#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 -4.75 0.99 4.32 -1.26 -5.11 117.00 111.20 1mfn n LEU 2 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 56.01 55.61 1mfn n LEU 2 Cb 0.00 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.74 1mfn n LEU 2 CO 0.00 -0.01 0.19 -1.81 -1.22 0.00 0.00 177.39 174.54 1mfn s ASP 3 N 0.33 6.77 0.14 -1.43 1.01 -1.26 -5.05 116.67 117.18 1mfn s ASP 3 Ca 0.00 0.92 -0.04 0.00 0.71 0.00 0.00 52.55 54.14 1mfn s ASP 3 Cb 0.00 -2.30 -0.05 0.00 1.01 0.00 0.00 42.92 41.57 1mfn s ASP 3 CO 0.00 0.06 0.37 -0.44 0.21 0.00 0.00 175.17 175.37 1mfn s SER 4 N 0.22 6.48 0.03 0.27 0.01 -1.26 -4.61 113.70 114.84 1mfn s SER 4 Ca 0.27 0.57 -0.30 0.00 1.31 0.00 0.00 55.95 57.80 1mfn s SER 4 Cb -0.16 -2.08 -0.04 0.00 0.21 0.00 0.00 66.02 63.95 1mfn s SER 4 CO 0.12 0.06 0.99 -2.16 0.41 0.00 0.00 173.24 172.66 1mfn s PRO 5 N -2.66 4.59 0.00 12.44 0.04 -1.26 -4.73 135.00 143.42 1mfn s PRO 5 Ca 0.41 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1mfn s PRO 5 Cb -0.12 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1mfn s PRO 5 CO 0.25 0.00 0.00 0.25 0.04 0.00 0.00 177.00 177.54 1mfn n THR 6 N 3.65 0.00 -2.09 1.26 -2.24 -1.26 -4.63 114.28 108.96 1mfn n THR 6 Ca 0.05 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.77 1mfn n THR 6 Cb 0.50 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.72 1mfn n THR 6 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mfn n GLY 7 N 0.00 -0.17 0.12 3.38 0.00 -1.26 -4.29 105.19 102.97 1mfn n GLY 7 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1mfn n GLY 7 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1mfn n PHE 8 N -2.52 -3.05 -3.16 1.61 -1.74 -1.26 -4.69 117.46 102.65 1mfn n PHE 8 Ca -0.07 -0.03 0.04 0.00 -0.56 0.00 0.00 57.45 56.83 1mfn n PHE 8 Cb 0.46 -0.04 -0.01 0.00 1.52 0.00 0.00 39.48 41.41 1mfn n PHE 8 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1mfn s ASP 9 N -1.59 -1.00 0.15 5.98 2.15 -0.71 -4.93 116.67 116.72 1mfn s ASP 9 Ca 0.02 0.65 -0.25 0.00 0.43 0.00 0.00 52.55 53.40 1mfn s ASP 9 Cb -0.00 1.85 -0.08 0.00 -0.30 0.00 0.00 42.92 44.39 1mfn s ASP 9 CO 0.02 -0.19 0.75 -0.94 -0.17 0.00 0.00 175.17 174.64 1mfn s SER 10 N 2.89 7.34 0.00 -0.34 1.04 -1.26 -1.08 113.70 122.30 1mfn s SER 10 Ca 0.12 1.59 0.00 0.00 0.48 0.00 0.00 55.95 58.13 1mfn s SER 10 Cb -0.13 -2.48 0.00 0.00 0.10 0.00 0.00 66.02 63.51 1mfn s SER 10 CO -0.17 0.20 0.00 -1.54 0.98 0.00 0.00 173.24 172.72 1mfn n SER 11 N 1.69 0.00 -3.66 7.02 3.41 -0.74 -4.85 113.62 116.49 1mfn n SER 11 Ca -0.06 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.29 1mfn n SER 11 Cb 0.49 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 1mfn n SER 11 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1mfn n ASP 12 N 0.00 -2.54 -4.78 4.04 9.92 -1.26 -1.27 116.55 120.66 1mfn n ASP 12 Ca 0.00 -0.55 -0.37 0.00 -0.53 0.00 0.00 54.79 53.34 1mfn n ASP 12 Cb 0.00 -2.16 -0.04 0.00 -0.64 0.00 0.00 41.12 38.28 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 -2.88 3.64 0.39 0.53 1.01 -1.26 -1.23 121.20 121.39 1mfn s ILE 13 Ca 0.50 1.30 0.04 0.00 0.00 0.00 0.00 60.65 62.49 1mfn s ILE 13 Cb -0.28 -3.69 -0.05 0.00 0.01 0.00 0.00 42.46 38.45 1mfn s ILE 13 CO 0.61 0.05 0.05 0.42 0.00 0.00 0.00 174.94 176.07 1mfn s THR 14 N -1.59 1.33 -0.00 2.92 -4.23 1.01 -4.68 115.64 110.40 1mfn s THR 14 Ca 0.57 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.96 1mfn s THR 14 Cb -0.24 -2.68 -0.06 0.00 1.34 0.00 0.00 72.50 70.86 1mfn s THR 14 CO 0.30 0.00 0.77 0.00 -0.54 0.00 0.00 174.62 175.15 1mfn h ALA 15 N 1.84 -0.71 -0.47 3.99 0.00 0.37 -2.32 119.26 121.96 1mfn h ALA 15 Ca -0.41 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.20 1mfn h ALA 15 Cb 1.26 0.16 -0.12 0.00 0.00 0.00 0.00 17.79 19.08 1mfn h ALA 15 CO 0.72 -0.68 0.26 0.09 0.00 0.00 0.00 179.25 179.63 1mfn n ASN 16 N -3.62 3.42 -3.62 0.00 4.13 -1.26 -3.31 115.26 111.00 1mfn n ASN 16 Ca -0.05 -2.76 -0.02 0.00 1.68 0.00 0.00 54.58 53.43 1mfn n ASN 16 Cb 0.16 -0.66 -0.02 0.00 -1.54 0.00 0.00 39.78 37.72 1mfn n ASN 16 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1mfn s SER 17 N -0.26 -0.05 -0.18 6.41 1.04 -1.21 -1.91 113.70 117.55 1mfn s SER 17 Ca 0.30 -0.01 -0.29 0.00 0.48 0.00 0.00 55.95 56.43 1mfn s SER 17 Cb 0.24 0.06 0.12 0.00 0.10 0.00 0.00 66.02 66.55 1mfn s SER 17 CO 0.06 -0.10 0.97 0.72 0.98 0.00 0.00 173.24 175.88 1mfn s PHE 18 N -2.18 -0.42 0.39 5.02 -0.12 -0.90 0.33 117.98 120.10 1mfn s PHE 18 Ca 0.11 0.80 -0.04 0.00 -0.05 0.00 0.00 56.93 57.76 1mfn s PHE 18 Cb -0.00 0.43 -0.04 0.00 -0.63 0.00 0.00 43.02 42.78 1mfn s PHE 18 CO -0.03 -0.34 0.65 0.99 -0.05 0.00 0.00 175.22 176.43 1mfn s THR 19 N -0.83 4.99 -0.24 -4.49 2.01 -0.37 0.13 115.64 116.84 1mfn s THR 19 Ca -0.02 -0.02 -0.04 0.00 0.31 0.00 0.00 61.69 61.92 1mfn s THR 19 Cb -0.01 -3.83 0.08 0.00 0.01 0.00 0.00 72.50 68.75 1mfn s THR 19 CO 0.01 -0.61 0.11 -0.69 -0.69 0.00 0.00 174.62 172.75 1mfn s VAL 20 N -2.42 0.01 0.55 3.82 1.01 0.91 -1.80 120.40 122.48 1mfn s VAL 20 Ca 0.44 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.80 1mfn s VAL 20 Cb -0.10 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.40 1mfn s VAL 20 CO 0.38 -0.53 0.87 -1.00 0.00 0.00 0.00 175.10 174.81 1mfn s HIS 21 N 2.07 3.39 -0.29 5.22 3.76 -0.24 -2.23 115.29 126.97 1mfn s HIS 21 Ca 0.06 0.75 -0.22 0.00 -0.15 0.00 0.00 55.06 55.50 1mfn s HIS 21 Cb -0.16 -2.58 0.17 0.00 1.11 0.00 0.00 32.58 31.13 1mfn s HIS 21 CO -0.24 -0.61 1.25 1.67 -0.85 0.00 0.00 174.74 175.95 1mfn s TRP 22 N -2.91 -0.22 0.73 1.40 -2.14 0.45 -1.74 118.94 114.51 1mfn s TRP 22 Ca 0.52 0.49 -0.11 0.00 2.66 0.00 0.00 56.10 59.66 1mfn s TRP 22 Cb -0.10 0.34 0.03 0.00 -3.10 0.00 0.00 33.47 30.64 1mfn s TRP 22 CO 0.46 -0.11 1.07 0.08 -2.66 0.00 0.00 176.95 175.79 1mfn s VAL 23 N 0.48 3.68 0.32 -0.66 1.01 -1.26 -4.61 120.40 119.35 1mfn s VAL 23 Ca 0.01 0.55 0.03 0.00 0.00 0.00 0.00 61.98 62.56 1mfn s VAL 23 Cb -0.04 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1mfn s VAL 23 CO -0.12 -0.71 0.49 0.00 0.00 0.00 0.00 175.10 174.75 1mfn s ALA 24 N -3.07 3.84 0.71 5.51 0.00 -1.26 -4.52 121.76 122.96 1mfn s ALA 24 Ca 0.59 -1.09 -0.11 0.00 0.00 0.00 0.00 51.96 51.35 1mfn s ALA 24 Cb -0.14 -1.94 0.02 0.00 0.00 0.00 0.00 23.12 21.06 1mfn s ALA 24 CO 0.55 0.03 1.08 -1.25 0.00 0.00 0.00 175.76 176.17 1mfn s PRO 25 N -4.21 2.79 -0.26 0.00 0.04 -1.26 -4.95 135.00 127.15 1mfn s PRO 25 Ca 0.39 0.58 0.03 0.00 0.04 0.00 0.00 61.00 62.05 1mfn s PRO 25 Cb -0.09 -2.00 0.43 0.00 0.04 0.00 0.00 34.50 32.87 1mfn s PRO 25 CO 0.33 -1.11 1.54 0.54 0.04 0.00 0.00 177.00 178.34 1mfn n ARG 26 N -3.08 1.99 -4.46 4.56 5.12 -1.26 -4.90 116.66 114.64 1mfn n ARG 26 Ca 0.07 -1.89 -0.24 0.00 -1.93 0.00 0.00 57.85 53.85 1mfn n ARG 26 Cb 0.56 -1.77 -0.10 0.00 -1.16 0.00 0.00 32.46 30.00 1mfn n ARG 26 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1mfn s ALA 27 N -2.07 2.87 -1.00 7.54 0.00 -1.26 -4.94 121.76 122.90 1mfn s ALA 27 Ca 0.35 -1.90 -0.23 0.00 0.00 0.00 0.00 51.96 50.18 1mfn s ALA 27 Cb 0.30 -0.28 0.03 0.00 0.00 0.00 0.00 23.12 23.16 1mfn s ALA 27 CO 0.07 0.22 1.54 -1.25 0.00 0.00 0.00 175.76 176.35 1mfn s PRO 28 N -3.56 3.41 0.50 0.00 0.04 -1.26 -4.98 135.00 129.14 1mfn s PRO 28 Ca 0.31 -0.98 0.06 0.00 0.04 0.00 0.00 61.00 60.42 1mfn s PRO 28 Cb -0.03 -5.31 0.03 0.00 0.04 0.00 0.00 34.50 29.23 1mfn s PRO 28 CO 0.16 -2.42 0.69 0.96 0.04 0.00 0.00 177.00 176.43 1mfn s ILE 29 N 5.88 2.73 -0.14 0.56 -4.36 -1.26 -4.95 121.20 119.66 1mfn s ILE 29 Ca 0.50 -0.87 0.19 0.00 -0.26 0.00 0.00 60.65 60.21 1mfn s ILE 29 Cb -0.01 -2.86 -0.27 0.00 1.25 0.00 0.00 42.46 40.57 1mfn s ILE 29 CO -0.08 0.00 0.20 0.35 0.24 0.00 0.00 174.94 175.65 1mfn n THR 30 N -2.11 0.90 -2.12 8.37 -2.24 -0.82 -4.99 114.28 111.27 1mfn n THR 30 Ca 0.09 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 1mfn n THR 30 Cb 0.60 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 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 1.62 1.13 3.60 3.38 0.00 -1.20 -4.33 105.19 109.40 1mfn n GLY 31 Ca -0.23 -0.34 -0.03 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.23 -0.87 -0.04 1.61 2.02 -0.06 -3.82 117.35 114.95 1mfn s TYR 32 Ca 0.00 1.65 -0.13 0.00 -0.37 0.00 0.00 57.07 58.21 1mfn s TYR 32 Cb 0.00 0.52 -0.05 0.00 -0.40 0.00 0.00 41.96 42.03 1mfn s TYR 32 CO 0.00 -0.43 0.35 0.42 -1.57 0.00 0.00 175.55 174.32 1mfn s ILE 33 N 1.92 5.15 -0.20 2.71 1.01 0.35 0.43 121.20 132.57 1mfn s ILE 33 Ca -0.08 0.70 0.01 0.00 0.00 0.00 0.00 60.65 61.29 1mfn s ILE 33 Cb -0.06 -3.65 0.03 0.00 0.01 0.00 0.00 42.46 38.79 1mfn s ILE 33 CO -0.18 0.56 -0.18 -0.63 0.00 0.00 0.00 174.94 174.52 1mfn s ILE 34 N -0.90 2.11 -0.01 2.92 -1.09 0.26 0.21 121.20 124.70 1mfn s ILE 34 Ca 0.22 -1.08 0.07 0.00 -2.23 0.00 0.00 60.65 57.63 1mfn s ILE 34 Cb -0.15 -1.96 -0.02 0.00 -1.58 0.00 0.00 42.46 38.75 1mfn s ILE 34 CO 0.11 0.42 -0.24 0.00 -1.23 0.00 0.00 174.94 174.00 1mfn s ARG 35 N 1.25 1.88 0.19 2.79 1.70 -0.45 0.26 118.95 126.56 1mfn s ARG 35 Ca 0.02 -0.86 0.00 0.00 -0.47 0.00 0.00 55.73 54.42 1mfn s ARG 35 Cb -0.14 -1.84 -0.04 0.00 -0.57 0.00 0.00 34.95 32.36 1mfn s ARG 35 CO -0.11 0.50 0.07 -1.01 -1.08 0.00 0.00 175.30 173.67 1mfn s HIS 36 N -0.58 1.17 -0.22 5.89 3.76 -1.05 -0.32 115.29 123.95 1mfn s HIS 36 Ca 0.09 -1.20 -0.29 0.00 -0.15 0.00 0.00 55.06 53.51 1mfn s HIS 36 Cb -0.09 -0.65 0.16 0.00 1.11 0.00 0.00 32.58 33.11 1mfn s HIS 36 CO -0.01 -0.43 1.17 -3.38 -0.85 0.00 0.00 174.74 171.24 1mfn s HIS 37 N -3.91 -0.22 0.00 1.40 -3.43 -0.79 -3.64 115.29 104.70 1mfn s HIS 37 Ca 0.31 0.39 0.00 0.00 -0.80 0.00 0.00 55.06 54.95 1mfn s HIS 37 Cb 0.07 0.47 0.00 0.00 -1.43 0.00 0.00 32.58 31.69 1mfn s HIS 37 CO 0.07 -0.20 0.00 0.00 -2.00 0.00 0.00 174.74 172.62 1mfn n ALA 38 N 0.70 0.00 -1.00 -1.38 0.00 -1.25 0.18 120.51 117.77 1mfn n ALA 38 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1mfn n ALA 38 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.59 0.00 0.00 0.00 -0.58 -1.23 -3.65 120.64 114.59 1mfn n GLU 39 Ca 0.00 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.85 1mfn n GLU 39 Cb 0.00 -0.23 0.66 0.00 -0.57 0.00 0.00 31.44 31.30 1mfn n GLU 39 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1mfn n HIS 40 N 0.00 0.00 -2.41 -0.32 8.25 -1.26 -4.54 115.22 114.94 1mfn n HIS 40 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 1mfn n HIS 40 Cb 0.00 -0.05 -0.03 0.00 1.12 0.00 0.00 29.99 31.03 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 -2.10 6.13 0.00 0.41 1.04 -1.26 -4.58 113.70 113.34 1mfn s SER 41 Ca 0.32 -1.37 0.00 0.00 0.48 0.00 0.00 55.95 55.38 1mfn s SER 41 Cb 0.16 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.71 1mfn s SER 41 CO 0.28 -1.86 0.46 0.55 0.98 0.00 0.00 173.24 173.65 1mfn n VAL 42 N 7.13 0.00 0.00 5.02 3.14 -1.26 -3.79 118.33 128.57 1mfn n VAL 42 Ca 0.37 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 1mfn n VAL 42 Cb 0.49 1.02 0.00 0.00 -1.06 0.00 0.00 33.84 34.30 1mfn n VAL 42 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1mfn n GLY 43 N 0.06 -1.29 2.91 7.55 0.00 -1.26 -4.41 105.19 108.75 1mfn n GLY 43 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1mfn n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mfn s ARG 44 N 0.00 2.35 0.00 1.61 1.81 -1.26 -5.08 118.95 118.38 1mfn s ARG 44 Ca 0.00 -3.19 0.00 0.00 -1.72 0.00 0.00 55.73 50.82 1mfn s ARG 44 Cb 0.00 -3.39 0.00 0.00 -0.45 0.00 0.00 34.95 31.11 1mfn s ARG 44 CO 0.00 -1.25 0.00 -0.35 -0.68 0.00 0.00 175.30 173.02 1mfn n PRO 45 N 2.22 -0.17 -4.34 3.54 -0.04 -1.26 -5.10 135.00 129.85 1mfn n PRO 45 Ca 0.16 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.40 1mfn n PRO 45 Cb 0.34 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.69 1mfn n PRO 45 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1mfn s ARG 46 N -2.89 1.29 -0.23 0.54 1.04 -1.24 -5.07 118.95 112.38 1mfn s ARG 46 Ca 0.00 -1.39 0.00 0.00 -1.04 0.00 0.00 55.73 53.30 1mfn s ARG 46 Cb 0.00 -1.41 0.06 0.00 -2.04 0.00 0.00 34.95 31.56 1mfn s ARG 46 CO 0.00 0.30 -0.04 -0.65 -0.04 0.00 0.00 175.30 174.87 1mfn s GLN 47 N -2.65 1.49 -0.41 3.89 -0.21 -1.26 -2.51 119.66 118.00 1mfn s GLN 47 Ca 0.15 -0.95 -0.20 0.00 0.02 0.00 0.00 55.36 54.38 1mfn s GLN 47 Cb -0.07 -2.54 0.02 0.00 1.00 0.00 0.00 33.01 31.42 1mfn s GLN 47 CO 0.07 -0.62 0.59 -0.51 -2.12 0.00 0.00 175.29 172.70 1mfn s ASP 48 N 1.44 6.32 0.02 5.90 1.11 0.72 -4.88 116.67 127.29 1mfn s ASP 48 Ca -0.05 -0.26 -0.18 0.00 0.18 0.00 0.00 52.55 52.24 1mfn s ASP 48 Cb -0.19 -2.30 -0.06 0.00 1.07 0.00 0.00 42.92 41.45 1mfn s ASP 48 CO -0.07 -0.67 0.52 -0.13 1.18 0.00 0.00 175.17 176.00 1mfn s ARG 49 N 2.64 4.16 0.21 8.23 1.81 -1.26 0.89 118.95 135.63 1mfn s ARG 49 Ca 0.21 0.62 0.08 0.00 -1.72 0.00 0.00 55.73 54.91 1mfn s ARG 49 Cb -0.15 -3.28 -0.05 0.00 -0.45 0.00 0.00 34.95 31.03 1mfn s ARG 49 CO 0.17 0.54 -0.14 0.14 -0.68 0.00 0.00 175.30 175.33 1mfn s VAL 50 N -0.72 1.72 0.96 3.52 -7.23 0.17 -4.81 120.40 114.02 1mfn s VAL 50 Ca 0.28 -2.21 -0.15 0.00 -1.81 0.00 0.00 61.98 58.09 1mfn s VAL 50 Cb -0.18 -2.06 0.18 0.00 0.56 0.00 0.00 36.38 34.88 1mfn s VAL 50 CO 0.16 -0.59 1.22 -2.16 -0.31 0.00 0.00 175.10 173.42 1mfn s PRO 51 N -3.65 0.70 0.26 4.82 0.04 -1.26 -0.88 135.00 135.02 1mfn s PRO 51 Ca 0.23 -0.10 0.26 0.00 0.04 0.00 0.00 61.00 61.42 1mfn s PRO 51 Cb -0.00 -1.82 0.84 0.00 0.04 0.00 0.00 34.50 33.55 1mfn s PRO 51 CO 0.07 -2.42 1.76 -1.00 0.04 0.00 0.00 177.00 175.44 1mfn h PRO 52 N -1.65 0.00 -0.58 0.56 0.13 -1.80 -2.98 132.00 125.67 1mfn h PRO 52 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1mfn h PRO 52 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1mfn h PRO 52 CO 0.48 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.68 1mfn n SER 53 N -2.36 3.26 -4.05 1.44 7.64 -1.26 -4.81 113.62 113.48 1mfn n SER 53 Ca 0.04 -2.20 -0.30 0.00 1.01 0.00 0.00 58.87 57.42 1mfn n SER 53 Cb 0.38 -0.44 -0.16 0.00 -1.01 0.00 0.00 64.21 62.98 1mfn n SER 53 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1mfn s ARG 54 N -1.60 2.39 0.00 1.43 1.81 -1.13 -4.97 118.95 116.89 1mfn s ARG 54 Ca 0.36 -0.60 0.15 0.00 -1.72 0.00 0.00 55.73 53.92 1mfn s ARG 54 Cb 0.22 -2.13 0.10 0.00 -0.45 0.00 0.00 34.95 32.69 1mfn s ARG 54 CO 0.20 -0.19 0.95 0.27 -0.68 0.00 0.00 175.30 175.85 1mfn n ASN 55 N 4.60 2.14 -3.94 0.23 0.23 -1.26 -4.78 115.26 112.48 1mfn n ASN 55 Ca -0.18 -1.57 -0.21 0.00 -0.53 0.00 0.00 54.58 52.09 1mfn n ASN 55 Cb 0.50 0.09 -0.16 0.00 -2.08 0.00 0.00 39.78 38.12 1mfn n ASN 55 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1mfn s SER 56 N -1.36 1.21 0.00 0.53 1.04 -1.26 -0.41 113.70 113.45 1mfn s SER 56 Ca 0.17 -0.18 0.06 0.00 0.48 0.00 0.00 55.95 56.47 1mfn s SER 56 Cb 0.13 -0.57 -0.02 0.00 0.10 0.00 0.00 66.02 65.66 1mfn s SER 56 CO 0.22 -0.03 -0.19 -0.51 0.98 0.00 0.00 173.24 173.72 1mfn s ILE 57 N 0.83 1.50 -0.20 -1.02 2.07 -0.95 -4.91 121.20 118.52 1mfn s ILE 57 Ca -0.12 -0.89 -0.07 0.00 -1.41 0.00 0.00 60.65 58.16 1mfn s ILE 57 Cb -0.15 -1.26 -0.04 0.00 0.13 0.00 0.00 42.46 41.14 1mfn s ILE 57 CO 0.01 0.35 0.06 -0.89 -1.91 0.00 0.00 174.94 172.57 1mfn s THR 58 N -0.53 4.64 0.55 4.00 2.01 -1.26 -0.06 115.64 124.98 1mfn s THR 58 Ca 0.07 -0.08 -0.07 0.00 0.31 0.00 0.00 61.69 61.91 1mfn s THR 58 Cb -0.08 -3.11 -0.03 0.00 0.01 0.00 0.00 72.50 69.30 1mfn s THR 58 CO -0.00 0.43 0.89 -0.76 -0.69 0.00 0.00 174.62 174.49 1mfn s LEU 59 N 0.70 3.42 0.24 4.42 1.02 0.35 -4.83 118.68 124.00 1mfn s LEU 59 Ca 0.03 1.08 -0.14 0.00 0.02 0.00 0.00 54.13 55.12 1mfn s LEU 59 Cb -0.13 -4.04 0.00 0.00 0.02 0.00 0.00 46.19 42.03 1mfn s LEU 59 CO 0.02 -0.77 0.50 0.42 0.02 0.00 0.00 176.35 176.54 1mfn s THR 60 N -2.95 0.01 -1.22 5.49 -4.23 -1.26 -2.12 115.64 109.35 1mfn s THR 60 Ca 0.51 -1.30 -0.02 0.00 -1.18 0.00 0.00 61.69 59.71 1mfn s THR 60 Cb -0.11 -2.10 0.00 0.00 1.34 0.00 0.00 72.50 71.64 1mfn s THR 60 CO 0.48 -0.03 1.03 0.59 -0.54 0.00 0.00 174.62 176.15 1mfn n ASN 61 N -0.38 -2.79 -4.30 3.99 4.13 -0.80 -4.87 115.26 110.24 1mfn n ASN 61 Ca -0.03 -0.60 -0.19 0.00 1.68 0.00 0.00 54.58 55.44 1mfn n ASN 61 Cb 0.62 -5.10 -0.11 0.00 -1.54 0.00 0.00 39.78 33.65 1mfn n ASN 61 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1mfn s LEU 62 N -6.51 2.48 0.22 3.41 1.43 -1.15 -5.02 118.68 113.54 1mfn s LEU 62 Ca 0.10 -0.92 -0.31 0.00 -1.03 0.00 0.00 54.13 51.98 1mfn s LEU 62 Cb -0.04 -0.63 -0.11 0.00 0.03 0.00 0.00 46.19 45.44 1mfn s LEU 62 CO 0.73 -0.15 1.56 0.20 0.23 0.00 0.00 176.35 178.92 1mfn s ASN 63 N -2.87 6.52 -0.08 2.29 -0.87 -1.26 -4.09 114.94 114.58 1mfn s ASN 63 Ca 0.16 2.75 -0.30 0.00 -1.57 0.00 0.00 52.86 53.90 1mfn s ASN 63 Cb -0.03 -2.61 -0.02 0.00 -0.02 0.00 0.00 41.25 38.57 1mfn s ASN 63 CO 0.05 -0.83 1.11 -2.16 -2.57 0.00 0.00 177.10 172.70 1mfn s PRO 64 N 0.34 4.39 -0.10 -0.60 0.04 -1.21 -3.94 135.00 133.92 1mfn s PRO 64 Ca 0.66 1.55 -0.01 0.00 0.04 0.00 0.00 61.00 63.24 1mfn s PRO 64 Cb -0.45 -3.55 -0.01 0.00 0.04 0.00 0.00 34.50 30.54 1mfn s PRO 64 CO 0.39 -0.38 0.09 0.41 0.04 0.00 0.00 177.00 177.54 1mfn n GLY 65 N 3.24 0.52 3.40 0.56 0.00 0.44 -4.62 105.19 108.74 1mfn n GLY 65 Ca 0.10 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.03 0.02 0.04 2.61 2.01 -0.86 -4.87 115.64 111.56 1mfn s THR 66 Ca 0.04 -0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.61 1mfn s THR 66 Cb -0.01 -0.77 -0.05 0.00 0.01 0.00 0.00 72.50 71.68 1mfn s THR 66 CO 0.08 -0.07 1.18 -0.70 -0.69 0.00 0.00 174.62 174.42 1mfn s GLU 67 N -0.51 4.44 0.28 4.92 2.12 -1.26 0.23 118.70 128.92 1mfn s GLU 67 Ca -0.06 1.73 0.07 0.00 0.36 0.00 0.00 54.97 57.06 1mfn s GLU 67 Cb -0.03 -3.38 -0.06 0.00 0.26 0.00 0.00 34.13 30.92 1mfn s GLU 67 CO 0.04 -0.25 -0.06 0.71 -0.54 0.00 0.00 175.26 175.15 1mfn s TYR 68 N 1.16 1.97 0.33 5.30 1.51 0.12 -3.49 117.35 124.24 1mfn s TYR 68 Ca 0.58 -0.68 0.08 0.00 -1.01 0.00 0.00 57.07 56.04 1mfn s TYR 68 Cb -0.28 -1.11 -0.04 0.00 -0.11 0.00 0.00 41.96 40.42 1mfn s TYR 68 CO 0.28 0.30 0.17 0.08 -1.11 0.00 0.00 175.55 175.27 1mfn s VAL 69 N -2.99 3.23 -0.08 0.71 1.01 0.49 -2.14 120.40 120.62 1mfn s VAL 69 Ca 0.29 -1.63 -0.13 0.00 0.00 0.00 0.00 61.98 60.51 1mfn s VAL 69 Cb 0.03 -3.03 0.03 0.00 0.00 0.00 0.00 36.38 33.41 1mfn s VAL 69 CO 0.12 -0.20 0.33 -0.69 0.00 0.00 0.00 175.10 174.66 1mfn s VAL 70 N -2.38 0.02 -0.08 2.92 1.01 -0.65 -1.88 120.40 119.36 1mfn s VAL 70 Ca 0.38 -0.19 -0.03 0.00 0.00 0.00 0.00 61.98 62.14 1mfn s VAL 70 Cb -0.04 -0.54 0.04 0.00 0.00 0.00 0.00 36.38 35.85 1mfn s VAL 70 CO 0.23 -0.11 0.12 -0.94 0.00 0.00 0.00 175.10 174.41 1mfn s SER 71 N -0.43 1.03 -0.09 3.32 1.04 0.57 -0.78 113.70 118.36 1mfn s SER 71 Ca -0.06 0.15 -0.18 0.00 0.48 0.00 0.00 55.95 56.34 1mfn s SER 71 Cb -0.04 0.10 -0.05 0.00 0.10 0.00 0.00 66.02 66.14 1mfn s SER 71 CO 0.02 -0.26 0.49 -0.63 0.98 0.00 0.00 173.24 173.85 1mfn s ILE 72 N 2.24 5.12 0.13 -1.02 -1.09 0.40 -1.34 121.20 125.65 1mfn s ILE 72 Ca 0.04 1.00 0.09 0.00 -2.23 0.00 0.00 60.65 59.55 1mfn s ILE 72 Cb -0.12 -3.83 -0.04 0.00 -1.58 0.00 0.00 42.46 36.88 1mfn s ILE 72 CO -0.05 0.37 -0.19 -0.63 -1.23 0.00 0.00 174.94 173.20 1mfn s ILE 73 N 0.32 2.76 0.07 2.92 1.01 0.58 -0.80 121.20 128.06 1mfn s ILE 73 Ca 0.27 -1.60 0.08 0.00 0.00 0.00 0.00 60.65 59.41 1mfn s ILE 73 Cb -0.16 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 1mfn s ILE 73 CO 0.12 0.06 -0.23 0.00 0.00 0.00 0.00 174.94 174.89 1mfn s ALA 74 N -1.23 1.96 -0.04 9.38 0.00 -1.26 0.13 121.76 130.70 1mfn s ALA 74 Ca 0.18 -1.22 0.02 0.00 0.00 0.00 0.00 51.96 50.94 1mfn s ALA 74 Cb -0.10 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 22.69 1mfn s ALA 74 CO 0.10 0.43 -0.07 0.14 0.00 0.00 0.00 175.76 176.36 1mfn s VAL 75 N -0.95 0.67 -0.48 0.00 -7.23 -1.25 -2.79 120.40 108.38 1mfn s VAL 75 Ca 0.09 -0.25 0.06 0.00 -1.81 0.00 0.00 61.98 60.07 1mfn s VAL 75 Cb -0.10 -0.64 0.39 0.00 0.56 0.00 0.00 36.38 36.60 1mfn s VAL 75 CO 0.03 0.24 1.05 -3.20 -0.31 0.00 0.00 175.10 172.90 1mfn n ASN 76 N 3.66 4.46 0.00 4.85 4.05 -0.98 -1.95 115.26 129.35 1mfn n ASN 76 Ca -0.22 -3.66 0.00 0.00 0.45 0.00 0.00 54.58 51.15 1mfn n ASN 76 Cb 0.53 -0.50 0.00 0.00 1.23 0.00 0.00 39.78 41.04 1mfn n ASN 76 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1mfn n GLY 77 N -0.38 2.20 0.00 8.20 0.00 -1.26 -3.30 105.19 110.65 1mfn n GLY 77 Ca 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1mfn n GLY 77 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1mfn n ARG 78 N 0.00 -0.37 -3.61 1.61 3.00 -1.26 -5.06 116.66 110.97 1mfn n ARG 78 Ca 0.00 -0.33 -0.24 0.00 -0.00 0.00 0.00 57.85 57.28 1mfn n ARG 78 Cb 0.00 -0.82 0.01 0.00 0.00 0.00 0.00 32.46 31.65 1mfn n ARG 78 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1mfn s GLU 79 N -0.04 2.29 -0.30 -0.14 0.41 -1.21 -5.13 118.70 114.59 1mfn s GLU 79 Ca 0.00 -1.88 0.01 0.00 -0.41 0.00 0.00 54.97 52.69 1mfn s GLU 79 Cb 0.00 -2.28 0.19 0.00 -1.78 0.00 0.00 34.13 30.26 1mfn s GLU 79 CO 0.00 -0.67 0.62 -1.21 -0.49 0.00 0.00 175.26 173.51 1mfn s GLU 80 N -4.39 0.54 1.48 1.61 2.02 -1.26 -2.32 118.70 116.39 1mfn s GLU 80 Ca 0.43 0.77 -0.24 0.00 0.02 0.00 0.00 54.97 55.95 1mfn s GLU 80 Cb -0.03 0.40 0.39 0.00 0.10 0.00 0.00 34.13 34.99 1mfn s GLU 80 CO 0.27 -0.78 0.89 -1.54 0.02 0.00 0.00 175.26 174.12 1mfn s SER 81 N 2.85 -1.59 0.44 -0.19 1.04 -1.12 -4.93 113.70 110.20 1mfn s SER 81 Ca 0.16 0.83 -0.21 0.00 0.48 0.00 0.00 55.95 57.21 1mfn s SER 81 Cb -0.12 -1.16 -0.10 0.00 0.10 0.00 0.00 66.02 64.73 1mfn s SER 81 CO -0.23 -5.68 1.00 -2.16 0.98 0.00 0.00 173.24 167.14 1mfn s PRO 82 N -5.09 4.07 -0.55 4.02 0.04 -1.26 -4.44 135.00 131.79 1mfn s PRO 82 Ca 0.68 1.27 -0.28 0.00 0.04 0.00 0.00 61.00 62.71 1mfn s PRO 82 Cb -0.13 -2.22 0.02 0.00 0.04 0.00 0.00 34.50 32.22 1mfn s PRO 82 CO 0.57 -0.19 1.31 -1.25 0.04 0.00 0.00 177.00 177.48 1mfn s PRO 83 N -3.06 3.44 -0.22 0.56 0.04 -1.26 -4.59 135.00 129.91 1mfn s PRO 83 Ca 0.63 0.42 -0.29 0.00 0.04 0.00 0.00 61.00 61.80 1mfn s PRO 83 Cb -0.14 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.35 1mfn s PRO 83 CO 0.18 -1.77 1.09 -1.17 0.04 0.00 0.00 177.00 175.37 1mfn s LEU 84 N 5.45 4.11 0.32 -3.56 2.96 0.02 -4.71 118.68 123.27 1mfn s LEU 84 Ca 0.49 1.44 0.08 0.00 -0.22 0.00 0.00 54.13 55.92 1mfn s LEU 84 Cb -0.09 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.03 1mfn s LEU 84 CO 0.26 -0.70 0.25 -0.63 -1.32 0.00 0.00 176.35 174.22 1mfn s ILE 85 N 3.28 3.65 0.19 6.68 1.01 -1.26 0.15 121.20 134.91 1mfn s ILE 85 Ca 0.46 -1.43 -0.18 0.00 0.00 0.00 0.00 60.65 59.51 1mfn s ILE 85 Cb -0.16 -3.20 0.03 0.00 0.01 0.00 0.00 42.46 39.14 1mfn s ILE 85 CO 0.08 -0.21 0.54 -0.83 0.00 0.00 0.00 174.94 174.52 1mfn s GLY 86 N -3.94 -0.16 -0.00 6.18 0.00 0.04 -4.95 107.32 104.49 1mfn s GLY 86 Ca 0.39 -0.14 0.07 0.00 0.00 0.00 0.00 44.72 45.04 1mfn s GLY 86 CO 0.26 -0.20 -0.22 1.20 0.00 0.00 0.00 173.10 174.14 1mfn s GLN 87 N -3.86 2.14 -0.28 2.90 -0.21 -1.26 -1.63 119.66 117.46 1mfn s GLN 87 Ca 0.08 -0.92 -0.23 0.00 0.02 0.00 0.00 55.36 54.32 1mfn s GLN 87 Cb -0.01 -2.14 0.11 0.00 1.00 0.00 0.00 33.01 31.97 1mfn s GLN 87 CO -0.04 0.56 0.91 -0.65 -2.12 0.00 0.00 175.29 173.95 1mfn s GLN 88 N -0.90 0.60 0.05 2.91 -1.52 -0.91 -4.93 119.66 114.96 1mfn s GLN 88 Ca 0.11 0.78 0.01 0.00 -1.95 0.00 0.00 55.36 54.31 1mfn s GLN 88 Cb -0.10 0.25 -0.04 0.00 -0.22 0.00 0.00 33.01 32.90 1mfn s GLN 88 CO 0.01 -0.08 0.13 0.00 -0.25 0.00 0.00 175.29 175.09 1mfn s ALA 89 N 0.57 3.73 0.27 6.09 0.00 -1.26 0.13 121.76 131.28 1mfn s ALA 89 Ca -0.01 -0.92 -0.29 0.00 0.00 0.00 0.00 51.96 50.74 1mfn s ALA 89 Cb -0.05 -1.61 -0.09 0.00 0.00 0.00 0.00 23.12 21.37 1mfn s ALA 89 CO -0.07 0.76 1.09 0.95 0.00 0.00 0.00 175.76 178.49 1mfn s THR 90 N -1.38 3.54 1.29 0.00 -4.23 0.64 -4.81 115.64 110.68 1mfn s THR 90 Ca 0.30 1.54 -0.20 0.00 -1.18 0.00 0.00 61.69 62.15 1mfn s THR 90 Cb -0.12 -3.98 0.32 0.00 1.34 0.00 0.00 72.50 70.05 1mfn s THR 90 CO 0.22 0.36 1.01 -0.69 -0.54 0.00 0.00 174.62 174.99 1mfn s VAL 91 N -1.13 1.50 0.21 2.29 1.01 -0.88 -2.03 120.40 121.38 1mfn s VAL 91 Ca 0.44 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 62.14 1mfn s VAL 91 Cb -0.31 -2.24 -0.09 0.00 0.00 0.00 0.00 36.38 33.74 1mfn s VAL 91 CO 0.40 0.00 0.90 -0.44 0.00 0.00 0.00 175.10 175.96 1mfn s SER 92 N -3.33 7.58 -0.01 3.32 0.01 -1.26 0.17 113.70 120.17 1mfn s SER 92 Ca 0.69 1.87 -0.21 0.00 1.31 0.00 0.00 55.95 59.60 1mfn s SER 92 Cb -0.14 -2.58 -0.22 0.00 0.21 0.00 0.00 66.02 63.29 1mfn s SER 92 CO 0.58 0.16 1.12 -0.78 0.41 0.00 0.00 173.24 174.73 1mfn h ASP 93 N 4.28 0.40 -3.52 2.44 1.82 -1.87 -3.34 116.42 116.63 1mfn h ASP 93 Ca -0.45 -0.72 -0.53 0.00 -0.39 0.00 0.00 57.03 54.94 1mfn h ASP 93 Cb 1.20 -0.12 -0.03 0.00 0.68 0.00 0.00 39.33 41.06 1mfn h ASP 93 CO 0.68 1.06 0.08 -0.63 -1.61 0.00 0.00 179.24 178.82 1mfn s ILE 94 N -3.37 4.61 0.00 2.25 1.01 -1.26 -4.88 121.20 119.56 1mfn s ILE 94 Ca -0.14 1.24 0.00 0.00 0.00 0.00 0.00 60.65 61.75 1mfn s ILE 94 Cb 0.03 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.64 1mfn s ILE 94 CO 0.78 0.25 0.00 -0.81 0.00 0.00 0.00 174.94 175.16 1mfn n PRO 95 N 0.83 1.13 -3.60 2.79 -0.04 -1.26 -4.87 135.00 129.98 1mfn n PRO 95 Ca -0.03 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.37 1mfn n PRO 95 Cb 0.51 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.94 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 0.00 0.34 -0.16 0.54 1.70 -1.25 -4.98 118.95 115.14 1mfn s ARG 96 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 55.73 55.21 1mfn s ARG 96 Cb 0.00 0.16 0.00 0.00 -0.57 0.00 0.00 34.95 34.54 1mfn s ARG 96 CO 0.00 -0.13 0.00 -3.47 -1.08 0.00 0.00 175.30 170.62 1mfn n ASP 97 N 0.17 -2.21 -4.56 -2.89 -0.08 -1.26 -0.89 116.55 104.83 1mfn n ASP 97 Ca -0.02 0.02 -0.39 0.00 -1.51 0.00 0.00 54.79 52.89 1mfn n ASP 97 Cb 0.59 -0.86 -0.03 0.00 2.34 0.00 0.00 41.12 43.16 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 -0.44 3.34 0.00 -2.67 2.96 -1.26 -4.16 118.68 116.45 1mfn s LEU 98 Ca 0.00 0.63 0.01 0.00 -0.22 0.00 0.00 54.13 54.56 1mfn s LEU 98 Cb 0.00 -2.66 -0.01 0.00 0.50 0.00 0.00 46.19 44.02 1mfn s LEU 98 CO 0.00 -2.39 0.05 -1.84 -1.32 0.00 0.00 176.35 170.85 1mfn n GLU 99 N 9.05 0.23 -4.26 1.98 0.28 -1.04 -4.80 120.64 122.07 1mfn n GLU 99 Ca 0.24 -0.67 -0.33 0.00 -0.16 0.00 0.00 57.16 56.25 1mfn n GLU 99 Cb 0.52 0.51 -0.09 0.00 1.43 0.00 0.00 31.44 33.81 1mfn n GLU 99 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1mfn s VAL 100 N -2.19 4.27 0.00 3.84 0.11 -1.26 -0.89 120.40 124.28 1mfn s VAL 100 Ca 0.07 -0.52 0.00 0.00 -2.93 0.00 0.00 61.98 58.60 1mfn s VAL 100 Cb 0.00 -2.90 0.00 0.00 -1.53 0.00 0.00 36.38 31.95 1mfn s VAL 100 CO 0.05 0.40 0.19 2.30 -3.33 0.00 0.00 175.10 174.71 1mfn n ILE 101 N 1.45 0.00 -3.30 7.04 -5.35 -0.26 -4.92 119.36 114.02 1mfn n ILE 101 Ca -0.15 -0.33 -0.10 0.00 -0.27 0.00 0.00 62.75 61.90 1mfn n ILE 101 Cb 0.53 1.19 -0.05 0.00 -1.74 0.00 0.00 39.64 39.57 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 -0.29 -1.14 -1.08 -1.28 0.00 -1.26 -4.91 121.76 111.80 1mfn s ALA 102 Ca 0.00 -0.46 -0.19 0.00 0.00 0.00 0.00 51.96 51.32 1mfn s ALA 102 Cb 0.00 -2.28 0.11 0.00 0.00 0.00 0.00 23.12 20.95 1mfn s ALA 102 CO 0.00 -2.12 1.39 -1.54 0.00 0.00 0.00 175.76 173.49 1mfn s SER 103 N 1.69 6.73 0.78 0.00 1.04 -1.26 -1.45 113.70 121.23 1mfn s SER 103 Ca 0.16 -2.18 -0.11 0.00 0.48 0.00 0.00 55.95 54.30 1mfn s SER 103 Cb -0.11 -2.48 0.06 0.00 0.10 0.00 0.00 66.02 63.58 1mfn s SER 103 CO -0.08 -1.13 1.09 0.42 0.98 0.00 0.00 173.24 174.52 1mfn s THR 104 N 3.32 3.31 -1.69 2.02 -4.23 0.32 -4.88 115.64 113.81 1mfn s THR 104 Ca 0.42 0.43 0.13 0.00 -1.18 0.00 0.00 61.69 61.49 1mfn s THR 104 Cb -0.01 -3.14 0.30 0.00 1.34 0.00 0.00 72.50 70.98 1mfn s THR 104 CO -0.04 -0.56 1.28 -0.81 -0.54 0.00 0.00 174.62 173.95 1mfn n PRO 105 N -3.38 0.29 -0.51 3.99 -0.04 -1.26 -2.79 135.00 131.30 1mfn n PRO 105 Ca 0.07 0.09 -0.00 0.00 -0.04 0.00 0.00 63.50 63.62 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 -3.63 0.52 -2.24 -1.26 -4.38 114.28 102.13 1mfn n THR 106 Ca 0.08 -0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.82 1mfn n THR 106 Cb 0.08 0.16 -0.01 0.00 -2.10 0.00 0.00 70.33 68.46 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 -0.33 -0.18 0.03 3.42 1.04 -1.12 -1.78 113.70 114.79 1mfn s SER 107 Ca 0.00 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1mfn s SER 107 Cb 0.00 0.31 -0.03 0.00 0.10 0.00 0.00 66.02 66.40 1mfn s SER 107 CO -0.00 -0.54 -0.04 -0.76 0.98 0.00 0.00 173.24 172.88 1mfn s LEU 108 N -2.69 2.33 -0.53 2.42 1.43 -0.86 0.12 118.68 120.90 1mfn s LEU 108 Ca 0.10 -0.67 -0.10 0.00 -1.03 0.00 0.00 54.13 52.43 1mfn s LEU 108 Cb 0.00 0.10 0.13 0.00 0.03 0.00 0.00 46.19 46.45 1mfn s LEU 108 CO -0.03 -0.39 0.42 -0.22 0.23 0.00 0.00 176.35 176.36 1mfn s LEU 109 N -1.97 5.84 0.16 1.79 0.20 -0.53 -0.97 118.68 123.20 1mfn s LEU 109 Ca -0.07 -2.03 -0.30 0.00 0.69 0.00 0.00 54.13 52.41 1mfn s LEU 109 Cb -0.04 -2.05 -0.07 0.00 -0.43 0.00 0.00 46.19 43.60 1mfn s LEU 109 CO -0.04 -0.69 1.14 0.27 -0.29 0.00 0.00 176.35 176.75 1mfn s ILE 110 N 1.19 3.83 -0.18 6.68 -4.36 -0.68 -1.10 121.20 126.57 1mfn s ILE 110 Ca 0.07 1.52 -0.02 0.00 -0.26 0.00 0.00 60.65 61.95 1mfn s ILE 110 Cb -0.25 -3.97 0.06 0.00 1.25 0.00 0.00 42.46 39.55 1mfn s ILE 110 CO -0.01 0.23 0.02 -0.55 0.24 0.00 0.00 174.94 174.87 1mfn s SER 111 N 0.17 2.83 -0.02 4.36 0.15 -0.07 -1.53 113.70 119.58 1mfn s SER 111 Ca 0.52 -0.76 0.04 0.00 0.70 0.00 0.00 55.95 56.44 1mfn s SER 111 Cb -0.30 -0.62 -0.00 0.00 -1.71 0.00 0.00 66.02 63.38 1mfn s SER 111 CO 0.34 -0.29 -0.12 -1.66 1.20 0.00 0.00 173.24 172.71 1mfn s TRP 112 N 1.84 1.19 0.08 3.44 -2.14 -1.04 -2.51 118.94 119.80 1mfn s TRP 112 Ca -0.01 -0.27 -0.36 0.00 2.66 0.00 0.00 56.10 58.12 1mfn s TRP 112 Cb -0.17 -0.79 -0.18 0.00 -3.10 0.00 0.00 33.47 29.23 1mfn s TRP 112 CO -0.08 -0.07 1.14 0.39 -2.66 0.00 0.00 176.95 175.68 1mfn n GLU 113 N 2.98 0.65 -2.50 3.25 1.02 -0.07 -4.56 120.64 121.41 1mfn n GLU 113 Ca -0.16 0.23 -0.43 0.00 -0.02 0.00 0.00 57.16 56.78 1mfn n GLU 113 Cb 0.55 -1.74 -0.02 0.00 -0.02 0.00 0.00 31.44 30.20 1mfn n GLU 113 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1mfn s PRO 114 N 0.01 3.74 0.49 3.49 0.04 -1.26 -3.97 135.00 137.53 1mfn s PRO 114 Ca 0.83 0.82 -0.19 0.00 0.04 0.00 0.00 61.00 62.51 1mfn s PRO 114 Cb -1.04 -3.92 -0.09 0.00 0.04 0.00 0.00 34.50 29.48 1mfn s PRO 114 CO 0.52 -1.36 0.99 -1.25 0.04 0.00 0.00 177.00 175.94 1mfn s PRO 115 N 4.49 3.96 -0.84 0.56 0.04 -1.26 -4.99 135.00 136.97 1mfn s PRO 115 Ca 0.53 1.10 -0.19 0.00 0.04 0.00 0.00 61.00 62.48 1mfn s PRO 115 Cb -0.11 -2.14 0.12 0.00 0.04 0.00 0.00 34.50 32.42 1mfn s PRO 115 CO 0.29 -0.26 1.03 0.00 0.04 0.00 0.00 177.00 178.10 1mfn s ALA 116 N -2.35 3.37 0.34 8.56 0.00 -1.26 -4.97 121.76 125.46 1mfn s ALA 116 Ca 0.62 -2.58 0.07 0.00 0.00 0.00 0.00 51.96 50.08 1mfn s ALA 116 Cb -0.11 -3.93 -0.03 0.00 0.00 0.00 0.00 23.12 19.05 1mfn s ALA 116 CO 0.23 -2.84 0.30 1.33 0.00 0.00 0.00 175.76 174.78 1mfn n VAL 117 N 5.49 0.00 -1.71 0.00 0.24 -1.26 0.27 118.33 121.36 1mfn n VAL 117 Ca 0.15 -2.45 -0.34 0.00 -2.04 0.00 0.00 64.34 59.66 1mfn n VAL 117 Cb 0.48 1.23 0.05 0.00 -1.47 0.00 0.00 33.84 34.13 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 -1.66 7.03 -4.68 -1.34 7.64 -1.26 -4.85 113.62 114.50 1mfn n SER 118 Ca 0.08 -3.79 -0.42 0.00 1.01 0.00 0.00 58.87 55.74 1mfn n SER 118 Cb 0.61 -0.88 -0.03 0.00 -1.01 0.00 0.00 64.21 62.91 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 -4.94 4.15 0.20 0.44 1.01 -1.26 -4.56 120.40 115.43 1mfn s VAL 119 Ca 0.58 1.47 0.06 0.00 0.00 0.00 0.00 61.98 64.08 1mfn s VAL 119 Cb 0.47 -3.95 -0.11 0.00 0.00 0.00 0.00 36.38 32.79 1mfn s VAL 119 CO -0.15 -0.02 1.46 0.03 0.00 0.00 0.00 175.10 176.42 1mfn h ARG 120 N 7.64 0.12 -2.42 2.72 3.08 -1.30 -3.42 114.38 120.79 1mfn h ARG 120 Ca -0.34 -0.12 0.10 0.00 0.07 0.00 0.00 59.98 59.69 1mfn h ARG 120 Cb 1.16 0.03 -0.13 0.00 0.08 0.00 0.00 29.97 31.11 1mfn h ARG 120 CO 0.90 0.83 0.44 1.52 -1.07 0.00 0.00 179.97 182.59 1mfn s TYR 121 N -3.35 -0.33 -0.17 3.04 -0.85 -1.08 -3.76 117.35 110.85 1mfn s TYR 121 Ca -0.02 0.14 -0.03 0.00 -0.52 0.00 0.00 57.07 56.64 1mfn s TYR 121 Cb 0.11 0.57 -0.02 0.00 0.38 0.00 0.00 41.96 43.00 1mfn s TYR 121 CO 0.80 -0.67 -0.07 0.71 -1.52 0.00 0.00 175.55 174.81 1mfn s TYR 122 N -3.27 2.94 -0.93 -3.49 1.51 -0.54 -0.20 117.35 113.37 1mfn s TYR 122 Ca 0.06 -0.60 -0.21 0.00 -1.01 0.00 0.00 57.07 55.31 1mfn s TYR 122 Cb -0.01 -1.97 0.09 0.00 -0.11 0.00 0.00 41.96 39.95 1mfn s TYR 122 CO -0.07 -0.25 1.25 0.50 -1.11 0.00 0.00 175.55 175.87 1mfn s ARG 123 N 0.71 3.52 0.13 -0.62 3.52 -1.06 -0.53 118.95 124.63 1mfn s ARG 123 Ca -0.03 -1.31 -0.25 0.00 -0.13 0.00 0.00 55.73 54.00 1mfn s ARG 123 Cb -0.15 -4.98 -0.07 0.00 -1.56 0.00 0.00 34.95 28.18 1mfn s ARG 123 CO 0.02 -1.98 0.77 0.42 -0.81 0.00 0.00 175.30 173.72 1mfn s ILE 124 N 3.94 4.46 -0.14 4.11 1.01 -0.65 -0.87 121.20 133.07 1mfn s ILE 124 Ca 0.37 1.67 -0.01 0.00 0.00 0.00 0.00 60.65 62.68 1mfn s ILE 124 Cb -0.04 -4.12 -0.02 0.00 0.01 0.00 0.00 42.46 38.29 1mfn s ILE 124 CO -0.06 0.49 -0.10 0.42 0.00 0.00 0.00 174.94 175.68 1mfn s THR 125 N -0.90 3.28 0.09 2.92 -4.23 0.39 -0.18 115.64 117.01 1mfn s THR 125 Ca 0.36 -0.58 -0.30 0.00 -1.18 0.00 0.00 61.69 59.99 1mfn s THR 125 Cb -0.22 -2.40 -0.06 0.00 1.34 0.00 0.00 72.50 71.16 1mfn s THR 125 CO 0.25 0.51 1.14 -0.31 -0.54 0.00 0.00 174.62 175.67 1mfn s TYR 126 N 0.39 3.51 -0.44 3.99 1.51 0.45 -2.28 117.35 124.48 1mfn s TYR 126 Ca -0.09 1.45 -0.14 0.00 -1.01 0.00 0.00 57.07 57.28 1mfn s TYR 126 Cb -0.15 -3.34 0.05 0.00 -0.11 0.00 0.00 41.96 38.41 1mfn s TYR 126 CO 0.05 -0.90 0.33 0.20 -1.11 0.00 0.00 175.55 174.11 1mfn s GLY 127 N 0.70 2.01 -0.06 0.71 0.00 0.53 -2.40 107.32 108.81 1mfn s GLY 127 Ca 0.55 -1.97 -0.01 0.00 0.00 0.00 0.00 44.72 43.29 1mfn s GLY 127 CO 0.31 0.98 0.00 -0.54 0.00 0.00 0.00 173.10 173.85 1mfn s GLU 128 N 1.61 2.93 0.15 2.90 2.02 -1.26 -0.38 118.70 126.67 1mfn s GLU 128 Ca 0.04 -0.46 -0.10 0.00 0.02 0.00 0.00 54.97 54.47 1mfn s GLU 128 Cb -0.22 -2.76 0.16 0.00 0.10 0.00 0.00 34.13 31.41 1mfn s GLU 128 CO 0.07 0.68 0.97 0.25 0.02 0.00 0.00 175.26 177.26 1mfn n THR 129 N 1.96 -0.32 0.00 3.63 -2.24 -0.67 -4.84 114.28 111.80 1mfn n THR 129 Ca -0.18 1.47 0.00 0.00 -2.27 0.00 0.00 64.05 63.07 1mfn n THR 129 Cb 0.53 -1.95 0.00 0.00 -2.10 0.00 0.00 70.33 66.82 1mfn n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mfn n GLY 130 N -1.31 1.64 0.00 3.38 0.00 -1.26 -5.01 105.19 102.63 1mfn n GLY 130 Ca 0.07 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 0.59 0.15 0.00 -0.02 0.00 -1.26 -4.95 105.19 99.69 1mfn n GLY 131 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.67 0.00 1.61 0.23 -1.26 -5.08 115.26 111.43 1mfn n ASN 132 Ca 0.00 -0.86 0.00 0.00 -0.53 0.00 0.00 54.58 53.19 1mfn n ASN 132 Cb 0.00 0.23 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 1mfn n ASN 132 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1mfn n SER 133 N -0.23 0.00 -3.11 0.53 3.41 -1.26 -5.17 113.62 107.78 1mfn n SER 133 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.44 1mfn n SER 133 Cb 0.02 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.09 1mfn n SER 133 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1mfn n PRO 134 N -0.21 -1.00 -1.08 4.33 -0.04 -1.26 -4.58 135.00 131.16 1mfn n PRO 134 Ca 0.00 -1.18 -0.29 0.00 -0.04 0.00 0.00 63.50 62.00 1mfn n PRO 134 Cb 0.00 -0.83 0.19 0.00 -0.04 0.00 0.00 33.50 32.82 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 -2.62 2.09 -0.29 0.52 -7.23 -1.26 -4.78 120.40 106.83 1mfn s VAL 135 Ca 0.44 0.03 0.02 0.00 -1.81 0.00 0.00 61.98 60.66 1mfn s VAL 135 Cb -0.02 -2.46 0.08 0.00 0.56 0.00 0.00 36.38 34.54 1mfn s VAL 135 CO 0.31 -0.04 -0.02 -1.10 -0.31 0.00 0.00 175.10 173.94 1mfn s GLN 136 N -4.89 1.68 -0.20 4.82 -1.52 -1.01 -4.84 119.66 113.70 1mfn s GLN 136 Ca 0.66 -1.43 -0.21 0.00 -1.95 0.00 0.00 55.36 52.42 1mfn s GLN 136 Cb -0.19 -2.85 -0.02 0.00 -0.22 0.00 0.00 33.01 29.72 1mfn s GLN 136 CO 0.59 -0.75 0.66 -2.00 -0.25 0.00 0.00 175.29 173.53 1mfn s GLU 137 N 1.14 4.22 -0.01 2.91 -6.30 -1.26 0.17 118.70 119.57 1mfn s GLU 137 Ca 0.01 0.67 0.06 0.00 -2.50 0.00 0.00 54.97 53.20 1mfn s GLU 137 Cb -0.19 -3.58 -0.02 0.00 0.00 0.00 0.00 34.13 30.34 1mfn s GLU 137 CO -0.08 -0.26 -0.19 -0.59 0.02 0.00 0.00 175.26 174.15 1mfn s PHE 138 N 1.99 1.70 0.76 5.30 -0.12 0.74 -4.96 117.98 123.40 1mfn s PHE 138 Ca 0.30 -0.33 -0.11 0.00 -0.05 0.00 0.00 56.93 56.74 1mfn s PHE 138 Cb -0.16 -1.09 0.05 0.00 -0.63 0.00 0.00 43.02 41.20 1mfn s PHE 138 CO 0.10 -0.02 1.08 0.95 -0.05 0.00 0.00 175.22 177.29 1mfn s THR 139 N -0.49 3.41 0.01 -4.49 -4.23 -1.26 -1.64 115.64 106.95 1mfn s THR 139 Ca 0.07 0.46 0.04 0.00 -1.18 0.00 0.00 61.69 61.08 1mfn s THR 139 Cb -0.07 -3.17 -0.01 0.00 1.34 0.00 0.00 72.50 70.58 1mfn s THR 139 CO -0.00 -0.60 -0.12 -0.69 -0.54 0.00 0.00 174.62 172.67 1mfn s VAL 140 N -3.09 0.91 0.27 2.29 1.01 0.31 -4.81 120.40 117.29 1mfn s VAL 140 Ca 0.60 -0.66 -0.29 0.00 0.00 0.00 0.00 61.98 61.62 1mfn s VAL 140 Cb -0.15 -0.80 -0.09 0.00 0.00 0.00 0.00 36.38 35.34 1mfn s VAL 140 CO 0.55 0.13 1.01 -2.16 0.00 0.00 0.00 175.10 174.63 1mfn s PRO 141 N -0.61 4.72 -0.13 2.72 0.04 -1.26 -1.46 135.00 139.03 1mfn s PRO 141 Ca 0.03 1.61 0.03 0.00 0.04 0.00 0.00 61.00 62.71 1mfn s PRO 141 Cb -0.06 -3.18 0.27 0.00 0.04 0.00 0.00 34.50 31.58 1mfn s PRO 141 CO 0.00 0.35 1.14 0.41 0.04 0.00 0.00 177.00 178.95 1mfn n GLY 142 N 1.26 2.47 1.89 0.56 0.00 -1.25 -4.08 105.19 106.04 1mfn n GLY 142 Ca -0.01 -0.37 -0.19 0.00 0.00 0.00 0.00 46.02 45.45 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 0.07 4.03 -3.63 1.61 3.41 -1.26 -4.97 113.62 112.89 1mfn n SER 143 Ca 0.16 -3.71 -0.03 0.00 -0.26 0.00 0.00 58.87 55.03 1mfn n SER 143 Cb 0.76 -0.77 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 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 -3.39 0.13 0.04 4.33 1.02 -1.26 -5.02 119.74 115.59 1mfn s LYS 144 Ca 0.54 -0.02 0.23 0.00 0.02 0.00 0.00 55.97 56.73 1mfn s LYS 144 Cb 0.46 0.06 -0.01 0.00 -0.52 0.00 0.00 37.83 37.82 1mfn s LYS 144 CO 0.05 -0.05 0.97 -1.13 -0.92 0.00 0.00 175.35 174.27 1mfn n SER 145 N 0.16 0.60 -4.32 2.83 3.41 -1.26 -4.87 113.62 110.16 1mfn n SER 145 Ca 0.02 -0.28 -0.32 0.00 -0.26 0.00 0.00 58.87 58.04 1mfn n SER 145 Cb 0.58 0.91 -0.16 0.00 -0.26 0.00 0.00 64.21 65.28 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 -3.20 2.24 0.33 6.66 -4.23 -1.26 -2.50 115.64 113.68 1mfn s THR 146 Ca 0.03 -1.02 0.10 0.00 -1.18 0.00 0.00 61.69 59.62 1mfn s THR 146 Cb 0.15 -1.81 -0.06 0.00 1.34 0.00 0.00 72.50 72.12 1mfn s THR 146 CO 0.82 0.58 -0.08 0.00 -0.54 0.00 0.00 174.62 175.39 1mfn s ALA 147 N -0.43 2.99 0.27 3.99 0.00 -0.58 -4.96 121.76 123.04 1mfn s ALA 147 Ca 0.04 -2.03 -0.01 0.00 0.00 0.00 0.00 51.96 49.96 1mfn s ALA 147 Cb -0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 1mfn s ALA 147 CO 0.01 0.11 0.48 -0.08 0.00 0.00 0.00 175.76 176.27 1mfn s THR 148 N -2.57 5.13 -0.45 0.00 -1.32 -1.26 -1.69 115.64 113.48 1mfn s THR 148 Ca 0.33 -0.32 0.08 0.00 -1.21 0.00 0.00 61.69 60.56 1mfn s THR 148 Cb 0.01 -3.78 0.27 0.00 -1.51 0.00 0.00 72.50 67.49 1mfn s THR 148 CO 0.17 -0.33 0.62 -0.38 -2.21 0.00 0.00 174.62 172.48 1mfn n ILE 149 N -1.10 0.18 -2.14 5.08 2.08 -0.15 -4.89 119.36 118.43 1mfn n ILE 149 Ca -0.04 -4.41 -0.28 0.00 0.56 0.00 0.00 62.75 58.58 1mfn n ILE 149 Cb 0.55 -1.73 0.05 0.00 -0.75 0.00 0.00 39.64 37.76 1mfn n ILE 149 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 1mfn s ASN 150 N -1.73 5.26 -0.08 4.38 0.01 -1.26 -2.03 114.94 119.48 1mfn s ASN 150 Ca 0.37 0.80 -0.00 0.00 -0.71 0.00 0.00 52.86 53.32 1mfn s ASN 150 Cb 0.20 -1.60 0.00 0.00 0.41 0.00 0.00 41.25 40.26 1mfn s ASN 150 CO -0.09 -1.36 0.01 -3.20 -1.51 0.00 0.00 177.10 170.95 1mfn n ASN 151 N -2.87 -1.40 -4.94 -1.22 5.15 -0.95 -4.94 115.26 104.09 1mfn n ASN 151 Ca 0.06 -0.01 -0.24 0.00 -0.60 0.00 0.00 54.58 53.80 1mfn n ASN 151 Cb 0.58 -0.72 -0.01 0.00 -0.53 0.00 0.00 39.78 39.10 1mfn n ASN 151 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1mfn s ILE 152 N -2.21 5.10 -0.25 -1.44 2.07 -0.73 -5.03 121.20 118.71 1mfn s ILE 152 Ca 0.00 -0.43 -0.09 0.00 -1.41 0.00 0.00 60.65 58.73 1mfn s ILE 152 Cb -0.00 -3.86 -0.04 0.00 0.13 0.00 0.00 42.46 38.69 1mfn s ILE 152 CO 0.01 -0.57 0.11 -0.54 -1.91 0.00 0.00 174.94 172.03 1mfn s LYS 153 N -4.33 3.78 0.40 3.50 -0.14 -1.26 -4.72 119.74 116.97 1mfn s LYS 153 Ca 0.40 -0.41 -0.23 0.00 -1.36 0.00 0.00 55.97 54.37 1mfn s LYS 153 Cb -0.10 -3.43 -0.10 0.00 -1.68 0.00 0.00 37.83 32.53 1mfn s LYS 153 CO 0.36 -0.15 0.98 -1.25 -0.76 0.00 0.00 175.35 174.54 1mfn s PRO 154 N 1.57 4.25 -0.37 -1.68 0.04 -1.26 -4.30 135.00 133.25 1mfn s PRO 154 Ca 0.06 1.31 -0.02 0.00 0.04 0.00 0.00 61.00 62.39 1mfn s PRO 154 Cb -0.15 -2.43 -0.02 0.00 0.04 0.00 0.00 34.50 31.94 1mfn s PRO 154 CO 0.06 -0.03 0.33 0.41 0.04 0.00 0.00 177.00 177.81 1mfn n GLY 155 N -0.01 0.01 0.00 0.56 0.00 0.21 -5.02 105.19 100.94 1mfn n GLY 155 Ca 0.05 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.01 0.00 -0.90 4.61 0.00 -1.25 -4.96 120.51 116.00 1mfn n ALA 156 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.07 1mfn n ALA 156 Cb 0.54 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.07 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 -4.02 -3.23 0.00 -0.08 -1.26 -2.21 116.55 105.74 1mfn n ASP 157 Ca 0.00 0.23 -0.15 0.00 -1.51 0.00 0.00 54.79 53.36 1mfn n ASP 157 Cb 0.00 -0.96 -0.04 0.00 2.34 0.00 0.00 41.12 42.46 1mfn n ASP 157 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1mfn s TYR 158 N -2.19 1.04 -0.30 -0.67 1.51 0.51 -1.67 117.35 115.58 1mfn s TYR 158 Ca 0.48 -1.28 -0.02 0.00 -1.01 0.00 0.00 57.07 55.24 1mfn s TYR 158 Cb -0.18 -0.06 0.19 0.00 -0.11 0.00 0.00 41.96 41.80 1mfn s TYR 158 CO 0.75 -1.15 0.66 0.99 -1.11 0.00 0.00 175.55 175.68 1mfn s THR 159 N -3.03 -0.91 -0.16 -0.71 2.01 0.49 -2.55 115.64 110.77 1mfn s THR 159 Ca 0.30 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 62.20 1mfn s THR 159 Cb -0.01 -0.99 -0.05 0.00 0.01 0.00 0.00 72.50 71.47 1mfn s THR 159 CO 0.20 0.00 0.18 -0.63 -0.69 0.00 0.00 174.62 173.68 1mfn s ILE 160 N 2.87 5.39 0.26 1.82 1.01 0.31 0.20 121.20 133.06 1mfn s ILE 160 Ca 0.17 0.30 0.01 0.00 0.00 0.00 0.00 60.65 61.14 1mfn s ILE 160 Cb -0.14 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 1mfn s ILE 160 CO -0.20 0.48 0.24 -0.89 0.00 0.00 0.00 174.94 174.57 1mfn s THR 161 N -0.06 0.00 -0.12 2.92 2.01 -0.97 0.90 115.64 120.31 1mfn s THR 161 Ca 0.12 -1.93 -0.30 0.00 0.31 0.00 0.00 61.69 59.90 1mfn s THR 161 Cb -0.12 -2.49 0.10 0.00 0.01 0.00 0.00 72.50 69.99 1mfn s THR 161 CO 0.02 0.00 0.83 -1.48 -0.69 0.00 0.00 174.62 173.30 1mfn s LEU 162 N -3.24 -0.54 -0.60 4.42 2.34 -0.69 -0.46 118.68 119.90 1mfn s LEU 162 Ca 0.38 0.66 0.04 0.00 0.06 0.00 0.00 54.13 55.27 1mfn s LEU 162 Cb 0.04 2.23 0.16 0.00 -0.56 0.00 0.00 46.19 48.06 1mfn s LEU 162 CO 0.18 -0.45 0.42 -0.31 -1.06 0.00 0.00 176.35 175.14 1mfn s TYR 163 N -0.95 2.85 -0.88 3.48 1.51 -0.05 -2.48 117.35 120.83 1mfn s TYR 163 Ca -0.06 -3.02 -0.28 0.00 -1.01 0.00 0.00 57.07 52.70 1mfn s TYR 163 Cb -0.01 -2.24 -0.19 0.00 -0.11 0.00 0.00 41.96 39.41 1mfn s TYR 163 CO 0.05 -0.64 2.59 0.00 -1.11 0.00 0.00 175.55 176.44 1mfn n ALA 164 N 2.38 0.47 -2.53 3.71 0.00 -1.26 -2.55 120.51 120.73 1mfn n ALA 164 Ca 0.20 -0.50 -0.38 0.00 0.00 0.00 0.00 53.44 52.75 1mfn n ALA 164 Cb 0.38 -2.53 -0.06 0.00 0.00 0.00 0.00 19.45 17.24 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 9.29 5.00 0.02 0.00 1.01 0.72 -3.66 120.40 132.78 1mfn s VAL 165 Ca 1.26 1.05 -0.03 0.00 0.00 0.00 0.00 61.98 64.26 1mfn s VAL 165 Cb -0.95 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 31.58 1mfn s VAL 165 CO 0.43 0.45 -0.06 0.35 0.00 0.00 0.00 175.10 176.27 1mfn n THR 166 N 2.64 0.92 -2.83 3.92 -2.24 -1.21 -1.15 114.28 114.32 1mfn n THR 166 Ca -0.09 0.28 -0.41 0.00 -2.27 0.00 0.00 64.05 61.56 1mfn n THR 166 Cb 0.51 -1.58 -0.05 0.00 -2.10 0.00 0.00 70.33 67.12 1mfn n THR 166 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1mfn s GLY 167 N -3.86 2.93 -0.04 3.38 0.00 -1.25 -4.17 107.32 104.31 1mfn s GLY 167 Ca -0.05 0.46 -0.00 0.00 0.00 0.00 0.00 44.72 45.13 1mfn s GLY 167 CO 0.07 1.29 0.01 0.50 0.00 0.00 0.00 173.10 174.97 1mfn s ARG 168 N -0.13 0.37 0.00 2.90 0.52 -1.26 -3.22 118.95 118.13 1mfn s ARG 168 Ca 0.43 0.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.76 1mfn s ARG 168 Cb -0.22 -0.66 0.00 0.00 0.52 0.00 0.00 34.95 34.59 1mfn s ARG 168 CO 0.27 -0.21 0.00 0.41 0.02 0.00 0.00 175.30 175.79 1mfn n GLY 169 N 4.60 0.40 0.16 -3.53 0.00 -1.26 -4.80 105.19 100.75 1mfn n GLY 169 Ca -0.17 -0.56 0.03 0.00 0.00 0.00 0.00 46.02 45.32 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 0.46 -2.76 1.61 5.75 -1.26 -4.17 116.55 116.18 1mfn n ASP 170 Ca 0.00 -1.88 -0.08 0.00 -0.01 0.00 0.00 54.79 52.82 1mfn n ASP 170 Cb 0.00 -0.05 0.05 0.00 -1.03 0.00 0.00 41.12 40.09 1mfn n ASP 170 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1mfn n SER 171 N -0.31 -2.82 -4.56 -1.12 7.64 -1.26 -5.08 113.62 106.11 1mfn n SER 171 Ca 0.06 -3.31 -0.39 0.00 1.01 0.00 0.00 58.87 56.24 1mfn n SER 171 Cb 0.09 1.78 -0.03 0.00 -1.01 0.00 0.00 64.21 65.04 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 0.64 3.26 -0.02 1.43 0.04 -1.26 -4.30 135.00 134.79 1mfn s PRO 172 Ca 0.32 -0.59 0.01 0.00 0.04 0.00 0.00 61.00 60.77 1mfn s PRO 172 Cb 0.23 -4.84 -0.03 0.00 0.04 0.00 0.00 34.50 29.89 1mfn s PRO 172 CO -0.24 -2.36 0.00 0.00 0.04 0.00 0.00 177.00 174.44 1mfn s ALA 173 N 6.12 3.28 -0.04 8.56 0.00 -1.20 -5.00 121.76 133.48 1mfn s ALA 173 Ca 0.46 -0.91 -0.02 0.00 0.00 0.00 0.00 51.96 51.49 1mfn s ALA 173 Cb -0.04 -1.37 0.03 0.00 0.00 0.00 0.00 23.12 21.73 1mfn s ALA 173 CO 0.02 0.63 0.09 -1.54 0.00 0.00 0.00 175.76 174.96 1mfn s SER 174 N -1.37 -0.05 0.97 0.00 1.04 -1.26 -3.35 113.70 109.68 1mfn s SER 174 Ca 0.18 0.18 -0.13 0.00 0.48 0.00 0.00 55.95 56.66 1mfn s SER 174 Cb -0.11 0.11 0.07 0.00 0.10 0.00 0.00 66.02 66.19 1mfn s SER 174 CO 0.08 -0.10 0.50 -1.54 0.98 0.00 0.00 173.24 173.16 1mfn n SER 175 N 3.78 -1.72 -4.48 7.02 3.41 -1.24 -4.79 113.62 115.59 1mfn n SER 175 Ca -0.22 0.28 -0.44 0.00 -0.26 0.00 0.00 58.87 58.24 1mfn n SER 175 Cb 0.54 -1.22 -0.01 0.00 -0.26 0.00 0.00 64.21 63.26 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 -2.25 0.70 -2.66 4.33 5.02 -1.26 -4.67 118.16 117.37 1mfn n LYS 176 Ca 0.07 0.25 -0.39 0.00 -2.02 0.00 0.00 58.31 56.22 1mfn n LYS 176 Cb 0.54 -1.51 -0.05 0.00 -0.02 0.00 0.00 35.03 33.98 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 -1.47 4.67 -0.09 1.97 0.04 -1.26 -4.83 135.00 134.03 1mfn s PRO 177 Ca 0.62 1.55 0.02 0.00 0.04 0.00 0.00 61.00 63.23 1mfn s PRO 177 Cb -0.69 -3.08 -0.02 0.00 0.04 0.00 0.00 34.50 30.75 1mfn s PRO 177 CO 0.58 0.31 -0.15 0.08 0.04 0.00 0.00 177.00 177.86 1mfn s VAL 178 N -1.31 2.91 0.16 -0.36 1.01 -1.04 -4.95 120.40 116.82 1mfn s VAL 178 Ca 0.46 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.72 1mfn s VAL 178 Cb -0.26 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 1mfn s VAL 178 CO 0.32 0.56 -0.05 -0.94 0.00 0.00 0.00 175.10 175.00 1mfn s SER 179 N -0.15 1.50 0.02 3.32 1.04 -1.26 -1.71 113.70 116.46 1mfn s SER 179 Ca -0.01 -1.09 -0.04 0.00 0.48 0.00 0.00 55.95 55.29 1mfn s SER 179 Cb -0.14 0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.02 1mfn s SER 179 CO 0.03 -0.46 0.05 0.27 0.98 0.00 0.00 173.24 174.11 1mfn s ILE 180 N -3.50 0.12 0.22 -1.02 -4.36 0.26 -4.96 121.20 107.96 1mfn s ILE 180 Ca 0.20 -0.98 -0.06 0.00 -0.26 0.00 0.00 60.65 59.56 1mfn s ILE 180 Cb 0.05 -0.58 -0.06 0.00 1.25 0.00 0.00 42.46 43.12 1mfn s ILE 180 CO 0.02 -0.54 0.48 0.20 0.24 0.00 0.00 174.94 175.34 1mfn s ASN 181 N -1.74 6.50 -0.10 4.36 -0.87 -1.26 -0.53 114.94 121.28 1mfn s ASN 181 Ca -0.11 0.70 -0.05 0.00 -1.57 0.00 0.00 52.86 51.83 1mfn s ASN 181 Cb -0.05 -2.13 0.05 0.00 -0.02 0.00 0.00 41.25 39.09 1mfn s ASN 181 CO -0.02 -0.08 0.25 -0.47 -2.57 0.00 0.00 177.10 174.21 1mfn s TYR 182 N -1.87 -0.33 -0.26 2.20 5.04 -1.06 -4.84 117.35 116.24 1mfn s TYR 182 Ca 0.43 0.79 -0.07 0.00 -2.44 0.00 0.00 57.07 55.78 1mfn s TYR 182 Cb -0.11 0.05 -0.02 0.00 0.35 0.00 0.00 41.96 42.22 1mfn s TYR 182 CO 0.26 -0.23 0.07 0.15 -1.34 0.00 0.00 175.55 174.46 1mfn s LYS 183 N 1.26 3.59 0.00 4.97 1.02 -1.26 0.19 119.74 129.51 1mfn s LYS 183 Ca -0.09 -0.52 0.24 0.00 0.02 0.00 0.00 55.97 55.62 1mfn s LYS 183 Cb -0.10 -3.34 0.24 0.00 -0.52 0.00 0.00 37.83 34.12 1mfn s LYS 183 CO -0.09 -0.22 1.29 0.25 -0.92 0.00 0.00 175.35 175.66