#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 -4.71 0.99 4.32 -1.26 -5.05 117.00 111.29 1mfn n LEU 2 Ca 0.00 0.00 -0.25 0.00 -0.02 0.00 0.00 56.01 55.74 1mfn n LEU 2 Cb 0.00 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 41.72 1mfn n LEU 2 CO 0.00 0.00 -0.19 -1.81 -1.22 0.00 0.00 177.39 174.17 1mfn s ASP 3 N 0.38 4.29 -0.28 -1.43 1.11 -1.26 -4.99 116.67 114.49 1mfn s ASP 3 Ca 0.00 -1.14 -0.16 0.00 0.18 0.00 0.00 52.55 51.43 1mfn s ASP 3 Cb 0.00 -0.46 -0.03 0.00 1.07 0.00 0.00 42.92 43.50 1mfn s ASP 3 CO 0.00 -0.51 0.42 -0.94 1.18 0.00 0.00 175.17 175.32 1mfn s SER 4 N -3.86 6.30 -1.05 0.27 1.04 -1.26 -4.65 113.70 110.49 1mfn s SER 4 Ca 0.40 0.28 -0.23 0.00 0.48 0.00 0.00 55.95 56.88 1mfn s SER 4 Cb 0.05 -2.23 0.03 0.00 0.10 0.00 0.00 66.02 63.97 1mfn s SER 4 CO 0.21 -0.25 1.60 -2.16 0.98 0.00 0.00 173.24 173.63 1mfn s PRO 5 N 2.16 3.43 0.00 4.02 0.04 -1.26 -4.67 135.00 138.71 1mfn s PRO 5 Ca 0.17 -1.11 0.00 0.00 0.04 0.00 0.00 61.00 60.09 1mfn s PRO 5 Cb -0.16 -5.33 0.00 0.00 0.04 0.00 0.00 34.50 29.05 1mfn s PRO 5 CO 0.10 -2.49 0.00 0.25 0.04 0.00 0.00 177.00 174.90 1mfn n THR 6 N 7.02 0.00 -2.01 1.26 -2.24 -1.24 -4.24 114.28 112.84 1mfn n THR 6 Ca 0.37 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 62.09 1mfn n THR 6 Cb 0.49 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.71 1mfn n THR 6 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mfn n GLY 7 N 4.98 -0.12 3.65 3.38 0.00 -1.26 0.49 105.19 116.30 1mfn n GLY 7 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.39 2.07 -3.53 1.61 7.35 -1.26 -3.03 117.46 118.28 1mfn n PHE 8 Ca -0.07 0.41 -0.12 0.00 -0.76 0.00 0.00 57.45 56.91 1mfn n PHE 8 Cb 0.43 -2.46 -0.04 0.00 0.35 0.00 0.00 39.48 37.75 1mfn n PHE 8 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1mfn s ASP 9 N 0.54 -0.46 -0.01 -2.13 2.15 -0.56 -4.88 116.67 111.32 1mfn s ASP 9 Ca 0.75 0.33 0.01 0.00 0.43 0.00 0.00 52.55 54.07 1mfn s ASP 9 Cb -0.71 0.42 -0.00 0.00 -0.30 0.00 0.00 42.92 42.32 1mfn s ASP 9 CO 0.45 -0.55 -0.04 -0.94 -0.17 0.00 0.00 175.17 173.91 1mfn s SER 10 N -1.68 0.55 0.00 -0.34 1.04 -1.26 0.22 113.70 112.22 1mfn s SER 10 Ca -0.02 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.33 1mfn s SER 10 Cb -0.01 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.03 1mfn s SER 10 CO -0.01 0.04 0.00 -1.54 0.98 0.00 0.00 173.24 172.72 1mfn n SER 11 N 3.07 0.00 -3.70 7.02 3.41 -0.93 -4.92 113.62 117.57 1mfn n SER 11 Ca -0.14 -0.56 -0.26 0.00 -0.26 0.00 0.00 58.87 57.65 1mfn n SER 11 Cb 0.58 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.49 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 -0.56 -2.06 -4.74 4.04 9.92 -1.26 -1.07 116.55 120.82 1mfn n ASP 12 Ca 0.00 -0.56 -0.41 0.00 -0.53 0.00 0.00 54.79 53.29 1mfn n ASP 12 Cb 0.00 -1.79 -0.03 0.00 -0.64 0.00 0.00 41.12 38.66 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 -2.83 2.80 0.48 0.53 -1.09 -1.26 -1.66 121.20 118.16 1mfn s ILE 13 Ca 0.50 0.66 0.02 0.00 -2.23 0.00 0.00 60.65 59.60 1mfn s ILE 13 Cb -0.29 -3.42 -0.01 0.00 -1.58 0.00 0.00 42.46 37.17 1mfn s ILE 13 CO 0.62 0.10 0.07 0.41 -1.23 0.00 0.00 174.94 174.90 1mfn n THR 14 N 2.62 0.00 0.00 2.92 -1.04 0.73 -4.58 114.28 114.93 1mfn n THR 14 Ca 0.07 -2.45 0.00 0.00 -2.04 0.00 0.00 64.05 59.64 1mfn n THR 14 Cb 0.41 0.66 0.00 0.00 -1.82 0.00 0.00 70.33 69.58 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 -1.20 -0.08 1.67 2.41 0.00 -1.25 0.53 120.51 122.60 1mfn n ALA 15 Ca -0.19 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.37 1mfn n ALA 15 Cb 0.64 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.83 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 -1.10 0.00 -3.81 0.00 6.94 -1.26 -3.69 115.26 112.34 1mfn n ASN 16 Ca 0.00 -0.90 -0.10 0.00 -0.02 0.00 0.00 54.58 53.56 1mfn n ASN 16 Cb 0.00 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.36 1mfn n ASN 16 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1mfn s SER 17 N -1.93 -0.06 -0.28 0.53 0.15 -1.25 -1.52 113.70 109.33 1mfn s SER 17 Ca 0.37 -0.60 -0.25 0.00 0.70 0.00 0.00 55.95 56.17 1mfn s SER 17 Cb 0.17 0.45 0.11 0.00 -1.71 0.00 0.00 66.02 65.04 1mfn s SER 17 CO 0.28 -0.87 0.98 0.72 1.20 0.00 0.00 173.24 175.55 1mfn s PHE 18 N -3.88 -0.53 0.54 3.44 -0.12 -0.83 0.26 117.98 116.86 1mfn s PHE 18 Ca 0.09 1.29 -0.10 0.00 -0.05 0.00 0.00 56.93 58.16 1mfn s PHE 18 Cb 0.03 0.35 -0.05 0.00 -0.63 0.00 0.00 43.02 42.72 1mfn s PHE 18 CO -0.06 -0.25 0.92 0.99 -0.05 0.00 0.00 175.22 176.76 1mfn s THR 19 N 0.27 4.76 0.18 -4.49 2.01 -0.23 -1.31 115.64 116.83 1mfn s THR 19 Ca 0.03 0.67 0.01 0.00 0.31 0.00 0.00 61.69 62.71 1mfn s THR 19 Cb -0.05 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 1mfn s THR 19 CO -0.05 -0.93 0.05 -0.69 -0.69 0.00 0.00 174.62 172.31 1mfn s VAL 20 N -2.88 0.40 0.17 3.82 1.01 0.33 -2.19 120.40 121.06 1mfn s VAL 20 Ca 0.53 -1.97 -0.10 0.00 0.00 0.00 0.00 61.98 60.44 1mfn s VAL 20 Cb -0.11 -2.26 -0.00 0.00 0.00 0.00 0.00 36.38 34.01 1mfn s VAL 20 CO 0.46 -0.31 0.32 -1.00 0.00 0.00 0.00 175.10 174.56 1mfn s HIS 21 N -3.85 0.35 -0.29 5.22 3.76 0.59 -2.00 115.29 119.05 1mfn s HIS 21 Ca 0.29 -0.71 -0.25 0.00 -0.15 0.00 0.00 55.06 54.24 1mfn s HIS 21 Cb 0.07 -0.00 0.18 0.00 1.11 0.00 0.00 32.58 33.94 1mfn s HIS 21 CO 0.06 -0.75 1.38 1.67 -0.85 0.00 0.00 174.74 176.25 1mfn s TRP 22 N -3.96 -0.11 0.87 1.40 -2.14 -0.54 -1.50 118.94 112.96 1mfn s TRP 22 Ca 0.17 0.27 -0.12 0.00 2.66 0.00 0.00 56.10 59.07 1mfn s TRP 22 Cb 0.03 0.47 0.11 0.00 -3.10 0.00 0.00 33.47 30.98 1mfn s TRP 22 CO 0.00 -0.06 1.12 0.08 -2.66 0.00 0.00 176.95 175.43 1mfn s VAL 23 N -0.05 2.48 0.40 -0.66 1.01 0.18 -4.72 120.40 119.04 1mfn s VAL 23 Ca 0.07 0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.28 1mfn s VAL 23 Cb -0.05 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.46 1mfn s VAL 23 CO -0.14 -0.20 0.45 0.00 0.00 0.00 0.00 175.10 175.21 1mfn s ALA 24 N -3.19 4.23 1.00 5.51 0.00 -1.26 -3.68 121.76 124.37 1mfn s ALA 24 Ca 0.63 -1.72 0.00 0.00 0.00 0.00 0.00 51.96 50.87 1mfn s ALA 24 Cb -0.15 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.62 1mfn s ALA 24 CO 0.54 -0.19 0.00 -0.35 0.00 0.00 0.00 175.76 175.76 1mfn n PRO 25 N -1.65 1.24 -0.63 0.00 -0.04 -1.26 -4.64 135.00 128.02 1mfn n PRO 25 Ca 0.04 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.52 1mfn n PRO 25 Cb 0.60 0.00 0.20 0.00 -0.04 0.00 0.00 33.50 34.26 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 1.74 -4.06 0.54 1.74 -1.26 -4.99 116.66 110.37 1mfn n ARG 26 Ca 0.00 -3.16 -0.10 0.00 -0.77 0.00 0.00 57.85 53.82 1mfn n ARG 26 Cb 0.00 -1.71 -0.08 0.00 -1.02 0.00 0.00 32.46 29.65 1mfn n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mfn s ALA 27 N -3.19 0.42 -1.00 7.54 0.00 -1.26 -5.01 121.76 119.25 1mfn s ALA 27 Ca 0.40 -1.19 -0.23 0.00 0.00 0.00 0.00 51.96 50.94 1mfn s ALA 27 Cb 0.38 1.00 0.03 0.00 0.00 0.00 0.00 23.12 24.52 1mfn s ALA 27 CO -0.02 -0.62 1.54 -1.25 0.00 0.00 0.00 175.76 175.40 1mfn s PRO 28 N -4.03 3.42 0.18 0.00 0.04 -1.26 -4.98 135.00 128.36 1mfn s PRO 28 Ca 0.24 -0.99 -0.01 0.00 0.04 0.00 0.00 61.00 60.28 1mfn s PRO 28 Cb 0.05 -5.31 0.04 0.00 0.04 0.00 0.00 34.50 29.31 1mfn s PRO 28 CO 0.04 -2.41 0.24 0.44 0.04 0.00 0.00 177.00 175.35 1mfn n ILE 29 N 7.05 0.00 0.38 0.56 -5.35 -1.26 -5.02 119.36 115.73 1mfn n ILE 29 Ca 0.34 -0.29 0.04 0.00 -0.27 0.00 0.00 62.75 62.58 1mfn n ILE 29 Cb 0.50 -1.50 -0.01 0.00 -1.74 0.00 0.00 39.64 36.89 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 -1.95 0.00 0.00 7.28 -2.24 -1.04 -4.77 114.28 111.56 1mfn n THR 30 Ca 0.04 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1mfn n THR 30 Cb 0.13 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 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 0.91 2.63 3.33 3.38 0.00 -1.23 -3.54 105.19 110.66 1mfn n GLY 31 Ca 0.03 -1.84 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.77 2.23 -0.67 1.61 1.51 -0.64 -2.22 117.35 117.40 1mfn s TYR 32 Ca 0.00 -0.41 -0.26 0.00 -1.01 0.00 0.00 57.07 55.39 1mfn s TYR 32 Cb 0.00 -1.34 0.04 0.00 -0.11 0.00 0.00 41.96 40.55 1mfn s TYR 32 CO 0.00 0.11 1.17 0.42 -1.11 0.00 0.00 175.55 176.15 1mfn s ILE 33 N -0.79 3.96 -0.58 2.71 -1.09 0.51 -1.24 121.20 124.67 1mfn s ILE 33 Ca 0.11 0.36 -0.26 0.00 -2.23 0.00 0.00 60.65 58.63 1mfn s ILE 33 Cb -0.10 -4.80 0.04 0.00 -1.58 0.00 0.00 42.46 36.02 1mfn s ILE 33 CO 0.02 -1.61 1.07 -0.63 -1.23 0.00 0.00 174.94 172.56 1mfn s ILE 34 N 5.10 4.19 0.16 2.92 -1.09 0.56 -1.69 121.20 131.36 1mfn s ILE 34 Ca 0.34 0.52 0.04 0.00 -2.23 0.00 0.00 60.65 59.32 1mfn s ILE 34 Cb -0.10 -4.65 -0.04 0.00 -1.58 0.00 0.00 42.46 36.10 1mfn s ILE 34 CO 0.17 -1.27 0.21 -0.60 -1.23 0.00 0.00 174.94 172.22 1mfn s ARG 35 N 4.48 3.16 -0.07 2.79 3.52 0.09 0.20 118.95 133.11 1mfn s ARG 35 Ca 0.35 -0.75 -0.05 0.00 -0.13 0.00 0.00 55.73 55.15 1mfn s ARG 35 Cb -0.10 -2.79 0.03 0.00 -1.56 0.00 0.00 34.95 30.52 1mfn s ARG 35 CO 0.21 0.49 0.18 -3.38 -0.81 0.00 0.00 175.30 172.00 1mfn s HIS 36 N -1.77 -0.21 -0.29 5.12 -3.43 -1.07 0.17 115.29 113.81 1mfn s HIS 36 Ca 0.33 0.53 -0.16 0.00 -0.80 0.00 0.00 55.06 54.95 1mfn s HIS 36 Cb -0.10 0.04 0.13 0.00 -1.43 0.00 0.00 32.58 31.22 1mfn s HIS 36 CO 0.26 -0.13 0.93 -3.38 -2.00 0.00 0.00 174.74 170.42 1mfn s HIS 37 N 0.48 -0.66 0.31 0.38 -0.00 0.28 -3.26 115.29 112.81 1mfn s HIS 37 Ca -0.03 1.32 -0.05 0.00 -0.00 0.00 0.00 55.06 56.29 1mfn s HIS 37 Cb -0.05 0.39 0.08 0.00 -0.00 0.00 0.00 32.58 33.01 1mfn s HIS 37 CO -0.02 -0.33 0.18 0.00 -0.00 0.00 0.00 174.74 174.57 1mfn n ALA 38 N 3.84 -1.08 0.91 -1.38 0.00 -1.26 0.16 120.51 121.70 1mfn n ALA 38 Ca -0.19 -0.32 0.11 0.00 0.00 0.00 0.00 53.44 53.05 1mfn n ALA 38 Cb 0.58 -0.03 0.06 0.00 0.00 0.00 0.00 19.45 20.06 1mfn n ALA 38 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1mfn n GLU 39 N -2.61 0.06 -0.03 0.00 1.02 -1.25 -4.12 120.64 113.71 1mfn n GLU 39 Ca 0.03 -0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.17 1mfn n GLU 39 Cb 0.12 -1.52 0.01 0.00 -0.02 0.00 0.00 31.44 30.03 1mfn n GLU 39 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 1mfn n HIS 40 N -1.59 0.00 -2.04 -0.32 1.44 -1.26 -5.07 115.22 106.38 1mfn n HIS 40 Ca 0.04 -0.31 -0.29 0.00 -2.01 0.00 0.00 57.72 55.16 1mfn n HIS 40 Cb 0.35 -0.04 0.16 0.00 0.12 0.00 0.00 29.99 30.59 1mfn n HIS 40 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1mfn s SER 41 N -0.72 3.52 0.00 4.39 1.04 -1.26 -5.06 113.70 115.60 1mfn s SER 41 Ca 0.02 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.68 1mfn s SER 41 Cb 0.02 -0.39 0.00 0.00 0.10 0.00 0.00 66.02 65.75 1mfn s SER 41 CO 0.00 -2.47 0.00 0.55 0.98 0.00 0.00 173.24 172.30 1mfn n VAL 42 N -3.54 0.00 0.10 5.02 3.14 -1.26 -4.91 118.33 116.87 1mfn n VAL 42 Ca 0.14 0.00 0.09 0.00 -2.96 0.00 0.00 64.34 61.61 1mfn n VAL 42 Cb 0.60 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.37 1mfn n VAL 42 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1mfn h GLY 43 N 0.00 0.00 0.11 7.55 0.00 -2.03 -3.36 103.07 105.34 1mfn h GLY 43 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.45 1mfn h GLY 43 CO 0.00 0.00 0.11 3.21 0.00 0.00 0.00 176.54 179.86 1mfn h ARG 44 N 0.00 0.23 -7.21 4.80 2.47 -2.00 -3.41 114.38 109.26 1mfn h ARG 44 Ca -0.04 -0.01 -0.48 0.00 -1.26 0.00 0.00 59.98 58.19 1mfn h ARG 44 Cb 1.14 -0.05 0.04 0.00 -1.65 0.00 0.00 29.97 29.45 1mfn h ARG 44 CO 0.01 0.15 0.38 -1.25 0.56 0.00 0.00 179.97 179.82 1mfn s PRO 45 N -6.11 3.65 0.00 0.04 0.04 -1.26 -5.01 135.00 126.35 1mfn s PRO 45 Ca -0.13 1.05 0.00 0.00 0.04 0.00 0.00 61.00 61.96 1mfn s PRO 45 Cb 0.18 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1mfn s PRO 45 CO 0.74 -0.53 0.00 2.89 0.04 0.00 0.00 177.00 180.14 1mfn n ARG 46 N -1.86 0.03 -4.71 4.56 1.85 -1.20 -4.95 116.66 110.37 1mfn n ARG 46 Ca 0.07 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.59 1mfn n ARG 46 Cb 0.54 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.81 1mfn n ARG 46 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 1mfn s GLN 47 N -0.65 3.42 0.24 2.89 -2.07 -1.26 -2.60 119.66 119.63 1mfn s GLN 47 Ca 0.00 -0.65 0.09 0.00 -1.82 0.00 0.00 55.36 52.98 1mfn s GLN 47 Cb 0.00 -2.68 -0.04 0.00 -1.09 0.00 0.00 33.01 29.20 1mfn s GLN 47 CO 0.00 0.23 -0.02 -0.51 -1.32 0.00 0.00 175.29 173.67 1mfn s ASP 48 N 0.32 4.53 0.11 12.60 1.01 0.52 -4.93 116.67 130.84 1mfn s ASP 48 Ca -0.09 -0.60 0.04 0.00 0.71 0.00 0.00 52.55 52.61 1mfn s ASP 48 Cb -0.15 -0.85 -0.04 0.00 1.01 0.00 0.00 42.92 42.89 1mfn s ASP 48 CO 0.05 0.03 -0.09 -0.13 0.21 0.00 0.00 175.17 175.24 1mfn s ARG 49 N -3.43 0.91 0.06 8.23 3.00 -1.25 0.21 118.95 126.68 1mfn s ARG 49 Ca 0.30 -1.27 -0.04 0.00 0.00 0.00 0.00 55.73 54.71 1mfn s ARG 49 Cb -0.07 -0.50 -0.02 0.00 0.00 0.00 0.00 34.95 34.36 1mfn s ARG 49 CO 0.19 0.06 0.07 0.14 0.00 0.00 0.00 175.30 175.76 1mfn s VAL 50 N -2.91 0.18 0.94 3.52 -7.23 -0.37 -4.74 120.40 109.79 1mfn s VAL 50 Ca 0.10 -1.51 -0.14 0.00 -1.81 0.00 0.00 61.98 58.61 1mfn s VAL 50 Cb 0.00 -1.41 0.16 0.00 0.56 0.00 0.00 36.38 35.69 1mfn s VAL 50 CO -0.01 -0.84 1.22 -2.16 -0.31 0.00 0.00 175.10 173.00 1mfn s PRO 51 N -3.82 0.89 0.26 4.82 0.04 -1.26 -1.63 135.00 134.30 1mfn s PRO 51 Ca 0.05 -0.06 0.26 0.00 0.04 0.00 0.00 61.00 61.29 1mfn s PRO 51 Cb 0.06 -1.84 0.81 0.00 0.04 0.00 0.00 34.50 33.57 1mfn s PRO 51 CO -0.10 -2.30 1.75 -1.00 0.04 0.00 0.00 177.00 175.40 1mfn h PRO 52 N -1.56 0.00 -0.63 0.56 0.13 -1.86 -3.09 132.00 125.54 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 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1mfn h PRO 52 CO 0.51 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.73 1mfn n SER 53 N -2.38 4.99 -3.90 1.44 2.88 -1.26 -4.80 113.62 110.60 1mfn n SER 53 Ca 0.05 -2.70 -0.30 0.00 -1.33 0.00 0.00 58.87 54.58 1mfn n SER 53 Cb 0.40 -0.63 -0.16 0.00 -0.75 0.00 0.00 64.21 63.07 1mfn n SER 53 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1mfn s ARG 54 N -2.35 1.42 0.00 -1.46 1.81 -1.17 -4.95 118.95 112.25 1mfn s ARG 54 Ca 0.48 -0.92 0.24 0.00 -1.72 0.00 0.00 55.73 53.81 1mfn s ARG 54 Cb 0.35 -2.50 0.29 0.00 -0.45 0.00 0.00 34.95 32.64 1mfn s ARG 54 CO 0.17 -0.63 1.27 0.27 -0.68 0.00 0.00 175.30 175.69 1mfn n ASN 55 N 4.73 1.17 -3.90 0.23 6.94 -1.26 -4.78 115.26 118.39 1mfn n ASN 55 Ca -0.11 -0.94 -0.19 0.00 -0.02 0.00 0.00 54.58 53.32 1mfn n ASN 55 Cb 0.44 0.43 -0.16 0.00 -2.36 0.00 0.00 39.78 38.14 1mfn n ASN 55 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1mfn s SER 56 N -2.71 0.89 0.02 0.53 1.04 -1.26 -1.47 113.70 110.73 1mfn s SER 56 Ca 0.16 -0.12 0.04 0.00 0.48 0.00 0.00 55.95 56.51 1mfn s SER 56 Cb 0.18 -0.41 -0.01 0.00 0.10 0.00 0.00 66.02 65.87 1mfn s SER 56 CO 0.65 -0.04 -0.11 -0.51 0.98 0.00 0.00 173.24 174.20 1mfn s ILE 57 N 0.81 0.87 -0.22 -1.02 2.07 -0.85 -4.90 121.20 117.96 1mfn s ILE 57 Ca -0.11 -0.72 -0.09 0.00 -1.41 0.00 0.00 60.65 58.33 1mfn s ILE 57 Cb -0.14 -0.77 -0.04 0.00 0.13 0.00 0.00 42.46 41.64 1mfn s ILE 57 CO 0.00 0.06 0.11 -0.89 -1.91 0.00 0.00 174.94 172.31 1mfn s THR 58 N -0.60 4.93 0.29 4.00 2.01 -1.26 -0.52 115.64 124.49 1mfn s THR 58 Ca 0.01 0.03 -0.07 0.00 0.31 0.00 0.00 61.69 61.97 1mfn s THR 58 Cb -0.06 -3.27 -0.06 0.00 0.01 0.00 0.00 72.50 69.12 1mfn s THR 58 CO 0.00 0.38 0.58 -0.76 -0.69 0.00 0.00 174.62 174.14 1mfn s LEU 59 N 0.93 4.05 0.00 4.42 1.43 -0.42 -4.86 118.68 124.23 1mfn s LEU 59 Ca 0.05 0.81 0.07 0.00 -1.03 0.00 0.00 54.13 54.04 1mfn s LEU 59 Cb -0.14 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.43 1mfn s LEU 59 CO 0.03 -0.20 0.25 0.35 0.23 0.00 0.00 176.35 177.01 1mfn n THR 60 N -0.82 0.00 -2.17 5.49 -2.24 -1.26 -1.96 114.28 111.32 1mfn n THR 60 Ca -0.01 -2.20 -0.15 0.00 -2.27 0.00 0.00 64.05 59.42 1mfn n THR 60 Cb 0.54 1.08 -0.02 0.00 -2.10 0.00 0.00 70.33 69.83 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 -1.80 -4.49 -4.77 3.42 4.13 -0.88 -4.88 115.26 105.99 1mfn n ASN 61 Ca 0.06 0.19 -0.31 0.00 1.68 0.00 0.00 54.58 56.20 1mfn n ASN 61 Cb 0.55 -3.86 -0.07 0.00 -1.54 0.00 0.00 39.78 34.86 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 -5.32 3.79 0.10 3.41 1.43 -0.58 -4.96 118.68 116.56 1mfn s LEU 62 Ca 0.00 0.03 -0.36 0.00 -1.03 0.00 0.00 54.13 52.77 1mfn s LEU 62 Cb 0.00 -2.37 -0.16 0.00 0.03 0.00 0.00 46.19 43.69 1mfn s LEU 62 CO 0.00 0.21 1.37 0.59 0.23 0.00 0.00 176.35 178.75 1mfn n ASN 63 N 0.76 1.86 -4.71 2.29 5.03 -1.26 -4.12 115.26 115.11 1mfn n ASN 63 Ca -0.10 1.11 -0.42 0.00 0.87 0.00 0.00 54.58 56.04 1mfn n ASN 63 Cb 0.52 -1.23 -0.03 0.00 -1.02 0.00 0.00 39.78 38.02 1mfn n ASN 63 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1mfn s PRO 64 N 0.51 4.47 -0.47 3.52 0.04 -1.24 -3.94 135.00 137.88 1mfn s PRO 64 Ca 0.83 1.61 -0.02 0.00 0.04 0.00 0.00 61.00 63.46 1mfn s PRO 64 Cb -0.91 -3.43 -0.02 0.00 0.04 0.00 0.00 34.50 30.19 1mfn s PRO 64 CO 0.46 -0.20 0.43 0.41 0.04 0.00 0.00 177.00 178.13 1mfn n GLY 65 N 3.11 -0.39 3.42 0.56 0.00 0.81 -4.78 105.19 107.93 1mfn n GLY 65 Ca 0.08 0.16 -0.16 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.12 0.02 -0.11 2.61 2.01 -0.83 -4.88 115.64 111.34 1mfn s THR 66 Ca 0.14 -0.17 -0.30 0.00 0.31 0.00 0.00 61.69 61.68 1mfn s THR 66 Cb -0.02 -0.92 -0.01 0.00 0.01 0.00 0.00 72.50 71.55 1mfn s THR 66 CO 0.38 -0.09 1.07 -0.70 -0.69 0.00 0.00 174.62 174.59 1mfn s GLU 67 N -1.74 4.37 -0.19 4.92 2.12 -1.26 0.21 118.70 127.13 1mfn s GLU 67 Ca -0.09 1.47 0.01 0.00 0.36 0.00 0.00 54.97 56.72 1mfn s GLU 67 Cb -0.01 -3.57 0.02 0.00 0.26 0.00 0.00 34.13 30.83 1mfn s GLU 67 CO 0.04 -0.41 -0.18 0.71 -0.54 0.00 0.00 175.26 174.88 1mfn s TYR 68 N 2.28 2.83 -0.16 5.30 2.02 -0.48 -3.96 117.35 125.18 1mfn s TYR 68 Ca 0.50 -1.62 -0.29 0.00 -0.37 0.00 0.00 57.07 55.29 1mfn s TYR 68 Cb -0.20 -1.94 -0.01 0.00 -0.40 0.00 0.00 41.96 39.42 1mfn s TYR 68 CO 0.17 -0.79 1.09 0.08 -1.57 0.00 0.00 175.55 174.53 1mfn s VAL 69 N 1.30 4.59 -0.11 0.71 1.01 0.41 -2.34 120.40 125.97 1mfn s VAL 69 Ca 0.04 1.90 -0.03 0.00 0.00 0.00 0.00 61.98 63.90 1mfn s VAL 69 Cb -0.14 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 1mfn s VAL 69 CO -0.12 -0.09 -0.00 -0.69 0.00 0.00 0.00 175.10 174.20 1mfn s VAL 70 N 2.75 4.26 -0.34 2.92 1.01 -0.78 0.99 120.40 131.20 1mfn s VAL 70 Ca 0.49 -0.25 -0.05 0.00 0.00 0.00 0.00 61.98 62.16 1mfn s VAL 70 Cb -0.18 -2.83 0.05 0.00 0.00 0.00 0.00 36.38 33.42 1mfn s VAL 70 CO 0.13 0.56 0.10 -0.94 0.00 0.00 0.00 175.10 174.96 1mfn s SER 71 N -0.43 5.24 -0.44 3.32 1.04 0.13 0.24 113.70 122.79 1mfn s SER 71 Ca 0.08 -1.30 -0.21 0.00 0.48 0.00 0.00 55.95 55.00 1mfn s SER 71 Cb -0.12 -1.84 0.02 0.00 0.10 0.00 0.00 66.02 64.19 1mfn s SER 71 CO 0.02 -0.35 0.64 -0.63 0.98 0.00 0.00 173.24 173.90 1mfn s ILE 72 N 1.34 4.83 0.16 -1.02 -1.09 0.11 -0.73 121.20 124.80 1mfn s ILE 72 Ca -0.01 0.11 0.08 0.00 -2.23 0.00 0.00 60.65 58.61 1mfn s ILE 72 Cb -0.20 -4.20 -0.04 0.00 -1.58 0.00 0.00 42.46 36.43 1mfn s ILE 72 CO 0.01 -0.59 -0.09 -0.63 -1.23 0.00 0.00 174.94 172.41 1mfn s ILE 73 N 2.81 3.24 0.03 2.92 1.09 -0.68 0.66 121.20 131.28 1mfn s ILE 73 Ca 0.22 -1.56 0.05 0.00 -1.10 0.00 0.00 60.65 58.27 1mfn s ILE 73 Cb -0.14 -2.59 -0.03 0.00 -1.06 0.00 0.00 42.46 38.64 1mfn s ILE 73 CO 0.19 -0.06 -0.10 0.00 -0.10 0.00 0.00 174.94 174.87 1mfn s ALA 74 N -1.58 2.89 -0.08 9.38 0.00 -1.26 0.19 121.76 131.30 1mfn s ALA 74 Ca 0.24 -1.11 -0.09 0.00 0.00 0.00 0.00 51.96 51.00 1mfn s ALA 74 Cb -0.09 -0.98 0.02 0.00 0.00 0.00 0.00 23.12 22.07 1mfn s ALA 74 CO 0.15 0.61 0.25 0.14 0.00 0.00 0.00 175.76 176.91 1mfn s VAL 75 N -1.01 0.02 -0.59 0.00 -7.23 -0.94 -3.04 120.40 107.60 1mfn s VAL 75 Ca 0.17 -0.13 0.03 0.00 -1.81 0.00 0.00 61.98 60.24 1mfn s VAL 75 Cb -0.11 -0.40 0.39 0.00 0.56 0.00 0.00 36.38 36.83 1mfn s VAL 75 CO 0.08 -0.07 1.43 -3.20 -0.31 0.00 0.00 175.10 173.03 1mfn n ASN 76 N 2.59 5.70 0.00 4.85 4.05 -1.24 -2.48 115.26 128.73 1mfn n ASN 76 Ca -0.15 -3.76 0.00 0.00 0.45 0.00 0.00 54.58 51.12 1mfn n ASN 76 Cb 0.58 -0.68 0.00 0.00 1.23 0.00 0.00 39.78 40.91 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 -0.50 1.33 0.00 8.20 0.00 -1.26 -3.28 105.19 109.68 1mfn n GLY 77 Ca 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1mfn n GLY 77 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1mfn n ARG 78 N 0.00 -0.45 -0.49 1.61 0.00 -1.26 -5.07 116.66 111.00 1mfn n ARG 78 Ca 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 57.85 57.60 1mfn n ARG 78 Cb 0.00 -0.74 0.00 0.00 -0.00 0.00 0.00 32.46 31.72 1mfn n ARG 78 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1mfn n GLU 79 N -0.00 2.10 -1.56 2.89 1.02 -1.21 -5.15 120.64 118.74 1mfn n GLU 79 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 1mfn n GLU 79 Cb 0.13 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.55 1mfn n GLU 79 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1mfn n GLU 80 N -0.45 0.04 -3.41 3.49 1.02 -1.26 -3.71 120.64 116.35 1mfn n GLU 80 Ca 0.00 -0.12 -0.03 0.00 -0.02 0.00 0.00 57.16 56.99 1mfn n GLU 80 Cb 0.00 0.12 0.02 0.00 -0.02 0.00 0.00 31.44 31.56 1mfn n GLU 80 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1mfn n SER 81 N -1.88 -1.47 -4.77 1.62 3.41 -1.17 -4.47 113.62 104.89 1mfn n SER 81 Ca -0.00 -1.80 -0.39 0.00 -0.26 0.00 0.00 58.87 56.43 1mfn n SER 81 Cb 0.03 2.39 -0.05 0.00 -0.26 0.00 0.00 64.21 66.32 1mfn n SER 81 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1mfn s PRO 82 N -2.04 4.53 0.03 4.33 0.04 -1.26 -4.71 135.00 135.91 1mfn s PRO 82 Ca 0.18 1.57 -0.30 0.00 0.04 0.00 0.00 61.00 62.49 1mfn s PRO 82 Cb -0.02 -2.94 -0.04 0.00 0.04 0.00 0.00 34.50 31.53 1mfn s PRO 82 CO 0.05 0.18 1.07 -1.25 0.04 0.00 0.00 177.00 177.09 1mfn s PRO 83 N -1.82 4.51 -0.63 0.56 0.04 -1.26 -4.29 135.00 132.11 1mfn s PRO 83 Ca 0.49 1.57 0.05 0.00 0.04 0.00 0.00 61.00 63.14 1mfn s PRO 83 Cb -0.25 -3.41 0.15 0.00 0.04 0.00 0.00 34.50 31.03 1mfn s PRO 83 CO 0.32 -0.14 0.40 -1.17 0.04 0.00 0.00 177.00 176.46 1mfn s LEU 84 N 1.04 4.61 0.21 -3.56 2.96 0.21 -4.97 118.68 119.17 1mfn s LEU 84 Ca 0.55 -3.53 -0.04 0.00 -0.22 0.00 0.00 54.13 50.89 1mfn s LEU 84 Cb -0.25 -1.63 -0.05 0.00 0.50 0.00 0.00 46.19 44.76 1mfn s LEU 84 CO 0.28 -0.14 0.44 -0.63 -1.32 0.00 0.00 176.35 174.99 1mfn s ILE 85 N -1.00 5.12 0.09 6.68 1.01 -1.26 0.04 121.20 131.88 1mfn s ILE 85 Ca 0.22 -0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.82 1mfn s ILE 85 Cb -0.13 -3.69 -0.00 0.00 0.01 0.00 0.00 42.46 38.65 1mfn s ILE 85 CO -0.10 -0.14 0.10 0.61 0.00 0.00 0.00 174.94 175.40 1mfn n GLY 86 N -0.46 3.35 2.82 6.18 0.00 0.14 -4.90 105.19 112.32 1mfn n GLY 86 Ca -0.03 -1.59 -0.16 0.00 0.00 0.00 0.00 46.02 44.24 1mfn n GLY 86 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mfn s GLN 87 N -2.28 0.22 0.00 1.61 -0.21 -1.26 -1.87 119.66 115.87 1mfn s GLN 87 Ca 0.09 0.08 0.00 0.00 0.02 0.00 0.00 55.36 55.55 1mfn s GLN 87 Cb 0.00 -0.40 0.00 0.00 1.00 0.00 0.00 33.01 33.61 1mfn s GLN 87 CO 0.06 -0.12 0.00 1.04 -2.12 0.00 0.00 175.29 174.15 1mfn n GLN 88 N 4.02 0.00 -3.59 2.91 3.00 -0.99 -4.97 117.38 117.76 1mfn n GLN 88 Ca -0.26 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.61 1mfn n GLN 88 Cb 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.69 1mfn n GLN 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1mfn s ALA 89 N -1.93 -1.89 0.20 -1.58 0.00 -1.26 -1.38 121.76 113.92 1mfn s ALA 89 Ca 0.00 1.68 -0.22 0.00 0.00 0.00 0.00 51.96 53.42 1mfn s ALA 89 Cb 0.00 -0.84 -0.08 0.00 0.00 0.00 0.00 23.12 22.20 1mfn s ALA 89 CO 0.00 -0.31 0.75 0.95 0.00 0.00 0.00 175.76 177.16 1mfn s THR 90 N -0.51 4.47 1.36 0.00 -4.23 0.57 -4.83 115.64 112.47 1mfn s THR 90 Ca -0.02 1.49 -0.21 0.00 -1.18 0.00 0.00 61.69 61.77 1mfn s THR 90 Cb -0.02 -3.98 0.35 0.00 1.34 0.00 0.00 72.50 70.18 1mfn s THR 90 CO 0.01 0.35 0.96 -0.69 -0.54 0.00 0.00 174.62 174.71 1mfn s VAL 91 N -1.36 1.38 -0.40 2.29 1.01 0.19 -1.96 120.40 121.56 1mfn s VAL 91 Ca 0.40 0.00 -0.09 0.00 0.00 0.00 0.00 61.98 62.29 1mfn s VAL 91 Cb -0.20 -2.09 0.06 0.00 0.00 0.00 0.00 36.38 34.15 1mfn s VAL 91 CO 0.23 0.00 0.22 -0.94 0.00 0.00 0.00 175.10 174.61 1mfn s SER 92 N -3.06 5.61 0.09 3.32 1.04 -1.26 0.28 113.70 119.72 1mfn s SER 92 Ca 0.69 -1.34 -0.04 0.00 0.48 0.00 0.00 55.95 55.74 1mfn s SER 92 Cb -0.15 -1.98 -0.23 0.00 0.10 0.00 0.00 66.02 63.77 1mfn s SER 92 CO 0.59 -0.47 1.19 -2.24 0.98 0.00 0.00 173.24 173.29 1mfn h ASP 93 N 8.38 0.45 -3.83 7.02 3.04 -1.92 -3.33 116.42 126.24 1mfn h ASP 93 Ca -0.23 -0.45 -0.56 0.00 -3.24 0.00 0.00 57.03 52.55 1mfn h ASP 93 Cb 1.09 -0.14 0.13 0.00 -1.04 0.00 0.00 39.33 39.36 1mfn h ASP 93 CO 0.71 1.32 0.56 -0.38 -2.04 0.00 0.00 179.24 179.41 1mfn n ILE 94 N -3.60 3.15 -1.90 4.15 5.41 -1.26 -4.47 119.36 120.84 1mfn n ILE 94 Ca -0.08 -0.50 -0.40 0.00 1.00 0.00 0.00 62.75 62.77 1mfn n ILE 94 Cb 0.97 -1.65 -0.02 0.00 -0.71 0.00 0.00 39.64 38.23 1mfn n ILE 94 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1mfn n PRO 95 N -0.46 2.43 -0.89 0.38 -0.04 -1.26 -4.72 135.00 130.43 1mfn n PRO 95 Ca 0.08 -2.60 -0.32 0.00 -0.04 0.00 0.00 63.50 60.62 1mfn n PRO 95 Cb 0.42 -3.34 0.14 0.00 -0.04 0.00 0.00 33.50 30.68 1mfn n PRO 95 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1mfn s ARG 96 N 4.47 1.36 0.00 0.54 6.06 -1.26 -3.27 118.95 126.85 1mfn s ARG 96 Ca 0.55 1.55 0.00 0.00 -2.50 0.00 0.00 55.73 55.34 1mfn s ARG 96 Cb 0.09 -1.77 0.00 0.00 0.06 0.00 0.00 34.95 33.33 1mfn s ARG 96 CO 0.04 -2.38 0.00 -3.47 -2.50 0.00 0.00 175.30 167.00 1mfn n ASP 97 N -3.87 -2.98 -4.55 -2.12 2.03 -1.26 -0.69 116.55 103.10 1mfn n ASP 97 Ca 0.12 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 55.07 1mfn n ASP 97 Cb 0.52 -0.50 -0.03 0.00 -0.72 0.00 0.00 41.12 40.39 1mfn n ASP 97 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1mfn s LEU 98 N 0.00 3.40 0.00 -2.67 2.96 -1.20 -4.23 118.68 116.94 1mfn s LEU 98 Ca 0.00 1.06 0.01 0.00 -0.22 0.00 0.00 54.13 54.98 1mfn s LEU 98 Cb 0.00 -2.51 -0.00 0.00 0.50 0.00 0.00 46.19 44.18 1mfn s LEU 98 CO 0.00 -2.87 0.05 -0.62 -1.32 0.00 0.00 176.35 171.60 1mfn n GLU 99 N 9.02 0.08 -4.26 1.98 1.02 -1.04 -4.78 120.64 122.66 1mfn n GLU 99 Ca 0.36 -0.59 -0.22 0.00 -0.02 0.00 0.00 57.16 56.69 1mfn n GLU 99 Cb 0.55 0.49 -0.12 0.00 -0.02 0.00 0.00 31.44 32.34 1mfn n GLU 99 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1mfn s VAL 100 N -2.26 1.58 0.00 2.62 1.01 -1.26 -2.25 120.40 119.85 1mfn s VAL 100 Ca 0.07 -1.53 0.00 0.00 0.00 0.00 0.00 61.98 60.52 1mfn s VAL 100 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.91 1mfn s VAL 100 CO 0.05 -0.13 0.00 2.30 0.00 0.00 0.00 175.10 177.32 1mfn n ILE 101 N 1.05 0.00 -4.23 2.22 -5.35 -0.95 -4.97 119.36 107.13 1mfn n ILE 101 Ca -0.19 -0.26 -0.19 0.00 -0.27 0.00 0.00 62.75 61.83 1mfn n ILE 101 Cb 0.54 0.77 -0.16 0.00 -1.74 0.00 0.00 39.64 39.05 1mfn n ILE 101 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1mfn s ALA 102 N -1.36 0.68 -0.64 -1.28 0.00 -1.26 -4.90 121.76 113.01 1mfn s ALA 102 Ca 0.00 -0.16 0.05 0.00 0.00 0.00 0.00 51.96 51.85 1mfn s ALA 102 Cb 0.00 -0.33 0.16 0.00 0.00 0.00 0.00 23.12 22.95 1mfn s ALA 102 CO 0.00 0.06 0.44 -1.54 0.00 0.00 0.00 175.76 174.71 1mfn s SER 103 N 0.51 4.33 0.79 0.00 1.04 -1.26 0.15 113.70 119.25 1mfn s SER 103 Ca -0.07 -3.60 -0.11 0.00 0.48 0.00 0.00 55.95 52.64 1mfn s SER 103 Cb -0.11 -1.47 0.07 0.00 0.10 0.00 0.00 66.02 64.61 1mfn s SER 103 CO 0.00 -0.12 1.09 0.42 0.98 0.00 0.00 173.24 175.61 1mfn s THR 104 N -1.06 3.21 -1.77 2.02 -4.23 0.52 -4.88 115.64 109.45 1mfn s THR 104 Ca 0.24 0.39 0.13 0.00 -1.18 0.00 0.00 61.69 61.28 1mfn s THR 104 Cb -0.07 -3.08 0.32 0.00 1.34 0.00 0.00 72.50 71.01 1mfn s THR 104 CO -0.14 -0.51 1.28 -0.81 -0.54 0.00 0.00 174.62 173.89 1mfn n PRO 105 N -3.45 0.33 -0.60 3.99 -0.04 -1.26 -2.80 135.00 131.17 1mfn n PRO 105 Ca 0.07 0.07 -0.01 0.00 -0.04 0.00 0.00 63.50 63.59 1mfn n PRO 105 Cb 0.55 -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 -1.12 0.00 -3.58 0.52 -2.24 -1.26 -4.14 114.28 102.46 1mfn n THR 106 Ca 0.09 -0.04 -0.06 0.00 -2.27 0.00 0.00 64.05 61.77 1mfn n THR 106 Cb 0.07 0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.47 1mfn n THR 106 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1mfn s SER 107 N -0.39 -0.20 0.02 3.42 1.04 -1.12 -1.62 113.70 114.85 1mfn s SER 107 Ca 0.01 0.03 -0.06 0.00 0.48 0.00 0.00 55.95 56.41 1mfn s SER 107 Cb 0.01 0.20 -0.01 0.00 0.10 0.00 0.00 66.02 66.33 1mfn s SER 107 CO -0.01 -0.31 0.11 -0.76 0.98 0.00 0.00 173.24 173.25 1mfn s LEU 108 N -2.12 1.71 0.20 2.42 1.43 -0.32 0.20 118.68 122.20 1mfn s LEU 108 Ca 0.08 -0.36 -0.18 0.00 -1.03 0.00 0.00 54.13 52.64 1mfn s LEU 108 Cb -0.01 0.59 -0.08 0.00 0.03 0.00 0.00 46.19 46.73 1mfn s LEU 108 CO -0.05 -0.42 0.68 -0.22 0.23 0.00 0.00 176.35 176.57 1mfn s LEU 109 N -1.68 4.33 0.10 1.79 1.98 0.12 -1.77 118.68 123.56 1mfn s LEU 109 Ca -0.11 1.33 0.07 0.00 -2.89 0.00 0.00 54.13 52.52 1mfn s LEU 109 Cb -0.05 -3.51 -0.03 0.00 0.66 0.00 0.00 46.19 43.25 1mfn s LEU 109 CO -0.01 0.04 -0.18 0.27 -1.89 0.00 0.00 176.35 174.58 1mfn s ILE 110 N -1.52 1.51 -0.22 6.68 -4.36 -0.73 -2.25 121.20 120.32 1mfn s ILE 110 Ca 0.42 -1.51 -0.20 0.00 -0.26 0.00 0.00 60.65 59.10 1mfn s ILE 110 Cb -0.16 -1.43 0.06 0.00 1.25 0.00 0.00 42.46 42.18 1mfn s ILE 110 CO 0.20 -0.15 0.58 -0.55 0.24 0.00 0.00 174.94 175.26 1mfn s SER 111 N -1.95 -0.60 0.12 4.36 0.15 -0.95 -1.90 113.70 112.92 1mfn s SER 111 Ca 0.05 1.17 -0.13 0.00 0.70 0.00 0.00 55.95 57.74 1mfn s SER 111 Cb -0.09 1.18 0.02 0.00 -1.71 0.00 0.00 66.02 65.42 1mfn s SER 111 CO 0.04 -0.20 0.31 -1.66 1.20 0.00 0.00 173.24 172.93 1mfn s TRP 112 N 0.31 -0.01 0.42 3.44 -2.14 -0.36 -2.48 118.94 118.12 1mfn s TRP 112 Ca -0.00 -0.36 -0.23 0.00 2.66 0.00 0.00 56.10 58.17 1mfn s TRP 112 Cb -0.04 0.12 -0.09 0.00 -3.10 0.00 0.00 33.47 30.36 1mfn s TRP 112 CO 0.01 -0.65 1.07 -1.21 -2.66 0.00 0.00 176.95 173.50 1mfn s GLU 113 N -3.84 4.04 0.27 3.25 2.02 0.13 -4.66 118.70 119.91 1mfn s GLU 113 Ca 0.05 1.54 -0.29 0.00 0.02 0.00 0.00 54.97 56.29 1mfn s GLU 113 Cb 0.03 -2.45 -0.09 0.00 0.10 0.00 0.00 34.13 31.71 1mfn s GLU 113 CO -0.10 -0.26 0.98 -1.25 0.02 0.00 0.00 175.26 174.65 1mfn s PRO 114 N -2.64 4.73 0.90 0.39 0.04 -1.26 -4.13 135.00 133.03 1mfn s PRO 114 Ca 0.60 1.52 -0.14 0.00 0.04 0.00 0.00 61.00 63.02 1mfn s PRO 114 Cb -0.22 -3.14 0.14 0.00 0.04 0.00 0.00 34.50 31.32 1mfn s PRO 114 CO 0.28 0.39 1.21 -1.25 0.04 0.00 0.00 177.00 177.67 1mfn s PRO 115 N -1.46 1.20 -0.29 0.56 0.04 -1.26 -4.96 135.00 128.83 1mfn s PRO 115 Ca 0.44 -0.03 0.07 0.00 0.04 0.00 0.00 61.00 61.52 1mfn s PRO 115 Cb -0.25 -1.88 0.60 0.00 0.04 0.00 0.00 34.50 33.01 1mfn s PRO 115 CO 0.32 -2.10 1.64 0.00 0.04 0.00 0.00 177.00 176.90 1mfn n ALA 116 N -3.63 4.39 -2.31 8.56 0.00 -1.25 -4.90 120.51 121.36 1mfn n ALA 116 Ca 0.10 -1.99 -0.12 0.00 0.00 0.00 0.00 53.44 51.44 1mfn n ALA 116 Cb 0.60 -1.25 -0.10 0.00 0.00 0.00 0.00 19.45 18.70 1mfn n ALA 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1mfn s VAL 117 N -2.57 0.77 0.88 0.00 -7.23 -1.26 -4.84 120.40 106.14 1mfn s VAL 117 Ca 0.45 -1.80 -0.11 0.00 -1.81 0.00 0.00 61.98 58.71 1mfn s VAL 117 Cb 0.37 -1.52 0.12 0.00 0.56 0.00 0.00 36.38 35.90 1mfn s VAL 117 CO 0.11 -0.75 1.09 -0.44 -0.31 0.00 0.00 175.10 174.80 1mfn s SER 118 N -2.79 3.67 -0.23 4.85 0.01 -1.26 -5.06 113.70 112.89 1mfn s SER 118 Ca 0.09 1.48 -0.16 0.00 1.31 0.00 0.00 55.95 58.67 1mfn s SER 118 Cb 0.02 -2.17 0.06 0.00 0.21 0.00 0.00 66.02 64.15 1mfn s SER 118 CO -0.03 -2.51 0.57 -0.69 0.41 0.00 0.00 173.24 170.99 1mfn s VAL 119 N -2.96 -0.01 -0.04 3.43 1.01 -1.26 -4.86 120.40 115.71 1mfn s VAL 119 Ca 0.63 0.02 -0.22 0.00 0.00 0.00 0.00 61.98 62.41 1mfn s VAL 119 Cb -0.17 -0.82 -0.28 0.00 0.00 0.00 0.00 36.38 35.11 1mfn s VAL 119 CO 0.56 0.01 0.96 0.03 0.00 0.00 0.00 175.10 176.66 1mfn h ARG 120 N 6.29 0.28 0.00 2.72 2.47 -1.60 -3.45 114.38 121.09 1mfn h ARG 120 Ca -0.31 -0.39 0.06 0.00 -1.26 0.00 0.00 59.98 58.08 1mfn h ARG 120 Cb 1.19 0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 29.64 1mfn h ARG 120 CO 0.19 1.13 0.34 2.48 0.56 0.00 0.00 179.97 184.67 1mfn n TYR 121 N -4.26 -1.48 -3.88 3.04 4.11 -1.08 -3.91 117.16 109.70 1mfn n TYR 121 Ca -0.12 -1.10 -0.11 0.00 -0.00 0.00 0.00 57.90 56.57 1mfn n TYR 121 Cb 0.70 0.54 -0.13 0.00 -0.00 0.00 0.00 39.34 40.45 1mfn n TYR 121 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 1mfn s TYR 122 N -3.49 0.03 -0.34 -3.48 1.51 -0.98 -0.80 117.35 109.79 1mfn s TYR 122 Ca 0.15 -0.05 -0.03 0.00 -1.01 0.00 0.00 57.07 56.13 1mfn s TYR 122 Cb -0.03 -0.03 0.07 0.00 -0.11 0.00 0.00 41.96 41.86 1mfn s TYR 122 CO 0.06 -0.07 0.08 -0.98 -1.11 0.00 0.00 175.55 173.53 1mfn s ARG 123 N -0.38 2.30 0.63 -0.62 1.70 0.73 0.21 118.95 123.52 1mfn s ARG 123 Ca -0.04 -1.44 -0.07 0.00 -0.47 0.00 0.00 55.73 53.70 1mfn s ARG 123 Cb -0.03 -3.35 0.01 0.00 -0.57 0.00 0.00 34.95 31.02 1mfn s ARG 123 CO -0.00 -0.78 0.96 0.42 -1.08 0.00 0.00 175.30 174.82 1mfn s ILE 124 N 1.23 3.54 -0.00 4.99 1.01 0.76 -0.12 121.20 132.61 1mfn s ILE 124 Ca -0.00 0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.78 1mfn s ILE 124 Cb -0.21 -3.43 -0.01 0.00 0.01 0.00 0.00 42.46 38.82 1mfn s ILE 124 CO -0.02 -0.48 -0.06 0.42 0.00 0.00 0.00 174.94 174.80 1mfn s THR 125 N -3.10 0.48 -0.17 2.92 -4.23 0.54 -0.66 115.64 111.43 1mfn s THR 125 Ca 0.55 -0.33 -0.24 0.00 -1.18 0.00 0.00 61.69 60.50 1mfn s THR 125 Cb -0.11 -0.42 -0.02 0.00 1.34 0.00 0.00 72.50 73.29 1mfn s THR 125 CO 0.47 0.09 0.77 -0.31 -0.54 0.00 0.00 174.62 175.10 1mfn s TYR 126 N -0.24 3.42 -0.39 3.99 1.51 0.56 -1.88 117.35 124.32 1mfn s TYR 126 Ca 0.01 1.16 -0.18 0.00 -1.01 0.00 0.00 57.07 57.06 1mfn s TYR 126 Cb -0.03 -2.94 0.01 0.00 -0.11 0.00 0.00 41.96 38.89 1mfn s TYR 126 CO -0.00 -0.20 0.49 0.20 -1.11 0.00 0.00 175.55 174.92 1mfn s GLY 127 N 1.15 1.84 -0.13 0.71 0.00 0.37 -2.64 107.32 108.61 1mfn s GLY 127 Ca 0.35 -1.28 -0.03 0.00 0.00 0.00 0.00 44.72 43.76 1mfn s GLY 127 CO 0.12 1.24 -0.01 -0.54 0.00 0.00 0.00 173.10 173.91 1mfn s GLU 128 N 2.32 3.43 0.00 2.90 2.02 -1.26 0.82 118.70 128.93 1mfn s GLU 128 Ca 0.16 -0.45 0.00 0.00 0.02 0.00 0.00 54.97 54.70 1mfn s GLU 128 Cb -0.16 -2.91 0.00 0.00 0.10 0.00 0.00 34.13 31.16 1mfn s GLU 128 CO 0.14 0.44 0.00 0.25 0.02 0.00 0.00 175.26 176.11 1mfn n THR 129 N 2.95 0.00 -0.97 3.63 -2.24 -0.93 -4.37 114.28 112.35 1mfn n THR 129 Ca -0.18 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.47 1mfn n THR 129 Cb 0.53 -0.09 -0.06 0.00 -2.10 0.00 0.00 70.33 68.61 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 2.78 3.43 0.03 3.38 0.00 -1.26 -4.14 105.19 109.42 1mfn n GLY 130 Ca 0.00 -1.06 0.11 0.00 0.00 0.00 0.00 46.02 45.08 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 1.43 -1.23 2.00 -0.02 0.00 -1.26 -4.92 105.19 101.19 1mfn n GLY 131 Ca 0.31 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 1mfn n GLY 131 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mfn n ASN 132 N -1.94 -2.74 -4.29 1.61 4.05 -1.26 -4.87 115.26 105.82 1mfn n ASN 132 Ca 0.02 0.25 -0.20 0.00 0.45 0.00 0.00 54.58 55.10 1mfn n ASN 132 Cb 0.43 -2.56 -0.10 0.00 1.23 0.00 0.00 39.78 38.78 1mfn n ASN 132 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1mfn s SER 133 N -1.88 1.87 0.09 1.20 1.04 -1.26 -5.13 113.70 109.63 1mfn s SER 133 Ca 0.00 -1.45 -0.30 0.00 0.48 0.00 0.00 55.95 54.68 1mfn s SER 133 Cb 0.00 0.16 -0.05 0.00 0.10 0.00 0.00 66.02 66.22 1mfn s SER 133 CO 0.00 -0.74 1.03 -2.16 0.98 0.00 0.00 173.24 172.35 1mfn s PRO 134 N -3.91 4.60 1.02 4.02 0.04 -1.26 -4.93 135.00 134.58 1mfn s PRO 134 Ca 0.35 1.54 -0.19 0.00 0.04 0.00 0.00 61.00 62.74 1mfn s PRO 134 Cb 0.07 -3.38 -0.05 0.00 0.04 0.00 0.00 34.50 31.18 1mfn s PRO 134 CO 0.15 0.04 -0.53 1.33 0.04 0.00 0.00 177.00 178.04 1mfn n VAL 135 N 3.18 0.00 -3.90 -0.36 0.24 -1.26 -4.94 118.33 111.30 1mfn n VAL 135 Ca 0.04 -0.24 -0.35 0.00 -2.04 0.00 0.00 64.34 61.75 1mfn n VAL 135 Cb 0.49 -0.30 -0.14 0.00 -1.47 0.00 0.00 33.84 32.42 1mfn n VAL 135 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1mfn s GLN 136 N -2.75 3.11 -0.26 7.34 0.74 -1.08 -4.81 119.66 121.95 1mfn s GLN 136 Ca 0.47 -0.81 -0.08 0.00 0.05 0.00 0.00 55.36 54.99 1mfn s GLN 136 Cb -0.09 -3.07 -0.03 0.00 1.10 0.00 0.00 33.01 30.92 1mfn s GLN 136 CO 0.71 -0.32 0.10 -1.21 -0.55 0.00 0.00 175.29 174.01 1mfn s GLU 137 N 1.42 3.63 0.12 1.67 2.02 -1.26 0.21 118.70 126.51 1mfn s GLU 137 Ca 0.03 -0.50 0.10 0.00 0.02 0.00 0.00 54.97 54.62 1mfn s GLU 137 Cb -0.16 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 30.63 1mfn s GLU 137 CO -0.03 -0.23 -0.24 -0.59 0.02 0.00 0.00 175.26 174.19 1mfn s PHE 138 N 1.63 2.38 0.46 1.61 -0.71 0.16 -4.92 117.98 118.60 1mfn s PHE 138 Ca 0.06 -0.35 -0.08 0.00 -1.04 0.00 0.00 56.93 55.53 1mfn s PHE 138 Cb -0.16 -1.29 0.11 0.00 -1.21 0.00 0.00 43.02 40.48 1mfn s PHE 138 CO 0.05 0.34 0.49 0.25 -1.34 0.00 0.00 175.22 175.00 1mfn n THR 139 N 0.95 0.00 -3.71 -4.49 -2.24 -1.26 -0.17 114.28 103.36 1mfn n THR 139 Ca -0.17 -0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.19 1mfn n THR 139 Cb 0.53 -1.38 -0.09 0.00 -2.10 0.00 0.00 70.33 67.29 1mfn n THR 139 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1mfn s VAL 140 N -1.97 0.00 -0.01 2.28 1.01 0.57 -4.54 120.40 117.74 1mfn s VAL 140 Ca 0.30 -0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.94 1mfn s VAL 140 Cb -0.02 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 1mfn s VAL 140 CO 0.22 -0.02 1.04 -2.16 0.00 0.00 0.00 175.10 174.19 1mfn s PRO 141 N 0.07 4.50 -0.08 2.72 0.04 -1.26 -2.33 135.00 138.66 1mfn s PRO 141 Ca -0.01 1.50 -0.04 0.00 0.04 0.00 0.00 61.00 62.49 1mfn s PRO 141 Cb -0.03 -3.46 -0.14 0.00 0.04 0.00 0.00 34.50 30.91 1mfn s PRO 141 CO 0.01 -0.16 3.07 0.41 0.04 0.00 0.00 177.00 180.37 1mfn n GLY 142 N 3.03 3.13 0.53 0.56 0.00 -1.25 -4.01 105.19 107.18 1mfn n GLY 142 Ca 0.07 -1.03 0.08 0.00 0.00 0.00 0.00 46.02 45.14 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 1.95 2.03 -3.76 1.61 3.41 -1.26 -5.02 113.62 112.57 1mfn n SER 143 Ca 0.34 -1.51 -0.04 0.00 -0.26 0.00 0.00 58.87 57.40 1mfn n SER 143 Cb 0.76 0.25 -0.01 0.00 -0.26 0.00 0.00 64.21 64.95 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 -1.71 1.24 -0.20 4.33 1.02 -1.26 -5.02 119.74 118.15 1mfn s LYS 144 Ca 0.17 -0.68 0.10 0.00 0.02 0.00 0.00 55.97 55.57 1mfn s LYS 144 Cb 0.14 0.42 0.61 0.00 -0.52 0.00 0.00 37.83 38.48 1mfn s LYS 144 CO 0.32 -0.57 1.48 0.45 -0.92 0.00 0.00 175.35 176.11 1mfn n SER 145 N -0.47 4.48 -4.03 2.83 2.88 -1.26 -4.89 113.62 113.16 1mfn n SER 145 Ca -0.06 -2.77 -0.09 0.00 -1.33 0.00 0.00 58.87 54.62 1mfn n SER 145 Cb 0.61 -0.66 -0.11 0.00 -0.75 0.00 0.00 64.21 63.30 1mfn n SER 145 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1mfn s THR 146 N -2.36 0.24 0.00 2.46 -4.23 -1.26 -1.22 115.64 109.27 1mfn s THR 146 Ca 0.42 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 59.77 1mfn s THR 146 Cb 0.32 -0.63 0.00 0.00 1.34 0.00 0.00 72.50 73.53 1mfn s THR 146 CO 0.12 -0.59 0.00 0.00 -0.54 0.00 0.00 174.62 173.61 1mfn n ALA 147 N 1.22 0.00 -2.63 3.99 0.00 -0.80 -4.98 120.51 117.32 1mfn n ALA 147 Ca -0.21 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.13 1mfn n ALA 147 Cb 0.56 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.94 1mfn n ALA 147 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1mfn s THR 148 N -1.75 0.06 -0.15 0.00 2.01 -1.26 -1.78 115.64 112.77 1mfn s THR 148 Ca 0.00 -1.50 -0.04 0.00 0.31 0.00 0.00 61.69 60.46 1mfn s THR 148 Cb 0.00 -1.93 0.05 0.00 0.01 0.00 0.00 72.50 70.64 1mfn s THR 148 CO 0.00 -0.29 0.07 -0.63 -0.69 0.00 0.00 174.62 173.08 1mfn s ILE 149 N -3.99 0.03 0.53 1.82 1.09 -0.73 -4.93 121.20 115.02 1mfn s ILE 149 Ca 0.20 -0.13 0.06 0.00 -1.10 0.00 0.00 60.65 59.67 1mfn s ILE 149 Cb 0.04 -0.59 0.03 0.00 -1.06 0.00 0.00 42.46 40.88 1mfn s ILE 149 CO 0.01 -0.18 0.40 0.20 -0.10 0.00 0.00 174.94 175.27 1mfn s ASN 150 N 2.09 4.66 -0.78 3.58 0.01 -1.26 -1.18 114.94 122.06 1mfn s ASN 150 Ca 0.02 -1.19 -0.01 0.00 -0.71 0.00 0.00 52.86 50.97 1mfn s ASN 150 Cb -0.15 0.30 -0.00 0.00 0.41 0.00 0.00 41.25 41.80 1mfn s ASN 150 CO -0.08 -1.05 0.69 0.59 -1.51 0.00 0.00 177.10 175.74 1mfn n ASN 151 N -1.73 -6.99 -4.34 -1.22 4.13 -0.64 -4.89 115.26 99.58 1mfn n ASN 151 Ca -0.01 -0.33 -0.18 0.00 1.68 0.00 0.00 54.58 55.74 1mfn n ASN 151 Cb 0.64 -4.38 -0.10 0.00 -1.54 0.00 0.00 39.78 34.40 1mfn n ASN 151 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1mfn s ILE 152 N -3.02 1.29 -0.42 2.41 2.07 -0.99 -5.00 121.20 117.53 1mfn s ILE 152 Ca 0.03 -2.08 -0.19 0.00 -1.41 0.00 0.00 60.65 57.00 1mfn s ILE 152 Cb -0.01 -2.26 0.02 0.00 0.13 0.00 0.00 42.46 40.35 1mfn s ILE 152 CO 0.79 -0.42 0.53 -0.75 -1.91 0.00 0.00 174.94 173.18 1mfn s LYS 153 N -3.79 3.25 0.51 3.50 2.47 -1.26 -4.69 119.74 119.74 1mfn s LYS 153 Ca 0.26 -0.52 -0.17 0.00 -1.56 0.00 0.00 55.97 53.98 1mfn s LYS 153 Cb 0.04 -3.94 -0.08 0.00 -1.46 0.00 0.00 37.83 32.40 1mfn s LYS 153 CO 0.08 -0.88 1.00 -1.25 0.16 0.00 0.00 175.35 174.46 1mfn s PRO 154 N 2.44 3.85 -0.23 4.03 0.04 -1.26 -4.45 135.00 139.42 1mfn s PRO 154 Ca 0.17 1.07 -0.01 0.00 0.04 0.00 0.00 61.00 62.27 1mfn s PRO 154 Cb -0.16 -2.12 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 1mfn s PRO 154 CO 0.16 -0.36 0.21 0.41 0.04 0.00 0.00 177.00 177.46 1mfn n GLY 155 N -1.18 0.02 0.00 0.56 0.00 -0.88 -5.01 105.19 98.69 1mfn n GLY 155 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1mfn n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mfn n ALA 156 N -1.63 0.00 -1.66 4.61 0.00 -0.88 -4.96 120.51 115.99 1mfn n ALA 156 Ca -0.01 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.97 1mfn n ALA 156 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 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 2.58 -4.80 0.00 2.03 -1.26 -2.46 116.55 112.64 1mfn n ASP 157 Ca 0.00 1.13 -0.30 0.00 0.52 0.00 0.00 54.79 56.14 1mfn n ASP 157 Cb 0.00 -1.39 -0.06 0.00 -0.72 0.00 0.00 41.12 38.95 1mfn n ASP 157 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1mfn s TYR 158 N 0.07 1.89 -0.30 -0.67 1.51 0.51 -2.19 117.35 118.17 1mfn s TYR 158 Ca 0.71 -0.87 -0.02 0.00 -1.01 0.00 0.00 57.07 55.88 1mfn s TYR 158 Cb -0.69 -1.75 0.12 0.00 -0.11 0.00 0.00 41.96 39.53 1mfn s TYR 158 CO 0.48 0.01 0.22 0.99 -1.11 0.00 0.00 175.55 176.15 1mfn s THR 159 N -2.81 -0.21 -0.14 -0.71 2.01 0.24 -1.76 115.64 112.26 1mfn s THR 159 Ca 0.19 -0.74 -0.25 0.00 0.31 0.00 0.00 61.69 61.21 1mfn s THR 159 Cb 0.01 -0.97 -0.02 0.00 0.01 0.00 0.00 72.50 71.53 1mfn s THR 159 CO 0.11 -0.63 0.80 -0.63 -0.69 0.00 0.00 174.62 173.58 1mfn s ILE 160 N 2.08 4.93 0.28 1.82 -1.09 0.21 0.14 121.20 129.57 1mfn s ILE 160 Ca 0.10 1.59 0.02 0.00 -2.23 0.00 0.00 60.65 60.13 1mfn s ILE 160 Cb -0.16 -4.11 -0.05 0.00 -1.58 0.00 0.00 42.46 36.56 1mfn s ILE 160 CO -0.30 0.09 0.09 -0.89 -1.23 0.00 0.00 174.94 172.71 1mfn s THR 161 N 1.76 0.65 -0.14 2.92 2.01 -0.79 0.17 115.64 122.23 1mfn s THR 161 Ca 0.38 -2.00 -0.30 0.00 0.31 0.00 0.00 61.69 60.08 1mfn s THR 161 Cb -0.17 -2.65 0.12 0.00 0.01 0.00 0.00 72.50 69.81 1mfn s THR 161 CO 0.15 0.00 0.96 -1.48 -0.69 0.00 0.00 174.62 173.55 1mfn s LEU 162 N -3.36 -0.40 -0.15 4.42 0.05 -0.64 0.20 118.68 118.81 1mfn s LEU 162 Ca 0.37 0.41 0.00 0.00 0.05 0.00 0.00 54.13 54.96 1mfn s LEU 162 Cb 0.08 1.94 0.02 0.00 -2.05 0.00 0.00 46.19 46.18 1mfn s LEU 162 CO 0.14 -0.39 -0.14 -0.31 -0.55 0.00 0.00 176.35 175.10 1mfn s TYR 163 N -1.25 2.18 -0.33 3.48 1.51 0.83 -2.52 117.35 121.26 1mfn s TYR 163 Ca -0.02 -1.23 -0.25 0.00 -1.01 0.00 0.00 57.07 54.56 1mfn s TYR 163 Cb -0.00 -1.60 0.01 0.00 -0.11 0.00 0.00 41.96 40.25 1mfn s TYR 163 CO 0.02 -0.67 0.86 0.00 -1.11 0.00 0.00 175.55 174.65 1mfn s ALA 164 N 1.48 3.49 -0.09 3.71 0.00 -1.26 -0.19 121.76 128.90 1mfn s ALA 164 Ca 0.05 -0.40 -0.15 0.00 0.00 0.00 0.00 51.96 51.46 1mfn s ALA 164 Cb -0.13 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 1mfn s ALA 164 CO -0.11 -1.36 0.38 0.08 0.00 0.00 0.00 175.76 174.75 1mfn s VAL 165 N 3.19 5.17 -0.09 0.00 1.01 0.02 -3.20 120.40 126.50 1mfn s VAL 165 Ca 0.35 0.76 0.01 0.00 0.00 0.00 0.00 61.98 63.11 1mfn s VAL 165 Cb -0.13 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.48 1mfn s VAL 165 CO 0.15 0.45 -0.07 0.35 0.00 0.00 0.00 175.10 175.97 1mfn n THR 166 N 2.88 0.53 -3.94 3.92 -2.24 -1.07 -2.09 114.28 112.26 1mfn n THR 166 Ca -0.12 -0.21 -0.37 0.00 -2.27 0.00 0.00 64.05 61.09 1mfn n THR 166 Cb 0.52 -0.83 -0.07 0.00 -2.10 0.00 0.00 70.33 67.86 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 -4.82 2.11 -0.37 3.38 0.00 -1.24 -4.29 107.32 102.08 1mfn s GLY 167 Ca -0.12 -0.67 0.12 0.00 0.00 0.00 0.00 44.72 44.06 1mfn s GLY 167 CO 0.22 -0.37 0.81 0.54 0.00 0.00 0.00 173.10 174.30 1mfn n ARG 168 N 2.10 1.00 0.00 2.90 1.74 -1.26 -3.62 116.66 119.52 1mfn n ARG 168 Ca -0.20 -3.19 0.00 0.00 -0.77 0.00 0.00 57.85 53.70 1mfn n ARG 168 Cb 0.55 -1.54 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 1mfn n ARG 168 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1mfn n GLY 169 N 0.22 2.03 0.57 -0.13 0.00 -1.26 -4.96 105.19 101.67 1mfn n GLY 169 Ca 0.20 0.27 0.03 0.00 0.00 0.00 0.00 46.02 46.53 1mfn n GLY 169 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mfn n ASP 170 N 0.00 1.60 -2.73 1.61 9.92 -1.26 -4.28 116.55 121.42 1mfn n ASP 170 Ca 0.00 -2.08 -0.07 0.00 -0.53 0.00 0.00 54.79 52.11 1mfn n ASP 170 Cb 0.00 -0.27 0.06 0.00 -0.64 0.00 0.00 41.12 40.27 1mfn n ASP 170 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1mfn n SER 171 N 0.19 -2.46 -4.59 -2.24 7.64 -1.26 -5.11 113.62 105.80 1mfn n SER 171 Ca 0.08 -2.92 -0.42 0.00 1.01 0.00 0.00 58.87 56.62 1mfn n SER 171 Cb 0.29 1.55 -0.02 0.00 -1.01 0.00 0.00 64.21 65.02 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 0.53 3.50 0.36 1.43 0.04 -1.26 -4.41 135.00 135.19 1mfn s PRO 172 Ca 0.30 0.49 0.07 0.00 0.04 0.00 0.00 61.00 61.91 1mfn s PRO 172 Cb 0.23 -4.03 -0.02 0.00 0.04 0.00 0.00 34.50 30.72 1mfn s PRO 172 CO -0.20 -1.68 0.35 0.00 0.04 0.00 0.00 177.00 175.51 1mfn s ALA 173 N 5.28 3.98 -0.30 8.56 0.00 -1.24 -4.86 121.76 133.19 1mfn s ALA 173 Ca 0.50 -1.70 -0.12 0.00 0.00 0.00 0.00 51.96 50.65 1mfn s ALA 173 Cb -0.09 -1.21 0.12 0.00 0.00 0.00 0.00 23.12 21.94 1mfn s ALA 173 CO 0.28 -0.08 0.67 -1.54 0.00 0.00 0.00 175.76 175.09 1mfn s SER 174 N -4.07 -1.09 0.69 0.00 1.04 -1.26 -2.61 113.70 106.40 1mfn s SER 174 Ca 0.44 1.54 0.00 0.00 0.48 0.00 0.00 55.95 58.42 1mfn s SER 174 Cb -0.06 2.07 0.00 0.00 0.10 0.00 0.00 66.02 68.13 1mfn s SER 174 CO 0.28 -0.22 0.00 -1.54 0.98 0.00 0.00 173.24 172.74 1mfn n SER 175 N 5.16 -1.38 -4.80 7.02 3.41 -1.19 -4.89 113.62 116.95 1mfn n SER 175 Ca -0.14 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.11 1mfn n SER 175 Cb 0.52 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.40 1mfn n SER 175 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1mfn s LYS 176 N -2.06 4.44 0.24 4.33 2.20 -1.26 -4.76 119.74 122.87 1mfn s LYS 176 Ca 0.00 1.19 -0.30 0.00 -0.36 0.00 0.00 55.97 56.51 1mfn s LYS 176 Cb 0.00 -2.65 -0.09 0.00 -1.51 0.00 0.00 37.83 33.58 1mfn s LYS 176 CO 0.00 0.22 1.02 -1.25 -0.36 0.00 0.00 175.35 174.98 1mfn s PRO 177 N -2.34 4.73 -0.06 4.03 0.04 -1.26 -4.78 135.00 135.37 1mfn s PRO 177 Ca 0.52 1.64 0.03 0.00 0.04 0.00 0.00 61.00 63.23 1mfn s PRO 177 Cb -0.16 -3.25 -0.03 0.00 0.04 0.00 0.00 34.50 31.11 1mfn s PRO 177 CO 0.21 0.32 -0.13 0.08 0.04 0.00 0.00 177.00 177.52 1mfn s VAL 178 N -0.98 3.18 -0.03 -0.36 1.01 -1.05 -4.91 120.40 117.26 1mfn s VAL 178 Ca 0.44 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.77 1mfn s VAL 178 Cb -0.29 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 33.83 1mfn s VAL 178 CO 0.36 0.59 -0.11 -0.44 0.00 0.00 0.00 175.10 175.49 1mfn s SER 179 N -0.65 1.47 0.13 3.32 0.01 -1.26 -1.61 113.70 115.11 1mfn s SER 179 Ca 0.10 -0.23 0.08 0.00 1.31 0.00 0.00 55.95 57.21 1mfn s SER 179 Cb -0.11 -0.38 -0.04 0.00 0.21 0.00 0.00 66.02 65.70 1mfn s SER 179 CO 0.01 0.09 -0.20 0.27 0.41 0.00 0.00 173.24 173.83 1mfn s ILE 180 N 0.12 1.75 0.53 1.44 -4.36 0.46 -4.93 121.20 116.20 1mfn s ILE 180 Ca -0.03 -1.69 -0.07 0.00 -0.26 0.00 0.00 60.65 58.61 1mfn s ILE 180 Cb -0.09 -1.66 -0.03 0.00 1.25 0.00 0.00 42.46 41.92 1mfn s ILE 180 CO 0.01 -0.16 0.86 0.20 0.24 0.00 0.00 174.94 176.09 1mfn s ASN 181 N -2.21 6.17 -0.29 4.36 -0.87 -1.26 0.65 114.94 121.49 1mfn s ASN 181 Ca 0.10 1.03 -0.07 0.00 -1.57 0.00 0.00 52.86 52.35 1mfn s ASN 181 Cb -0.08 -2.24 0.15 0.00 -0.02 0.00 0.00 41.25 39.06 1mfn s ASN 181 CO 0.05 -0.71 0.61 -0.47 -2.57 0.00 0.00 177.10 174.01 1mfn s TYR 182 N -2.88 -1.38 -0.39 2.20 5.04 -0.73 -4.77 117.35 114.43 1mfn s TYR 182 Ca 0.50 2.04 -0.25 0.00 -2.44 0.00 0.00 57.07 56.92 1mfn s TYR 182 Cb -0.10 0.68 0.02 0.00 0.35 0.00 0.00 41.96 42.90 1mfn s TYR 182 CO 0.47 -0.73 0.91 0.21 -1.34 0.00 0.00 175.55 175.07 1mfn s LYS 183 N 2.86 3.74 0.00 4.97 2.20 -1.26 0.19 119.74 132.44 1mfn s LYS 183 Ca 0.04 0.43 0.30 0.00 -0.36 0.00 0.00 55.97 56.37 1mfn s LYS 183 Cb -0.13 -3.84 1.46 0.00 -1.51 0.00 0.00 37.83 33.81 1mfn s LYS 183 CO -0.19 -1.01 1.98 0.25 -0.36 0.00 0.00 175.35 176.02