#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 -4.73 0.99 4.77 -1.26 -5.03 117.00 111.74 1mfn n LEU 2 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 1mfn n LEU 2 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1mfn n LEU 2 CO 0.00 0.00 0.66 -1.81 -1.33 0.00 0.00 177.39 174.91 1mfn s ASP 3 N -0.21 7.53 -0.40 -1.43 1.01 -1.26 -4.97 116.67 116.93 1mfn s ASP 3 Ca 0.00 1.82 -0.17 0.00 0.71 0.00 0.00 52.55 54.91 1mfn s ASP 3 Cb 0.00 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.35 1mfn s ASP 3 CO 0.00 -0.01 0.46 -0.55 0.21 0.00 0.00 175.17 175.28 1mfn s SER 4 N -0.28 6.22 -0.38 0.27 0.15 -1.26 -4.63 113.70 113.79 1mfn s SER 4 Ca 0.45 -0.49 -0.29 0.00 0.70 0.00 0.00 55.95 56.32 1mfn s SER 4 Cb -0.24 -2.24 0.01 0.00 -1.71 0.00 0.00 66.02 61.85 1mfn s SER 4 CO 0.30 -0.55 1.27 -2.16 1.20 0.00 0.00 173.24 173.30 1mfn s PRO 5 N 2.23 3.77 0.00 5.44 0.04 -1.26 -4.84 135.00 140.38 1mfn s PRO 5 Ca 0.14 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1mfn s PRO 5 Cb -0.16 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.46 1mfn s PRO 5 CO 0.14 -1.31 0.00 0.25 0.04 0.00 0.00 177.00 176.11 1mfn n THR 6 N 6.63 0.00 -1.86 1.26 -2.24 -1.25 -4.78 114.28 112.03 1mfn n THR 6 Ca 0.14 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.86 1mfn n THR 6 Cb 0.48 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.69 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 0.05 3.52 3.38 0.00 -1.26 -2.89 105.19 112.99 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 -2.26 0.49 -3.86 1.61 -0.00 -1.26 -4.23 117.46 107.96 1mfn n PHE 8 Ca -0.08 0.08 -0.30 0.00 -0.00 0.00 0.00 57.45 57.15 1mfn n PHE 8 Cb 0.40 -1.52 -0.15 0.00 -0.00 0.00 0.00 39.48 38.21 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 5.25 4.25 0.18 -2.13 -1.08 -0.32 -4.96 116.67 117.85 1mfn s ASP 9 Ca 1.21 -1.75 -0.19 0.00 -0.52 0.00 0.00 52.55 51.30 1mfn s ASP 9 Cb -0.71 -1.17 -0.08 0.00 -1.46 0.00 0.00 42.92 39.50 1mfn s ASP 9 CO 0.42 -0.38 0.66 -0.44 0.52 0.00 0.00 175.17 175.95 1mfn s SER 10 N 1.34 7.03 0.00 -0.34 0.01 -1.26 -1.41 113.70 119.06 1mfn s SER 10 Ca 0.08 1.33 0.00 0.00 1.31 0.00 0.00 55.95 58.67 1mfn s SER 10 Cb -0.18 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1mfn s SER 10 CO -0.16 0.10 0.00 -1.54 0.41 0.00 0.00 173.24 172.05 1mfn n SER 11 N 0.96 0.00 -3.64 2.44 3.41 -0.32 -4.85 113.62 111.62 1mfn n SER 11 Ca -0.05 -0.13 -0.25 0.00 -0.26 0.00 0.00 58.87 58.18 1mfn n SER 11 Cb 0.51 0.00 -0.04 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 -0.34 -2.14 -4.83 4.04 9.92 -1.26 -0.85 116.55 121.09 1mfn n ASP 12 Ca 0.00 -0.51 -0.32 0.00 -0.53 0.00 0.00 54.79 53.43 1mfn n ASP 12 Cb 0.00 -1.86 0.00 0.00 -0.64 0.00 0.00 41.12 38.63 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 -2.81 4.23 0.13 0.53 1.01 -1.26 -1.57 121.20 121.47 1mfn s ILE 13 Ca 0.48 0.94 -0.12 0.00 0.00 0.00 0.00 60.65 61.95 1mfn s ILE 13 Cb -0.27 -3.58 0.01 0.00 0.01 0.00 0.00 42.46 38.63 1mfn s ILE 13 CO 0.59 -0.74 0.33 0.42 0.00 0.00 0.00 174.94 175.54 1mfn s THR 14 N -2.74 0.09 0.15 2.92 -4.23 0.75 -4.84 115.64 107.73 1mfn s THR 14 Ca 0.60 -0.96 -0.04 0.00 -1.18 0.00 0.00 61.69 60.10 1mfn s THR 14 Cb -0.13 -1.42 -0.13 0.00 1.34 0.00 0.00 72.50 72.16 1mfn s THR 14 CO 0.41 -0.39 1.38 0.00 -0.54 0.00 0.00 174.62 175.48 1mfn h ALA 15 N 2.50 0.49 -0.62 3.99 0.00 -1.74 -2.94 119.26 120.93 1mfn h ALA 15 Ca -0.33 -0.63 -0.10 0.00 0.00 0.00 0.00 54.91 53.85 1mfn h ALA 15 Cb 1.23 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 1mfn h ALA 15 CO 0.49 0.76 0.13 0.27 0.00 0.00 0.00 179.25 180.89 1mfn n ASN 16 N -3.84 5.08 0.00 0.00 6.94 -1.24 -2.45 115.26 119.76 1mfn n ASN 16 Ca -0.05 -3.00 0.00 0.00 -0.02 0.00 0.00 54.58 51.50 1mfn n ASN 16 Cb 0.74 -0.71 0.00 0.00 -2.36 0.00 0.00 39.78 37.46 1mfn n ASN 16 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1mfn n SER 17 N 0.24 0.00 -3.64 0.53 3.41 -1.13 -1.32 113.62 111.72 1mfn n SER 17 Ca 0.32 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.84 1mfn n SER 17 Cb 1.24 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 65.12 1mfn n SER 17 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1mfn s PHE 18 N -2.00 -0.52 0.49 7.33 -0.12 -0.80 0.27 117.98 122.61 1mfn s PHE 18 Ca 0.00 1.27 -0.18 0.00 -0.05 0.00 0.00 56.93 57.96 1mfn s PHE 18 Cb 0.00 0.35 -0.09 0.00 -0.63 0.00 0.00 43.02 42.66 1mfn s PHE 18 CO 0.00 -0.25 0.98 0.99 -0.05 0.00 0.00 175.22 176.89 1mfn s THR 19 N 0.31 4.41 -0.04 -4.49 2.01 -0.03 -2.01 115.64 115.80 1mfn s THR 19 Ca 0.02 1.29 0.04 0.00 0.31 0.00 0.00 61.69 63.35 1mfn s THR 19 Cb -0.05 -3.65 -0.00 0.00 0.01 0.00 0.00 72.50 68.81 1mfn s THR 19 CO -0.06 -0.53 -0.17 -0.69 -0.69 0.00 0.00 174.62 172.48 1mfn s VAL 20 N -2.43 1.43 0.35 3.82 1.01 0.40 -1.17 120.40 123.80 1mfn s VAL 20 Ca 0.61 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.92 1mfn s VAL 20 Cb -0.10 -1.23 -0.06 0.00 0.00 0.00 0.00 36.38 34.99 1mfn s VAL 20 CO 0.25 0.41 0.06 -1.00 0.00 0.00 0.00 175.10 174.81 1mfn s HIS 21 N 0.06 2.02 -0.30 5.22 3.76 -0.50 0.14 115.29 125.70 1mfn s HIS 21 Ca -0.04 -0.95 -0.29 0.00 -0.15 0.00 0.00 55.06 53.63 1mfn s HIS 21 Cb -0.12 -1.35 0.20 0.00 1.11 0.00 0.00 32.58 32.42 1mfn s HIS 21 CO 0.02 0.05 1.40 1.67 -0.85 0.00 0.00 174.74 177.03 1mfn s TRP 22 N -3.20 -0.01 0.42 1.40 -2.14 0.36 -1.18 118.94 114.59 1mfn s TRP 22 Ca 0.34 0.01 -0.23 0.00 2.66 0.00 0.00 56.10 58.89 1mfn s TRP 22 Cb 0.08 0.50 -0.09 0.00 -3.10 0.00 0.00 33.47 30.86 1mfn s TRP 22 CO 0.15 -0.00 1.01 0.08 -2.66 0.00 0.00 176.95 175.53 1mfn s VAL 23 N -0.92 3.96 0.71 -0.66 1.01 -1.14 -4.64 120.40 118.72 1mfn s VAL 23 Ca 0.10 1.37 -0.11 0.00 0.00 0.00 0.00 61.98 63.34 1mfn s VAL 23 Cb -0.01 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.74 1mfn s VAL 23 CO -0.10 -0.12 1.07 0.00 0.00 0.00 0.00 175.10 175.96 1mfn s ALA 24 N -1.86 2.68 0.52 5.51 0.00 -1.26 -3.86 121.76 123.49 1mfn s ALA 24 Ca 0.60 -0.06 -0.17 0.00 0.00 0.00 0.00 51.96 52.33 1mfn s ALA 24 Cb -0.17 -3.12 -0.07 0.00 0.00 0.00 0.00 23.12 19.75 1mfn s ALA 24 CO 0.22 -1.23 1.00 -1.25 0.00 0.00 0.00 175.76 174.50 1mfn s PRO 25 N -5.13 3.82 0.00 0.00 0.04 -1.26 -4.71 135.00 127.76 1mfn s PRO 25 Ca 0.58 1.08 0.24 0.00 0.04 0.00 0.00 61.00 62.95 1mfn s PRO 25 Cb -0.13 -2.11 1.42 0.00 0.04 0.00 0.00 34.50 33.71 1mfn s PRO 25 CO 0.54 -0.38 1.82 0.54 0.04 0.00 0.00 177.00 179.56 1mfn n ARG 26 N -1.49 0.70 -3.63 4.56 1.74 -1.26 -4.77 116.66 112.51 1mfn n ARG 26 Ca 0.07 0.01 -0.20 0.00 -0.77 0.00 0.00 57.85 56.97 1mfn n ARG 26 Cb 0.54 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.46 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 -2.09 4.08 -0.57 7.54 0.00 -1.26 -4.99 121.76 124.46 1mfn s ALA 27 Ca 0.34 -1.51 -0.28 0.00 0.00 0.00 0.00 51.96 50.52 1mfn s ALA 27 Cb 0.17 -1.51 0.02 0.00 0.00 0.00 0.00 23.12 21.80 1mfn s ALA 27 CO 0.30 0.00 1.29 -1.25 0.00 0.00 0.00 175.76 176.10 1mfn s PRO 28 N -4.10 3.42 0.39 0.00 0.04 -1.26 -4.91 135.00 128.60 1mfn s PRO 28 Ca 0.43 0.34 0.08 0.00 0.04 0.00 0.00 61.00 61.88 1mfn s PRO 28 Cb -0.08 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.40 1mfn s PRO 28 CO 0.29 -1.79 0.53 0.96 0.04 0.00 0.00 177.00 177.03 1mfn s ILE 29 N 5.43 3.29 -0.12 0.56 -4.36 -1.26 -4.88 121.20 119.86 1mfn s ILE 29 Ca 0.47 -1.02 0.07 0.00 -0.26 0.00 0.00 60.65 59.92 1mfn s ILE 29 Cb -0.09 -3.12 -0.10 0.00 1.25 0.00 0.00 42.46 40.40 1mfn s ILE 29 CO 0.25 -0.05 0.21 0.35 0.24 0.00 0.00 174.94 175.95 1mfn n THR 30 N -1.77 0.00 -3.16 8.37 -2.24 0.71 -4.94 114.28 111.25 1mfn n THR 30 Ca 0.05 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1mfn n THR 30 Cb 0.59 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 1mfn n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mfn n GLY 31 N 1.78 -0.92 3.52 3.38 0.00 -1.10 -4.33 105.19 107.52 1mfn n GLY 31 Ca -0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1mfn n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mfn s TYR 32 N -3.00 -0.97 0.44 1.61 2.02 -0.87 -3.05 117.35 113.52 1mfn s TYR 32 Ca 0.00 1.70 -0.22 0.00 -0.37 0.00 0.00 57.07 58.17 1mfn s TYR 32 Cb 0.00 0.58 -0.09 0.00 -0.40 0.00 0.00 41.96 42.05 1mfn s TYR 32 CO 0.00 -0.48 1.04 0.42 -1.57 0.00 0.00 175.55 174.96 1mfn s ILE 33 N 2.57 3.78 -0.38 2.71 -1.09 0.97 -1.12 121.20 128.65 1mfn s ILE 33 Ca -0.04 1.24 0.01 0.00 -2.23 0.00 0.00 60.65 59.62 1mfn s ILE 33 Cb -0.08 -3.58 0.13 0.00 -1.58 0.00 0.00 42.46 37.34 1mfn s ILE 33 CO -0.18 -0.11 0.19 -0.63 -1.23 0.00 0.00 174.94 172.98 1mfn s ILE 34 N -1.82 0.89 0.19 2.92 -1.09 0.25 -1.89 121.20 120.66 1mfn s ILE 34 Ca 0.62 -1.97 0.04 0.00 -2.23 0.00 0.00 60.65 57.10 1mfn s ILE 34 Cb -0.19 -1.65 -0.03 0.00 -1.58 0.00 0.00 42.46 39.01 1mfn s ILE 34 CO 0.24 -0.86 0.30 0.00 -1.23 0.00 0.00 174.94 173.39 1mfn s ARG 35 N 0.93 3.39 -0.03 2.79 1.04 -0.82 0.23 118.95 126.48 1mfn s ARG 35 Ca 0.15 -0.69 -0.04 0.00 -1.04 0.00 0.00 55.73 54.11 1mfn s ARG 35 Cb -0.22 -2.90 0.01 0.00 -2.04 0.00 0.00 34.95 29.79 1mfn s ARG 35 CO -0.07 0.48 0.10 -3.38 -0.04 0.00 0.00 175.30 172.39 1mfn s HIS 36 N -1.85 -0.05 -0.28 5.89 -3.43 -1.04 0.60 115.29 115.14 1mfn s HIS 36 Ca 0.34 0.12 -0.17 0.00 -0.80 0.00 0.00 55.06 54.55 1mfn s HIS 36 Cb -0.10 -0.00 0.10 0.00 -1.43 0.00 0.00 32.58 31.15 1mfn s HIS 36 CO 0.28 -0.12 0.79 -3.38 -2.00 0.00 0.00 174.74 170.31 1mfn s HIS 37 N -0.42 -0.89 0.07 0.38 -3.43 0.03 -1.98 115.29 109.04 1mfn s HIS 37 Ca -0.05 1.79 -0.30 0.00 -0.80 0.00 0.00 55.06 55.70 1mfn s HIS 37 Cb -0.03 0.53 -0.05 0.00 -1.43 0.00 0.00 32.58 31.59 1mfn s HIS 37 CO 0.00 -0.44 1.15 0.00 -2.00 0.00 0.00 174.74 173.45 1mfn s ALA 38 N 1.47 3.35 -0.44 -1.38 0.00 -1.26 -0.28 121.76 123.22 1mfn s ALA 38 Ca -0.09 0.80 0.17 0.00 0.00 0.00 0.00 51.96 52.84 1mfn s ALA 38 Cb -0.05 -3.42 0.89 0.00 0.00 0.00 0.00 23.12 20.55 1mfn s ALA 38 CO -0.17 -0.37 1.53 -0.85 0.00 0.00 0.00 175.76 175.90 1mfn n GLU 39 N 3.69 0.11 -0.42 0.00 0.28 -1.25 -0.38 120.64 122.68 1mfn n GLU 39 Ca 0.08 0.56 0.08 0.00 -0.16 0.00 0.00 57.16 57.71 1mfn n GLU 39 Cb 0.47 -1.83 0.25 0.00 1.43 0.00 0.00 31.44 31.76 1mfn n GLU 39 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1mfn n HIS 40 N -2.07 0.96 -3.44 -1.84 8.25 -1.26 -4.98 115.22 110.84 1mfn n HIS 40 Ca -0.00 -0.70 -0.30 0.00 -0.26 0.00 0.00 57.72 56.46 1mfn n HIS 40 Cb 0.07 -0.22 -0.04 0.00 1.12 0.00 0.00 29.99 30.92 1mfn n HIS 40 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1mfn s SER 41 N -1.37 6.49 0.00 0.41 1.04 0.48 -4.99 113.70 115.76 1mfn s SER 41 Ca 0.39 0.71 0.05 0.00 0.48 0.00 0.00 55.95 57.58 1mfn s SER 41 Cb 0.27 -2.14 0.04 0.00 0.10 0.00 0.00 66.02 64.29 1mfn s SER 41 CO 0.15 -0.12 0.65 0.52 0.98 0.00 0.00 173.24 175.42 1mfn n VAL 42 N -0.57 0.00 -3.97 5.02 0.31 -1.26 -4.96 118.33 112.91 1mfn n VAL 42 Ca -0.02 -0.50 -0.25 0.00 -0.01 0.00 0.00 64.34 63.57 1mfn n VAL 42 Cb 0.53 1.10 -0.03 0.00 -0.91 0.00 0.00 33.84 34.53 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 -0.45 1.61 0.46 2.92 0.00 -1.26 -5.04 107.32 105.56 1mfn s GLY 43 Ca 0.06 -1.10 -0.21 0.00 0.00 0.00 0.00 44.72 43.47 1mfn s GLY 43 CO 0.07 -1.11 0.42 0.54 0.00 0.00 0.00 173.10 173.02 1mfn n ARG 44 N -0.70 0.44 -2.66 2.90 5.12 -1.26 -4.88 116.66 115.61 1mfn n ARG 44 Ca -0.08 0.16 -0.41 0.00 -1.93 0.00 0.00 57.85 55.60 1mfn n ARG 44 Cb 0.55 -1.44 -0.05 0.00 -1.16 0.00 0.00 32.46 30.36 1mfn n ARG 44 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1mfn s PRO 45 N -1.56 4.73 0.90 5.56 0.04 -1.26 -5.05 135.00 138.36 1mfn s PRO 45 Ca 0.63 1.57 -0.12 0.00 0.04 0.00 0.00 61.00 63.12 1mfn s PRO 45 Cb -0.56 -3.29 0.13 0.00 0.04 0.00 0.00 34.50 30.81 1mfn s PRO 45 CO 0.59 0.30 1.13 1.03 0.04 0.00 0.00 177.00 180.08 1mfn s ARG 46 N -0.71 1.26 -0.16 4.56 0.52 -0.84 -4.92 118.95 118.66 1mfn s ARG 46 Ca 0.45 0.34 -0.04 0.00 -0.52 0.00 0.00 55.73 55.96 1mfn s ARG 46 Cb -0.27 -1.85 0.06 0.00 0.52 0.00 0.00 34.95 33.42 1mfn s ARG 46 CO 0.33 -2.13 0.11 -0.65 0.02 0.00 0.00 175.30 172.99 1mfn s GLN 47 N -5.25 0.07 0.54 3.54 -0.21 -1.26 -2.48 119.66 114.60 1mfn s GLN 47 Ca 0.63 0.05 0.05 0.00 0.02 0.00 0.00 55.36 56.11 1mfn s GLN 47 Cb -0.15 -1.51 0.03 0.00 1.00 0.00 0.00 33.01 32.38 1mfn s GLN 47 CO 0.53 -0.62 0.37 -0.51 -2.12 0.00 0.00 175.29 172.95 1mfn s ASP 48 N 2.18 4.58 0.06 5.90 1.11 0.63 -4.90 116.67 126.24 1mfn s ASP 48 Ca 0.03 -1.29 -0.19 0.00 0.18 0.00 0.00 52.55 51.29 1mfn s ASP 48 Cb -0.15 0.43 0.04 0.00 1.07 0.00 0.00 42.92 44.31 1mfn s ASP 48 CO -0.09 -1.08 0.43 -0.13 1.18 0.00 0.00 175.17 175.48 1mfn s ARG 49 N -4.24 0.97 0.08 8.23 3.00 -1.23 0.87 118.95 126.63 1mfn s ARG 49 Ca 0.31 -0.40 -0.04 0.00 0.00 0.00 0.00 55.73 55.60 1mfn s ARG 49 Cb -0.02 0.44 -0.03 0.00 0.00 0.00 0.00 34.95 35.34 1mfn s ARG 49 CO 0.19 -0.35 0.06 0.14 0.00 0.00 0.00 175.30 175.35 1mfn s VAL 50 N -2.72 0.18 0.98 3.52 -7.23 -0.28 -4.76 120.40 110.08 1mfn s VAL 50 Ca -0.04 -1.61 -0.15 0.00 -1.81 0.00 0.00 61.98 58.37 1mfn s VAL 50 Cb -0.00 -1.54 0.18 0.00 0.56 0.00 0.00 36.38 35.57 1mfn s VAL 50 CO -0.04 -0.80 1.19 -2.16 -0.31 0.00 0.00 175.10 172.98 1mfn s PRO 51 N -3.92 0.58 0.35 4.82 0.04 -1.26 -2.05 135.00 133.56 1mfn s PRO 51 Ca 0.09 -0.00 0.26 0.00 0.04 0.00 0.00 61.00 61.38 1mfn s PRO 51 Cb 0.07 -1.80 0.75 0.00 0.04 0.00 0.00 34.50 33.55 1mfn s PRO 51 CO -0.08 -2.52 1.74 -1.00 0.04 0.00 0.00 177.00 175.18 1mfn h PRO 52 N -1.72 0.00 -0.56 0.56 0.13 -1.82 -3.04 132.00 125.54 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 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1mfn h PRO 52 CO 0.50 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.72 1mfn n SER 53 N -2.69 4.96 -4.12 1.44 2.88 -1.26 -4.82 113.62 110.01 1mfn n SER 53 Ca 0.04 -2.70 -0.34 0.00 -1.33 0.00 0.00 58.87 54.54 1mfn n SER 53 Cb 0.42 -0.60 -0.13 0.00 -0.75 0.00 0.00 64.21 63.15 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 -2.31 2.09 0.00 -1.46 1.81 -1.15 -4.92 118.95 113.01 1mfn s ARG 54 Ca 0.50 -1.58 0.26 0.00 -1.72 0.00 0.00 55.73 53.20 1mfn s ARG 54 Cb 0.36 -3.30 0.76 0.00 -0.45 0.00 0.00 34.95 32.32 1mfn s ARG 54 CO 0.19 -0.83 1.57 0.27 -0.68 0.00 0.00 175.30 175.82 1mfn n ASN 55 N 4.53 0.83 -4.20 0.23 6.94 -1.26 -4.77 115.26 117.56 1mfn n ASN 55 Ca -0.06 -0.69 -0.24 0.00 -0.02 0.00 0.00 54.58 53.57 1mfn n ASN 55 Cb 0.42 0.13 -0.15 0.00 -2.36 0.00 0.00 39.78 37.82 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 -2.62 2.17 -0.02 0.53 1.04 -1.26 -0.49 113.70 113.06 1mfn s SER 56 Ca 0.22 -0.42 0.01 0.00 0.48 0.00 0.00 55.95 56.24 1mfn s SER 56 Cb 0.19 -0.20 0.01 0.00 0.10 0.00 0.00 66.02 66.12 1mfn s SER 56 CO 0.55 0.17 -0.02 -0.51 0.98 0.00 0.00 173.24 174.41 1mfn s ILE 57 N -0.63 0.27 -0.21 -1.02 2.07 0.37 -4.91 121.20 117.13 1mfn s ILE 57 Ca 0.06 -0.05 -0.14 0.00 -1.41 0.00 0.00 60.65 59.11 1mfn s ILE 57 Cb -0.08 -0.29 -0.04 0.00 0.13 0.00 0.00 42.46 42.18 1mfn s ILE 57 CO 0.01 0.12 0.30 -0.89 -1.91 0.00 0.00 174.94 172.57 1mfn s THR 58 N 0.47 5.27 -0.07 4.00 2.01 -1.26 0.15 115.64 126.21 1mfn s THR 58 Ca -0.05 0.50 -0.03 0.00 0.31 0.00 0.00 61.69 62.41 1mfn s THR 58 Cb -0.08 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 1mfn s THR 58 CO -0.01 0.30 0.09 -0.76 -0.69 0.00 0.00 174.62 173.55 1mfn s LEU 59 N 1.16 4.04 0.21 4.42 1.43 -0.85 -4.95 118.68 124.14 1mfn s LEU 59 Ca 0.14 0.28 0.10 0.00 -1.03 0.00 0.00 54.13 53.63 1mfn s LEU 59 Cb -0.14 -2.13 -0.05 0.00 0.03 0.00 0.00 46.19 43.91 1mfn s LEU 59 CO 0.06 0.35 -0.20 0.42 0.23 0.00 0.00 176.35 177.21 1mfn s THR 60 N -1.07 2.14 -0.39 5.49 -4.23 -1.26 -1.91 115.64 114.41 1mfn s THR 60 Ca 0.18 -2.11 -0.14 0.00 -1.18 0.00 0.00 61.69 58.44 1mfn s THR 60 Cb -0.12 -2.07 0.02 0.00 1.34 0.00 0.00 72.50 71.67 1mfn s THR 60 CO 0.08 -0.31 0.53 0.59 -0.54 0.00 0.00 174.62 174.98 1mfn n ASN 61 N -0.02 -7.29 -3.82 3.99 3.02 -0.43 -4.89 115.26 105.81 1mfn n ASN 61 Ca -0.10 0.47 -0.12 0.00 -0.03 0.00 0.00 54.58 54.79 1mfn n ASN 61 Cb 0.58 -4.91 -0.13 0.00 -0.61 0.00 0.00 39.78 34.71 1mfn n ASN 61 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1mfn s LEU 62 N -2.45 1.46 0.15 3.41 1.43 -1.07 -4.90 118.68 116.71 1mfn s LEU 62 Ca 0.22 0.24 -0.32 0.00 -1.03 0.00 0.00 54.13 53.23 1mfn s LEU 62 Cb -0.06 0.39 -0.17 0.00 0.03 0.00 0.00 46.19 46.38 1mfn s LEU 62 CO 0.68 -0.05 0.85 0.59 0.23 0.00 0.00 176.35 178.65 1mfn n ASN 63 N 3.15 -0.15 -4.72 2.29 4.13 -1.26 -3.69 115.26 115.02 1mfn n ASN 63 Ca -0.14 1.14 -0.42 0.00 1.68 0.00 0.00 54.58 56.85 1mfn n ASN 63 Cb 0.58 -1.03 -0.03 0.00 -1.54 0.00 0.00 39.78 37.76 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 -0.63 4.58 -0.76 3.52 0.04 -1.02 -4.02 135.00 136.71 1mfn s PRO 64 Ca 0.73 1.48 -0.03 0.00 0.04 0.00 0.00 61.00 63.22 1mfn s PRO 64 Cb -0.99 -3.42 -0.03 0.00 0.04 0.00 0.00 34.50 30.10 1mfn s PRO 64 CO 0.56 0.00 0.69 0.41 0.04 0.00 0.00 177.00 178.69 1mfn n GLY 65 N 2.73 -0.92 3.42 0.56 0.00 0.86 -4.87 105.19 106.97 1mfn n GLY 65 Ca 0.05 0.40 -0.16 0.00 0.00 0.00 0.00 46.02 46.32 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 -3.19 0.02 -0.17 2.61 2.01 -1.05 -4.86 115.64 111.01 1mfn s THR 66 Ca 0.22 -0.17 -0.24 0.00 0.31 0.00 0.00 61.69 61.80 1mfn s THR 66 Cb -0.03 -0.91 -0.02 0.00 0.01 0.00 0.00 72.50 71.55 1mfn s THR 66 CO 0.62 -0.10 0.79 -1.83 -0.69 0.00 0.00 174.62 173.41 1mfn s GLU 67 N -1.67 4.29 -0.11 4.92 -1.05 -1.26 0.19 118.70 124.00 1mfn s GLU 67 Ca -0.09 0.94 -0.01 0.00 -0.15 0.00 0.00 54.97 55.65 1mfn s GLU 67 Cb -0.01 -3.57 -0.02 0.00 -0.44 0.00 0.00 34.13 30.08 1mfn s GLU 67 CO 0.05 -0.29 -0.08 0.71 0.95 0.00 0.00 175.26 176.59 1mfn s TYR 68 N 2.04 2.91 -0.49 4.83 2.02 -0.68 -3.89 117.35 124.09 1mfn s TYR 68 Ca 0.36 -0.28 -0.22 0.00 -0.37 0.00 0.00 57.07 56.56 1mfn s TYR 68 Cb -0.16 -1.83 0.04 0.00 -0.40 0.00 0.00 41.96 39.61 1mfn s TYR 68 CO 0.12 0.05 0.79 0.08 -1.57 0.00 0.00 175.55 175.02 1mfn s VAL 69 N -0.09 4.62 -0.19 0.71 1.01 0.62 -2.05 120.40 125.04 1mfn s VAL 69 Ca 0.00 0.18 -0.08 0.00 0.00 0.00 0.00 61.98 62.08 1mfn s VAL 69 Cb -0.13 -4.38 -0.04 0.00 0.00 0.00 0.00 36.38 31.83 1mfn s VAL 69 CO 0.03 -0.85 0.07 -0.69 0.00 0.00 0.00 175.10 173.66 1mfn s VAL 70 N 3.34 4.81 0.01 2.92 1.01 -0.71 -0.79 120.40 130.98 1mfn s VAL 70 Ca 0.27 -0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.20 1mfn s VAL 70 Cb -0.14 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1mfn s VAL 70 CO 0.19 0.45 0.19 -0.94 0.00 0.00 0.00 175.10 174.99 1mfn s SER 71 N 0.43 6.36 -0.37 3.32 1.04 0.20 -0.78 113.70 123.88 1mfn s SER 71 Ca 0.03 0.33 0.01 0.00 0.48 0.00 0.00 55.95 56.80 1mfn s SER 71 Cb -0.12 -1.99 0.12 0.00 0.10 0.00 0.00 66.02 64.13 1mfn s SER 71 CO 0.00 0.24 0.17 -0.63 0.98 0.00 0.00 173.24 174.01 1mfn s ILE 72 N -1.37 1.06 -0.02 -1.02 -1.09 0.03 -1.94 121.20 116.86 1mfn s ILE 72 Ca 0.29 -1.98 -0.18 0.00 -2.23 0.00 0.00 60.65 56.55 1mfn s ILE 72 Cb -0.13 -1.77 -0.05 0.00 -1.58 0.00 0.00 42.46 38.93 1mfn s ILE 72 CO 0.21 -0.81 0.52 -0.63 -1.23 0.00 0.00 174.94 173.00 1mfn s ILE 73 N 0.96 4.97 0.01 2.92 1.09 -0.79 -2.27 121.20 128.10 1mfn s ILE 73 Ca 0.14 1.08 -0.08 0.00 -1.10 0.00 0.00 60.65 60.70 1mfn s ILE 73 Cb -0.21 -3.85 -0.05 0.00 -1.06 0.00 0.00 42.46 37.29 1mfn s ILE 73 CO -0.10 0.46 0.29 0.00 -0.10 0.00 0.00 174.94 175.49 1mfn s ALA 74 N -0.37 3.82 -0.04 9.38 0.00 -1.26 -0.02 121.76 133.27 1mfn s ALA 74 Ca 0.28 -0.53 0.02 0.00 0.00 0.00 0.00 51.96 51.73 1mfn s ALA 74 Cb -0.17 -2.11 0.01 0.00 0.00 0.00 0.00 23.12 20.84 1mfn s ALA 74 CO 0.15 0.62 -0.10 0.14 0.00 0.00 0.00 175.76 176.58 1mfn s VAL 75 N -1.29 0.90 -0.44 0.00 -7.23 -1.17 -2.07 120.40 109.10 1mfn s VAL 75 Ca 0.28 -0.39 0.05 0.00 -1.81 0.00 0.00 61.98 60.10 1mfn s VAL 75 Cb -0.13 -0.82 0.43 0.00 0.56 0.00 0.00 36.38 36.42 1mfn s VAL 75 CO 0.16 0.29 1.31 -3.20 -0.31 0.00 0.00 175.10 173.35 1mfn n ASN 76 N 3.54 5.33 0.00 4.85 5.15 -0.36 -0.21 115.26 133.56 1mfn n ASN 76 Ca -0.21 -3.75 0.00 0.00 -0.60 0.00 0.00 54.58 50.02 1mfn n ASN 76 Cb 0.53 -0.52 0.00 0.00 -0.53 0.00 0.00 39.78 39.26 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 -0.62 2.32 0.23 8.20 0.00 -1.26 -3.44 105.19 110.63 1mfn n GLY 77 Ca 0.45 -0.08 0.06 0.00 0.00 0.00 0.00 46.02 46.45 1mfn n GLY 77 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1mfn n ARG 78 N 0.00 2.11 -4.13 1.61 0.00 -1.26 -4.98 116.66 110.01 1mfn n ARG 78 Ca 0.00 -0.55 -0.25 0.00 -0.00 0.00 0.00 57.85 57.04 1mfn n ARG 78 Cb 0.00 -1.16 -0.06 0.00 0.00 0.00 0.00 32.46 31.24 1mfn n ARG 78 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1mfn s GLU 79 N -1.74 2.75 -0.26 -0.14 2.56 -1.22 -5.10 118.70 115.55 1mfn s GLU 79 Ca 0.09 -0.99 -0.01 0.00 0.00 0.00 0.00 54.97 54.07 1mfn s GLU 79 Cb 0.10 -2.54 0.08 0.00 2.00 0.00 0.00 34.13 33.77 1mfn s GLU 79 CO 0.37 0.46 0.03 -1.21 -0.56 0.00 0.00 175.26 174.35 1mfn s GLU 80 N -3.21 1.02 1.38 4.30 2.02 -1.26 -1.22 118.70 121.73 1mfn s GLU 80 Ca 0.30 -0.93 -0.23 0.00 0.02 0.00 0.00 54.97 54.13 1mfn s GLU 80 Cb -0.09 -2.29 0.35 0.00 0.10 0.00 0.00 34.13 32.20 1mfn s GLU 80 CO 0.22 -0.78 0.96 0.45 0.02 0.00 0.00 175.26 176.14 1mfn n SER 81 N 4.81 -3.37 -4.83 -0.19 2.88 -0.88 -4.94 113.62 107.10 1mfn n SER 81 Ca -0.06 -1.00 -0.32 0.00 -1.33 0.00 0.00 58.87 56.16 1mfn n SER 81 Cb 0.44 -1.00 -0.01 0.00 -0.75 0.00 0.00 64.21 62.89 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 -5.25 3.59 0.17 -1.46 0.04 -1.26 -4.56 135.00 126.26 1mfn s PRO 82 Ca 0.69 1.02 -0.30 0.00 0.04 0.00 0.00 61.00 62.45 1mfn s PRO 82 Cb -0.10 -2.08 -0.07 0.00 0.04 0.00 0.00 34.50 32.29 1mfn s PRO 82 CO 0.56 -0.58 1.02 -1.25 0.04 0.00 0.00 177.00 176.80 1mfn s PRO 83 N -4.30 4.67 -0.49 0.56 0.04 -1.26 -4.17 135.00 130.04 1mfn s PRO 83 Ca 0.60 1.59 0.02 0.00 0.04 0.00 0.00 61.00 63.25 1mfn s PRO 83 Cb -0.13 -3.31 0.13 0.00 0.04 0.00 0.00 34.50 31.23 1mfn s PRO 83 CO 0.38 0.20 0.25 -1.17 0.04 0.00 0.00 177.00 176.70 1mfn s LEU 84 N -0.39 4.70 -0.02 -3.56 2.96 -0.96 -4.94 118.68 116.46 1mfn s LEU 84 Ca 0.47 -2.70 -0.10 0.00 -0.22 0.00 0.00 54.13 51.57 1mfn s LEU 84 Cb -0.27 -1.70 -0.05 0.00 0.50 0.00 0.00 46.19 44.67 1mfn s LEU 84 CO 0.33 -0.32 0.30 -0.63 -1.32 0.00 0.00 176.35 174.71 1mfn s ILE 85 N 0.15 5.22 0.33 6.68 1.01 -1.26 -0.79 121.20 132.55 1mfn s ILE 85 Ca 0.15 0.50 0.03 0.00 0.00 0.00 0.00 60.65 61.33 1mfn s ILE 85 Cb -0.23 -3.59 -0.01 0.00 0.01 0.00 0.00 42.46 38.64 1mfn s ILE 85 CO -0.03 0.52 0.12 0.61 0.00 0.00 0.00 174.94 176.16 1mfn n GLY 86 N 1.64 3.41 2.73 6.18 0.00 0.04 -4.96 105.19 114.24 1mfn n GLY 86 Ca -0.15 -2.08 -0.19 0.00 0.00 0.00 0.00 46.02 43.61 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 -3.26 0.29 0.00 1.61 -0.21 -1.26 -1.75 119.66 115.09 1mfn s GLN 87 Ca 0.16 -0.14 0.00 0.00 0.02 0.00 0.00 55.36 55.40 1mfn s GLN 87 Cb 0.01 -0.77 0.00 0.00 1.00 0.00 0.00 33.01 33.25 1mfn s GLN 87 CO 0.12 -0.98 0.00 1.04 -2.12 0.00 0.00 175.29 173.34 1mfn n GLN 88 N 5.31 2.60 -3.75 2.91 1.13 -0.87 -4.83 117.38 119.88 1mfn n GLN 88 Ca -0.03 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.90 1mfn n GLN 88 Cb 0.46 0.00 -0.14 0.00 0.11 0.00 0.00 30.24 30.67 1mfn n GLN 88 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1mfn s ALA 89 N -2.17 -0.38 0.26 -1.58 0.00 -1.26 -1.68 121.76 114.94 1mfn s ALA 89 Ca 0.00 0.77 -0.30 0.00 0.00 0.00 0.00 51.96 52.44 1mfn s ALA 89 Cb 0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 23.12 22.53 1mfn s ALA 89 CO 0.00 -0.16 1.11 0.95 0.00 0.00 0.00 175.76 177.65 1mfn s THR 90 N 1.11 3.54 1.02 0.00 -4.23 0.49 -4.82 115.64 112.75 1mfn s THR 90 Ca -0.08 1.50 -0.27 0.00 -1.18 0.00 0.00 61.69 61.66 1mfn s THR 90 Cb -0.10 -3.96 -0.16 0.00 1.34 0.00 0.00 72.50 69.63 1mfn s THR 90 CO -0.06 0.34 -1.34 0.52 -0.54 0.00 0.00 174.62 173.53 1mfn n VAL 91 N 1.46 0.00 -3.90 2.29 0.31 -1.13 -2.29 118.33 115.07 1mfn n VAL 91 Ca -0.00 -0.05 -0.23 0.00 -0.01 0.00 0.00 64.34 64.05 1mfn n VAL 91 Cb 0.45 -0.08 -0.05 0.00 -0.91 0.00 0.00 33.84 33.24 1mfn n VAL 91 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1mfn s SER 92 N -1.12 4.78 -0.07 4.52 1.04 -1.26 0.30 113.70 121.89 1mfn s SER 92 Ca 0.39 -0.83 0.03 0.00 0.48 0.00 0.00 55.95 56.01 1mfn s SER 92 Cb 0.07 -0.62 0.20 0.00 0.10 0.00 0.00 66.02 65.77 1mfn s SER 92 CO 0.66 -0.50 0.91 -0.67 0.98 0.00 0.00 173.24 174.62 1mfn n ASP 93 N -1.33 2.43 -4.42 7.02 2.03 -1.26 -4.18 116.55 116.84 1mfn n ASP 93 Ca -0.00 -2.27 -0.45 0.00 0.52 0.00 0.00 54.79 52.59 1mfn n ASP 93 Cb 0.62 -0.56 -0.02 0.00 -0.72 0.00 0.00 41.12 40.45 1mfn n ASP 93 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1mfn n ILE 94 N 0.14 1.69 -2.76 5.18 5.41 -1.26 -4.78 119.36 122.99 1mfn n ILE 94 Ca 0.09 -0.50 -0.43 0.00 1.00 0.00 0.00 62.75 62.91 1mfn n ILE 94 Cb 0.56 -0.27 -0.03 0.00 -0.71 0.00 0.00 39.64 39.19 1mfn n ILE 94 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1mfn s PRO 95 N -1.20 3.82 0.14 0.38 0.04 -1.26 -4.32 135.00 132.59 1mfn s PRO 95 Ca 0.62 0.60 0.05 0.00 0.04 0.00 0.00 61.00 62.30 1mfn s PRO 95 Cb -0.77 -3.82 -0.04 0.00 0.04 0.00 0.00 34.50 29.91 1mfn s PRO 95 CO 0.58 -1.03 0.10 -0.98 0.04 0.00 0.00 177.00 175.72 1mfn s ARG 96 N 3.66 2.83 -0.30 4.56 1.70 -1.23 -4.49 118.95 125.68 1mfn s ARG 96 Ca 0.40 -0.84 0.00 0.00 -0.47 0.00 0.00 55.73 54.82 1mfn s ARG 96 Cb -0.11 -2.63 0.00 0.00 -0.57 0.00 0.00 34.95 31.64 1mfn s ARG 96 CO 0.21 0.50 0.00 -3.47 -1.08 0.00 0.00 175.30 171.46 1mfn n ASP 97 N -0.08 -2.43 -4.55 -2.89 -0.08 -1.26 0.26 116.55 105.52 1mfn n ASP 97 Ca -0.09 0.03 -0.37 0.00 -1.51 0.00 0.00 54.79 52.85 1mfn n ASP 97 Cb 0.54 -1.17 -0.03 0.00 2.34 0.00 0.00 41.12 42.80 1mfn n ASP 97 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1mfn s LEU 98 N -0.83 3.36 0.33 -2.67 2.96 -1.26 -3.76 118.68 116.81 1mfn s LEU 98 Ca 0.00 0.82 0.04 0.00 -0.22 0.00 0.00 54.13 54.77 1mfn s LEU 98 Cb 0.00 -2.56 -0.06 0.00 0.50 0.00 0.00 46.19 44.07 1mfn s LEU 98 CO 0.00 -2.65 0.06 -1.83 -1.32 0.00 0.00 176.35 170.61 1mfn s GLU 99 N 7.70 1.65 0.46 1.98 -1.05 -0.79 -4.84 118.70 123.82 1mfn s GLU 99 Ca 0.86 -1.92 0.07 0.00 -0.15 0.00 0.00 54.97 53.83 1mfn s GLU 99 Cb -0.16 -0.85 -0.01 0.00 -0.44 0.00 0.00 34.13 32.67 1mfn s GLU 99 CO 0.24 -0.19 0.35 0.54 0.95 0.00 0.00 175.26 177.15 1mfn s VAL 100 N -3.30 2.27 0.00 1.83 0.11 -1.26 -0.65 120.40 119.40 1mfn s VAL 100 Ca 0.36 -1.46 0.00 0.00 -2.93 0.00 0.00 61.98 57.95 1mfn s VAL 100 Cb 0.09 -2.73 0.00 0.00 -1.53 0.00 0.00 36.38 32.20 1mfn s VAL 100 CO 0.15 0.00 0.00 2.30 -3.33 0.00 0.00 175.10 174.22 1mfn n ILE 101 N -1.55 0.00 -2.30 7.04 -5.35 -0.19 -4.87 119.36 112.14 1mfn n ILE 101 Ca 0.01 0.00 -0.40 0.00 -0.27 0.00 0.00 62.75 62.09 1mfn n ILE 101 Cb 0.63 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.50 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 -1.49 2.57 -0.84 -1.28 0.00 -1.26 -4.82 121.76 114.64 1mfn s ALA 102 Ca 0.00 -0.86 -0.14 0.00 0.00 0.00 0.00 51.96 50.96 1mfn s ALA 102 Cb 0.00 -4.22 0.21 0.00 0.00 0.00 0.00 23.12 19.11 1mfn s ALA 102 CO 0.00 -3.38 0.80 -1.54 0.00 0.00 0.00 175.76 171.64 1mfn s SER 103 N 5.57 6.75 0.79 0.00 1.04 -1.26 -1.08 113.70 125.50 1mfn s SER 103 Ca 0.53 -2.62 -0.12 0.00 0.48 0.00 0.00 55.95 54.22 1mfn s SER 103 Cb -0.11 -2.23 0.07 0.00 0.10 0.00 0.00 66.02 63.85 1mfn s SER 103 CO 0.21 -0.62 1.11 0.42 0.98 0.00 0.00 173.24 175.33 1mfn s THR 104 N 0.42 2.96 -1.72 2.02 -4.23 0.50 -4.90 115.64 110.69 1mfn s THR 104 Ca 0.19 0.31 0.15 0.00 -1.18 0.00 0.00 61.69 61.16 1mfn s THR 104 Cb -0.10 -3.13 0.34 0.00 1.34 0.00 0.00 72.50 70.95 1mfn s THR 104 CO -0.09 -0.41 1.35 -0.81 -0.54 0.00 0.00 174.62 174.12 1mfn n PRO 105 N -3.37 0.34 -0.37 3.99 -0.04 -1.26 -2.74 135.00 131.54 1mfn n PRO 105 Ca 0.07 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1mfn n PRO 105 Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 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 -3.53 0.52 -2.24 -1.26 -4.38 114.28 102.25 1mfn n THR 106 Ca 0.09 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.79 1mfn n THR 106 Cb 0.08 0.29 -0.02 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 -0.35 -0.32 0.04 3.42 1.04 -1.11 -2.70 113.70 113.72 1mfn s SER 107 Ca 0.00 0.03 -0.06 0.00 0.48 0.00 0.00 55.95 56.40 1mfn s SER 107 Cb 0.00 0.33 -0.01 0.00 0.10 0.00 0.00 66.02 66.44 1mfn s SER 107 CO 0.00 -0.52 0.10 -0.76 0.98 0.00 0.00 173.24 173.04 1mfn s LEU 108 N -2.32 1.78 -0.15 2.42 1.43 -0.48 0.19 118.68 121.54 1mfn s LEU 108 Ca 0.05 -0.52 -0.05 0.00 -1.03 0.00 0.00 54.13 52.59 1mfn s LEU 108 Cb -0.01 0.62 -0.04 0.00 0.03 0.00 0.00 46.19 46.79 1mfn s LEU 108 CO -0.07 -0.51 0.03 -0.76 0.23 0.00 0.00 176.35 175.27 1mfn s LEU 109 N -2.10 3.65 0.03 1.79 1.02 -0.24 -1.33 118.68 121.50 1mfn s LEU 109 Ca -0.05 0.07 0.07 0.00 0.02 0.00 0.00 54.13 54.23 1mfn s LEU 109 Cb -0.01 -1.89 -0.03 0.00 0.02 0.00 0.00 46.19 44.27 1mfn s LEU 109 CO -0.04 0.24 -0.17 0.27 0.02 0.00 0.00 176.35 176.66 1mfn s ILE 110 N -0.02 2.86 -0.07 -0.59 -4.36 -0.02 -1.02 121.20 117.98 1mfn s ILE 110 Ca 0.04 -1.12 -0.03 0.00 -0.26 0.00 0.00 60.65 59.28 1mfn s ILE 110 Cb -0.13 -2.20 0.04 0.00 1.25 0.00 0.00 42.46 41.42 1mfn s ILE 110 CO 0.02 0.36 0.15 -0.55 0.24 0.00 0.00 174.94 175.15 1mfn s SER 111 N -1.38 0.20 0.39 4.36 0.15 0.17 0.34 113.70 117.93 1mfn s SER 111 Ca 0.15 0.30 0.05 0.00 0.70 0.00 0.00 55.95 57.15 1mfn s SER 111 Cb -0.11 0.20 -0.06 0.00 -1.71 0.00 0.00 66.02 64.34 1mfn s SER 111 CO 0.05 -0.18 0.03 -1.66 1.20 0.00 0.00 173.24 172.68 1mfn s TRP 112 N 1.56 2.22 0.44 3.44 -2.14 -0.80 -1.88 118.94 121.78 1mfn s TRP 112 Ca -0.05 -0.83 0.02 0.00 2.66 0.00 0.00 56.10 57.90 1mfn s TRP 112 Cb -0.12 -1.56 -0.00 0.00 -3.10 0.00 0.00 33.47 28.69 1mfn s TRP 112 CO -0.06 0.23 0.64 -1.21 -2.66 0.00 0.00 176.95 173.89 1mfn s GLU 113 N -3.79 3.01 -0.04 3.25 0.41 0.74 -4.83 118.70 117.45 1mfn s GLU 113 Ca 0.32 -0.65 -0.30 0.00 -0.41 0.00 0.00 54.97 53.93 1mfn s GLU 113 Cb 0.08 -2.61 -0.03 0.00 -1.78 0.00 0.00 34.13 29.79 1mfn s GLU 113 CO 0.15 -0.25 1.07 -1.25 -0.49 0.00 0.00 175.26 174.49 1mfn s PRO 114 N -4.49 4.45 0.00 0.39 0.04 -1.26 -3.56 135.00 130.56 1mfn s PRO 114 Ca 0.49 1.51 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1mfn s PRO 114 Cb -0.10 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 30.95 1mfn s PRO 114 CO 0.36 -0.26 0.00 -0.35 0.04 0.00 0.00 177.00 176.80 1mfn n PRO 115 N 4.57 2.31 0.00 0.56 -0.04 -1.26 -4.82 135.00 136.33 1mfn n PRO 115 Ca 0.08 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.62 1mfn n PRO 115 Cb 0.49 0.00 0.41 0.00 -0.04 0.00 0.00 33.50 34.35 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 1.98 -3.00 0.55 0.00 -1.26 -4.79 120.51 110.99 1mfn n ALA 116 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1mfn n ALA 116 Cb 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1mfn n ALA 116 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1mfn n VAL 117 N -1.07 0.00 -2.22 0.00 0.24 -1.26 -4.19 118.33 109.83 1mfn n VAL 117 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 1mfn n VAL 117 Cb 0.06 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.43 1mfn n VAL 117 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1mfn n SER 118 N -0.61 0.00 -3.75 -1.34 7.64 -1.26 -4.88 113.62 109.41 1mfn n SER 118 Ca 0.00 -0.45 -0.15 0.00 1.01 0.00 0.00 58.87 59.28 1mfn n SER 118 Cb 0.00 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.05 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 1.32 -0.06 -0.07 0.44 1.01 -1.26 -4.83 120.40 116.94 1mfn s VAL 119 Ca 0.00 0.22 -0.27 0.00 0.00 0.00 0.00 61.98 61.93 1mfn s VAL 119 Cb 0.00 -0.15 -0.23 0.00 0.00 0.00 0.00 36.38 36.00 1mfn s VAL 119 CO 0.00 0.09 1.03 -0.09 0.00 0.00 0.00 175.10 176.13 1mfn h ARG 120 N 7.36 0.04 -2.66 2.72 1.12 -1.45 -3.44 114.38 118.06 1mfn h ARG 120 Ca -0.43 -0.04 0.11 0.00 -1.11 0.00 0.00 59.98 58.52 1mfn h ARG 120 Cb 1.13 0.01 -0.05 0.00 -0.01 0.00 0.00 29.97 31.05 1mfn h ARG 120 CO 0.43 0.78 0.40 1.52 -3.11 0.00 0.00 179.97 179.99 1mfn s TYR 121 N -3.26 -0.07 0.05 2.20 1.13 -0.65 -3.01 117.35 113.76 1mfn s TYR 121 Ca -0.17 -0.36 0.03 0.00 -1.41 0.00 0.00 57.07 55.15 1mfn s TYR 121 Cb -0.00 0.71 -0.03 0.00 -1.10 0.00 0.00 41.96 41.54 1mfn s TYR 121 CO 0.70 -1.09 -0.09 0.71 -2.51 0.00 0.00 175.55 173.27 1mfn s TYR 122 N -3.09 0.78 -0.62 -3.49 1.51 -1.05 0.50 117.35 111.90 1mfn s TYR 122 Ca 0.14 -0.51 -0.06 0.00 -1.01 0.00 0.00 57.07 55.64 1mfn s TYR 122 Cb -0.03 -0.46 0.16 0.00 -0.11 0.00 0.00 41.96 41.52 1mfn s TYR 122 CO 0.06 -0.06 0.47 1.03 -1.11 0.00 0.00 175.55 175.93 1mfn s ARG 123 N -1.69 2.69 0.61 -0.62 0.52 -0.96 0.15 118.95 119.66 1mfn s ARG 123 Ca -0.08 -2.35 -0.08 0.00 -0.52 0.00 0.00 55.73 52.71 1mfn s ARG 123 Cb -0.09 -3.88 0.00 0.00 0.52 0.00 0.00 34.95 31.50 1mfn s ARG 123 CO 0.01 -1.19 0.95 0.42 0.02 0.00 0.00 175.30 175.51 1mfn s ILE 124 N 0.29 3.82 -0.07 1.52 1.01 0.32 0.12 121.20 128.22 1mfn s ILE 124 Ca 0.15 0.22 -0.07 0.00 0.00 0.00 0.00 60.65 60.95 1mfn s ILE 124 Cb -0.19 -3.54 0.02 0.00 0.01 0.00 0.00 42.46 38.76 1mfn s ILE 124 CO -0.04 -0.60 0.19 0.42 0.00 0.00 0.00 174.94 174.91 1mfn s THR 125 N -3.08 0.01 0.07 2.92 -4.23 0.55 -0.33 115.64 111.55 1mfn s THR 125 Ca 0.54 -0.06 -0.28 0.00 -1.18 0.00 0.00 61.69 60.72 1mfn s THR 125 Cb -0.11 -0.29 -0.05 0.00 1.34 0.00 0.00 72.50 73.39 1mfn s THR 125 CO 0.48 -0.03 0.88 -0.31 -0.54 0.00 0.00 174.62 175.09 1mfn s TYR 126 N -0.02 3.77 -0.21 3.99 1.51 0.47 -2.29 117.35 124.57 1mfn s TYR 126 Ca -0.01 1.65 -0.07 0.00 -1.01 0.00 0.00 57.07 57.63 1mfn s TYR 126 Cb -0.02 -2.96 -0.03 0.00 -0.11 0.00 0.00 41.96 38.84 1mfn s TYR 126 CO 0.00 0.22 0.05 0.20 -1.11 0.00 0.00 175.55 174.91 1mfn s GLY 127 N 0.05 1.80 0.06 0.71 0.00 0.53 -2.66 107.32 107.81 1mfn s GLY 127 Ca 0.44 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 44.22 1mfn s GLY 127 CO 0.27 0.28 0.08 -0.54 0.00 0.00 0.00 173.10 173.18 1mfn s GLU 128 N 1.00 2.94 0.00 2.90 2.02 -1.26 0.19 118.70 126.49 1mfn s GLU 128 Ca 0.03 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.39 1mfn s GLU 128 Cb -0.14 -2.77 0.00 0.00 0.10 0.00 0.00 34.13 31.32 1mfn s GLU 128 CO 0.03 0.59 0.00 0.25 0.02 0.00 0.00 175.26 176.15 1mfn n THR 129 N 0.66 0.00 0.00 3.63 -2.24 -0.60 -4.74 114.28 110.99 1mfn n THR 129 Ca -0.10 0.35 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 1mfn n THR 129 Cb 0.52 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 1mfn n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mfn n GLY 130 N 0.00 2.20 1.98 3.38 0.00 -1.26 -4.94 105.19 106.55 1mfn n GLY 130 Ca 0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 46.02 45.62 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 0.17 0.13 2.00 -0.02 0.00 -1.26 0.37 105.19 106.58 1mfn n GLY 131 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1mfn n GLY 131 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mfn n ASN 132 N -0.69 -3.32 -4.77 1.61 2.85 -1.26 -4.88 115.26 104.80 1mfn n ASN 132 Ca -0.08 0.30 -0.36 0.00 -0.11 0.00 0.00 54.58 54.33 1mfn n ASN 132 Cb 0.39 -3.10 -0.01 0.00 1.24 0.00 0.00 39.78 38.30 1mfn n ASN 132 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1mfn s SER 133 N -2.05 5.93 0.22 1.20 0.15 0.16 -5.04 113.70 114.27 1mfn s SER 133 Ca 0.00 2.19 0.00 0.00 0.70 0.00 0.00 55.95 58.84 1mfn s SER 133 Cb 0.00 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1mfn s SER 133 CO 0.00 -1.08 0.00 -0.81 1.20 0.00 0.00 173.24 172.55 1mfn n PRO 134 N -1.01 0.73 -4.45 5.44 -0.04 -1.26 -4.90 135.00 129.52 1mfn n PRO 134 Ca 0.10 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.31 1mfn n PRO 134 Cb 0.50 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.85 1mfn n PRO 134 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1mfn s VAL 135 N -0.22 2.40 -0.41 0.52 1.01 -1.26 -4.53 120.40 117.91 1mfn s VAL 135 Ca 0.00 -2.25 -0.03 0.00 0.00 0.00 0.00 61.98 59.70 1mfn s VAL 135 Cb 0.00 -2.22 0.11 0.00 0.00 0.00 0.00 36.38 34.27 1mfn s VAL 135 CO 0.00 -0.29 0.21 -1.58 0.00 0.00 0.00 175.10 173.43 1mfn s GLN 136 N -3.17 2.06 0.27 2.72 0.74 -1.09 -4.85 119.66 116.34 1mfn s GLN 136 Ca 0.26 -1.79 -0.05 0.00 0.05 0.00 0.00 55.36 53.83 1mfn s GLN 136 Cb -0.06 -3.60 -0.05 0.00 1.10 0.00 0.00 33.01 30.40 1mfn s GLN 136 CO 0.13 -1.06 0.53 -1.83 -0.55 0.00 0.00 175.29 172.50 1mfn s GLU 137 N 1.17 3.63 -0.15 1.67 -1.05 -1.26 0.18 118.70 122.89 1mfn s GLU 137 Ca 0.07 -0.01 -0.29 0.00 -0.15 0.00 0.00 54.97 54.59 1mfn s GLU 137 Cb -0.23 -2.68 0.10 0.00 -0.44 0.00 0.00 34.13 30.88 1mfn s GLU 137 CO -0.04 0.26 0.86 -0.59 0.95 0.00 0.00 175.26 176.70 1mfn s PHE 138 N -2.02 -0.53 0.76 4.83 -0.71 0.55 -4.94 117.98 115.92 1mfn s PHE 138 Ca 0.43 1.02 -0.13 0.00 -1.04 0.00 0.00 56.93 57.22 1mfn s PHE 138 Cb -0.11 0.40 0.18 0.00 -1.21 0.00 0.00 43.02 42.29 1mfn s PHE 138 CO 0.29 -0.42 0.80 0.25 -1.34 0.00 0.00 175.22 174.80 1mfn n THR 139 N 1.23 0.00 -3.78 -4.49 -2.24 -1.26 -0.52 114.28 103.21 1mfn n THR 139 Ca -0.14 -0.46 -0.13 0.00 -2.27 0.00 0.00 64.05 61.06 1mfn n THR 139 Cb 0.57 -1.36 -0.12 0.00 -2.10 0.00 0.00 70.33 67.32 1mfn n THR 139 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1mfn s VAL 140 N -2.58 -0.00 -0.01 2.28 1.01 0.39 -4.56 120.40 116.92 1mfn s VAL 140 Ca 0.49 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 62.18 1mfn s VAL 140 Cb -0.03 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 1mfn s VAL 140 CO 0.36 0.01 1.11 -2.16 0.00 0.00 0.00 175.10 174.42 1mfn s PRO 141 N 0.23 4.44 -0.18 2.72 0.04 -1.26 -2.53 135.00 138.46 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 -3.47 -0.24 0.00 0.04 0.00 0.00 34.50 30.81 1mfn s PRO 141 CO -0.01 -0.27 3.46 0.41 0.04 0.00 0.00 177.00 180.64 1mfn n GLY 142 N 3.16 3.08 0.49 0.56 0.00 -1.16 -4.04 105.19 107.28 1mfn n GLY 142 Ca 0.09 -1.21 0.09 0.00 0.00 0.00 0.00 46.02 44.99 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 2.64 1.93 -3.48 1.61 2.88 -1.26 -4.97 113.62 112.98 1mfn n SER 143 Ca 0.46 -1.47 -0.05 0.00 -1.33 0.00 0.00 58.87 56.48 1mfn n SER 143 Cb 0.81 0.34 0.00 0.00 -0.75 0.00 0.00 64.21 64.62 1mfn n SER 143 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1mfn s LYS 144 N -1.87 1.49 0.00 -1.46 1.02 -1.26 -5.02 119.74 112.64 1mfn s LYS 144 Ca 0.16 -0.90 0.22 0.00 0.02 0.00 0.00 55.97 55.47 1mfn s LYS 144 Cb 0.14 0.46 0.63 0.00 -0.52 0.00 0.00 37.83 38.54 1mfn s LYS 144 CO 0.38 -0.69 1.49 -1.13 -0.92 0.00 0.00 175.35 174.48 1mfn n SER 145 N -0.90 2.26 -4.46 2.83 3.41 -1.26 -4.89 113.62 110.61 1mfn n SER 145 Ca -0.05 -1.81 -0.26 0.00 -0.26 0.00 0.00 58.87 56.49 1mfn n SER 145 Cb 0.60 -0.14 -0.11 0.00 -0.26 0.00 0.00 64.21 64.30 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 -1.71 2.52 0.19 6.66 -4.23 -1.26 -1.91 115.64 115.89 1mfn s THR 146 Ca 0.34 -2.07 0.05 0.00 -1.18 0.00 0.00 61.69 58.83 1mfn s THR 146 Cb 0.19 -2.24 -0.05 0.00 1.34 0.00 0.00 72.50 71.74 1mfn s THR 146 CO 0.28 -0.19 -0.10 0.00 -0.54 0.00 0.00 174.62 174.08 1mfn s ALA 147 N -1.89 1.74 0.15 3.99 0.00 0.15 -4.93 121.76 120.97 1mfn s ALA 147 Ca 0.24 -1.61 0.05 0.00 0.00 0.00 0.00 51.96 50.64 1mfn s ALA 147 Cb -0.07 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 1mfn s ALA 147 CO 0.12 -0.07 0.07 0.99 0.00 0.00 0.00 175.76 176.87 1mfn s THR 148 N -3.21 4.19 -0.09 0.00 2.01 -1.26 -0.84 115.64 116.43 1mfn s THR 148 Ca 0.21 -1.14 -0.01 0.00 0.31 0.00 0.00 61.69 61.06 1mfn s THR 148 Cb 0.02 -3.10 0.03 0.00 0.01 0.00 0.00 72.50 69.47 1mfn s THR 148 CO 0.04 -0.05 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.29 1mfn s ILE 149 N -1.64 0.48 0.41 1.82 -1.09 -0.45 -4.95 121.20 115.77 1mfn s ILE 149 Ca 0.29 0.00 0.04 0.00 -2.23 0.00 0.00 60.65 58.75 1mfn s ILE 149 Cb -0.10 -0.65 -0.05 0.00 -1.58 0.00 0.00 42.46 40.08 1mfn s ILE 149 CO 0.21 0.23 0.05 0.20 -1.23 0.00 0.00 174.94 174.40 1mfn s ASN 150 N 1.93 3.23 -1.39 3.58 0.01 -1.26 -1.39 114.94 119.65 1mfn s ASN 150 Ca 0.04 -1.51 -0.03 0.00 -0.71 0.00 0.00 52.86 50.66 1mfn s ASN 150 Cb -0.13 0.12 0.00 0.00 0.41 0.00 0.00 41.25 41.66 1mfn s ASN 150 CO -0.06 -0.70 0.40 0.59 -1.51 0.00 0.00 177.10 175.82 1mfn n ASN 151 N -1.03 -5.44 -4.85 -1.22 5.03 -1.10 -4.94 115.26 101.71 1mfn n ASN 151 Ca -0.08 -0.19 -0.34 0.00 0.87 0.00 0.00 54.58 54.85 1mfn n ASN 151 Cb 0.66 -4.33 -0.06 0.00 -1.02 0.00 0.00 39.78 35.03 1mfn n ASN 151 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1mfn s ILE 152 N -3.04 4.83 -0.38 2.41 2.07 -1.13 -5.03 121.20 120.93 1mfn s ILE 152 Ca 0.20 0.75 -0.27 0.00 -1.41 0.00 0.00 60.65 59.92 1mfn s ILE 152 Cb -0.09 -3.68 0.02 0.00 0.13 0.00 0.00 42.46 38.84 1mfn s ILE 152 CO 0.24 0.05 0.99 -0.54 -1.91 0.00 0.00 174.94 173.77 1mfn s LYS 153 N -2.46 3.85 0.38 3.50 1.02 -1.26 -4.73 119.74 120.05 1mfn s LYS 153 Ca 0.45 0.65 -0.24 0.00 0.02 0.00 0.00 55.97 56.85 1mfn s LYS 153 Cb -0.13 -3.81 -0.10 0.00 -0.52 0.00 0.00 37.83 33.27 1mfn s LYS 153 CO 0.20 -1.02 0.99 -1.25 -0.92 0.00 0.00 175.35 173.34 1mfn s PRO 154 N 3.68 4.31 -0.08 -1.68 0.04 -1.26 -4.41 135.00 135.60 1mfn s PRO 154 Ca 0.41 1.34 -0.00 0.00 0.04 0.00 0.00 61.00 62.79 1mfn s PRO 154 Cb -0.11 -2.52 -0.00 0.00 0.04 0.00 0.00 34.50 31.90 1mfn s PRO 154 CO 0.20 0.02 0.07 0.41 0.04 0.00 0.00 177.00 177.75 1mfn n GLY 155 N 0.15 0.14 0.00 0.56 0.00 -1.20 -5.02 105.19 99.81 1mfn n GLY 155 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.35 0.00 -0.89 4.61 0.00 -0.30 -4.95 120.51 117.63 1mfn n ALA 156 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.09 1mfn n ALA 156 Cb 0.51 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.04 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 -3.96 -3.46 0.00 2.03 -1.26 -2.14 116.55 107.77 1mfn n ASP 157 Ca 0.00 0.24 -0.17 0.00 0.52 0.00 0.00 54.79 55.37 1mfn n ASP 157 Cb 0.00 -0.97 -0.08 0.00 -0.72 0.00 0.00 41.12 39.35 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 -2.20 1.53 -0.23 -0.67 1.51 -0.28 -1.55 117.35 115.46 1mfn s TYR 158 Ca 0.48 -1.55 -0.03 0.00 -1.01 0.00 0.00 57.07 54.97 1mfn s TYR 158 Cb -0.19 -0.57 0.11 0.00 -0.11 0.00 0.00 41.96 41.21 1mfn s TYR 158 CO 0.75 -0.89 0.26 0.99 -1.11 0.00 0.00 175.55 175.54 1mfn s THR 159 N -3.48 -0.38 -0.39 -0.71 2.01 0.13 -1.63 115.64 111.20 1mfn s THR 159 Ca 0.38 -0.18 -0.19 0.00 0.31 0.00 0.00 61.69 62.01 1mfn s THR 159 Cb 0.02 -0.76 0.01 0.00 0.01 0.00 0.00 72.50 71.78 1mfn s THR 159 CO 0.24 -0.25 0.53 -0.63 -0.69 0.00 0.00 174.62 173.83 1mfn s ILE 160 N 2.36 4.98 0.10 1.82 -1.09 -0.54 0.20 121.20 129.02 1mfn s ILE 160 Ca 0.08 0.15 0.09 0.00 -2.23 0.00 0.00 60.65 58.74 1mfn s ILE 160 Cb -0.15 -4.04 -0.03 0.00 -1.58 0.00 0.00 42.46 36.65 1mfn s ILE 160 CO -0.17 -0.36 -0.23 -0.89 -1.23 0.00 0.00 174.94 172.07 1mfn s THR 161 N 2.46 1.87 0.05 2.92 2.01 -0.97 -0.18 115.64 123.81 1mfn s THR 161 Ca 0.19 -1.53 -0.07 0.00 0.31 0.00 0.00 61.69 60.58 1mfn s THR 161 Cb -0.15 -1.67 -0.01 0.00 0.01 0.00 0.00 72.50 70.68 1mfn s THR 161 CO 0.15 0.05 0.14 -1.48 -0.69 0.00 0.00 174.62 172.79 1mfn s LEU 162 N -1.78 1.62 -0.70 4.42 2.34 -0.68 0.21 118.68 124.10 1mfn s LEU 162 Ca 0.09 -0.53 0.05 0.00 0.06 0.00 0.00 54.13 53.80 1mfn s LEU 162 Cb -0.10 0.78 0.19 0.00 -0.56 0.00 0.00 46.19 46.50 1mfn s LEU 162 CO 0.04 -0.57 0.56 -1.22 -1.06 0.00 0.00 176.35 174.10 1mfn n TYR 163 N 0.54 3.38 -1.43 3.48 4.02 0.33 -2.35 117.16 125.14 1mfn n TYR 163 Ca -0.18 -4.28 -0.38 0.00 -0.01 0.00 0.00 57.90 53.05 1mfn n TYR 163 Cb 0.60 -0.63 0.03 0.00 -0.02 0.00 0.00 39.34 39.32 1mfn n TYR 163 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1mfn n ALA 164 N 1.71 -1.50 -3.67 -0.72 0.00 -1.26 -2.25 120.51 112.81 1mfn n ALA 164 Ca 0.22 -0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.49 1mfn n ALA 164 Cb 0.36 -1.75 -0.16 0.00 0.00 0.00 0.00 19.45 17.91 1mfn n ALA 164 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1mfn s VAL 165 N -1.77 -0.05 -0.01 0.00 1.01 0.18 -3.32 120.40 116.44 1mfn s VAL 165 Ca 0.67 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1mfn s VAL 165 Cb -0.46 -0.10 -0.01 0.00 0.00 0.00 0.00 36.38 35.82 1mfn s VAL 165 CO 0.56 0.08 -0.01 0.35 0.00 0.00 0.00 175.10 176.08 1mfn n THR 166 N 4.07 0.06 -1.04 3.92 -2.24 -1.26 -1.31 114.28 116.47 1mfn n THR 166 Ca -0.26 -0.02 -0.34 0.00 -2.27 0.00 0.00 64.05 61.16 1mfn n THR 166 Cb 0.51 -0.63 0.11 0.00 -2.10 0.00 0.00 70.33 68.21 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 3.40 -1.24 3.08 3.38 0.00 -1.26 -4.59 105.19 107.96 1mfn n GLY 167 Ca -0.02 -0.55 0.01 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.48 0.62 0.00 1.61 1.81 -1.26 -4.74 118.95 113.51 1mfn s ARG 168 Ca 0.65 -0.18 0.00 0.00 -1.72 0.00 0.00 55.73 54.48 1mfn s ARG 168 Cb -0.28 0.08 0.00 0.00 -0.45 0.00 0.00 34.95 34.30 1mfn s ARG 168 CO 0.59 -0.91 0.00 0.41 -0.68 0.00 0.00 175.30 174.71 1mfn n GLY 169 N 4.25 1.94 1.31 -3.53 0.00 -1.26 -4.97 105.19 102.93 1mfn n GLY 169 Ca 0.09 0.23 -0.01 0.00 0.00 0.00 0.00 46.02 46.32 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 3.31 0.00 1.61 5.68 -1.26 -4.59 116.55 121.30 1mfn n ASP 170 Ca 0.00 -2.55 0.00 0.00 -0.50 0.00 0.00 54.79 51.74 1mfn n ASP 170 Cb 0.00 -0.61 0.00 0.00 -1.14 0.00 0.00 41.12 39.37 1mfn n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1mfn n SER 171 N 0.11 0.00 -4.55 -1.12 7.64 -1.26 -5.10 113.62 109.34 1mfn n SER 171 Ca 0.18 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.67 1mfn n SER 171 Cb 0.82 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.99 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 0.00 3.20 -0.11 1.43 0.04 -1.26 -4.72 135.00 133.58 1mfn s PRO 172 Ca 0.00 -0.42 -0.18 0.00 0.04 0.00 0.00 61.00 60.44 1mfn s PRO 172 Cb 0.00 -4.66 -0.04 0.00 0.04 0.00 0.00 34.50 29.84 1mfn s PRO 172 CO 0.00 -2.34 0.46 0.00 0.04 0.00 0.00 177.00 175.16 1mfn s ALA 173 N 6.27 3.50 -0.29 8.56 0.00 -1.26 -5.04 121.76 133.50 1mfn s ALA 173 Ca 0.45 -0.20 -0.12 0.00 0.00 0.00 0.00 51.96 52.10 1mfn s ALA 173 Cb -0.06 -2.61 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 1mfn s ALA 173 CO 0.06 0.06 0.23 -1.54 0.00 0.00 0.00 175.76 174.57 1mfn s SER 174 N 0.43 6.06 1.03 0.00 1.04 -1.26 -4.44 113.70 116.57 1mfn s SER 174 Ca 0.25 -0.05 -0.23 0.00 0.48 0.00 0.00 55.95 56.40 1mfn s SER 174 Cb -0.15 -2.14 -0.09 0.00 0.10 0.00 0.00 66.02 63.74 1mfn s SER 174 CO 0.10 -0.11 -0.93 -1.54 0.98 0.00 0.00 173.24 171.75 1mfn n SER 175 N 5.11 -3.08 -4.54 7.02 3.41 -1.21 -4.71 113.62 115.62 1mfn n SER 175 Ca -0.13 -0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.05 1mfn n SER 175 Cb 0.51 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 1mfn n SER 175 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1mfn n LYS 176 N 0.93 0.99 -2.66 4.33 5.02 -1.26 -4.72 118.16 120.79 1mfn n LYS 176 Ca -0.01 0.35 -0.41 0.00 -2.02 0.00 0.00 58.31 56.23 1mfn n LYS 176 Cb 0.69 -1.76 -0.05 0.00 -0.02 0.00 0.00 35.03 33.89 1mfn n LYS 176 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1mfn s PRO 177 N -1.73 4.70 -0.10 1.97 0.04 -1.26 -4.73 135.00 133.90 1mfn s PRO 177 Ca 0.63 1.55 -0.01 0.00 0.04 0.00 0.00 61.00 63.21 1mfn s PRO 177 Cb -0.62 -3.32 -0.03 0.00 0.04 0.00 0.00 34.50 30.58 1mfn s PRO 177 CO 0.58 0.25 -0.05 0.08 0.04 0.00 0.00 177.00 177.89 1mfn s VAL 178 N -0.40 3.84 0.23 -0.36 1.01 -0.99 -4.95 120.40 118.78 1mfn s VAL 178 Ca 0.46 -0.41 0.09 0.00 0.00 0.00 0.00 61.98 62.12 1mfn s VAL 178 Cb -0.26 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 1mfn s VAL 178 CO 0.32 0.57 -0.15 -0.55 0.00 0.00 0.00 175.10 175.29 1mfn s SER 179 N -0.47 2.87 0.23 3.32 0.15 -1.26 -1.69 113.70 116.85 1mfn s SER 179 Ca 0.07 -1.03 -0.00 0.00 0.70 0.00 0.00 55.95 55.68 1mfn s SER 179 Cb -0.12 -0.18 -0.04 0.00 -1.71 0.00 0.00 66.02 63.97 1mfn s SER 179 CO 0.02 -0.12 0.19 0.27 1.20 0.00 0.00 173.24 174.79 1mfn s ILE 180 N -2.85 0.00 0.35 6.45 -4.36 0.75 -4.96 121.20 116.59 1mfn s ILE 180 Ca 0.25 -1.95 0.07 0.00 -0.26 0.00 0.00 60.65 58.76 1mfn s ILE 180 Cb -0.02 -2.49 -0.02 0.00 1.25 0.00 0.00 42.46 41.19 1mfn s ILE 180 CO 0.09 0.00 0.38 0.20 0.24 0.00 0.00 174.94 175.86 1mfn s ASN 181 N -3.19 5.52 0.29 4.36 -0.87 -1.26 -1.47 114.94 118.31 1mfn s ASN 181 Ca 0.38 -0.41 -0.13 0.00 -1.57 0.00 0.00 52.86 51.12 1mfn s ASN 181 Cb 0.06 -0.99 0.01 0.00 -0.02 0.00 0.00 41.25 40.30 1mfn s ASN 181 CO 0.15 -0.44 0.57 -0.47 -2.57 0.00 0.00 177.10 174.34 1mfn s TYR 182 N -2.28 0.31 -0.12 2.20 5.04 -0.65 -4.67 117.35 117.18 1mfn s TYR 182 Ca 0.44 -0.72 -0.04 0.00 -2.44 0.00 0.00 57.07 54.31 1mfn s TYR 182 Cb -0.07 0.35 0.06 0.00 0.35 0.00 0.00 41.96 42.65 1mfn s TYR 182 CO 0.29 -1.15 0.21 0.21 -1.34 0.00 0.00 175.55 173.77 1mfn s LYS 183 N -3.61 0.10 0.00 4.97 2.47 -1.26 -1.13 119.74 121.28 1mfn s LYS 183 Ca 0.20 0.58 0.17 0.00 -1.56 0.00 0.00 55.97 55.36 1mfn s LYS 183 Cb -0.02 -0.33 0.13 0.00 -1.46 0.00 0.00 37.83 36.15 1mfn s LYS 183 CO 0.11 -0.36 1.02 0.25 0.16 0.00 0.00 175.35 176.53