14 0.00 0.00 0.00 175.30 175.83 1mfn s VAL 50 N -3.76 0.11 0.99 3.52 -7.23 -0.46 -4.74 120.40 108.83 1mfn s VAL 50 Ca 0.22 -0.89 -0.15 0.00 -1.81 0.00 0.00 61.98 59.35 1mfn s VAL 50 Cb 0.06 -1.20 0.19 0.00 0.56 0.00 0.00 36.38 35.99 1mfn s VAL 50 CO 0.02 -0.49 1.19 -2.16 -0.31 0.00 0.00 175.10 173.35 1mfn s PRO 51 N -3.55 0.51 0.40 4.82 0.04 -1.26 -1.93 135.00 134.03 1mfn s PRO 51 Ca 0.02 -0.02 0.22 0.00 0.04 0.00 0.00 61.00 61.26 1mfn s PRO 51 Cb 0.03 -1.79 0.52 0.00 0.04 0.00 0.00 34.50 33.30 1mfn s PRO 51 CO -0.10 -2.57 1.66 -1.00 0.04 0.00 0.00 177.00 175.04 1mfn h PRO 52 N -1.76 0.00 -0.00 0.56 0.13 -1.90 -3.04 132.00 125.99 1mfn h PRO 52 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1mfn h PRO 52 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1mfn h PRO 52 CO 0.49 0.22 -0.39 0.45 -0.23 0.00 0.00 178.00 178.53 1mfn n SER 53 N -3.22 0.56 -4.52 1.44 2.88 -1.26 -4.74 113.62 104.76 1mfn n SER 53 Ca 0.02 -0.33 -0.42 0.00 -1.33 0.00 0.00 58.87 56.81 1mfn n SER 53 Cb 0.54 0.15 -0.08 0.00 -0.75 0.00 0.00 64.21 64.07 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 -2.88 3.35 0.00 -1.46 3.00 -1.15 -4.88 118.95 114.94 1mfn s ARG 54 Ca 0.15 -0.45 0.15 0.00 0.00 0.00 0.00 55.73 55.57 1mfn s ARG 54 Cb 0.18 -3.90 0.06 0.00 0.00 0.00 0.00 34.95 31.29 1mfn s ARG 54 CO 0.64 -0.78 0.88 0.27 0.00 0.00 0.00 175.30 176.31 1mfn n ASN 55 N 5.76 1.89 -3.85 0.23 6.94 -1.26 -4.72 115.26 120.25 1mfn n ASN 55 Ca -0.05 -1.44 -0.18 0.00 -0.02 0.00 0.00 54.58 52.88 1mfn n ASN 55 Cb 0.48 0.23 -0.16 0.00 -2.36 0.00 0.00 39.78 37.97 1mfn n ASN 55 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1mfn s SER 56 N -1.49 0.66 -0.11 0.53 1.04 -1.26 -1.34 113.70 111.73 1mfn s SER 56 Ca 0.15 -0.07 -0.00 0.00 0.48 0.00 0.00 55.95 56.50 1mfn s SER 56 Cb 0.12 -0.33 0.02 0.00 0.10 0.00 0.00 66.02 65.94 1mfn s SER 56 CO 0.27 -0.08 -0.08 -0.51 0.98 0.00 0.00 173.24 173.83 1mfn s ILE 57 N 0.96 1.04 -0.06 -1.02 2.07 -0.42 -4.94 121.20 118.83 1mfn s ILE 57 Ca -0.11 -0.30 -0.22 0.00 -1.41 0.00 0.00 60.65 58.62 1mfn s ILE 57 Cb -0.14 -1.05 -0.04 0.00 0.13 0.00 0.00 42.46 41.36 1mfn s ILE 57 CO -0.01 0.37 0.63 -0.89 -1.91 0.00 0.00 174.94 173.13 1mfn s THR 58 N 1.68 5.03 -0.05 4.00 2.01 -1.26 -2.01 115.64 125.03 1mfn s THR 58 Ca 0.04 1.31 -0.02 0.00 0.31 0.00 0.00 61.69 63.33 1mfn s THR 58 Cb -0.13 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 1mfn s THR 58 CO -0.08 0.31 0.06 -0.76 -0.69 0.00 0.00 174.62 173.47 1mfn s LEU 59 N 0.48 3.87 0.41 4.42 1.43 -0.76 -4.96 118.68 123.57 1mfn s LEU 59 Ca 0.34 0.20 0.04 0.00 -1.03 0.00 0.00 54.13 53.67 1mfn s LEU 59 Cb -0.17 -2.08 -0.02 0.00 0.03 0.00 0.00 46.19 43.94 1mfn s LEU 59 CO 0.17 0.33 0.13 0.42 0.23 0.00 0.00 176.35 177.63 1mfn s THR 60 N -1.06 0.59 -1.48 5.49 -4.23 -1.26 -1.99 115.64 111.71 1mfn s THR 60 Ca 0.18 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.57 1mfn s THR 60 Cb -0.12 -2.34 0.06 0.00 1.34 0.00 0.00 72.50 71.44 1mfn s THR 60 CO 0.08 0.00 1.01 0.59 -0.54 0.00 0.00 174.62 175.76 1mfn n ASN 61 N -1.32 -4.84 -4.57 3.99 5.03 -1.03 -4.91 115.26 107.61 1mfn n ASN 61 Ca -0.06 -0.73 -0.32 0.00 0.87 0.00 0.00 54.58 54.34 1mfn n ASN 61 Cb 0.65 -4.15 -0.11 0.00 -1.02 0.00 0.00 39.78 35.15 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 -7.24 3.07 0.16 3.41 1.43 -0.46 -4.95 118.68 114.11 1mfn s LEU 62 Ca 0.59 -0.22 -0.34 0.00 -1.03 0.00 0.00 54.13 53.14 1mfn s LEU 62 Cb -0.29 -1.78 -0.14 0.00 0.03 0.00 0.00 46.19 44.01 1mfn s LEU 62 CO 0.81 0.26 1.53 0.59 0.23 0.00 0.00 176.35 179.78 1mfn n ASN 63 N 1.44 2.92 -4.69 2.29 4.13 -1.26 -4.16 115.26 115.93 1mfn n ASN 63 Ca -0.15 1.09 -0.42 0.00 1.68 0.00 0.00 54.58 56.78 1mfn n ASN 63 Cb 0.52 -1.41 -0.03 0.00 -1.54 0.00 0.00 39.78 37.33 1mfn n ASN 63 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1mfn s PRO 64 N 0.70 4.38 0.00 3.52 0.04 -1.24 -3.96 135.00 138.44 1mfn s PRO 64 Ca 0.78 1.55 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1mfn s PRO 64 Cb -0.70 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.29 1mfn s PRO 64 CO 0.40 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.46 1mfn n GLY 65 N 3.25 0.71 3.31 0.56 0.00 0.85 -4.63 105.19 109.25 1mfn n GLY 65 Ca 0.10 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.98 0.06 -0.31 2.61 2.01 -0.96 -4.88 115.64 111.20 1mfn s THR 66 Ca 0.00 -0.51 -0.24 0.00 0.31 0.00 0.00 61.69 61.24 1mfn s THR 66 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 1mfn s THR 66 CO 0.00 -0.28 0.84 -1.61 -0.69 0.00 0.00 174.62 172.88 1mfn s GLU 67 N -2.76 3.97 -0.35 4.92 8.01 -1.26 0.22 118.70 131.46 1mfn s GLU 67 Ca -0.03 0.67 -0.03 0.00 0.01 0.00 0.00 54.97 55.58 1mfn s GLU 67 Cb -0.00 -3.73 0.07 0.00 -4.31 0.00 0.00 34.13 26.15 1mfn s GLU 67 CO -0.04 -0.72 0.09 0.71 0.01 0.00 0.00 175.26 175.31 1mfn s TYR 68 N 3.08 3.36 0.13 1.61 2.02 -0.86 -2.96 117.35 123.74 1mfn s TYR 68 Ca 0.35 -1.91 -0.30 0.00 -0.37 0.00 0.00 57.07 54.83 1mfn s TYR 68 Cb -0.14 -2.51 -0.07 0.00 -0.40 0.00 0.00 41.96 38.85 1mfn s TYR 68 CO 0.13 -0.84 1.18 0.08 -1.57 0.00 0.00 175.55 174.53 1mfn s VAL 69 N 1.26 3.83 -0.18 0.71 1.01 0.12 -2.53 120.40 124.62 1mfn s VAL 69 Ca -0.00 1.44 0.01 0.00 0.00 0.00 0.00 61.98 63.43 1mfn s VAL 69 Cb -0.21 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.28 1mfn s VAL 69 CO -0.01 0.18 -0.15 -0.69 0.00 0.00 0.00 175.10 174.43 1mfn s VAL 70 N 0.39 1.83 -0.08 2.92 1.01 -0.97 0.19 120.40 125.67 1mfn s VAL 70 Ca 0.55 -0.94 -0.17 0.00 0.00 0.00 0.00 61.98 61.43 1mfn s VAL 70 Cb -0.31 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 1mfn s VAL 70 CO 0.33 0.37 0.43 -0.94 0.00 0.00 0.00 175.10 175.29 1mfn s SER 71 N 1.35 6.70 -0.69 3.32 1.04 0.53 -1.23 113.70 124.73 1mfn s SER 71 Ca 0.02 0.83 0.05 0.00 0.48 0.00 0.00 55.95 57.33 1mfn s SER 71 Cb -0.14 -2.26 0.17 0.00 0.10 0.00 0.00 66.02 63.89 1mfn s SER 71 CO -0.10 0.12 0.51 -0.38 0.98 0.00 0.00 173.24 174.37 1mfn n ILE 72 N 3.03 1.60 -1.67 -1.02 2.08 0.15 -0.83 119.36 122.70 1mfn n ILE 72 Ca -0.10 -4.85 -0.30 0.00 0.56 0.00 0.00 62.75 58.06 1mfn n ILE 72 Cb 0.52 -2.17 0.07 0.00 -0.75 0.00 0.00 39.64 37.31 1mfn n ILE 72 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1mfn s ILE 73 N -1.49 3.39 -0.13 1.39 -1.09 -0.60 -3.51 121.20 119.16 1mfn s ILE 73 Ca 0.26 0.45 -0.01 0.00 -2.23 0.00 0.00 60.65 59.12 1mfn s ILE 73 Cb -0.03 -3.28 0.04 0.00 -1.58 0.00 0.00 42.46 37.61 1mfn s ILE 73 CO -0.16 -0.59 -0.03 0.00 -1.23 0.00 0.00 174.94 172.93 1mfn s ALA 74 N -3.21 1.16 0.48 9.38 0.00 -1.26 -0.61 121.76 127.70 1mfn s ALA 74 Ca 0.59 -0.54 0.07 0.00 0.00 0.00 0.00 51.96 52.09 1mfn s ALA 74 Cb -0.13 -0.97 0.01 0.00 0.00 0.00 0.00 23.12 22.03 1mfn s ALA 74 CO 0.54 -0.64 0.42 0.14 0.00 0.00 0.00 175.76 176.21 1mfn s VAL 75 N 1.78 2.22 -0.37 0.00 -7.23 -1.21 -0.12 120.40 115.47 1mfn s VAL 75 Ca 0.03 -1.38 0.12 0.00 -1.81 0.00 0.00 61.98 58.94 1mfn s VAL 75 Cb -0.14 -2.60 0.42 0.00 0.56 0.00 0.00 36.38 34.61 1mfn s VAL 75 CO -0.07 0.00 1.23 -3.20 -0.31 0.00 0.00 175.10 172.75 1mfn n ASN 76 N -1.68 -0.77 0.00 4.85 5.15 -1.25 -3.50 115.26 118.05 1mfn n ASN 76 Ca 0.03 -2.52 0.00 0.00 -0.60 0.00 0.00 54.58 51.49 1mfn n ASN 76 Cb 0.63 0.49 0.00 0.00 -0.53 0.00 0.00 39.78 40.37 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 -0.47 2.24 0.01 8.20 0.00 -1.26 -3.53 105.19 110.38 1mfn n GLY 77 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.58 -1.23 1.61 -4.01 -1.26 -5.04 116.66 107.31 1mfn n ARG 78 Ca 0.00 -0.42 -0.08 0.00 -1.04 0.00 0.00 57.85 56.31 1mfn n ARG 78 Cb 0.00 -0.91 0.05 0.00 -3.04 0.00 0.00 32.46 28.56 1mfn n ARG 78 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 1mfn n GLU 79 N -0.18 0.26 -3.24 2.89 4.71 -1.23 -5.10 120.64 118.75 1mfn n GLU 79 Ca 0.00 -0.94 -0.03 0.00 -0.01 0.00 0.00 57.16 56.18 1mfn n GLU 79 Cb 0.01 -0.27 -0.03 0.00 -1.01 0.00 0.00 31.44 30.14 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 -3.43 0.68 1.44 3.49 2.02 -1.26 -3.93 118.70 117.70 1mfn s GLU 80 Ca 0.24 -0.15 -0.23 0.00 0.02 0.00 0.00 54.97 54.85 1mfn s GLU 80 Cb -0.01 -0.08 0.37 0.00 0.10 0.00 0.00 34.13 34.51 1mfn s GLU 80 CO 0.16 -1.14 0.87 -1.13 0.02 0.00 0.00 175.26 174.04 1mfn n SER 81 N 4.73 -3.94 -4.83 -0.19 3.41 0.83 -4.88 113.62 108.74 1mfn n SER 81 Ca 0.08 -0.79 -0.31 0.00 -0.26 0.00 0.00 58.87 57.59 1mfn n SER 81 Cb 0.53 -1.02 0.02 0.00 -0.26 0.00 0.00 64.21 63.48 1mfn n SER 81 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1mfn s PRO 82 N -4.95 3.32 0.37 4.33 0.04 -1.26 -4.65 135.00 132.20 1mfn s PRO 82 Ca 0.66 0.95 -0.25 0.00 0.04 0.00 0.00 61.00 62.41 1mfn s PRO 82 Cb -0.13 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.27 1mfn s PRO 82 CO 0.57 -0.79 1.01 -1.25 0.04 0.00 0.00 177.00 176.57 1mfn s PRO 83 N -4.75 4.35 -0.42 0.56 0.04 -1.26 -4.10 135.00 129.43 1mfn s PRO 83 Ca 0.58 1.44 0.02 0.00 0.04 0.00 0.00 61.00 63.09 1mfn s PRO 83 Cb -0.13 -2.66 0.15 0.00 0.04 0.00 0.00 34.50 31.90 1mfn s PRO 83 CO 0.48 0.04 0.28 -1.17 0.04 0.00 0.00 177.00 176.67 1mfn s LEU 84 N -2.38 1.78 -0.12 -3.56 2.96 -1.23 -5.00 118.68 111.13 1mfn s LEU 84 Ca 0.54 -2.70 -0.07 0.00 -0.22 0.00 0.00 54.13 51.69 1mfn s LEU 84 Cb -0.21 -0.64 -0.04 0.00 0.50 0.00 0.00 46.19 45.80 1mfn s LEU 84 CO 0.26 -0.24 0.14 -0.63 -1.32 0.00 0.00 176.35 174.57 1mfn s ILE 85 N 0.39 5.50 0.05 6.68 1.01 -1.26 0.32 121.20 133.90 1mfn s ILE 85 Ca 0.23 0.22 0.00 0.00 0.00 0.00 0.00 60.65 61.10 1mfn s ILE 85 Cb -0.13 -3.40 -0.00 0.00 0.01 0.00 0.00 42.46 38.93 1mfn s ILE 85 CO -0.07 0.62 0.01 0.61 0.00 0.00 0.00 174.94 176.11 1mfn n GLY 86 N 2.00 4.03 3.12 6.18 0.00 -0.36 -4.97 105.19 115.19 1mfn n GLY 86 Ca -0.20 -2.01 -0.12 0.00 0.00 0.00 0.00 46.02 43.69 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 -2.19 0.24 -0.13 1.61 -0.21 -1.26 -2.30 119.66 115.41 1mfn s GLN 87 Ca 0.02 0.74 -0.02 0.00 0.02 0.00 0.00 55.36 56.11 1mfn s GLN 87 Cb 0.00 0.00 0.05 0.00 1.00 0.00 0.00 33.01 34.06 1mfn s GLN 87 CO 0.01 -0.22 0.03 -1.14 -2.12 0.00 0.00 175.29 171.85 1mfn s GLN 88 N 1.90 0.54 0.13 2.91 -0.44 -1.05 -4.98 119.66 118.67 1mfn s GLN 88 Ca -0.05 -0.13 -0.30 0.00 -2.50 0.00 0.00 55.36 52.38 1mfn s GLN 88 Cb -0.11 -1.54 -0.07 0.00 -1.64 0.00 0.00 33.01 29.65 1mfn s GLN 88 CO -0.10 -0.49 1.14 0.00 0.50 0.00 0.00 175.29 176.34 1mfn s ALA 89 N 1.95 3.38 0.24 1.58 0.00 -1.26 -2.02 121.76 125.62 1mfn s ALA 89 Ca 0.02 0.83 -0.30 0.00 0.00 0.00 0.00 51.96 52.52 1mfn s ALA 89 Cb -0.15 -3.39 -0.09 0.00 0.00 0.00 0.00 23.12 19.49 1mfn s ALA 89 CO -0.07 -0.31 1.12 0.95 0.00 0.00 0.00 175.76 177.46 1mfn s THR 90 N 0.27 3.57 0.77 0.00 -4.23 0.61 -4.82 115.64 111.81 1mfn s THR 90 Ca 0.53 1.47 -0.16 0.00 -1.18 0.00 0.00 61.69 62.36 1mfn s THR 90 Cb -0.29 -3.94 -0.04 0.00 1.34 0.00 0.00 72.50 69.57 1mfn s THR 90 CO 0.33 0.31 0.41 0.52 -0.54 0.00 0.00 174.62 175.65 1mfn n VAL 91 N 1.70 1.27 -4.31 2.29 0.31 -1.06 -1.85 118.33 116.68 1mfn n VAL 91 Ca 0.01 -0.37 -0.24 0.00 -0.01 0.00 0.00 64.34 63.73 1mfn n VAL 91 Cb 0.45 -0.65 -0.08 0.00 -0.91 0.00 0.00 33.84 32.65 1mfn n VAL 91 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1mfn s SER 92 N -1.53 4.31 -0.11 4.52 0.01 -1.26 0.29 113.70 119.94 1mfn s SER 92 Ca 0.62 -0.83 -0.03 0.00 1.31 0.00 0.00 55.95 57.02 1mfn s SER 92 Cb -0.32 -0.65 -0.06 0.00 0.21 0.00 0.00 66.02 65.20 1mfn s SER 92 CO 0.61 -0.12 -0.12 -0.90 0.41 0.00 0.00 173.24 173.13 1mfn n ASP 93 N -0.91 1.90 -4.90 2.44 5.68 -1.26 -2.83 116.55 116.66 1mfn n ASP 93 Ca -0.05 0.05 -0.34 0.00 -0.50 0.00 0.00 54.79 53.95 1mfn n ASP 93 Cb 0.61 -0.25 -0.05 0.00 -1.14 0.00 0.00 41.12 40.28 1mfn n ASP 93 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1mfn s ILE 94 N -2.21 5.43 0.00 2.12 1.01 -1.26 -4.75 121.20 121.55 1mfn s ILE 94 Ca -0.15 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.39 1mfn s ILE 94 Cb 0.05 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.99 1mfn s ILE 94 CO 0.22 0.35 0.00 -0.81 0.00 0.00 0.00 174.94 174.70 1mfn n PRO 95 N 1.03 0.81 -3.76 2.79 -0.04 -1.26 -4.60 135.00 129.97 1mfn n PRO 95 Ca -0.12 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.32 1mfn n PRO 95 Cb 0.53 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.98 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 1.09 -0.05 0.54 1.70 -0.67 -4.85 118.95 116.26 1mfn s ARG 96 Ca 0.00 -0.63 0.00 0.00 -0.47 0.00 0.00 55.73 54.63 1mfn s ARG 96 Cb 0.00 0.35 0.00 0.00 -0.57 0.00 0.00 34.95 34.73 1mfn s ARG 96 CO 0.00 -0.50 0.00 -3.47 -1.08 0.00 0.00 175.30 170.25 1mfn n ASP 97 N -0.64 -3.07 -4.51 -2.89 -0.08 -1.26 0.20 116.55 104.31 1mfn n ASP 97 Ca -0.06 0.01 -0.14 0.00 -1.51 0.00 0.00 54.79 53.09 1mfn n ASP 97 Cb 0.61 -0.61 -0.11 0.00 2.34 0.00 0.00 41.12 43.35 1mfn n ASP 97 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1mfn n LEU 98 N -0.05 0.74 -4.22 -2.67 -0.00 -1.20 -4.18 117.00 105.43 1mfn n LEU 98 Ca -0.00 -1.50 -0.13 0.00 -0.00 0.00 0.00 56.01 54.38 1mfn n LEU 98 Cb 0.02 -1.37 -0.10 0.00 -0.00 0.00 0.00 43.42 41.97 1mfn n LEU 98 CO 0.01 -2.53 -0.25 -1.61 -0.00 0.00 0.00 177.39 173.01 1mfn s GLU 99 N 8.16 1.21 -0.04 1.96 2.02 -1.06 -4.88 118.70 126.08 1mfn s GLU 99 Ca 0.91 -1.64 -0.02 0.00 0.02 0.00 0.00 54.97 54.25 1mfn s GLU 99 Cb -0.25 0.16 -0.04 0.00 0.10 0.00 0.00 34.13 34.10 1mfn s GLU 99 CO 0.20 -0.36 0.11 0.54 0.02 0.00 0.00 175.26 175.77 1mfn s VAL 100 N -4.07 4.99 0.00 2.63 0.11 -1.26 -2.02 120.40 120.78 1mfn s VAL 100 Ca 0.37 -0.22 0.00 0.00 -2.93 0.00 0.00 61.98 59.20 1mfn s VAL 100 Cb 0.07 -3.25 0.00 0.00 -1.53 0.00 0.00 36.38 31.67 1mfn s VAL 100 CO 0.11 0.42 0.19 2.30 -3.33 0.00 0.00 175.10 174.80 1mfn n ILE 101 N 1.38 0.00 -3.28 7.04 -5.35 -0.88 -4.92 119.36 113.35 1mfn n ILE 101 Ca -0.14 -0.35 -0.12 0.00 -0.27 0.00 0.00 62.75 61.87 1mfn n ILE 101 Cb 0.53 1.17 -0.05 0.00 -1.74 0.00 0.00 39.64 39.55 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 -0.31 -0.98 -0.88 -1.28 0.00 -1.26 -4.92 121.76 112.13 1mfn s ALA 102 Ca 0.00 -0.71 -0.22 0.00 0.00 0.00 0.00 51.96 51.03 1mfn s ALA 102 Cb 0.00 -2.27 0.07 0.00 0.00 0.00 0.00 23.12 20.93 1mfn s ALA 102 CO 0.00 -2.17 1.24 -1.54 0.00 0.00 0.00 175.76 173.29 1mfn s SER 103 N 1.42 6.42 0.56 0.00 1.04 -1.26 -1.34 113.70 120.54 1mfn s SER 103 Ca 0.18 -1.36 -0.07 0.00 0.48 0.00 0.00 55.95 55.18 1mfn s SER 103 Cb -0.10 -2.49 -0.02 0.00 0.10 0.00 0.00 66.02 63.50 1mfn s SER 103 CO -0.05 -1.43 0.90 0.42 0.98 0.00 0.00 173.24 174.07 1mfn s THR 104 N 4.31 4.47 -1.70 2.02 -4.23 0.17 -4.93 115.64 115.76 1mfn s THR 104 Ca 0.36 0.37 0.15 0.00 -1.18 0.00 0.00 61.69 61.39 1mfn s THR 104 Cb -0.06 -3.75 0.34 0.00 1.34 0.00 0.00 72.50 70.38 1mfn s THR 104 CO -0.02 -0.84 1.37 -0.81 -0.54 0.00 0.00 174.62 173.78 1mfn n PRO 105 N -2.53 0.34 -0.46 3.99 -0.04 -1.26 -2.74 135.00 132.30 1mfn n PRO 105 Ca 0.03 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1mfn n PRO 105 Cb 0.55 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.15 0.00 -3.84 0.52 -2.24 -1.26 -4.25 114.28 102.05 1mfn n THR 106 Ca 0.09 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.86 1mfn n THR 106 Cb 0.09 0.24 0.01 0.00 -2.10 0.00 0.00 70.33 68.56 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 -0.39 -0.03 0.06 3.42 1.04 -1.11 -2.93 113.70 113.76 1mfn s SER 107 Ca 0.00 -0.45 -0.19 0.00 0.48 0.00 0.00 55.95 55.79 1mfn s SER 107 Cb 0.00 0.37 0.04 0.00 0.10 0.00 0.00 66.02 66.53 1mfn s SER 107 CO 0.00 -0.73 0.44 -0.76 0.98 0.00 0.00 173.24 173.17 1mfn s LEU 108 N -3.35 0.27 -0.24 2.42 1.02 -0.82 0.43 118.68 118.41 1mfn s LEU 108 Ca 0.21 -0.03 -0.09 0.00 0.02 0.00 0.00 54.13 54.24 1mfn s LEU 108 Cb -0.01 1.86 -0.04 0.00 0.02 0.00 0.00 46.19 48.02 1mfn s LEU 108 CO 0.02 -0.72 0.12 -0.76 0.02 0.00 0.00 176.35 175.03 1mfn s LEU 109 N -2.17 3.86 -0.14 1.79 1.43 -0.45 -2.03 118.68 120.97 1mfn s LEU 109 Ca -0.03 -0.00 -0.06 0.00 -1.03 0.00 0.00 54.13 53.00 1mfn s LEU 109 Cb -0.00 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 1mfn s LEU 109 CO -0.04 0.04 0.07 0.27 0.23 0.00 0.00 176.35 176.92 1mfn s ILE 110 N 1.20 4.92 -0.06 -0.59 -4.36 -0.68 -2.07 121.20 119.56 1mfn s ILE 110 Ca 0.06 -0.00 0.01 0.00 -0.26 0.00 0.00 60.65 60.46 1mfn s ILE 110 Cb -0.14 -3.16 0.02 0.00 1.25 0.00 0.00 42.46 40.43 1mfn s ILE 110 CO 0.05 0.54 -0.09 -0.55 0.24 0.00 0.00 174.94 175.13 1mfn s SER 111 N -0.36 1.51 -0.08 4.36 0.15 -0.86 -1.48 113.70 116.95 1mfn s SER 111 Ca 0.09 -0.23 -0.16 0.00 0.70 0.00 0.00 55.95 56.35 1mfn s SER 111 Cb -0.12 -0.68 0.04 0.00 -1.71 0.00 0.00 66.02 63.54 1mfn s SER 111 CO 0.02 -0.02 0.40 -1.66 1.20 0.00 0.00 173.24 173.17 1mfn s TRP 112 N 0.89 -0.36 -0.00 3.44 -2.14 -0.90 -2.56 118.94 117.32 1mfn s TRP 112 Ca -0.11 0.75 -0.29 0.00 2.66 0.00 0.00 56.10 59.11 1mfn s TRP 112 Cb -0.15 0.16 -0.03 0.00 -3.10 0.00 0.00 33.47 30.34 1mfn s TRP 112 CO 0.01 -0.33 0.92 -1.21 -2.66 0.00 0.00 176.95 173.68 1mfn s GLU 113 N -0.60 4.54 0.47 3.25 0.41 0.55 -4.50 118.70 122.82 1mfn s GLU 113 Ca -0.07 1.31 -0.20 0.00 -0.41 0.00 0.00 54.97 55.60 1mfn s GLU 113 Cb -0.04 -3.45 -0.10 0.00 -1.78 0.00 0.00 34.13 28.77 1mfn s GLU 113 CO 0.03 0.00 0.98 -1.25 -0.49 0.00 0.00 175.26 174.53 1mfn s PRO 114 N 0.86 4.06 0.00 0.39 0.04 -1.26 -1.66 135.00 137.42 1mfn s PRO 114 Ca 0.48 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1mfn s PRO 114 Cb -0.21 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.19 1mfn s PRO 114 CO 0.26 -0.18 0.00 -0.35 0.04 0.00 0.00 177.00 176.77 1mfn n PRO 115 N -0.97 -0.06 -0.00 0.56 -0.04 -1.26 -4.92 135.00 128.31 1mfn n PRO 115 Ca 0.07 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.57 1mfn n PRO 115 Cb 0.54 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.95 1mfn n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mfn n ALA 116 N -3.00 2.60 -1.53 0.55 0.00 -1.20 -4.85 120.51 113.07 1mfn n ALA 116 Ca 0.00 -0.18 -0.30 0.00 0.00 0.00 0.00 53.44 52.96 1mfn n ALA 116 Cb 0.00 -0.24 0.10 0.00 0.00 0.00 0.00 19.45 19.31 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 -2.01 2.90 -0.45 0.00 -7.23 -1.13 -4.86 120.40 107.63 1mfn s VAL 117 Ca 0.00 0.29 -0.28 0.00 -1.81 0.00 0.00 61.98 60.19 1mfn s VAL 117 Cb 0.05 -3.03 -0.02 0.00 0.56 0.00 0.00 36.38 33.95 1mfn s VAL 117 CO 0.28 -0.38 1.78 -0.44 -0.31 0.00 0.00 175.10 176.03 1mfn s SER 118 N -3.90 5.70 -0.12 4.85 0.01 -1.26 -4.96 113.70 114.02 1mfn s SER 118 Ca 0.61 0.88 -0.14 0.00 1.31 0.00 0.00 55.95 58.61 1mfn s SER 118 Cb -0.15 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.51 1mfn s SER 118 CO 0.54 -1.94 0.33 -0.69 0.41 0.00 0.00 173.24 171.90 1mfn s VAL 119 N 7.57 5.25 -0.03 3.43 1.01 -1.26 -4.74 120.40 131.63 1mfn s VAL 119 Ca 0.73 0.64 -0.06 0.00 0.00 0.00 0.00 61.98 63.29 1mfn s VAL 119 Cb -0.18 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1mfn s VAL 119 CO 0.29 0.43 0.36 -0.09 0.00 0.00 0.00 175.10 176.08 1mfn h ARG 120 N 6.24 -0.20 -2.50 2.72 1.12 0.31 -3.46 114.38 118.62 1mfn h ARG 120 Ca -0.44 0.01 0.15 0.00 -1.11 0.00 0.00 59.98 58.60 1mfn h ARG 120 Cb 1.18 0.04 -0.07 0.00 -0.01 0.00 0.00 29.97 31.12 1mfn h ARG 120 CO 0.72 -0.13 0.44 1.52 -3.11 0.00 0.00 179.97 179.41 1mfn s TYR 121 N -2.21 -0.10 0.05 2.20 -0.85 -0.96 -4.31 117.35 111.16 1mfn s TYR 121 Ca -0.03 -0.26 0.07 0.00 -0.52 0.00 0.00 57.07 56.33 1mfn s TYR 121 Cb 0.00 0.67 -0.03 0.00 0.38 0.00 0.00 41.96 42.98 1mfn s TYR 121 CO 0.09 -0.94 -0.16 0.71 -1.52 0.00 0.00 175.55 173.73 1mfn s TYR 122 N -3.21 2.62 -0.56 -3.49 1.51 -1.04 0.19 117.35 113.37 1mfn s TYR 122 Ca 0.13 -0.22 -0.07 0.00 -1.01 0.00 0.00 57.07 55.90 1mfn s TYR 122 Cb -0.02 -1.47 0.14 0.00 -0.11 0.00 0.00 41.96 40.50 1mfn s TYR 122 CO 0.04 0.30 0.41 1.03 -1.11 0.00 0.00 175.55 176.22 1mfn s ARG 123 N -1.58 2.60 0.26 -0.62 0.52 -0.78 -0.35 118.95 118.99 1mfn s ARG 123 Ca 0.16 -2.10 -0.21 0.00 -0.52 0.00 0.00 55.73 53.06 1mfn s ARG 123 Cb -0.11 -3.89 -0.09 0.00 0.52 0.00 0.00 34.95 31.38 1mfn s ARG 123 CO 0.07 -1.19 0.78 0.42 0.02 0.00 0.00 175.30 175.40 1mfn s ILE 124 N 0.74 4.50 0.03 1.52 1.01 -0.46 -0.55 121.20 127.99 1mfn s ILE 124 Ca 0.11 1.37 0.04 0.00 0.00 0.00 0.00 60.65 62.17 1mfn s ILE 124 Cb -0.22 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 1mfn s ILE 124 CO -0.03 0.14 -0.12 0.42 0.00 0.00 0.00 174.94 175.35 1mfn s THR 125 N -1.60 0.94 -0.04 2.92 -4.23 0.47 0.02 115.64 114.11 1mfn s THR 125 Ca 0.46 -0.83 -0.22 0.00 -1.18 0.00 0.00 61.69 59.92 1mfn s THR 125 Cb -0.16 -0.85 -0.05 0.00 1.34 0.00 0.00 72.50 72.79 1mfn s THR 125 CO 0.21 0.02 0.63 -0.31 -0.54 0.00 0.00 174.62 174.63 1mfn s TYR 126 N -0.73 3.62 -0.35 3.99 1.51 0.54 -2.46 117.35 123.47 1mfn s TYR 126 Ca 0.01 1.19 -0.10 0.00 -1.01 0.00 0.00 57.07 57.17 1mfn s TYR 126 Cb -0.07 -2.70 0.02 0.00 -0.11 0.00 0.00 41.96 39.11 1mfn s TYR 126 CO 0.01 0.21 0.17 0.20 -1.11 0.00 0.00 175.55 175.03 1mfn s GLY 127 N 0.34 1.89 -0.06 0.71 0.00 0.47 -2.70 107.32 107.98 1mfn s GLY 127 Ca 0.33 -1.65 -0.01 0.00 0.00 0.00 0.00 44.72 43.39 1mfn s GLY 127 CO 0.17 0.79 0.03 -0.54 0.00 0.00 0.00 173.10 173.55 1mfn s GLU 128 N 1.53 2.99 0.06 2.90 2.02 -1.26 0.76 118.70 127.69 1mfn s GLU 128 Ca 0.02 -0.44 -0.18 0.00 0.02 0.00 0.00 54.97 54.38 1mfn s GLU 128 Cb -0.19 -2.81 -0.06 0.00 0.10 0.00 0.00 34.13 31.17 1mfn s GLU 128 CO 0.06 0.68 0.53 0.95 0.02 0.00 0.00 175.26 177.50 1mfn s THR 129 N -0.99 4.80 0.00 3.63 -4.23 -0.99 -4.30 115.64 113.55 1mfn s THR 129 Ca 0.16 1.13 0.00 0.00 -1.18 0.00 0.00 61.69 61.81 1mfn s THR 129 Cb -0.12 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 69.87 1mfn s THR 129 CO 0.06 0.56 0.00 0.61 -0.54 0.00 0.00 174.62 175.31 1mfn n GLY 130 N 1.73 -1.75 3.12 3.99 0.00 -1.26 -4.83 105.19 106.19 1mfn n GLY 130 Ca -0.11 -0.49 -0.21 0.00 0.00 0.00 0.00 46.02 45.21 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 0.14 -0.72 1.15 -0.02 0.00 -1.26 -4.94 105.19 99.53 1mfn n GLY 131 Ca 0.00 1.22 0.04 0.00 0.00 0.00 0.00 46.02 47.28 1mfn n GLY 131 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1mfn n ASN 132 N -0.24 1.16 -0.24 1.61 6.94 -1.26 -4.89 115.26 118.35 1mfn n ASN 132 Ca 0.03 -2.55 -0.04 0.00 -0.02 0.00 0.00 54.58 52.00 1mfn n ASN 132 Cb 0.55 -0.36 0.01 0.00 -2.36 0.00 0.00 39.78 37.62 1mfn n ASN 132 CO 0.00 0.00 0.00 -1.28 -1.03 0.00 0.00 177.26 174.95 1mfn h SER 133 N 0.91 -1.21 -0.60 0.53 0.87 -1.92 -2.87 113.55 109.25 1mfn h SER 133 Ca -0.15 0.24 -0.67 0.00 -1.23 0.00 0.00 61.79 59.99 1mfn h SER 133 Cb 1.60 0.61 -0.07 0.00 -0.44 0.00 0.00 62.40 64.10 1mfn h SER 133 CO 0.06 -0.30 2.41 -0.81 -0.53 0.00 0.00 176.83 177.66 1mfn n PRO 134 N -5.44 3.01 -0.79 2.24 -0.04 -1.26 -4.98 135.00 127.74 1mfn n PRO 134 Ca 0.05 -3.04 -0.30 0.00 -0.04 0.00 0.00 63.50 60.17 1mfn n PRO 134 Cb 0.36 -3.44 0.25 0.00 -0.04 0.00 0.00 33.50 30.64 1mfn n PRO 134 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1mfn s VAL 135 N 4.26 1.52 -0.48 0.52 -7.23 -1.09 -4.96 120.40 112.95 1mfn s VAL 135 Ca 0.53 0.00 -0.14 0.00 -1.81 0.00 0.00 61.98 60.56 1mfn s VAL 135 Cb 0.07 -2.30 0.09 0.00 0.56 0.00 0.00 36.38 34.79 1mfn s VAL 135 CO 0.04 0.00 0.39 -1.58 -0.31 0.00 0.00 175.10 173.64 1mfn s GLN 136 N -5.18 2.86 -0.29 4.82 0.74 -1.10 -4.79 119.66 116.73 1mfn s GLN 136 Ca 0.70 -1.50 -0.10 0.00 0.05 0.00 0.00 55.36 54.51 1mfn s GLN 136 Cb -0.13 -4.09 -0.03 0.00 1.10 0.00 0.00 33.01 29.86 1mfn s GLN 136 CO 0.58 -1.10 0.16 -2.00 -0.55 0.00 0.00 175.29 172.37 1mfn s GLU 137 N 1.56 3.69 0.02 1.67 2.12 -1.26 0.20 118.70 126.71 1mfn s GLU 137 Ca 0.04 -0.48 0.08 0.00 0.36 0.00 0.00 54.97 54.96 1mfn s GLU 137 Cb -0.26 -3.58 -0.02 0.00 0.26 0.00 0.00 34.13 30.53 1mfn s GLU 137 CO 0.04 -0.27 -0.24 -0.59 -0.54 0.00 0.00 175.26 173.67 1mfn s PHE 138 N 1.69 2.11 1.04 5.30 -0.12 0.10 -4.95 117.98 123.15 1mfn s PHE 138 Ca 0.06 -0.40 -0.16 0.00 -0.05 0.00 0.00 56.93 56.39 1mfn s PHE 138 Cb -0.16 -1.30 0.21 0.00 -0.63 0.00 0.00 43.02 41.14 1mfn s PHE 138 CO 0.08 0.04 1.18 0.95 -0.05 0.00 0.00 175.22 177.42 1mfn s THR 139 N -0.69 1.85 -0.04 -4.49 -4.23 -1.26 -1.35 115.64 105.43 1mfn s THR 139 Ca 0.10 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.55 1mfn s THR 139 Cb -0.09 -2.71 0.01 0.00 1.34 0.00 0.00 72.50 71.05 1mfn s THR 139 CO 0.01 0.00 0.15 -0.69 -0.54 0.00 0.00 174.62 173.54 1mfn s VAL 140 N -3.33 0.02 0.43 2.29 1.01 0.52 -4.74 120.40 116.61 1mfn s VAL 140 Ca 0.69 -0.19 -0.22 0.00 0.00 0.00 0.00 61.98 62.26 1mfn s VAL 140 Cb -0.10 -0.28 -0.10 0.00 0.00 0.00 0.00 36.38 35.90 1mfn s VAL 140 CO 0.54 -0.11 1.00 -2.16 0.00 0.00 0.00 175.10 174.38 1mfn s PRO 141 N -0.32 4.10 -0.07 2.72 0.04 -1.26 -2.48 135.00 137.73 1mfn s PRO 141 Ca -0.04 1.30 0.06 0.00 0.04 0.00 0.00 61.00 62.35 1mfn s PRO 141 Cb -0.03 -2.28 0.28 0.00 0.04 0.00 0.00 34.50 32.52 1mfn s PRO 141 CO 0.01 -0.16 1.00 0.41 0.04 0.00 0.00 177.00 178.29 1mfn n GLY 142 N -0.21 1.65 1.72 0.56 0.00 -1.26 -3.88 105.19 103.77 1mfn n GLY 142 Ca 0.07 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 1mfn n GLY 142 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1mfn n SER 143 N 0.23 3.58 -3.64 1.61 3.41 -1.26 -4.93 113.62 112.63 1mfn n SER 143 Ca 0.10 -3.53 -0.10 0.00 -0.26 0.00 0.00 58.87 55.07 1mfn n SER 143 Cb 0.51 -0.73 -0.07 0.00 -0.26 0.00 0.00 64.21 63.66 1mfn n SER 143 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1mfn s LYS 144 N -3.18 0.62 0.08 4.33 1.02 -1.25 -5.03 119.74 116.33 1mfn s LYS 144 Ca 0.51 0.77 0.23 0.00 0.02 0.00 0.00 55.97 57.50 1mfn s LYS 144 Cb 0.44 0.29 0.10 0.00 -0.52 0.00 0.00 37.83 38.13 1mfn s LYS 144 CO 0.08 -0.08 1.07 -1.13 -0.92 0.00 0.00 175.35 174.37 1mfn n SER 145 N 2.55 0.63 -4.17 2.83 3.41 -1.26 -4.84 113.62 112.77 1mfn n SER 145 Ca -0.14 -0.06 -0.29 0.00 -0.26 0.00 0.00 58.87 58.13 1mfn n SER 145 Cb 0.56 0.65 -0.17 0.00 -0.26 0.00 0.00 64.21 65.00 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 -3.22 1.73 0.00 6.66 -4.23 -1.26 -2.11 115.64 113.20 1mfn s THR 146 Ca 0.03 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.69 1mfn s THR 146 Cb 0.14 -1.50 0.00 0.00 1.34 0.00 0.00 72.50 72.48 1mfn s THR 146 CO 0.79 0.49 0.00 0.00 -0.54 0.00 0.00 174.62 175.35 1mfn n ALA 147 N 3.37 0.00 -2.55 3.99 0.00 -0.55 -4.96 120.51 119.81 1mfn n ALA 147 Ca -0.19 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.15 1mfn n ALA 147 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 1mfn n ALA 147 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1mfn s THR 148 N -0.15 0.06 -0.06 0.00 2.01 -1.26 -1.68 115.64 114.57 1mfn s THR 148 Ca 0.00 -1.59 -0.01 0.00 0.31 0.00 0.00 61.69 60.40 1mfn s THR 148 Cb 0.00 -1.99 0.03 0.00 0.01 0.00 0.00 72.50 70.55 1mfn s THR 148 CO 0.00 -0.29 0.02 -0.63 -0.69 0.00 0.00 174.62 173.03 1mfn s ILE 149 N -4.01 0.21 0.47 1.82 1.01 -0.86 -4.93 121.20 114.90 1mfn s ILE 149 Ca 0.21 0.20 0.02 0.00 0.00 0.00 0.00 60.65 61.09 1mfn s ILE 149 Cb 0.04 -0.38 -0.02 0.00 0.01 0.00 0.00 42.46 42.11 1mfn s ILE 149 CO 0.02 0.22 0.04 0.20 0.00 0.00 0.00 174.94 175.42 1mfn s ASN 150 N 1.86 3.66 -1.26 3.58 0.01 -1.26 -1.94 114.94 119.59 1mfn s ASN 150 Ca 0.02 -1.63 -0.01 0.00 -0.71 0.00 0.00 52.86 50.54 1mfn s ASN 150 Cb -0.12 0.42 0.00 0.00 0.41 0.00 0.00 41.25 41.96 1mfn s ASN 150 CO -0.04 -0.83 0.12 0.59 -1.51 0.00 0.00 177.10 175.43 1mfn n ASN 151 N -1.23 -4.67 -4.94 -1.22 4.13 -1.18 -4.96 115.26 101.19 1mfn n ASN 151 Ca -0.14 -0.07 -0.24 0.00 1.68 0.00 0.00 54.58 55.82 1mfn n ASN 151 Cb 0.66 -3.73 0.03 0.00 -1.54 0.00 0.00 39.78 35.21 1mfn n ASN 151 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1mfn s ILE 152 N -2.83 3.26 -0.33 2.41 2.07 -1.15 -5.06 121.20 119.58 1mfn s ILE 152 Ca 0.06 -0.35 -0.08 0.00 -1.41 0.00 0.00 60.65 58.87 1mfn s ILE 152 Cb -0.03 -3.27 0.02 0.00 0.13 0.00 0.00 42.46 39.32 1mfn s ILE 152 CO 0.08 -0.23 0.13 -0.54 -1.91 0.00 0.00 174.94 172.47 1mfn s LYS 153 N -4.85 2.90 0.81 3.50 1.02 -1.26 -4.83 119.74 117.03 1mfn s LYS 153 Ca 0.54 -1.00 -0.12 0.00 0.02 0.00 0.00 55.97 55.41 1mfn s LYS 153 Cb -0.10 -3.52 0.08 0.00 -0.52 0.00 0.00 37.83 33.76 1mfn s LYS 153 CO 0.41 -0.58 1.12 -1.25 -0.92 0.00 0.00 175.35 174.14 1mfn s PRO 154 N 1.50 2.01 -0.18 -1.68 0.04 -1.26 -4.55 135.00 130.88 1mfn s PRO 154 Ca 0.01 0.40 -0.01 0.00 0.04 0.00 0.00 61.00 61.44 1mfn s PRO 154 Cb -0.18 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 1mfn s PRO 154 CO 0.04 -1.62 0.15 0.41 0.04 0.00 0.00 177.00 176.03 1mfn n GLY 155 N -2.61 0.50 0.00 0.56 0.00 0.47 -5.02 105.19 99.10 1mfn n GLY 155 Ca 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.71 0.00 -0.75 4.61 0.00 0.32 -5.00 120.51 117.98 1mfn n ALA 156 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.09 1mfn n ALA 156 Cb 0.52 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.11 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 -2.39 -3.51 0.00 2.03 -1.26 -2.33 116.55 109.09 1mfn n ASP 157 Ca 0.00 0.11 -0.17 0.00 0.52 0.00 0.00 54.79 55.26 1mfn n ASP 157 Cb 0.00 -1.06 -0.08 0.00 -0.72 0.00 0.00 41.12 39.26 1mfn n ASP 157 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1mfn s TYR 158 N -2.30 1.46 -0.22 -0.67 1.51 -0.28 -2.35 117.35 114.50 1mfn s TYR 158 Ca 0.55 -1.51 -0.03 0.00 -1.01 0.00 0.00 57.07 55.07 1mfn s TYR 158 Cb -0.16 -0.53 0.11 0.00 -0.11 0.00 0.00 41.96 41.27 1mfn s TYR 158 CO 0.67 -0.89 0.29 0.99 -1.11 0.00 0.00 175.55 175.51 1mfn s THR 159 N -3.52 -0.44 -0.13 -0.71 2.01 0.23 -1.15 115.64 111.93 1mfn s THR 159 Ca 0.38 -0.11 -0.11 0.00 0.31 0.00 0.00 61.69 62.16 1mfn s THR 159 Cb 0.03 -0.74 -0.05 0.00 0.01 0.00 0.00 72.50 71.74 1mfn s THR 159 CO 0.23 -0.18 0.23 -0.63 -0.69 0.00 0.00 174.62 173.58 1mfn s ILE 160 N 2.42 5.34 -0.01 1.82 -1.09 -0.18 0.18 121.20 129.67 1mfn s ILE 160 Ca 0.09 0.43 -0.08 0.00 -2.23 0.00 0.00 60.65 58.86 1mfn s ILE 160 Cb -0.16 -3.54 0.01 0.00 -1.58 0.00 0.00 42.46 37.19 1mfn s ILE 160 CO -0.14 0.50 0.16 -0.89 -1.23 0.00 0.00 174.94 173.34 1mfn s THR 161 N -0.29 0.06 0.02 2.92 2.01 -1.03 0.76 115.64 120.10 1mfn s THR 161 Ca 0.16 -0.52 -0.00 0.00 0.31 0.00 0.00 61.69 61.63 1mfn s THR 161 Cb -0.13 -0.41 -0.02 0.00 0.01 0.00 0.00 72.50 71.96 1mfn s THR 161 CO 0.04 -0.28 -0.02 -1.48 -0.69 0.00 0.00 174.62 172.19 1mfn s LEU 162 N -1.04 2.22 0.00 4.42 2.34 -0.46 0.18 118.68 126.33 1mfn s LEU 162 Ca -0.11 -0.51 0.01 0.00 0.06 0.00 0.00 54.13 53.58 1mfn s LEU 162 Cb -0.06 0.14 0.01 0.00 -0.56 0.00 0.00 46.19 45.72 1mfn s LEU 162 CO 0.01 -0.32 0.12 -1.22 -1.06 0.00 0.00 176.35 173.88 1mfn n TYR 163 N 1.50 0.01 -3.42 3.48 4.02 0.29 -2.26 117.16 120.77 1mfn n TYR 163 Ca -0.23 -1.55 -0.17 0.00 -0.01 0.00 0.00 57.90 55.94 1mfn n TYR 163 Cb 0.55 -0.25 -0.10 0.00 -0.02 0.00 0.00 39.34 39.52 1mfn n TYR 163 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1mfn s ALA 164 N -2.53 -0.47 0.08 -0.72 0.00 -1.26 -1.87 121.76 114.99 1mfn s ALA 164 Ca 0.09 0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.75 1mfn s ALA 164 Cb -0.01 -1.64 -0.05 0.00 0.00 0.00 0.00 23.12 21.43 1mfn s ALA 164 CO 0.06 -1.50 0.97 0.08 0.00 0.00 0.00 175.76 175.37 1mfn s VAL 165 N 2.37 4.59 0.00 0.00 1.01 0.52 -2.05 120.40 126.84 1mfn s VAL 165 Ca 0.09 2.05 0.00 0.00 0.00 0.00 0.00 61.98 64.12 1mfn s VAL 165 Cb -0.15 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.92 1mfn s VAL 165 CO -0.25 0.27 0.00 0.35 0.00 0.00 0.00 175.10 175.47 1mfn n THR 166 N 3.14 0.00 -1.25 3.92 -2.24 -0.33 0.25 114.28 117.77 1mfn n THR 166 Ca 0.04 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.43 1mfn n THR 166 Cb 0.50 -0.96 0.03 0.00 -2.10 0.00 0.00 70.33 67.79 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 2.21 -2.93 2.65 3.38 0.00 -1.23 -4.59 105.19 104.68 1mfn n GLY 167 Ca 0.00 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 1mfn n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mfn n ARG 168 N 1.11 1.04 0.00 1.61 1.74 -1.26 -4.12 116.66 116.78 1mfn n ARG 168 Ca 0.07 -2.15 0.00 0.00 -0.77 0.00 0.00 57.85 55.00 1mfn n ARG 168 Cb 0.49 -0.99 0.00 0.00 -1.02 0.00 0.00 32.46 30.94 1mfn n ARG 168 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1mfn n GLY 169 N 0.20 0.80 0.00 -0.13 0.00 -1.26 -4.92 105.19 99.88 1mfn n GLY 169 Ca 0.07 0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.34 1mfn n GLY 169 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mfn n ASP 170 N 0.00 0.00 0.00 1.61 -0.08 -1.26 -4.81 116.55 112.01 1mfn n ASP 170 Ca 0.00 -1.10 0.00 0.00 -1.51 0.00 0.00 54.79 52.18 1mfn n ASP 170 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1mfn n ASP 170 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1mfn n SER 171 N -0.86 0.00 -4.56 1.67 7.64 -1.26 -5.09 113.62 111.16 1mfn n SER 171 Ca 0.15 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.62 1mfn n SER 171 Cb 0.07 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.24 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 -0.81 3.21 0.17 1.43 0.04 -1.26 -4.08 135.00 133.70 1mfn s PRO 172 Ca 0.00 0.16 -0.02 0.00 0.04 0.00 0.00 61.00 61.18 1mfn s PRO 172 Cb 0.00 -4.16 0.04 0.00 0.04 0.00 0.00 34.50 30.42 1mfn s PRO 172 CO 0.00 -2.08 0.23 0.00 0.04 0.00 0.00 177.00 175.19 1mfn n ALA 173 N 9.69 -0.17 -3.64 8.56 0.00 -1.26 -4.79 120.51 128.90 1mfn n ALA 173 Ca 0.09 -0.35 -0.08 0.00 0.00 0.00 0.00 53.44 53.10 1mfn n ALA 173 Cb 0.49 0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.89 1mfn n ALA 173 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1mfn s SER 174 N -1.88 -0.66 1.00 0.00 1.04 -1.26 -1.18 113.70 110.77 1mfn s SER 174 Ca 0.14 1.16 -0.11 0.00 0.48 0.00 0.00 55.95 57.62 1mfn s SER 174 Cb -0.01 1.22 0.17 0.00 0.10 0.00 0.00 66.02 67.50 1mfn s SER 174 CO 0.10 -0.19 0.38 -1.54 0.98 0.00 0.00 173.24 172.96 1mfn n SER 175 N 3.16 -2.73 -4.77 7.02 3.41 -0.87 -4.84 113.62 114.01 1mfn n SER 175 Ca -0.16 -0.38 -0.40 0.00 -0.26 0.00 0.00 58.87 57.67 1mfn n SER 175 Cb 0.57 -0.53 -0.01 0.00 -0.26 0.00 0.00 64.21 63.98 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 -3.36 4.22 0.17 4.33 1.02 -1.26 -4.59 119.74 120.26 1mfn s LYS 176 Ca 0.29 2.20 -0.30 0.00 0.02 0.00 0.00 55.97 58.19 1mfn s LYS 176 Cb -0.05 -2.96 -0.07 0.00 -0.52 0.00 0.00 37.83 34.23 1mfn s LYS 176 CO 0.24 -0.30 1.01 -1.25 -0.92 0.00 0.00 175.35 174.14 1mfn s PRO 177 N -1.96 4.69 -0.09 -1.68 0.04 -1.26 -4.79 135.00 129.95 1mfn s PRO 177 Ca 0.52 1.57 -0.02 0.00 0.04 0.00 0.00 61.00 63.11 1mfn s PRO 177 Cb -0.39 -3.31 -0.03 0.00 0.04 0.00 0.00 34.50 30.80 1mfn s PRO 177 CO 0.52 0.23 -0.02 0.08 0.04 0.00 0.00 177.00 177.85 1mfn s VAL 178 N -0.40 4.09 0.31 -0.36 1.01 -0.96 -4.96 120.40 119.14 1mfn s VAL 178 Ca 0.46 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.15 1mfn s VAL 178 Cb -0.26 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 1mfn s VAL 178 CO 0.33 0.58 0.13 -0.94 0.00 0.00 0.00 175.10 175.20 1mfn s SER 179 N -0.63 1.74 0.25 3.32 1.04 -1.26 -1.35 113.70 116.79 1mfn s SER 179 Ca 0.10 -1.52 -0.16 0.00 0.48 0.00 0.00 55.95 54.85 1mfn s SER 179 Cb -0.12 0.31 0.01 0.00 0.10 0.00 0.00 66.02 66.32 1mfn s SER 179 CO 0.02 -0.84 0.55 0.27 0.98 0.00 0.00 173.24 174.22 1mfn s ILE 180 N -3.55 0.01 0.60 -1.02 -4.36 0.23 -4.95 121.20 108.16 1mfn s ILE 180 Ca 0.34 -1.20 0.08 0.00 -0.26 0.00 0.00 60.65 59.61 1mfn s ILE 180 Cb 0.06 -2.04 0.09 0.00 1.25 0.00 0.00 42.46 41.81 1mfn s ILE 180 CO 0.16 -0.03 0.83 0.20 0.24 0.00 0.00 174.94 176.34 1mfn s ASN 181 N -2.97 4.97 0.24 4.36 0.02 -1.26 -1.01 114.94 119.28 1mfn s ASN 181 Ca 0.17 -0.75 -0.22 0.00 -1.02 0.00 0.00 52.86 51.04 1mfn s ASN 181 Cb -0.02 0.23 0.05 0.00 0.02 0.00 0.00 41.25 41.52 1mfn s ASN 181 CO 0.06 -1.43 0.85 -0.47 0.02 0.00 0.00 177.10 176.14 1mfn s TYR 182 N -2.75 -0.09 -0.23 2.20 5.04 -0.30 -4.57 117.35 116.64 1mfn s TYR 182 Ca 0.63 -0.34 -0.03 0.00 -2.44 0.00 0.00 57.07 54.89 1mfn s TYR 182 Cb -0.06 0.70 0.12 0.00 0.35 0.00 0.00 41.96 43.07 1mfn s TYR 182 CO 0.40 -1.10 0.32 0.21 -1.34 0.00 0.00 175.55 174.03 1mfn s LYS 183 N -3.26 0.29 0.00 4.97 2.20 -1.26 -1.12 119.74 121.55 1mfn s LYS 183 Ca 0.13 0.39 0.23 0.00 -0.36 0.00 0.00 55.97 56.36 1mfn s LYS 183 Cb -0.04 -0.77 0.18 0.00 -1.51 0.00 0.00 37.83 35.69 1mfn s LYS 183 CO 0.06 -0.66 1.22 0.25 -0.36 0.00 0.00 175.35 175.86