#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mfn s LEU 2 N 0.00 1.17 0.28 0.99 1.43 -1.26 -5.04 118.68 116.24 1mfn s LEU 2 Ca 0.00 0.40 -0.29 0.00 -1.03 0.00 0.00 54.13 53.21 1mfn s LEU 2 Cb 0.00 0.66 -0.10 0.00 0.03 0.00 0.00 46.19 46.79 1mfn s LEU 2 CO 0.00 -0.08 1.08 -1.81 0.23 0.00 0.00 176.35 175.77 1mfn s ASP 3 N 0.24 7.30 0.14 2.29 1.11 -1.26 -4.52 116.67 121.96 1mfn s ASP 3 Ca -0.01 2.24 -0.06 0.00 0.18 0.00 0.00 52.55 54.90 1mfn s ASP 3 Cb -0.02 -2.62 -0.06 0.00 1.07 0.00 0.00 42.92 41.28 1mfn s ASP 3 CO -0.01 -0.12 0.39 -0.55 1.18 0.00 0.00 175.17 176.06 1mfn s SER 4 N -0.92 6.51 -0.27 0.27 0.15 -1.26 -4.63 113.70 113.54 1mfn s SER 4 Ca 0.44 0.63 -0.29 0.00 0.70 0.00 0.00 55.95 57.43 1mfn s SER 4 Cb -0.31 -2.11 0.01 0.00 -1.71 0.00 0.00 66.02 61.90 1mfn s SER 4 CO 0.40 0.05 1.12 -2.16 1.20 0.00 0.00 173.24 173.85 1mfn s PRO 5 N -2.60 4.12 0.00 5.44 0.04 -1.26 -4.53 135.00 136.21 1mfn s PRO 5 Ca 0.41 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.70 1mfn s PRO 5 Cb -0.12 -3.73 0.00 0.00 0.04 0.00 0.00 34.50 30.69 1mfn s PRO 5 CO 0.24 -0.83 0.00 0.25 0.04 0.00 0.00 177.00 176.70 1mfn n THR 6 N 5.69 0.00 -2.18 1.26 -2.24 -1.18 -4.73 114.28 110.90 1mfn n THR 6 Ca 0.13 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.88 1mfn n THR 6 Cb 0.46 0.00 -0.00 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 4.80 -0.34 3.66 3.38 0.00 -1.26 -1.64 105.19 113.78 1mfn n GLY 7 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.36 1.82 -2.87 1.61 -0.00 -1.26 -3.51 117.46 110.88 1mfn n PHE 8 Ca -0.03 0.57 -0.02 0.00 -0.00 0.00 0.00 57.45 57.97 1mfn n PHE 8 Cb 0.43 -2.41 0.01 0.00 -0.00 0.00 0.00 39.48 37.51 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 2.13 -1.12 0.11 -2.13 -1.08 -0.24 -4.93 116.67 109.42 1mfn s ASP 9 Ca 0.92 -1.02 -0.25 0.00 -0.52 0.00 0.00 52.55 51.68 1mfn s ASP 9 Cb -1.00 1.45 -0.07 0.00 -1.46 0.00 0.00 42.92 41.84 1mfn s ASP 9 CO 0.56 -0.07 0.76 -0.44 0.52 0.00 0.00 175.17 176.50 1mfn s SER 10 N 1.30 7.30 0.00 -0.34 0.01 -1.26 -1.30 113.70 119.42 1mfn s SER 10 Ca 0.23 1.55 0.00 0.00 1.31 0.00 0.00 55.95 59.04 1mfn s SER 10 Cb 0.02 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.77 1mfn s SER 10 CO -0.08 0.14 0.00 -1.54 0.41 0.00 0.00 173.24 172.17 1mfn n SER 11 N 2.08 0.00 -3.36 2.44 3.41 -0.68 -4.87 113.62 112.63 1mfn n SER 11 Ca -0.05 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.35 1mfn n SER 11 Cb 0.49 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.42 1mfn n SER 11 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1mfn n ASP 12 N 0.00 -2.50 -4.76 4.04 9.92 -1.26 -0.93 116.55 121.05 1mfn n ASP 12 Ca 0.00 -0.32 -0.40 0.00 -0.53 0.00 0.00 54.79 53.54 1mfn n ASP 12 Cb 0.00 -2.14 -0.04 0.00 -0.64 0.00 0.00 41.12 38.30 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 -2.73 3.29 0.26 0.53 1.01 -1.26 -1.68 121.20 120.61 1mfn s ILE 13 Ca 0.37 1.27 0.01 0.00 0.00 0.00 0.00 60.65 62.30 1mfn s ILE 13 Cb -0.21 -3.80 -0.00 0.00 0.01 0.00 0.00 42.46 38.46 1mfn s ILE 13 CO 0.46 0.29 0.02 0.41 0.00 0.00 0.00 174.94 176.11 1mfn n THR 14 N 0.98 0.00 0.00 2.92 -1.04 0.93 -4.80 114.28 113.28 1mfn n THR 14 Ca -0.00 -1.27 0.00 0.00 -2.04 0.00 0.00 64.05 60.73 1mfn n THR 14 Cb 0.44 0.31 0.00 0.00 -1.82 0.00 0.00 70.33 69.26 1mfn n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mfn n ALA 15 N -2.10 -0.11 1.58 2.41 0.00 -1.26 -1.62 120.51 119.42 1mfn n ALA 15 Ca -0.10 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.37 1mfn n ALA 15 Cb 0.34 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.91 1mfn n ALA 15 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1mfn n ASN 16 N -1.86 0.73 -3.50 0.00 6.94 -1.26 -3.71 115.26 112.61 1mfn n ASN 16 Ca 0.00 -1.93 -0.12 0.00 -0.02 0.00 0.00 54.58 52.51 1mfn n ASN 16 Cb 0.00 -0.09 -0.03 0.00 -2.36 0.00 0.00 39.78 37.30 1mfn n ASN 16 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1mfn s SER 17 N -1.08 -0.46 -0.27 0.53 1.04 -1.25 -1.53 113.70 110.68 1mfn s SER 17 Ca 0.12 -0.06 -0.25 0.00 0.48 0.00 0.00 55.95 56.24 1mfn s SER 17 Cb 0.06 0.55 0.11 0.00 0.10 0.00 0.00 66.02 66.84 1mfn s SER 17 CO 0.09 -0.91 0.95 0.72 0.98 0.00 0.00 173.24 175.07 1mfn s PHE 18 N -3.60 -0.55 0.51 5.02 -0.12 -0.79 0.31 117.98 118.77 1mfn s PHE 18 Ca 0.01 1.31 -0.17 0.00 -0.05 0.00 0.00 56.93 58.03 1mfn s PHE 18 Cb -0.00 0.35 -0.08 0.00 -0.63 0.00 0.00 43.02 42.66 1mfn s PHE 18 CO -0.11 -0.28 0.99 0.99 -0.05 0.00 0.00 175.22 176.76 1mfn s THR 19 N 0.17 4.43 -0.13 -4.49 2.01 -0.11 -1.36 115.64 116.17 1mfn s THR 19 Ca 0.02 1.22 -0.02 0.00 0.31 0.00 0.00 61.69 63.22 1mfn s THR 19 Cb -0.05 -3.67 0.04 0.00 0.01 0.00 0.00 72.50 68.84 1mfn s THR 19 CO -0.04 -0.62 0.01 -0.69 -0.69 0.00 0.00 174.62 172.60 1mfn s VAL 20 N -2.54 0.48 0.24 3.82 1.01 -0.72 -1.69 120.40 121.00 1mfn s VAL 20 Ca 0.60 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.45 1mfn s VAL 20 Cb -0.10 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1mfn s VAL 20 CO 0.29 0.07 0.20 -1.00 0.00 0.00 0.00 175.10 174.66 1mfn s HIS 21 N 1.91 3.14 -0.29 5.22 3.76 -0.42 -1.95 115.29 126.65 1mfn s HIS 21 Ca 0.03 -0.09 -0.25 0.00 -0.15 0.00 0.00 55.06 54.60 1mfn s HIS 21 Cb -0.14 -1.43 0.17 0.00 1.11 0.00 0.00 32.58 32.29 1mfn s HIS 21 CO -0.07 0.52 1.31 1.67 -0.85 0.00 0.00 174.74 177.32 1mfn s TRP 22 N -2.06 -0.19 0.75 1.40 -2.14 -0.46 -1.08 118.94 115.15 1mfn s TRP 22 Ca 0.33 0.47 -0.11 0.00 2.66 0.00 0.00 56.10 59.44 1mfn s TRP 22 Cb -0.08 0.44 0.04 0.00 -3.10 0.00 0.00 33.47 30.77 1mfn s TRP 22 CO 0.25 -0.09 1.08 0.08 -2.66 0.00 0.00 176.95 175.60 1mfn s VAL 23 N 0.07 3.52 0.53 -0.66 1.01 -0.65 -4.68 120.40 119.53 1mfn s VAL 23 Ca 0.06 0.49 0.02 0.00 0.00 0.00 0.00 61.98 62.55 1mfn s VAL 23 Cb -0.05 -3.22 0.03 0.00 0.00 0.00 0.00 36.38 33.14 1mfn s VAL 23 CO -0.12 -0.65 0.75 0.00 0.00 0.00 0.00 175.10 175.08 1mfn s ALA 24 N -3.09 3.95 1.00 5.51 0.00 -1.26 -3.11 121.76 124.77 1mfn s ALA 24 Ca 0.60 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1mfn s ALA 24 Cb -0.14 -2.04 0.00 0.00 0.00 0.00 0.00 23.12 20.94 1mfn s ALA 24 CO 0.55 -0.68 0.00 -0.35 0.00 0.00 0.00 175.76 175.28 1mfn n PRO 25 N -2.27 1.02 0.00 0.00 -0.04 -1.26 -4.64 135.00 127.81 1mfn n PRO 25 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1mfn n PRO 25 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 1mfn n PRO 25 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1mfn n ARG 26 N 0.00 1.02 -3.92 0.54 5.12 -1.26 -5.02 116.66 113.13 1mfn n ARG 26 Ca 0.00 -0.82 -0.26 0.00 -1.93 0.00 0.00 57.85 54.84 1mfn n ARG 26 Cb 0.00 -0.73 -0.02 0.00 -1.16 0.00 0.00 32.46 30.55 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 -0.37 4.30 -0.43 7.54 0.00 -1.26 -5.06 121.76 126.48 1mfn s ALA 27 Ca 0.00 -1.35 -0.29 0.00 0.00 0.00 0.00 51.96 50.32 1mfn s ALA 27 Cb 0.00 -0.68 0.02 0.00 0.00 0.00 0.00 23.12 22.46 1mfn s ALA 27 CO 0.00 -0.38 1.27 -1.25 0.00 0.00 0.00 175.76 175.40 1mfn s PRO 28 N -4.21 3.69 0.14 0.00 0.04 -1.26 -5.00 135.00 128.40 1mfn s PRO 28 Ca 0.34 0.79 0.01 0.00 0.04 0.00 0.00 61.00 62.18 1mfn s PRO 28 Cb -0.02 -3.95 -0.00 0.00 0.04 0.00 0.00 34.50 30.57 1mfn s PRO 28 CO 0.21 -1.43 0.03 0.44 0.04 0.00 0.00 177.00 176.29 1mfn n ILE 29 N 6.86 0.00 -0.12 0.56 -5.35 -1.26 -4.80 119.36 115.25 1mfn n ILE 29 Ca 0.14 -0.75 0.00 0.00 -0.27 0.00 0.00 62.75 61.87 1mfn n ILE 29 Cb 0.48 0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.60 1mfn n ILE 29 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1mfn n THR 30 N -0.33 0.00 -0.24 7.28 -2.24 -0.60 -4.92 114.28 113.23 1mfn n THR 30 Ca -0.04 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1mfn n THR 30 Cb 0.20 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 1mfn n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mfn n GLY 31 N 0.40 -0.80 3.27 3.38 0.00 -1.24 -3.75 105.19 106.45 1mfn n GLY 31 Ca 0.00 -1.64 -0.26 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.60 1.86 -0.19 1.61 2.02 -0.10 -2.75 117.35 118.19 1mfn s TYR 32 Ca 0.00 -0.39 -0.10 0.00 -0.37 0.00 0.00 57.07 56.21 1mfn s TYR 32 Cb 0.00 -1.09 -0.05 0.00 -0.40 0.00 0.00 41.96 40.42 1mfn s TYR 32 CO 0.00 0.12 0.14 0.42 -1.57 0.00 0.00 175.55 174.66 1mfn s ILE 33 N -0.87 5.41 -0.36 2.71 1.09 0.28 -0.50 121.20 128.96 1mfn s ILE 33 Ca 0.08 0.21 -0.07 0.00 -1.10 0.00 0.00 60.65 59.77 1mfn s ILE 33 Cb -0.09 -3.48 0.05 0.00 -1.06 0.00 0.00 42.46 37.88 1mfn s ILE 33 CO 0.02 0.44 0.14 -0.63 -0.10 0.00 0.00 174.94 174.81 1mfn s ILE 34 N 0.31 3.86 -0.33 2.92 -1.09 0.30 0.16 121.20 127.33 1mfn s ILE 34 Ca 0.09 -1.20 -0.04 0.00 -2.23 0.00 0.00 60.65 57.27 1mfn s ILE 34 Cb -0.11 -3.23 0.05 0.00 -1.58 0.00 0.00 42.46 37.59 1mfn s ILE 34 CO -0.01 -0.25 0.07 -0.60 -1.23 0.00 0.00 174.94 172.91 1mfn s ARG 35 N 1.40 2.45 0.37 2.79 3.52 0.19 0.23 118.95 129.90 1mfn s ARG 35 Ca -0.00 -1.31 0.08 0.00 -0.13 0.00 0.00 55.73 54.37 1mfn s ARG 35 Cb -0.20 -3.34 -0.05 0.00 -1.56 0.00 0.00 34.95 29.80 1mfn s ARG 35 CO 0.03 -0.70 0.09 -3.38 -0.81 0.00 0.00 175.30 170.53 1mfn s HIS 36 N 1.29 2.60 0.00 5.12 -3.43 -0.74 0.24 115.29 120.37 1mfn s HIS 36 Ca -0.02 -0.48 0.00 0.00 -0.80 0.00 0.00 55.06 53.75 1mfn s HIS 36 Cb -0.20 -1.69 0.00 0.00 -1.43 0.00 0.00 32.58 29.26 1mfn s HIS 36 CO -0.00 0.35 0.00 -2.39 -2.00 0.00 0.00 174.74 170.70 1mfn n HIS 37 N -1.09 0.00 0.00 0.38 -0.00 0.28 -2.13 115.22 112.67 1mfn n HIS 37 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.69 1mfn n HIS 37 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.62 1mfn n HIS 37 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1mfn n ALA 38 N -0.07 0.00 -1.00 1.59 0.00 -1.26 -0.20 120.51 119.57 1mfn n ALA 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1mfn n ALA 38 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.50 0.00 -0.87 0.00 -0.58 -1.25 -4.36 120.64 113.09 1mfn n GLU 39 Ca 0.00 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.79 1mfn n GLU 39 Cb 0.00 -0.19 0.15 0.00 -0.57 0.00 0.00 31.44 30.83 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 0.00 -0.32 8.25 -1.26 -4.94 115.22 116.94 1mfn n HIS 40 Ca 0.00 -1.19 0.00 0.00 -0.26 0.00 0.00 57.72 56.27 1mfn n HIS 40 Cb 0.00 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 30.89 1mfn n HIS 40 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1mfn n SER 41 N -0.62 0.00 -4.80 0.41 3.41 -1.26 -4.89 113.62 105.86 1mfn n SER 41 Ca 0.15 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.43 1mfn n SER 41 Cb 0.83 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.77 1mfn n SER 41 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1mfn s VAL 42 N 0.00 3.86 -0.08 -3.33 1.01 -1.26 -5.01 120.40 115.59 1mfn s VAL 42 Ca 0.00 0.96 -0.04 0.00 0.00 0.00 0.00 61.98 62.90 1mfn s VAL 42 Cb 0.00 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.94 1mfn s VAL 42 CO 0.00 -0.44 -0.08 1.23 0.00 0.00 0.00 175.10 175.81 1mfn h GLY 43 N 0.82 0.00 -7.06 4.51 0.00 -1.99 -3.45 103.07 95.90 1mfn h GLY 43 Ca -0.48 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.28 1mfn h GLY 43 CO 0.58 0.00 1.61 0.54 0.00 0.00 0.00 176.54 179.27 1mfn n ARG 44 N -3.70 0.21 -2.60 4.80 1.74 -1.26 -4.84 116.66 111.01 1mfn n ARG 44 Ca -0.03 0.03 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 1mfn n ARG 44 Cb 0.13 -1.79 -0.05 0.00 -1.02 0.00 0.00 32.46 29.73 1mfn n ARG 44 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1mfn s PRO 45 N 7.97 4.68 0.30 5.56 0.04 -1.26 -5.02 135.00 147.27 1mfn s PRO 45 Ca 1.26 1.63 -0.28 0.00 0.04 0.00 0.00 61.00 63.65 1mfn s PRO 45 Cb -1.17 -3.28 -0.09 0.00 0.04 0.00 0.00 34.50 30.00 1mfn s PRO 45 CO 0.51 0.22 1.08 1.03 0.04 0.00 0.00 177.00 179.88 1mfn s ARG 46 N -0.66 4.55 -0.43 4.56 1.81 -0.90 -4.95 118.95 122.93 1mfn s ARG 46 Ca 0.46 1.74 0.02 0.00 -1.72 0.00 0.00 55.73 56.23 1mfn s ARG 46 Cb -0.28 -3.07 0.13 0.00 -0.45 0.00 0.00 34.95 31.29 1mfn s ARG 46 CO 0.34 0.15 0.23 -0.65 -0.68 0.00 0.00 175.30 174.70 1mfn s GLN 47 N -1.64 1.26 -0.35 3.54 -0.21 -1.26 -1.79 119.66 119.20 1mfn s GLN 47 Ca 0.47 -1.97 -0.14 0.00 0.02 0.00 0.00 55.36 53.74 1mfn s GLN 47 Cb -0.30 -2.30 -0.01 0.00 1.00 0.00 0.00 33.01 31.40 1mfn s GLN 47 CO 0.38 -1.16 0.29 -0.51 -2.12 0.00 0.00 175.29 172.17 1mfn s ASP 48 N 0.40 6.11 0.21 5.90 1.11 0.14 -4.93 116.67 125.60 1mfn s ASP 48 Ca 0.17 -0.46 -0.08 0.00 0.18 0.00 0.00 52.55 52.37 1mfn s ASP 48 Cb -0.24 -2.16 -0.07 0.00 1.07 0.00 0.00 42.92 41.52 1mfn s ASP 48 CO 0.00 -0.31 0.50 -0.13 1.18 0.00 0.00 175.17 176.42 1mfn s ARG 49 N 1.81 3.75 0.13 8.23 3.00 -1.26 -0.54 118.95 134.07 1mfn s ARG 49 Ca 0.08 0.17 0.03 0.00 0.00 0.00 0.00 55.73 56.01 1mfn s ARG 49 Cb -0.17 -2.70 -0.04 0.00 0.00 0.00 0.00 34.95 32.03 1mfn s ARG 49 CO 0.11 0.35 -0.08 0.14 0.00 0.00 0.00 175.30 175.82 1mfn s VAL 50 N -1.79 0.96 0.98 3.52 -7.23 0.35 -4.85 120.40 112.34 1mfn s VAL 50 Ca 0.46 -2.01 -0.15 0.00 -1.81 0.00 0.00 61.98 58.47 1mfn s VAL 50 Cb -0.11 -1.79 0.18 0.00 0.56 0.00 0.00 36.38 35.22 1mfn s VAL 50 CO 0.22 -0.79 1.20 -2.16 -0.31 0.00 0.00 175.10 173.26 1mfn s PRO 51 N -3.79 0.59 0.42 4.82 0.04 -1.26 -0.92 135.00 134.90 1mfn s PRO 51 Ca 0.15 -0.05 0.23 0.00 0.04 0.00 0.00 61.00 61.37 1mfn s PRO 51 Cb 0.04 -1.81 0.53 0.00 0.04 0.00 0.00 34.50 33.30 1mfn s PRO 51 CO -0.02 -2.51 1.66 -1.00 0.04 0.00 0.00 177.00 175.18 1mfn h PRO 52 N -1.72 0.00 -0.01 0.56 0.13 -1.85 -3.09 132.00 126.02 1mfn h PRO 52 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1mfn h PRO 52 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1mfn h PRO 52 CO 0.49 0.15 -0.28 0.45 -0.23 0.00 0.00 178.00 178.57 1mfn n SER 53 N -3.17 1.31 -4.49 1.44 2.88 -1.26 -4.78 113.62 105.55 1mfn n SER 53 Ca 0.02 -1.09 -0.42 0.00 -1.33 0.00 0.00 58.87 56.05 1mfn n SER 53 Cb 0.53 0.20 -0.09 0.00 -0.75 0.00 0.00 64.21 64.09 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 -2.45 3.19 0.00 -1.46 3.00 -1.17 -4.89 118.95 115.17 1mfn s ARG 54 Ca 0.24 -0.74 0.21 0.00 0.00 0.00 0.00 55.73 55.44 1mfn s ARG 54 Cb 0.19 -3.93 -0.08 0.00 0.00 0.00 0.00 34.95 31.14 1mfn s ARG 54 CO 0.51 -0.74 0.98 0.27 0.00 0.00 0.00 175.30 176.33 1mfn n ASN 55 N 5.42 1.64 -3.87 0.23 0.23 -1.26 -4.73 115.26 112.93 1mfn n ASN 55 Ca -0.09 -1.32 -0.19 0.00 -0.53 0.00 0.00 54.58 52.45 1mfn n ASN 55 Cb 0.48 0.64 -0.16 0.00 -2.08 0.00 0.00 39.78 38.66 1mfn n ASN 55 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1mfn s SER 56 N -2.54 0.73 -0.05 0.53 1.04 -1.26 -1.36 113.70 110.80 1mfn s SER 56 Ca 0.14 -0.09 0.01 0.00 0.48 0.00 0.00 55.95 56.50 1mfn s SER 56 Cb 0.17 -0.36 0.02 0.00 0.10 0.00 0.00 66.02 65.95 1mfn s SER 56 CO 0.63 -0.07 -0.06 -0.51 0.98 0.00 0.00 173.24 174.22 1mfn s ILE 57 N 0.94 0.64 -0.34 -1.02 2.07 -0.82 -4.92 121.20 117.75 1mfn s ILE 57 Ca -0.11 -0.18 -0.23 0.00 -1.41 0.00 0.00 60.65 58.72 1mfn s ILE 57 Cb -0.14 -0.65 0.01 0.00 0.13 0.00 0.00 42.46 41.80 1mfn s ILE 57 CO -0.00 0.25 0.79 -0.89 -1.91 0.00 0.00 174.94 173.17 1mfn s THR 58 N 0.92 4.75 0.46 4.00 2.01 -1.26 -1.75 115.64 124.77 1mfn s THR 58 Ca -0.11 0.99 -0.11 0.00 0.31 0.00 0.00 61.69 62.78 1mfn s THR 58 Cb -0.14 -4.19 -0.06 0.00 0.01 0.00 0.00 72.50 68.12 1mfn s THR 58 CO 0.00 -0.37 0.83 -0.76 -0.69 0.00 0.00 174.62 173.64 1mfn s LEU 59 N 3.05 3.70 0.00 4.42 1.43 -0.46 -4.86 118.68 125.96 1mfn s LEU 59 Ca 0.32 1.20 0.01 0.00 -1.03 0.00 0.00 54.13 54.63 1mfn s LEU 59 Cb -0.13 -4.12 -0.00 0.00 0.03 0.00 0.00 46.19 41.96 1mfn s LEU 59 CO 0.15 -0.51 0.36 0.35 0.23 0.00 0.00 176.35 176.93 1mfn n THR 60 N -1.67 0.00 -1.48 5.49 -2.24 -1.26 -1.89 114.28 111.23 1mfn n THR 60 Ca 0.03 -1.70 -0.16 0.00 -2.27 0.00 0.00 64.05 59.95 1mfn n THR 60 Cb 0.54 0.97 -0.07 0.00 -2.10 0.00 0.00 70.33 69.67 1mfn n THR 60 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1mfn n ASN 61 N -1.77 -4.28 -4.84 3.42 5.03 -0.58 -4.86 115.26 107.38 1mfn n ASN 61 Ca 0.03 0.40 -0.37 0.00 0.87 0.00 0.00 54.58 55.50 1mfn n ASN 61 Cb 0.50 -3.89 -0.06 0.00 -1.02 0.00 0.00 39.78 35.31 1mfn n ASN 61 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1mfn s LEU 62 N -4.16 4.41 -0.09 3.41 1.43 -0.72 -5.00 118.68 117.97 1mfn s LEU 62 Ca 0.00 0.72 -0.39 0.00 -1.03 0.00 0.00 54.13 53.43 1mfn s LEU 62 Cb 0.00 -2.37 -0.17 0.00 0.03 0.00 0.00 46.19 43.68 1mfn s LEU 62 CO 0.00 0.33 1.42 -3.20 0.23 0.00 0.00 176.35 175.13 1mfn n ASN 63 N 2.11 1.47 -4.73 2.29 4.05 -1.26 -4.13 115.26 115.07 1mfn n ASN 63 Ca -0.16 1.12 -0.41 0.00 0.45 0.00 0.00 54.58 55.58 1mfn n ASN 63 Cb 0.53 -1.09 -0.04 0.00 1.23 0.00 0.00 39.78 40.41 1mfn n ASN 63 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1mfn s PRO 64 N 1.44 4.63 -0.57 1.20 0.04 -1.24 -4.04 135.00 136.46 1mfn s PRO 64 Ca 0.91 1.58 -0.03 0.00 0.04 0.00 0.00 61.00 63.51 1mfn s PRO 64 Cb -1.10 -3.34 -0.03 0.00 0.04 0.00 0.00 34.50 30.07 1mfn s PRO 64 CO 0.57 0.12 0.51 0.41 0.04 0.00 0.00 177.00 178.65 1mfn n GLY 65 N 2.25 -0.46 3.50 0.56 0.00 0.76 -4.54 105.19 107.26 1mfn n GLY 65 Ca 0.03 0.22 -0.16 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.17 0.00 -0.16 2.61 2.01 -0.81 -4.88 115.64 111.24 1mfn s THR 66 Ca 0.20 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.91 1mfn s THR 66 Cb -0.03 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.47 1mfn s THR 66 CO 0.44 0.00 1.17 -0.70 -0.69 0.00 0.00 174.62 174.84 1mfn s GLU 67 N -1.94 4.27 -0.24 4.92 2.12 -1.26 0.19 118.70 126.76 1mfn s GLU 67 Ca -0.07 1.55 -0.00 0.00 0.36 0.00 0.00 54.97 56.81 1mfn s GLU 67 Cb -0.00 -3.68 0.03 0.00 0.26 0.00 0.00 34.13 30.74 1mfn s GLU 67 CO 0.03 -0.61 -0.08 0.71 -0.54 0.00 0.00 175.26 174.76 1mfn s TYR 68 N 3.09 3.08 -0.26 5.30 2.02 -0.71 -3.74 117.35 126.12 1mfn s TYR 68 Ca 0.51 -1.73 -0.29 0.00 -0.37 0.00 0.00 57.07 55.19 1mfn s TYR 68 Cb -0.20 -2.02 0.01 0.00 -0.40 0.00 0.00 41.96 39.35 1mfn s TYR 68 CO 0.13 -0.77 1.08 0.08 -1.57 0.00 0.00 175.55 174.50 1mfn s VAL 69 N 1.27 4.56 -0.15 0.71 1.01 0.72 -2.03 120.40 126.50 1mfn s VAL 69 Ca -0.01 1.86 -0.08 0.00 0.00 0.00 0.00 61.98 63.74 1mfn s VAL 69 Cb -0.17 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.84 1mfn s VAL 69 CO -0.05 -0.30 0.13 -0.69 0.00 0.00 0.00 175.10 174.18 1mfn s VAL 70 N 3.44 5.40 -0.32 2.92 1.01 0.26 0.10 120.40 133.21 1mfn s VAL 70 Ca 0.46 0.18 -0.02 0.00 0.00 0.00 0.00 61.98 62.60 1mfn s VAL 70 Cb -0.14 -3.40 0.06 0.00 0.00 0.00 0.00 36.38 32.90 1mfn s VAL 70 CO 0.11 0.54 0.03 -0.94 0.00 0.00 0.00 175.10 174.84 1mfn s SER 71 N -0.44 4.93 -0.27 3.32 1.04 0.65 0.20 113.70 123.14 1mfn s SER 71 Ca 0.12 -1.40 -0.22 0.00 0.48 0.00 0.00 55.95 54.93 1mfn s SER 71 Cb -0.12 -1.72 -0.01 0.00 0.10 0.00 0.00 66.02 64.27 1mfn s SER 71 CO 0.01 -0.30 0.71 -0.63 0.98 0.00 0.00 173.24 174.01 1mfn s ILE 72 N 1.22 4.91 0.25 -1.02 -1.09 0.47 0.56 121.20 126.50 1mfn s ILE 72 Ca -0.03 1.22 0.11 0.00 -2.23 0.00 0.00 60.65 59.72 1mfn s ILE 72 Cb -0.20 -4.03 -0.05 0.00 -1.58 0.00 0.00 42.46 36.61 1mfn s ILE 72 CO -0.02 -0.07 -0.12 -0.63 -1.23 0.00 0.00 174.94 172.87 1mfn s ILE 73 N 2.69 2.91 0.24 2.92 1.09 0.42 0.18 121.20 131.65 1mfn s ILE 73 Ca 0.29 -2.09 0.11 0.00 -1.10 0.00 0.00 60.65 57.87 1mfn s ILE 73 Cb -0.15 -2.51 -0.05 0.00 -1.06 0.00 0.00 42.46 38.69 1mfn s ILE 73 CO 0.09 -0.32 -0.20 0.00 -0.10 0.00 0.00 174.94 174.41 1mfn s ALA 74 N -2.25 2.70 -0.04 9.38 0.00 -1.26 0.10 121.76 130.39 1mfn s ALA 74 Ca 0.29 -1.75 -0.18 0.00 0.00 0.00 0.00 51.96 50.32 1mfn s ALA 74 Cb -0.06 -0.34 0.04 0.00 0.00 0.00 0.00 23.12 22.75 1mfn s ALA 74 CO 0.16 0.35 0.40 0.14 0.00 0.00 0.00 175.76 176.81 1mfn s VAL 75 N -2.13 0.04 -0.31 0.00 -7.23 -1.11 -3.18 120.40 106.47 1mfn s VAL 75 Ca 0.26 -0.31 0.15 0.00 -1.81 0.00 0.00 61.98 60.27 1mfn s VAL 75 Cb -0.06 -0.69 0.47 0.00 0.56 0.00 0.00 36.38 36.66 1mfn s VAL 75 CO 0.13 -0.17 1.09 -3.20 -0.31 0.00 0.00 175.10 172.65 1mfn n ASN 76 N 1.45 2.96 0.00 4.85 5.15 -1.26 -1.56 115.26 126.85 1mfn n ASN 76 Ca -0.20 -2.93 0.00 0.00 -0.60 0.00 0.00 54.58 50.85 1mfn n ASN 76 Cb 0.56 -0.45 0.00 0.00 -0.53 0.00 0.00 39.78 39.36 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 -0.48 0.87 0.12 8.20 0.00 -1.26 -4.16 105.19 108.48 1mfn n GLY 77 Ca 0.23 -0.68 0.02 0.00 0.00 0.00 0.00 46.02 45.58 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 0.59 -0.14 1.61 0.00 -1.26 -5.02 116.66 112.44 1mfn n ARG 78 Ca 0.00 -0.60 0.00 0.00 -0.00 0.00 0.00 57.85 57.25 1mfn n ARG 78 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 32.46 31.46 1mfn n ARG 78 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1mfn n GLU 79 N -0.01 1.68 -3.85 -0.14 2.13 -1.26 -5.13 120.64 114.05 1mfn n GLU 79 Ca 0.02 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.76 1mfn n GLU 79 Cb 0.08 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.79 1mfn n GLU 79 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1mfn s GLU 80 N 0.56 1.96 0.24 5.31 2.02 -1.26 -4.22 118.70 123.31 1mfn s GLU 80 Ca 0.00 -1.21 0.01 0.00 0.02 0.00 0.00 54.97 53.80 1mfn s GLU 80 Cb 0.00 0.60 -0.00 0.00 0.10 0.00 0.00 34.13 34.83 1mfn s GLU 80 CO 0.00 -0.90 0.28 0.45 0.02 0.00 0.00 175.26 175.11 1mfn n SER 81 N -0.86 -0.77 -4.74 -0.19 2.88 -1.19 -4.21 113.62 104.54 1mfn n SER 81 Ca -0.05 -2.41 -0.41 0.00 -1.33 0.00 0.00 58.87 54.67 1mfn n SER 81 Cb 0.60 1.53 -0.04 0.00 -0.75 0.00 0.00 64.21 65.54 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 -2.72 4.67 -0.62 -1.46 0.04 -1.26 -4.63 135.00 129.02 1mfn s PRO 82 Ca 0.23 1.62 -0.28 0.00 0.04 0.00 0.00 61.00 62.62 1mfn s PRO 82 Cb 0.00 -3.30 0.02 0.00 0.04 0.00 0.00 34.50 31.27 1mfn s PRO 82 CO 0.17 0.19 1.31 -1.25 0.04 0.00 0.00 177.00 177.46 1mfn s PRO 83 N -0.50 3.33 -1.00 0.56 0.04 -1.26 -4.35 135.00 131.82 1mfn s PRO 83 Ca 0.47 0.20 -0.23 0.00 0.04 0.00 0.00 61.00 61.49 1mfn s PRO 83 Cb -0.27 -4.11 0.06 0.00 0.04 0.00 0.00 34.50 30.22 1mfn s PRO 83 CO 0.34 -1.92 1.41 -1.17 0.04 0.00 0.00 177.00 175.69 1mfn s LEU 84 N 5.66 3.64 0.37 -3.56 2.96 0.48 -4.79 118.68 123.45 1mfn s LEU 84 Ca 0.45 -1.46 -0.01 0.00 -0.22 0.00 0.00 54.13 52.89 1mfn s LEU 84 Cb -0.09 -2.55 -0.03 0.00 0.50 0.00 0.00 46.19 44.02 1mfn s LEU 84 CO 0.22 -1.48 0.59 -0.63 -1.32 0.00 0.00 176.35 173.74 1mfn s ILE 85 N 4.78 5.06 0.24 6.68 1.01 -1.26 -0.40 121.20 137.31 1mfn s ILE 85 Ca 0.44 -0.32 -0.15 0.00 0.00 0.00 0.00 60.65 60.62 1mfn s ILE 85 Cb -0.01 -3.86 0.01 0.00 0.01 0.00 0.00 42.46 38.61 1mfn s ILE 85 CO -0.09 -0.61 0.53 -0.83 0.00 0.00 0.00 174.94 173.94 1mfn s GLY 86 N -4.02 0.24 -0.03 6.18 0.00 0.13 -4.90 107.32 104.92 1mfn s GLY 86 Ca 0.41 -0.59 0.06 0.00 0.00 0.00 0.00 44.72 44.60 1mfn s GLY 86 CO 0.38 -0.44 -0.21 1.20 0.00 0.00 0.00 173.10 174.03 1mfn s GLN 87 N -3.96 2.30 0.00 2.90 -0.21 -1.26 -0.58 119.66 118.85 1mfn s GLN 87 Ca 0.16 -0.82 0.00 0.00 0.02 0.00 0.00 55.36 54.72 1mfn s GLN 87 Cb -0.02 -2.20 0.00 0.00 1.00 0.00 0.00 33.01 31.80 1mfn s GLN 87 CO 0.05 0.59 0.00 0.94 -2.12 0.00 0.00 175.29 174.75 1mfn n GLN 88 N 2.38 0.06 -3.66 2.91 -0.06 -0.86 -4.93 117.38 113.22 1mfn n GLN 88 Ca -0.17 0.00 -0.08 0.00 -2.00 0.00 0.00 57.00 54.75 1mfn n GLN 88 Cb 0.52 0.00 -0.08 0.00 -4.06 0.00 0.00 30.24 26.61 1mfn n GLN 88 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1mfn s ALA 89 N -2.00 -1.57 0.37 1.69 0.00 -1.26 -1.74 121.76 117.25 1mfn s ALA 89 Ca 0.00 2.08 -0.24 0.00 0.00 0.00 0.00 51.96 53.80 1mfn s ALA 89 Cb 0.00 -1.27 -0.10 0.00 0.00 0.00 0.00 23.12 21.75 1mfn s ALA 89 CO 0.00 -0.38 0.97 0.95 0.00 0.00 0.00 175.76 177.31 1mfn s THR 90 N 1.64 4.13 0.78 0.00 -4.23 0.51 -4.83 115.64 113.65 1mfn s THR 90 Ca -0.09 1.61 -0.11 0.00 -1.18 0.00 0.00 61.69 61.91 1mfn s THR 90 Cb -0.07 -3.82 0.06 0.00 1.34 0.00 0.00 72.50 70.01 1mfn s THR 90 CO -0.17 -0.01 1.09 -0.69 -0.54 0.00 0.00 174.62 174.29 1mfn s VAL 91 N -1.77 3.30 0.48 2.29 1.01 -0.64 -1.92 120.40 123.15 1mfn s VAL 91 Ca 0.55 0.42 -0.23 0.00 0.00 0.00 0.00 61.98 62.73 1mfn s VAL 91 Cb -0.17 -3.12 -0.07 0.00 0.00 0.00 0.00 36.38 33.02 1mfn s VAL 91 CO 0.22 -0.55 1.21 -0.94 0.00 0.00 0.00 175.10 175.04 1mfn s SER 92 N -3.79 5.96 -0.24 3.32 1.04 -1.26 0.27 113.70 119.00 1mfn s SER 92 Ca 0.60 2.42 -0.09 0.00 0.48 0.00 0.00 55.95 59.37 1mfn s SER 92 Cb -0.15 -2.61 -0.17 0.00 0.10 0.00 0.00 66.02 63.19 1mfn s SER 92 CO 0.55 -1.07 -0.12 -0.67 0.98 0.00 0.00 173.24 172.91 1mfn n ASP 93 N -0.59 1.98 -4.84 7.02 -0.08 -1.26 -3.94 116.55 114.83 1mfn n ASP 93 Ca 0.08 0.17 -0.36 0.00 -1.51 0.00 0.00 54.79 53.17 1mfn n ASP 93 Cb 0.47 -0.71 -0.06 0.00 2.34 0.00 0.00 41.12 43.16 1mfn n ASP 93 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1mfn s ILE 94 N -2.50 4.93 -1.48 5.18 1.01 -1.26 -4.85 121.20 122.22 1mfn s ILE 94 Ca -0.34 0.82 -0.13 0.00 0.00 0.00 0.00 60.65 61.00 1mfn s ILE 94 Cb 0.10 -3.74 0.02 0.00 0.01 0.00 0.00 42.46 38.86 1mfn s ILE 94 CO 0.58 0.38 2.33 -0.81 0.00 0.00 0.00 174.94 177.42 1mfn n PRO 95 N 1.22 2.99 0.00 2.79 -0.04 -1.26 -4.77 135.00 135.93 1mfn n PRO 95 Ca -0.09 -2.57 0.00 0.00 -0.04 0.00 0.00 63.50 60.81 1mfn n PRO 95 Cb 0.52 -3.21 0.00 0.00 -0.04 0.00 0.00 33.50 30.77 1mfn n PRO 95 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1mfn n ARG 96 N 5.68 0.36 -0.98 0.54 1.74 -1.26 -4.16 116.66 118.59 1mfn n ARG 96 Ca 0.56 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.64 1mfn n ARG 96 Cb 0.37 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.81 1mfn n ARG 96 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1mfn n ASP 97 N -1.10 -5.03 -4.55 0.55 8.00 -1.26 0.20 116.55 113.36 1mfn n ASP 97 Ca 0.00 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.15 1mfn n ASP 97 Cb 0.00 -2.76 -0.03 0.00 -0.02 0.00 0.00 41.12 38.31 1mfn n ASP 97 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1mfn s LEU 98 N 0.00 3.35 0.08 0.64 2.96 -1.14 -4.04 118.68 120.52 1mfn s LEU 98 Ca 0.00 0.87 0.00 0.00 -0.22 0.00 0.00 54.13 54.78 1mfn s LEU 98 Cb 0.00 -2.51 -0.04 0.00 0.50 0.00 0.00 46.19 44.14 1mfn s LEU 98 CO 0.00 -2.89 -0.05 -1.61 -1.32 0.00 0.00 176.35 170.48 1mfn s GLU 99 N 8.13 0.73 0.21 1.98 2.02 -0.95 -4.89 118.70 125.92 1mfn s GLU 99 Ca 0.92 -1.28 -0.28 0.00 0.02 0.00 0.00 54.97 54.35 1mfn s GLU 99 Cb -0.16 -0.01 -0.09 0.00 0.10 0.00 0.00 34.13 33.97 1mfn s GLU 99 CO 0.23 -0.06 0.89 0.54 0.02 0.00 0.00 175.26 176.88 1mfn s VAL 100 N -3.75 4.18 0.00 2.63 0.11 -1.26 -2.49 120.40 119.82 1mfn s VAL 100 Ca 0.09 1.96 0.00 0.00 -2.93 0.00 0.00 61.98 61.11 1mfn s VAL 100 Cb 0.06 -4.27 0.00 0.00 -1.53 0.00 0.00 36.38 30.65 1mfn s VAL 100 CO -0.07 0.50 0.36 2.30 -3.33 0.00 0.00 175.10 174.86 1mfn n ILE 101 N 1.58 0.12 -3.01 7.04 -5.35 -0.47 -4.96 119.36 114.31 1mfn n ILE 101 Ca -0.03 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1mfn n ILE 101 Cb 0.48 1.34 -0.00 0.00 -1.74 0.00 0.00 39.64 39.72 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 -0.12 -3.02 -0.81 -1.28 0.00 -1.26 -4.89 121.76 110.39 1mfn s ALA 102 Ca 0.00 0.45 -0.24 0.00 0.00 0.00 0.00 51.96 52.17 1mfn s ALA 102 Cb 0.00 -2.83 0.05 0.00 0.00 0.00 0.00 23.12 20.35 1mfn s ALA 102 CO 0.00 -2.31 1.24 0.45 0.00 0.00 0.00 175.76 175.14 1mfn s SER 103 N 1.72 6.30 0.60 0.00 0.15 -1.26 -1.74 113.70 119.46 1mfn s SER 103 Ca 0.18 -0.98 -0.08 0.00 0.70 0.00 0.00 55.95 55.76 1mfn s SER 103 Cb -0.01 -2.52 -0.01 0.00 -1.71 0.00 0.00 66.02 61.78 1mfn s SER 103 CO -0.09 -1.59 0.94 0.42 1.20 0.00 0.00 173.24 174.12 1mfn s THR 104 N 4.87 4.11 -1.68 6.45 -4.23 0.21 -4.92 115.64 120.44 1mfn s THR 104 Ca 0.35 0.31 0.12 0.00 -1.18 0.00 0.00 61.69 61.29 1mfn s THR 104 Cb -0.08 -3.63 0.27 0.00 1.34 0.00 0.00 72.50 70.40 1mfn s THR 104 CO 0.05 -0.72 1.24 -0.81 -0.54 0.00 0.00 174.62 173.84 1mfn n PRO 105 N -2.63 0.27 -0.64 3.99 -0.04 -1.26 -2.81 135.00 131.87 1mfn n PRO 105 Ca 0.04 0.10 -0.01 0.00 -0.04 0.00 0.00 63.50 63.59 1mfn n PRO 105 Cb 0.56 -1.50 -0.01 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 -1.16 0.00 -3.84 0.52 -2.24 -1.26 -4.46 114.28 101.84 1mfn n THR 106 Ca 0.07 -0.04 -0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1mfn n THR 106 Cb 0.07 0.20 0.01 0.00 -2.10 0.00 0.00 70.33 68.51 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 -0.41 -0.03 0.04 3.42 1.04 -1.12 -1.98 113.70 114.66 1mfn s SER 107 Ca 0.01 -0.36 -0.19 0.00 0.48 0.00 0.00 55.95 55.89 1mfn s SER 107 Cb 0.02 0.30 0.04 0.00 0.10 0.00 0.00 66.02 66.48 1mfn s SER 107 CO -0.01 -0.59 0.43 -0.76 0.98 0.00 0.00 173.24 173.29 1mfn s LEU 108 N -3.38 0.32 -0.33 2.42 1.02 -0.79 0.65 118.68 118.58 1mfn s LEU 108 Ca 0.21 0.04 -0.11 0.00 0.02 0.00 0.00 54.13 54.30 1mfn s LEU 108 Cb 0.00 1.80 -0.00 0.00 0.02 0.00 0.00 46.19 48.01 1mfn s LEU 108 CO 0.01 -0.67 0.19 -0.76 0.02 0.00 0.00 176.35 175.14 1mfn s LEU 109 N -1.96 4.35 -0.17 1.79 1.43 -0.71 -2.03 118.68 121.38 1mfn s LEU 109 Ca -0.06 -0.58 -0.07 0.00 -1.03 0.00 0.00 54.13 52.39 1mfn s LEU 109 Cb -0.01 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 1mfn s LEU 109 CO -0.02 -0.24 0.06 0.27 0.23 0.00 0.00 176.35 176.65 1mfn s ILE 110 N 1.64 4.82 -0.07 -0.59 -4.36 -0.82 -1.36 121.20 120.45 1mfn s ILE 110 Ca 0.05 -0.03 0.04 0.00 -0.26 0.00 0.00 60.65 60.45 1mfn s ILE 110 Cb -0.18 -3.15 -0.00 0.00 1.25 0.00 0.00 42.46 40.38 1mfn s ILE 110 CO 0.08 0.49 -0.20 -0.44 0.24 0.00 0.00 174.94 175.10 1mfn s SER 111 N 0.14 2.55 0.24 4.36 0.01 -1.04 0.11 113.70 120.07 1mfn s SER 111 Ca 0.05 -0.44 0.01 0.00 1.31 0.00 0.00 55.95 56.88 1mfn s SER 111 Cb -0.12 -0.95 -0.05 0.00 0.21 0.00 0.00 66.02 65.11 1mfn s SER 111 CO 0.00 0.15 0.10 -1.66 0.41 0.00 0.00 173.24 172.24 1mfn s TRP 112 N 0.22 1.41 -0.10 2.43 -2.14 0.68 -2.24 118.94 119.19 1mfn s TRP 112 Ca -0.11 -1.22 -0.29 0.00 2.66 0.00 0.00 56.10 57.13 1mfn s TRP 112 Cb -0.15 -0.79 -0.04 0.00 -3.10 0.00 0.00 33.47 29.39 1mfn s TRP 112 CO 0.05 -0.41 1.54 -1.21 -2.66 0.00 0.00 176.95 174.26 1mfn s GLU 113 N -4.06 4.15 -0.42 3.25 0.41 0.53 -4.67 118.70 117.89 1mfn s GLU 113 Ca 0.37 1.99 -0.29 0.00 -0.41 0.00 0.00 54.97 56.63 1mfn s GLU 113 Cb 0.07 -3.93 0.02 0.00 -1.78 0.00 0.00 34.13 28.51 1mfn s GLU 113 CO 0.12 -0.86 1.25 -1.25 -0.49 0.00 0.00 175.26 174.03 1mfn s PRO 114 N 3.97 3.73 0.99 0.39 0.04 -1.26 -4.12 135.00 138.73 1mfn s PRO 114 Ca 0.68 0.82 -0.16 0.00 0.04 0.00 0.00 61.00 62.38 1mfn s PRO 114 Cb -0.29 -3.93 0.21 0.00 0.04 0.00 0.00 34.50 30.53 1mfn s PRO 114 CO 0.25 -1.37 1.28 -1.25 0.04 0.00 0.00 177.00 175.96 1mfn s PRO 115 N 4.51 0.40 -0.05 0.56 0.04 -1.26 -4.84 135.00 134.36 1mfn s PRO 115 Ca 0.53 -0.32 0.08 0.00 0.04 0.00 0.00 61.00 61.33 1mfn s PRO 115 Cb -0.11 -1.81 0.14 0.00 0.04 0.00 0.00 34.50 32.76 1mfn s PRO 115 CO 0.29 -2.59 1.09 0.00 0.04 0.00 0.00 177.00 175.83 1mfn n ALA 116 N -3.91 2.14 -1.52 8.56 0.00 -1.25 -4.97 120.51 119.56 1mfn n ALA 116 Ca 0.14 -1.59 -0.29 0.00 0.00 0.00 0.00 53.44 51.71 1mfn n ALA 116 Cb 0.59 -0.19 0.14 0.00 0.00 0.00 0.00 19.45 20.00 1mfn n ALA 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1mfn s VAL 117 N -1.68 1.99 -0.78 0.00 -7.23 -1.26 -4.61 120.40 106.82 1mfn s VAL 117 Ca 0.14 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 60.20 1mfn s VAL 117 Cb 0.11 -2.74 -0.09 0.00 0.56 0.00 0.00 36.38 34.23 1mfn s VAL 117 CO 0.03 0.00 1.95 -1.20 -0.31 0.00 0.00 175.10 175.57 1mfn n SER 118 N -3.82 3.71 -4.63 4.85 7.64 -1.26 -4.86 113.62 115.25 1mfn n SER 118 Ca 0.07 -2.41 -0.43 0.00 1.01 0.00 0.00 58.87 57.11 1mfn n SER 118 Cb 0.59 -1.04 -0.02 0.00 -1.01 0.00 0.00 64.21 62.73 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 4.10 4.08 -0.07 0.44 1.01 -1.26 -4.39 120.40 124.31 1mfn s VAL 119 Ca 0.42 1.22 -0.23 0.00 0.00 0.00 0.00 61.98 63.40 1mfn s VAL 119 Cb 0.11 -4.08 -0.18 0.00 0.00 0.00 0.00 36.38 32.22 1mfn s VAL 119 CO 0.02 -0.43 0.86 -0.09 0.00 0.00 0.00 175.10 175.46 1mfn h ARG 120 N 9.46 -0.09 -1.90 2.72 2.43 0.34 -3.45 114.38 123.88 1mfn h ARG 120 Ca -0.27 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 58.94 1mfn h ARG 120 Cb 1.11 0.02 -0.20 0.00 -0.42 0.00 0.00 29.97 30.48 1mfn h ARG 120 CO 1.03 0.48 0.41 1.52 -1.51 0.00 0.00 179.97 181.90 1mfn s TYR 121 N -3.11 -0.46 -0.08 2.20 -0.85 -0.87 -4.27 117.35 109.91 1mfn s TYR 121 Ca -0.14 0.69 -0.16 0.00 -0.52 0.00 0.00 57.07 56.95 1mfn s TYR 121 Cb -0.00 0.46 -0.05 0.00 0.38 0.00 0.00 41.96 42.75 1mfn s TYR 121 CO 0.54 -0.49 0.40 0.71 -1.52 0.00 0.00 175.55 175.20 1mfn s TYR 122 N -1.63 3.60 -0.67 -3.49 1.51 -0.87 0.63 117.35 116.42 1mfn s TYR 122 Ca -0.03 0.87 -0.14 0.00 -1.01 0.00 0.00 57.07 56.75 1mfn s TYR 122 Cb -0.00 -2.39 0.17 0.00 -0.11 0.00 0.00 41.96 39.63 1mfn s TYR 122 CO 0.02 0.39 0.61 0.50 -1.11 0.00 0.00 175.55 175.96 1mfn s ARG 123 N -0.16 3.22 0.16 -0.62 3.52 0.38 -0.59 118.95 124.87 1mfn s ARG 123 Ca 0.23 -2.11 -0.22 0.00 -0.13 0.00 0.00 55.73 53.49 1mfn s ARG 123 Cb -0.15 -4.30 -0.08 0.00 -1.56 0.00 0.00 34.95 28.86 1mfn s ARG 123 CO 0.10 -1.29 0.71 0.42 -0.81 0.00 0.00 175.30 174.43 1mfn s ILE 124 N 0.82 4.52 -0.15 4.11 1.01 -0.93 -0.68 121.20 129.89 1mfn s ILE 124 Ca 0.11 1.45 -0.01 0.00 0.00 0.00 0.00 60.65 62.20 1mfn s ILE 124 Cb -0.20 -3.99 -0.01 0.00 0.01 0.00 0.00 42.46 38.27 1mfn s ILE 124 CO -0.03 0.43 -0.11 0.42 0.00 0.00 0.00 174.94 175.64 1mfn s THR 125 N -1.27 3.09 -0.32 2.92 -4.23 0.43 -1.18 115.64 115.09 1mfn s THR 125 Ca 0.37 -0.63 -0.29 0.00 -1.18 0.00 0.00 61.69 59.96 1mfn s THR 125 Cb -0.20 -2.32 -0.00 0.00 1.34 0.00 0.00 72.50 71.31 1mfn s THR 125 CO 0.23 0.50 1.36 -0.31 -0.54 0.00 0.00 174.62 175.86 1mfn s TYR 126 N 0.62 2.56 -0.27 3.99 1.51 0.67 -2.34 117.35 124.09 1mfn s TYR 126 Ca -0.06 0.79 -0.10 0.00 -1.01 0.00 0.00 57.07 56.68 1mfn s TYR 126 Cb -0.15 -4.00 -0.04 0.00 -0.11 0.00 0.00 41.96 37.65 1mfn s TYR 126 CO 0.03 -1.91 0.16 0.20 -1.11 0.00 0.00 175.55 172.91 1mfn s GLY 127 N 3.21 1.88 0.55 0.71 0.00 0.30 -2.96 107.32 111.00 1mfn s GLY 127 Ca 0.59 -1.11 -0.09 0.00 0.00 0.00 0.00 44.72 44.11 1mfn s GLY 127 CO 0.26 0.62 0.75 1.18 0.00 0.00 0.00 173.10 175.91 1mfn n GLU 128 N 5.02 -0.72 -0.45 2.90 -0.58 -1.26 0.26 120.64 125.82 1mfn n GLU 128 Ca -0.15 -1.16 0.40 0.00 -0.42 0.00 0.00 57.16 55.84 1mfn n GLU 128 Cb 0.52 -0.77 0.67 0.00 -0.57 0.00 0.00 31.44 31.29 1mfn n GLU 128 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 1mfn h THR 129 N -1.42 0.06 0.00 2.62 1.35 0.33 -3.33 112.91 112.52 1mfn h THR 129 Ca -0.24 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1mfn h THR 129 Cb 0.67 0.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.16 1mfn h THR 129 CO 0.17 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.05 1mfn n GLY 130 N -1.81 0.22 2.08 5.82 0.00 -1.26 -4.64 105.19 105.60 1mfn n GLY 130 Ca 0.33 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 4.40 -3.49 0.01 -0.02 0.00 -1.25 -4.82 105.19 100.02 1mfn n GLY 131 Ca 0.00 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.24 1mfn n GLY 131 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mfn n ASN 132 N 0.32 0.73 0.00 1.61 4.13 -1.26 -4.92 115.26 115.87 1mfn n ASN 132 Ca 0.00 -0.57 0.00 0.00 1.68 0.00 0.00 54.58 55.69 1mfn n ASN 132 Cb 0.01 0.53 0.00 0.00 -1.54 0.00 0.00 39.78 38.78 1mfn n ASN 132 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1mfn n SER 133 N -1.46 0.00 -4.78 6.41 7.64 -1.26 -5.13 113.62 115.05 1mfn n SER 133 Ca 0.05 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.56 1mfn n SER 133 Cb 0.34 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.48 1mfn n SER 133 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1mfn s PRO 134 N 0.00 4.46 0.00 1.43 0.04 -1.26 -5.01 135.00 134.67 1mfn s PRO 134 Ca 0.00 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1mfn s PRO 134 Cb 0.00 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.82 1mfn s PRO 134 CO 0.00 0.15 0.00 1.55 0.04 0.00 0.00 177.00 178.74 1mfn n VAL 135 N 0.36 0.00 -2.76 -0.36 3.14 -1.26 -4.80 118.33 112.65 1mfn n VAL 135 Ca 0.03 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.07 1mfn n VAL 135 Cb 0.50 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.22 1mfn n VAL 135 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 1mfn s GLN 136 N 0.49 4.24 0.05 1.45 -0.21 -1.16 -4.82 119.66 119.71 1mfn s GLN 136 Ca 0.00 1.21 -0.04 0.00 0.02 0.00 0.00 55.36 56.55 1mfn s GLN 136 Cb 0.00 -2.31 -0.02 0.00 1.00 0.00 0.00 33.01 31.68 1mfn s GLN 136 CO 0.00 -0.03 0.06 -1.21 -2.12 0.00 0.00 175.29 171.99 1mfn s GLU 137 N -2.93 0.64 -0.22 2.91 8.01 -1.26 0.24 118.70 126.09 1mfn s GLU 137 Ca 0.60 -0.97 -0.16 0.00 0.01 0.00 0.00 54.97 54.45 1mfn s GLU 137 Cb -0.12 0.24 0.06 0.00 -4.31 0.00 0.00 34.13 30.00 1mfn s GLU 137 CO 0.17 -0.15 0.55 -0.59 0.01 0.00 0.00 175.26 175.24 1mfn s PHE 138 N -3.34 -0.71 0.82 1.61 -0.12 -0.33 -4.93 117.98 110.97 1mfn s PHE 138 Ca 0.01 1.59 -0.12 0.00 -0.05 0.00 0.00 56.93 58.37 1mfn s PHE 138 Cb 0.03 0.32 0.08 0.00 -0.63 0.00 0.00 43.02 42.83 1mfn s PHE 138 CO -0.08 -0.36 1.10 0.95 -0.05 0.00 0.00 175.22 176.78 1mfn s THR 139 N 0.89 2.92 0.00 -4.49 -4.23 -1.26 -2.19 115.64 107.27 1mfn s THR 139 Ca -0.05 0.30 0.02 0.00 -1.18 0.00 0.00 61.69 60.78 1mfn s THR 139 Cb -0.05 -3.01 -0.01 0.00 1.34 0.00 0.00 72.50 70.77 1mfn s THR 139 CO -0.07 -0.39 -0.05 -0.69 -0.54 0.00 0.00 174.62 172.87 1mfn s VAL 140 N -3.14 0.41 0.40 2.29 1.01 0.24 -4.88 120.40 116.74 1mfn s VAL 140 Ca 0.61 -0.30 -0.23 0.00 0.00 0.00 0.00 61.98 62.06 1mfn s VAL 140 Cb -0.15 -0.37 -0.09 0.00 0.00 0.00 0.00 36.38 35.77 1mfn s VAL 140 CO 0.54 0.07 1.02 -2.16 0.00 0.00 0.00 175.10 174.57 1mfn s PRO 141 N -0.26 4.18 -0.19 2.72 0.04 -1.26 -2.06 135.00 138.17 1mfn s PRO 141 Ca 0.01 1.43 -0.00 0.00 0.04 0.00 0.00 61.00 62.47 1mfn s PRO 141 Cb -0.03 -2.48 0.16 0.00 0.04 0.00 0.00 34.50 32.20 1mfn s PRO 141 CO -0.00 -0.12 1.82 0.41 0.04 0.00 0.00 177.00 179.15 1mfn n GLY 142 N 0.18 3.36 0.64 0.56 0.00 -1.26 -3.90 105.19 104.77 1mfn n GLY 142 Ca 0.05 -0.63 0.09 0.00 0.00 0.00 0.00 46.02 45.53 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 0.53 2.30 -3.71 1.61 3.41 -1.26 -4.98 113.62 111.52 1mfn n SER 143 Ca 0.20 -1.65 -0.12 0.00 -0.26 0.00 0.00 58.87 57.04 1mfn n SER 143 Cb 0.64 0.11 -0.07 0.00 -0.26 0.00 0.00 64.21 64.63 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 -1.60 0.85 0.00 4.33 1.02 -1.25 -5.02 119.74 118.07 1mfn s LYS 144 Ca 0.19 -0.42 0.24 0.00 0.02 0.00 0.00 55.97 56.01 1mfn s LYS 144 Cb 0.15 0.38 0.78 0.00 -0.52 0.00 0.00 37.83 38.61 1mfn s LYS 144 CO 0.27 -0.28 1.58 0.43 -0.92 0.00 0.00 175.35 176.43 1mfn n SER 145 N 0.59 1.90 -4.31 2.83 7.64 -1.26 -4.87 113.62 116.14 1mfn n SER 145 Ca -0.19 -1.68 -0.24 0.00 1.01 0.00 0.00 58.87 57.77 1mfn n SER 145 Cb 0.59 -0.07 -0.12 0.00 -1.01 0.00 0.00 64.21 63.61 1mfn n SER 145 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1mfn s THR 146 N -1.87 1.80 0.51 0.44 -4.23 -1.26 -0.23 115.64 110.80 1mfn s THR 146 Ca 0.35 -1.67 0.02 0.00 -1.18 0.00 0.00 61.69 59.21 1mfn s THR 146 Cb 0.20 -1.68 -0.01 0.00 1.34 0.00 0.00 72.50 72.35 1mfn s THR 146 CO 0.30 -0.11 0.08 0.00 -0.54 0.00 0.00 174.62 174.34 1mfn s ALA 147 N -1.39 4.15 -0.33 3.99 0.00 0.30 -4.93 121.76 123.55 1mfn s ALA 147 Ca 0.10 -0.59 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 1mfn s ALA 147 Cb -0.09 -0.11 0.11 0.00 0.00 0.00 0.00 23.12 23.03 1mfn s ALA 147 CO 0.05 -0.10 0.14 0.99 0.00 0.00 0.00 175.76 176.84 1mfn s THR 148 N -2.85 0.79 -0.92 0.00 2.01 -1.26 -1.95 115.64 111.45 1mfn s THR 148 Ca 0.12 -1.56 -0.24 0.00 0.31 0.00 0.00 61.69 60.32 1mfn s THR 148 Cb 0.01 -1.59 0.04 0.00 0.01 0.00 0.00 72.50 70.96 1mfn s THR 148 CO 0.07 -0.75 1.44 -0.63 -0.69 0.00 0.00 174.62 174.06 1mfn s ILE 149 N 1.40 3.82 0.56 1.82 1.09 -0.86 -4.91 121.20 124.13 1mfn s ILE 149 Ca 0.12 -0.38 0.09 0.00 -1.10 0.00 0.00 60.65 59.38 1mfn s ILE 149 Cb -0.19 -4.93 0.08 0.00 -1.06 0.00 0.00 42.46 36.36 1mfn s ILE 149 CO -0.20 -1.84 0.73 0.20 -0.10 0.00 0.00 174.94 173.74 1mfn s ASN 150 N 4.88 5.06 -1.14 3.58 0.01 -1.26 -1.89 114.94 124.17 1mfn s ASN 150 Ca 0.45 -0.88 -0.06 0.00 -0.71 0.00 0.00 52.86 51.66 1mfn s ASN 150 Cb -0.03 0.28 -0.03 0.00 0.41 0.00 0.00 41.25 41.87 1mfn s ASN 150 CO -0.02 -1.29 0.89 0.59 -1.51 0.00 0.00 177.10 175.76 1mfn n ASN 151 N -2.17 -4.46 -4.73 -1.22 5.03 -1.01 -4.92 115.26 101.80 1mfn n ASN 151 Ca 0.13 -0.75 -0.23 0.00 0.87 0.00 0.00 54.58 54.60 1mfn n ASN 151 Cb 0.62 -4.76 -0.06 0.00 -1.02 0.00 0.00 39.78 34.55 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 -3.44 3.10 -0.42 2.41 2.07 -0.84 -5.04 121.20 119.05 1mfn s ILE 152 Ca 0.28 -1.71 -0.18 0.00 -1.41 0.00 0.00 60.65 57.62 1mfn s ILE 152 Cb -0.05 -2.97 0.02 0.00 0.13 0.00 0.00 42.46 39.59 1mfn s ILE 152 CO 0.77 -0.21 0.51 -0.75 -1.91 0.00 0.00 174.94 173.34 1mfn s LYS 153 N -3.83 3.18 0.25 3.50 2.20 -1.26 -4.80 119.74 118.99 1mfn s LYS 153 Ca 0.37 -0.61 -0.30 0.00 -0.36 0.00 0.00 55.97 55.07 1mfn s LYS 153 Cb -0.03 -3.95 -0.09 0.00 -1.51 0.00 0.00 37.83 32.24 1mfn s LYS 153 CO 0.22 -0.89 1.03 -1.25 -0.36 0.00 0.00 175.35 174.10 1mfn s PRO 154 N 2.37 4.73 0.00 4.03 0.04 -1.26 -4.45 135.00 140.46 1mfn s PRO 154 Ca 0.16 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1mfn s PRO 154 Cb -0.16 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1mfn s PRO 154 CO 0.15 0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.93 1mfn n GLY 155 N 1.38 0.83 0.00 0.56 0.00 -1.25 -5.05 105.19 101.65 1mfn n GLY 155 Ca -0.01 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1mfn n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mfn n ALA 156 N -0.31 0.00 -0.79 4.61 0.00 -0.92 -4.98 120.51 118.13 1mfn n ALA 156 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1mfn n ALA 156 Cb 0.11 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.68 1mfn n ALA 156 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1mfn n ASP 157 N 0.00 -2.71 -0.47 0.00 -0.08 -1.26 -2.25 116.55 109.78 1mfn n ASP 157 Ca 0.00 -0.03 0.00 0.00 -1.51 0.00 0.00 54.79 53.25 1mfn n ASP 157 Cb 0.00 -0.84 0.00 0.00 2.34 0.00 0.00 41.12 42.62 1mfn n ASP 157 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1mfn n TYR 158 N -4.00 -0.16 -3.15 -0.67 4.02 0.11 0.26 117.16 113.57 1mfn n TYR 158 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.95 1mfn n TYR 158 Cb 0.65 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.96 1mfn n TYR 158 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1mfn s THR 159 N -1.98 -0.26 -0.31 -0.72 2.01 0.74 -2.54 115.64 112.57 1mfn s THR 159 Ca 0.00 0.00 -0.14 0.00 0.31 0.00 0.00 61.69 61.86 1mfn s THR 159 Cb 0.00 -0.65 -0.03 0.00 0.01 0.00 0.00 72.50 71.84 1mfn s THR 159 CO 0.00 0.00 0.32 -0.63 -0.69 0.00 0.00 174.62 173.62 1mfn s ILE 160 N 2.96 5.21 0.30 1.82 1.01 0.13 0.11 121.20 132.74 1mfn s ILE 160 Ca 0.12 0.15 0.11 0.00 0.00 0.00 0.00 60.65 61.02 1mfn s ILE 160 Cb -0.06 -3.73 -0.06 0.00 0.01 0.00 0.00 42.46 38.63 1mfn s ILE 160 CO -0.16 0.04 -0.16 -0.89 0.00 0.00 0.00 174.94 173.77 1mfn s THR 161 N 1.94 2.34 -0.06 2.92 2.01 -0.99 -0.68 115.64 123.12 1mfn s THR 161 Ca 0.11 -2.32 -0.25 0.00 0.31 0.00 0.00 61.69 59.53 1mfn s THR 161 Cb -0.16 -2.41 0.06 0.00 0.01 0.00 0.00 72.50 69.99 1mfn s THR 161 CO 0.11 -0.34 0.57 -1.48 -0.69 0.00 0.00 174.62 172.79 1mfn s LEU 162 N -3.53 -0.20 0.30 4.42 2.34 -0.90 0.16 118.68 121.27 1mfn s LEU 162 Ca 0.31 0.62 0.11 0.00 0.06 0.00 0.00 54.13 55.22 1mfn s LEU 162 Cb -0.02 2.13 -0.06 0.00 -0.56 0.00 0.00 46.19 47.68 1mfn s LEU 162 CO 0.15 -0.51 -0.16 -0.31 -1.06 0.00 0.00 176.35 174.46 1mfn s TYR 163 N -1.02 2.29 -0.38 3.48 1.51 0.15 -2.63 117.35 120.75 1mfn s TYR 163 Ca -0.10 -0.41 -0.02 0.00 -1.01 0.00 0.00 57.07 55.52 1mfn s TYR 163 Cb -0.02 -1.12 0.10 0.00 -0.11 0.00 0.00 41.96 40.81 1mfn s TYR 163 CO 0.07 0.64 0.16 0.00 -1.11 0.00 0.00 175.55 175.31 1mfn s ALA 164 N -2.59 3.08 0.42 3.71 0.00 -1.26 0.15 121.76 125.27 1mfn s ALA 164 Ca 0.30 -2.37 -0.22 0.00 0.00 0.00 0.00 51.96 49.67 1mfn s ALA 164 Cb -0.02 -2.30 -0.10 0.00 0.00 0.00 0.00 23.12 20.70 1mfn s ALA 164 CO 0.15 -1.68 0.98 0.08 0.00 0.00 0.00 175.76 175.29 1mfn s VAL 165 N 1.16 4.15 0.25 0.00 1.01 0.20 -1.85 120.40 125.32 1mfn s VAL 165 Ca 0.06 1.44 0.00 0.00 0.00 0.00 0.00 61.98 63.48 1mfn s VAL 165 Cb -0.22 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1mfn s VAL 165 CO -0.04 -0.19 0.00 0.35 0.00 0.00 0.00 175.10 175.23 1mfn n THR 166 N -0.45 0.30 -0.65 3.92 -2.24 -1.25 0.26 114.28 114.17 1mfn n THR 166 Ca 0.06 0.10 -0.32 0.00 -2.27 0.00 0.00 64.05 61.63 1mfn n THR 166 Cb 0.52 -0.77 0.18 0.00 -2.10 0.00 0.00 70.33 68.17 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 1.99 -2.35 0.00 3.38 0.00 -1.26 -4.39 105.19 102.56 1mfn n GLY 167 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1mfn n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mfn n ARG 168 N -2.51 1.43 0.00 1.61 3.00 -1.26 -4.48 116.66 114.46 1mfn n ARG 168 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.86 1mfn n ARG 168 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.06 1mfn n ARG 168 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1mfn n GLY 169 N 2.04 1.53 0.17 -0.13 0.00 -1.26 -3.75 105.19 103.79 1mfn n GLY 169 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1mfn n GLY 169 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mfn n ASP 170 N 5.91 0.00 -2.85 1.61 2.03 -1.26 -4.96 116.55 117.03 1mfn n ASP 170 Ca 0.00 -1.26 -0.10 0.00 0.52 0.00 0.00 54.79 53.95 1mfn n ASP 170 Cb 0.00 -0.05 0.02 0.00 -0.72 0.00 0.00 41.12 40.36 1mfn n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1mfn n SER 171 N 0.00 -2.50 -2.38 1.67 7.64 -1.25 -5.14 113.62 111.67 1mfn n SER 171 Ca 0.00 -3.07 -0.05 0.00 1.01 0.00 0.00 58.87 56.76 1mfn n SER 171 Cb 0.55 1.35 0.04 0.00 -1.01 0.00 0.00 64.21 65.13 1mfn n SER 171 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1mfn n PRO 172 N 2.01 -0.41 -1.07 1.43 -0.04 -1.26 -4.73 135.00 130.93 1mfn n PRO 172 Ca 0.14 -0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1mfn n PRO 172 Cb 0.59 -0.23 0.00 0.00 -0.04 0.00 0.00 33.50 33.82 1mfn n PRO 172 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mfn n ALA 173 N -3.17 0.00 -3.15 0.55 0.00 -1.26 -4.84 120.51 108.64 1mfn n ALA 173 Ca -0.04 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.45 1mfn n ALA 173 Cb 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.54 1mfn n ALA 173 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1mfn s SER 174 N -0.19 -1.10 1.11 0.00 1.04 -1.25 -3.85 113.70 109.46 1mfn s SER 174 Ca 0.00 0.46 -0.20 0.00 0.48 0.00 0.00 55.95 56.69 1mfn s SER 174 Cb 0.00 1.83 0.07 0.00 0.10 0.00 0.00 66.02 68.02 1mfn s SER 174 CO 0.00 -0.20 -0.16 -1.54 0.98 0.00 0.00 173.24 172.32 1mfn n SER 175 N 5.40 -2.44 -4.66 7.02 3.41 -0.77 -4.64 113.62 116.93 1mfn n SER 175 Ca 0.00 -0.11 -0.60 0.00 -0.26 0.00 0.00 58.87 57.91 1mfn n SER 175 Cb 0.53 -0.91 -0.08 0.00 -0.26 0.00 0.00 64.21 63.49 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 -1.58 0.62 -2.64 4.33 4.01 -1.26 -4.27 118.16 117.37 1mfn n LYS 176 Ca 0.00 0.23 -0.40 0.00 -0.51 0.00 0.00 58.31 57.63 1mfn n LYS 176 Cb 0.64 -1.82 -0.05 0.00 -0.51 0.00 0.00 35.03 33.28 1mfn n LYS 176 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1mfn s PRO 177 N 2.19 4.73 -0.04 1.97 0.04 -1.26 -4.72 135.00 137.92 1mfn s PRO 177 Ca 0.96 1.60 0.05 0.00 0.04 0.00 0.00 61.00 63.65 1mfn s PRO 177 Cb -1.21 -3.19 -0.00 0.00 0.04 0.00 0.00 34.50 30.14 1mfn s PRO 177 CO 0.65 0.36 -0.18 0.08 0.04 0.00 0.00 177.00 177.96 1mfn s VAL 178 N -1.21 1.50 0.39 -0.36 1.01 -1.08 -4.98 120.40 115.67 1mfn s VAL 178 Ca 0.43 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.71 1mfn s VAL 178 Cb -0.28 -1.28 -0.07 0.00 0.00 0.00 0.00 36.38 34.75 1mfn s VAL 178 CO 0.35 0.43 0.03 -0.55 0.00 0.00 0.00 175.10 175.36 1mfn s SER 179 N -0.00 3.39 0.01 3.32 0.15 -1.26 -2.11 113.70 117.20 1mfn s SER 179 Ca -0.03 -1.40 -0.18 0.00 0.70 0.00 0.00 55.95 55.04 1mfn s SER 179 Cb -0.12 -0.22 0.03 0.00 -1.71 0.00 0.00 66.02 64.01 1mfn s SER 179 CO 0.02 -0.54 0.39 0.27 1.20 0.00 0.00 173.24 174.58 1mfn s ILE 180 N -2.92 0.05 0.27 6.45 -4.36 0.15 -4.95 121.20 115.89 1mfn s ILE 180 Ca 0.33 -0.45 0.01 0.00 -0.26 0.00 0.00 60.65 60.28 1mfn s ILE 180 Cb 0.09 -0.84 -0.04 0.00 1.25 0.00 0.00 42.46 42.92 1mfn s ILE 180 CO 0.16 -0.25 0.46 0.20 0.24 0.00 0.00 174.94 175.75 1mfn s ASN 181 N -1.70 6.34 0.23 4.36 0.01 -1.26 0.22 114.94 123.14 1mfn s ASN 181 Ca -0.09 0.37 -0.00 0.00 -0.71 0.00 0.00 52.86 52.43 1mfn s ASN 181 Cb -0.02 -2.00 -0.03 0.00 0.41 0.00 0.00 41.25 39.61 1mfn s ASN 181 CO 0.01 -0.15 0.19 -0.47 -1.51 0.00 0.00 177.10 175.17 1mfn s TYR 182 N -2.08 1.20 -0.22 2.20 5.04 -1.05 -4.78 117.35 117.67 1mfn s TYR 182 Ca 0.38 -1.38 -0.04 0.00 -2.44 0.00 0.00 57.07 53.60 1mfn s TYR 182 Cb -0.10 -0.52 0.10 0.00 0.35 0.00 0.00 41.96 41.79 1mfn s TYR 182 CO 0.32 -0.72 0.22 0.21 -1.34 0.00 0.00 175.55 174.24 1mfn s LYS 183 N -3.99 0.21 0.00 4.97 2.36 -1.26 0.05 119.74 122.08 1mfn s LYS 183 Ca 0.38 0.11 0.25 0.00 -2.55 0.00 0.00 55.97 54.16 1mfn s LYS 183 Cb 0.05 -1.15 0.47 0.00 -1.05 0.00 0.00 37.83 36.16 1mfn s LYS 183 CO 0.15 -0.73 1.42 0.25 1.55 0.00 0.00 175.35 177.99