#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 -0.51 -0.18 0.99 2.34 -1.26 -5.06 118.68 115.00 1mfn s LEU 2 Ca 0.00 0.60 -0.25 0.00 0.06 0.00 0.00 54.13 54.54 1mfn s LEU 2 Cb 0.00 2.17 -0.01 0.00 -0.56 0.00 0.00 46.19 47.78 1mfn s LEU 2 CO 0.00 -0.44 0.81 -1.81 -1.06 0.00 0.00 176.35 173.85 1mfn s ASP 3 N -1.01 6.91 0.64 1.48 1.01 -1.26 -4.67 116.67 119.77 1mfn s ASP 3 Ca -0.05 1.12 0.04 0.00 0.71 0.00 0.00 52.55 54.37 1mfn s ASP 3 Cb -0.01 -2.44 0.10 0.00 1.01 0.00 0.00 42.92 41.58 1mfn s ASP 3 CO 0.05 -0.40 0.88 -0.94 0.21 0.00 0.00 175.17 174.96 1mfn s SER 4 N 1.19 4.75 0.39 0.27 1.04 -1.26 -4.57 113.70 115.51 1mfn s SER 4 Ca 0.37 -0.56 -0.23 0.00 0.48 0.00 0.00 55.95 56.00 1mfn s SER 4 Cb -0.16 0.06 -0.10 0.00 0.10 0.00 0.00 66.02 65.92 1mfn s SER 4 CO 0.11 -1.57 0.97 -2.16 0.98 0.00 0.00 173.24 171.57 1mfn s PRO 5 N -4.89 4.33 0.02 4.02 0.04 -1.26 -4.68 135.00 132.58 1mfn s PRO 5 Ca 0.64 1.29 -0.01 0.00 0.04 0.00 0.00 61.00 62.95 1mfn s PRO 5 Cb -0.06 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 32.00 1mfn s PRO 5 CO 0.41 0.05 0.04 0.25 0.04 0.00 0.00 177.00 177.79 1mfn n THR 6 N -0.09 0.00 -2.97 1.26 -2.24 -1.26 -4.66 114.28 104.33 1mfn n THR 6 Ca 0.05 -0.05 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1mfn n THR 6 Cb 0.52 0.05 -0.01 0.00 -2.10 0.00 0.00 70.33 68.78 1mfn n THR 6 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mfn n GLY 7 N -0.03 -0.48 0.00 3.38 0.00 -1.26 -4.52 105.19 102.28 1mfn n GLY 7 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1mfn n GLY 7 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1mfn n PHE 8 N -3.18 -2.75 -3.63 1.61 -1.74 -1.26 -4.86 117.46 101.64 1mfn n PHE 8 Ca -0.01 0.00 -0.04 0.00 -0.56 0.00 0.00 57.45 56.84 1mfn n PHE 8 Cb 0.52 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.46 1mfn n PHE 8 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1mfn s ASP 9 N -1.25 -0.71 0.09 5.98 2.15 -0.83 -4.98 116.67 117.12 1mfn s ASP 9 Ca 0.00 1.12 -0.20 0.00 0.43 0.00 0.00 52.55 53.90 1mfn s ASP 9 Cb 0.00 1.35 -0.07 0.00 -0.30 0.00 0.00 42.92 43.90 1mfn s ASP 9 CO 0.00 -0.17 0.60 -0.44 -0.17 0.00 0.00 175.17 174.99 1mfn s SER 10 N 1.58 7.11 0.00 -0.34 0.01 -1.26 -1.46 113.70 119.34 1mfn s SER 10 Ca -0.09 1.32 0.00 0.00 1.31 0.00 0.00 55.95 58.49 1mfn s SER 10 Cb -0.05 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1mfn s SER 10 CO -0.17 0.26 0.00 -1.54 0.41 0.00 0.00 173.24 172.20 1mfn n SER 11 N 1.69 0.00 -4.25 2.44 3.41 -0.55 -4.86 113.62 111.49 1mfn n SER 11 Ca -0.10 -0.25 -0.37 0.00 -0.26 0.00 0.00 58.87 57.89 1mfn n SER 11 Cb 0.50 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.42 1mfn n SER 11 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1mfn n ASP 12 N -0.56 -3.04 -4.56 4.04 8.00 -1.26 -0.57 116.55 118.61 1mfn n ASP 12 Ca 0.00 -1.03 -0.33 0.00 0.71 0.00 0.00 54.79 54.14 1mfn n ASP 12 Cb 0.00 -2.51 -0.04 0.00 -0.02 0.00 0.00 41.12 38.55 1mfn n ASP 12 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1mfn s ILE 13 N -3.25 3.58 0.49 0.53 -1.09 -1.26 -1.62 121.20 118.58 1mfn s ILE 13 Ca 0.76 -0.33 0.00 0.00 -2.23 0.00 0.00 60.65 58.85 1mfn s ILE 13 Cb -0.42 -4.35 0.01 0.00 -1.58 0.00 0.00 42.46 36.12 1mfn s ILE 13 CO 0.93 -1.28 0.71 -0.89 -1.23 0.00 0.00 174.94 173.18 1mfn s THR 14 N 8.21 3.53 0.00 2.92 2.01 0.93 -4.48 115.64 128.74 1mfn s THR 14 Ca 0.60 -0.54 0.00 0.00 0.31 0.00 0.00 61.69 62.06 1mfn s THR 14 Cb -0.06 -3.31 0.00 0.00 0.01 0.00 0.00 72.50 69.14 1mfn s THR 14 CO 0.01 -0.22 0.61 0.00 -0.69 0.00 0.00 174.62 174.33 1mfn n ALA 15 N -2.19 -0.09 1.70 7.40 0.00 -1.26 -2.91 120.51 123.17 1mfn n ALA 15 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.61 1mfn n ALA 15 Cb 0.58 0.06 0.81 0.00 0.00 0.00 0.00 19.45 20.90 1mfn n ALA 15 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1mfn n ASN 16 N -0.95 0.00 -3.69 0.00 4.13 -1.26 -4.05 115.26 109.44 1mfn n ASN 16 Ca 0.00 -0.84 -0.15 0.00 1.68 0.00 0.00 54.58 55.27 1mfn n ASN 16 Cb 0.00 -0.00 -0.14 0.00 -1.54 0.00 0.00 39.78 38.09 1mfn n ASN 16 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1mfn s SER 17 N -2.01 0.33 -0.02 6.41 1.04 -1.14 -0.64 113.70 117.67 1mfn s SER 17 Ca 0.41 0.41 0.02 0.00 0.48 0.00 0.00 55.95 57.27 1mfn s SER 17 Cb 0.19 0.37 0.01 0.00 0.10 0.00 0.00 66.02 66.69 1mfn s SER 17 CO 0.32 -0.21 -0.05 0.72 0.98 0.00 0.00 173.24 174.99 1mfn s PHE 18 N 1.94 0.60 0.43 5.02 -0.12 -0.44 0.31 117.98 125.72 1mfn s PHE 18 Ca -0.02 -0.13 -0.08 0.00 -0.05 0.00 0.00 56.93 56.66 1mfn s PHE 18 Cb -0.12 -0.46 -0.05 0.00 -0.63 0.00 0.00 43.02 41.76 1mfn s PHE 18 CO -0.07 -0.07 0.76 0.99 -0.05 0.00 0.00 175.22 176.78 1mfn s THR 19 N 0.26 4.86 -0.32 -4.49 2.01 0.27 -1.65 115.64 116.58 1mfn s THR 19 Ca -0.03 0.39 -0.02 0.00 0.31 0.00 0.00 61.69 62.35 1mfn s THR 19 Cb -0.07 -3.79 0.11 0.00 0.01 0.00 0.00 72.50 68.76 1mfn s THR 19 CO -0.00 -0.64 0.13 -0.69 -0.69 0.00 0.00 174.62 172.73 1mfn s VAL 20 N -2.51 0.50 0.53 3.82 1.01 -0.84 -1.48 120.40 121.44 1mfn s VAL 20 Ca 0.49 -1.31 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 1mfn s VAL 20 Cb -0.10 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 1mfn s VAL 20 CO 0.37 -0.75 0.83 -1.00 0.00 0.00 0.00 175.10 174.54 1mfn s HIS 21 N 1.62 3.35 -0.29 5.22 3.76 -0.53 -2.34 115.29 126.07 1mfn s HIS 21 Ca 0.11 0.63 -0.25 0.00 -0.15 0.00 0.00 55.06 55.40 1mfn s HIS 21 Cb -0.18 -2.53 0.17 0.00 1.11 0.00 0.00 32.58 31.15 1mfn s HIS 21 CO -0.24 -0.57 1.30 1.67 -0.85 0.00 0.00 174.74 176.04 1mfn s TRP 22 N -2.84 -0.21 0.73 1.40 -2.14 0.21 -1.97 118.94 114.13 1mfn s TRP 22 Ca 0.51 0.50 -0.11 0.00 2.66 0.00 0.00 56.10 59.66 1mfn s TRP 22 Cb -0.10 0.44 0.03 0.00 -3.10 0.00 0.00 33.47 30.74 1mfn s TRP 22 CO 0.44 -0.10 1.07 0.08 -2.66 0.00 0.00 176.95 175.78 1mfn s VAL 23 N 0.10 3.69 0.09 -0.66 1.01 -1.26 -4.57 120.40 118.79 1mfn s VAL 23 Ca 0.06 0.55 0.02 0.00 0.00 0.00 0.00 61.98 62.60 1mfn s VAL 23 Cb -0.05 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1mfn s VAL 23 CO -0.12 -0.72 0.17 0.00 0.00 0.00 0.00 175.10 174.43 1mfn s ALA 24 N -3.04 3.83 0.50 5.51 0.00 -1.26 -4.48 121.76 122.82 1mfn s ALA 24 Ca 0.59 -0.95 -0.18 0.00 0.00 0.00 0.00 51.96 51.42 1mfn s ALA 24 Cb -0.15 -1.66 -0.08 0.00 0.00 0.00 0.00 23.12 21.23 1mfn s ALA 24 CO 0.55 0.74 0.99 -1.25 0.00 0.00 0.00 175.76 176.80 1mfn s PRO 25 N -2.61 3.91 -0.25 0.00 0.04 -1.26 -4.93 135.00 129.91 1mfn s PRO 25 Ca 0.33 1.08 0.04 0.00 0.04 0.00 0.00 61.00 62.50 1mfn s PRO 25 Cb -0.12 -2.13 0.45 0.00 0.04 0.00 0.00 34.50 32.75 1mfn s PRO 25 CO 0.26 -0.31 1.50 0.54 0.04 0.00 0.00 177.00 179.03 1mfn n ARG 26 N -1.33 2.30 -3.48 4.56 5.12 -1.26 -4.91 116.66 117.66 1mfn n ARG 26 Ca 0.07 -1.94 -0.22 0.00 -1.93 0.00 0.00 57.85 53.83 1mfn n ARG 26 Cb 0.54 -1.82 0.01 0.00 -1.16 0.00 0.00 32.46 30.02 1mfn n ARG 26 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1mfn s ALA 27 N -2.10 4.41 -0.74 7.54 0.00 -1.26 -5.04 121.76 124.57 1mfn s ALA 27 Ca 0.36 -1.73 -0.26 0.00 0.00 0.00 0.00 51.96 50.32 1mfn s ALA 27 Cb 0.29 -1.10 0.02 0.00 0.00 0.00 0.00 23.12 22.34 1mfn s ALA 27 CO 0.08 -0.49 1.42 -1.25 0.00 0.00 0.00 175.76 175.53 1mfn s PRO 28 N -4.35 3.10 0.39 0.00 0.04 -1.26 -4.98 135.00 127.94 1mfn s PRO 28 Ca 0.48 -0.15 0.04 0.00 0.04 0.00 0.00 61.00 61.40 1mfn s PRO 28 Cb -0.04 -4.35 -0.04 0.00 0.04 0.00 0.00 34.50 30.11 1mfn s PRO 28 CO 0.29 -2.30 0.07 0.96 0.04 0.00 0.00 177.00 176.06 1mfn s ILE 29 N 6.43 1.06 -0.04 0.56 -4.36 -1.26 -4.80 121.20 118.78 1mfn s ILE 29 Ca 0.43 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.88 1mfn s ILE 29 Cb -0.08 -2.58 -0.09 0.00 1.25 0.00 0.00 42.46 40.96 1mfn s ILE 29 CO 0.13 0.00 0.15 0.35 0.24 0.00 0.00 174.94 175.82 1mfn n THR 30 N -0.86 0.00 0.00 8.37 -2.24 -0.98 -4.96 114.28 113.61 1mfn n THR 30 Ca -0.06 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1mfn n THR 30 Cb 0.66 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 1mfn n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mfn n GLY 31 N 2.02 1.76 3.46 3.38 0.00 -1.25 -3.81 105.19 110.74 1mfn n GLY 31 Ca -0.01 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 1mfn n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mfn s TYR 32 N -2.00 2.85 -0.14 1.61 2.02 -0.91 -2.97 117.35 117.81 1mfn s TYR 32 Ca 0.00 -0.34 -0.21 0.00 -0.37 0.00 0.00 57.07 56.15 1mfn s TYR 32 Cb 0.00 -1.79 -0.03 0.00 -0.40 0.00 0.00 41.96 39.74 1mfn s TYR 32 CO 0.00 0.02 0.64 0.42 -1.57 0.00 0.00 175.55 175.05 1mfn s ILE 33 N -0.12 5.05 -0.36 2.71 1.01 0.14 -1.42 121.20 128.21 1mfn s ILE 33 Ca -0.00 1.25 -0.11 0.00 0.00 0.00 0.00 60.65 61.79 1mfn s ILE 33 Cb -0.13 -3.96 0.02 0.00 0.01 0.00 0.00 42.46 38.39 1mfn s ILE 33 CO 0.03 0.19 0.20 -0.63 0.00 0.00 0.00 174.94 174.73 1mfn s ILE 34 N 1.32 4.60 -0.27 2.92 -1.09 0.10 0.25 121.20 129.04 1mfn s ILE 34 Ca 0.32 -0.77 0.03 0.00 -2.23 0.00 0.00 60.65 57.99 1mfn s ILE 34 Cb -0.16 -3.53 0.07 0.00 -1.58 0.00 0.00 42.46 37.26 1mfn s ILE 34 CO 0.13 -0.18 -0.07 -0.60 -1.23 0.00 0.00 174.94 172.99 1mfn s ARG 35 N 1.57 1.93 0.42 2.79 3.52 0.35 0.84 118.95 130.37 1mfn s ARG 35 Ca 0.03 -1.34 0.07 0.00 -0.13 0.00 0.00 55.73 54.35 1mfn s ARG 35 Cb -0.19 -2.84 -0.06 0.00 -1.56 0.00 0.00 34.95 30.30 1mfn s ARG 35 CO 0.07 -0.65 0.08 -3.38 -0.81 0.00 0.00 175.30 170.61 1mfn s HIS 36 N 1.15 2.49 -0.30 5.12 -3.43 -0.65 0.22 115.29 119.89 1mfn s HIS 36 Ca -0.05 -0.66 -0.16 0.00 -0.80 0.00 0.00 55.06 53.39 1mfn s HIS 36 Cb -0.19 -1.84 0.22 0.00 -1.43 0.00 0.00 32.58 29.33 1mfn s HIS 36 CO -0.06 0.31 1.30 -3.38 -2.00 0.00 0.00 174.74 170.90 1mfn s HIS 37 N -2.68 -0.02 0.00 0.38 -3.43 0.50 -0.59 115.29 109.45 1mfn s HIS 37 Ca 0.35 0.04 0.00 0.00 -0.80 0.00 0.00 55.06 54.65 1mfn s HIS 37 Cb 0.07 0.03 0.00 0.00 -1.43 0.00 0.00 32.58 31.25 1mfn s HIS 37 CO 0.19 -0.01 0.00 0.00 -2.00 0.00 0.00 174.74 172.92 1mfn n ALA 38 N 2.97 0.00 -0.97 -1.38 0.00 -1.26 -0.74 120.51 119.13 1mfn n ALA 38 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1mfn n ALA 38 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1mfn n ALA 38 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1mfn n GLU 39 N -1.32 0.00 -2.70 0.00 0.00 -1.24 -4.48 120.64 110.90 1mfn n GLU 39 Ca 0.00 0.34 -0.07 0.00 0.00 0.00 0.00 57.16 57.43 1mfn n GLU 39 Cb 0.00 -1.01 0.09 0.00 0.00 0.00 0.00 31.44 30.52 1mfn n GLU 39 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 1mfn n HIS 40 N -0.87 -2.05 -0.39 -1.84 1.44 -1.26 -4.96 115.22 105.29 1mfn n HIS 40 Ca 0.00 -1.66 0.11 0.00 -2.01 0.00 0.00 57.72 54.15 1mfn n HIS 40 Cb 0.00 1.50 0.31 0.00 0.12 0.00 0.00 29.99 31.92 1mfn n HIS 40 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1mfn n SER 41 N -0.06 3.96 -4.06 4.39 3.41 -1.26 -4.95 113.62 115.04 1mfn n SER 41 Ca -0.03 -2.05 -0.10 0.00 -0.26 0.00 0.00 58.87 56.43 1mfn n SER 41 Cb 0.75 -0.48 -0.09 0.00 -0.26 0.00 0.00 64.21 64.14 1mfn n SER 41 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1mfn s VAL 42 N -1.10 0.09 0.00 -3.33 0.11 -1.26 -5.10 120.40 109.81 1mfn s VAL 42 Ca 0.47 -1.66 0.00 0.00 -2.93 0.00 0.00 61.98 57.86 1mfn s VAL 42 Cb 0.25 -1.92 0.00 0.00 -1.53 0.00 0.00 36.38 33.18 1mfn s VAL 42 CO 0.31 -0.41 0.10 0.61 -3.33 0.00 0.00 175.10 172.38 1mfn n GLY 43 N -0.14 -0.38 3.87 6.54 0.00 -1.26 -4.86 105.19 108.96 1mfn n GLY 43 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 1mfn n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mfn s ARG 44 N -1.00 3.78 0.72 1.61 0.52 -1.26 -5.08 118.95 118.24 1mfn s ARG 44 Ca 0.00 0.21 -0.11 0.00 -0.52 0.00 0.00 55.73 55.30 1mfn s ARG 44 Cb 0.00 -2.96 0.02 0.00 0.52 0.00 0.00 34.95 32.53 1mfn s ARG 44 CO 0.00 0.53 1.08 -1.25 0.02 0.00 0.00 175.30 175.68 1mfn s PRO 45 N -2.02 2.77 0.01 3.54 0.04 -1.26 -5.00 135.00 133.08 1mfn s PRO 45 Ca 0.35 0.63 -0.30 0.00 0.04 0.00 0.00 61.00 61.72 1mfn s PRO 45 Cb -0.14 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 1mfn s PRO 45 CO 0.19 -1.13 1.20 1.03 0.04 0.00 0.00 177.00 178.32 1mfn s ARG 46 N -5.23 4.40 -0.78 4.56 1.81 0.24 -4.92 118.95 119.04 1mfn s ARG 46 Ca 0.58 1.72 -0.03 0.00 -1.72 0.00 0.00 55.73 56.28 1mfn s ARG 46 Cb -0.12 -3.45 0.20 0.00 -0.45 0.00 0.00 34.95 31.12 1mfn s ARG 46 CO 0.53 -0.34 0.65 -0.65 -0.68 0.00 0.00 175.30 174.81 1mfn s GLN 47 N 1.60 3.04 -0.54 3.54 -0.21 -1.26 -1.63 119.66 124.19 1mfn s GLN 47 Ca 0.57 -2.91 -0.15 0.00 0.02 0.00 0.00 55.36 52.89 1mfn s GLN 47 Cb -0.27 -3.92 0.13 0.00 1.00 0.00 0.00 33.01 29.95 1mfn s GLN 47 CO 0.26 -1.23 0.49 -0.51 -2.12 0.00 0.00 175.29 172.18 1mfn s ASP 48 N 0.41 6.15 0.04 5.90 1.01 0.25 -4.95 116.67 125.48 1mfn s ASP 48 Ca 0.22 -1.82 -0.25 0.00 0.71 0.00 0.00 52.55 51.42 1mfn s ASP 48 Cb -0.13 -2.19 -0.05 0.00 1.01 0.00 0.00 42.92 41.56 1mfn s ASP 48 CO -0.08 -0.84 0.76 -0.13 0.21 0.00 0.00 175.17 175.09 1mfn s ARG 49 N 1.55 4.49 0.27 8.23 3.00 -1.26 -0.72 118.95 134.52 1mfn s ARG 49 Ca 0.03 1.06 0.12 0.00 0.00 0.00 0.00 55.73 56.94 1mfn s ARG 49 Cb -0.29 -3.36 -0.05 0.00 0.00 0.00 0.00 34.95 31.24 1mfn s ARG 49 CO 0.02 0.28 -0.17 0.14 0.00 0.00 0.00 175.30 175.57 1mfn s VAL 50 N -0.04 2.62 0.96 3.52 -7.23 -0.50 -4.84 120.40 114.87 1mfn s VAL 50 Ca 0.38 -2.32 -0.15 0.00 -1.81 0.00 0.00 61.98 58.09 1mfn s VAL 50 Cb -0.20 -2.37 0.17 0.00 0.56 0.00 0.00 36.38 34.54 1mfn s VAL 50 CO 0.23 -0.38 1.21 -2.16 -0.31 0.00 0.00 175.10 173.69 1mfn s PRO 51 N -3.49 0.75 0.27 4.82 0.04 -1.26 -2.14 135.00 133.99 1mfn s PRO 51 Ca 0.30 -0.06 0.26 0.00 0.04 0.00 0.00 61.00 61.53 1mfn s PRO 51 Cb -0.05 -1.83 0.83 0.00 0.04 0.00 0.00 34.50 33.49 1mfn s PRO 51 CO 0.15 -2.40 1.75 -1.00 0.04 0.00 0.00 177.00 175.55 1mfn h PRO 52 N -1.64 0.00 -0.87 0.56 0.13 -1.89 -3.12 132.00 125.17 1mfn h PRO 52 Ca -0.46 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.57 1mfn h PRO 52 Cb 1.29 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.37 1mfn h PRO 52 CO 0.50 0.00 0.11 0.45 -0.23 0.00 0.00 178.00 178.83 1mfn n SER 53 N -2.40 3.37 -3.66 1.44 2.88 -1.26 -4.71 113.62 109.27 1mfn n SER 53 Ca 0.04 -2.58 -0.27 0.00 -1.33 0.00 0.00 58.87 54.73 1mfn n SER 53 Cb 0.38 -0.62 -0.17 0.00 -0.75 0.00 0.00 64.21 63.06 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 -1.79 0.33 0.00 -1.46 1.81 -1.18 -4.97 118.95 111.69 1mfn s ARG 54 Ca 0.27 -0.26 0.24 0.00 -1.72 0.00 0.00 55.73 54.26 1mfn s ARG 54 Cb 0.22 -1.93 0.27 0.00 -0.45 0.00 0.00 34.95 33.06 1mfn s ARG 54 CO 0.07 -0.68 1.26 0.27 -0.68 0.00 0.00 175.30 175.54 1mfn n ASN 55 N 5.17 1.22 -3.79 0.23 0.23 -1.26 -4.85 115.26 112.21 1mfn n ASN 55 Ca -0.08 -0.98 -0.16 0.00 -0.53 0.00 0.00 54.58 52.84 1mfn n ASN 55 Cb 0.48 0.44 -0.16 0.00 -2.08 0.00 0.00 39.78 38.46 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 -2.70 0.26 -0.19 0.53 1.04 -1.26 0.64 113.70 112.02 1mfn s SER 56 Ca 0.17 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.61 1mfn s SER 56 Cb 0.18 -0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.18 1mfn s SER 56 CO 0.64 -0.12 -0.16 -0.51 0.98 0.00 0.00 173.24 174.07 1mfn s ILE 57 N 1.10 2.34 -0.49 -1.02 2.07 -0.99 -4.92 121.20 119.29 1mfn s ILE 57 Ca -0.09 -0.89 -0.25 0.00 -1.41 0.00 0.00 60.65 58.01 1mfn s ILE 57 Cb -0.13 -2.03 0.03 0.00 0.13 0.00 0.00 42.46 40.46 1mfn s ILE 57 CO -0.03 0.48 0.94 -0.89 -1.91 0.00 0.00 174.94 173.54 1mfn s THR 58 N 1.32 4.43 0.39 4.00 2.01 -1.26 -1.98 115.64 124.54 1mfn s THR 58 Ca 0.04 0.64 -0.14 0.00 0.31 0.00 0.00 61.69 62.54 1mfn s THR 58 Cb -0.14 -4.48 -0.08 0.00 0.01 0.00 0.00 72.50 67.82 1mfn s THR 58 CO -0.11 -0.93 0.80 -0.76 -0.69 0.00 0.00 174.62 172.93 1mfn s LEU 59 N 3.87 3.90 0.00 4.42 1.43 -0.66 -4.89 118.68 126.75 1mfn s LEU 59 Ca 0.36 1.29 0.04 0.00 -1.03 0.00 0.00 54.13 54.79 1mfn s LEU 59 Cb -0.11 -4.15 -0.02 0.00 0.03 0.00 0.00 46.19 41.95 1mfn s LEU 59 CO 0.25 -0.34 0.35 0.35 0.23 0.00 0.00 176.35 177.18 1mfn n THR 60 N -0.91 0.00 -1.38 5.49 -2.24 -1.26 -1.32 114.28 112.65 1mfn n THR 60 Ca 0.04 -2.21 -0.14 0.00 -2.27 0.00 0.00 64.05 59.47 1mfn n THR 60 Cb 0.54 1.18 -0.06 0.00 -2.10 0.00 0.00 70.33 69.88 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 -1.67 -4.61 -4.85 3.42 5.03 0.19 -4.86 115.26 107.92 1mfn n ASN 61 Ca 0.05 0.35 -0.36 0.00 0.87 0.00 0.00 54.58 55.49 1mfn n ASN 61 Cb 0.60 -3.91 -0.06 0.00 -1.02 0.00 0.00 39.78 35.39 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 -3.55 4.41 -0.18 3.41 1.43 -0.30 -4.98 118.68 118.92 1mfn s LEU 62 Ca 0.00 0.95 -0.40 0.00 -1.03 0.00 0.00 54.13 53.65 1mfn s LEU 62 Cb 0.00 -2.89 -0.17 0.00 0.03 0.00 0.00 46.19 43.16 1mfn s LEU 62 CO 0.00 0.22 1.53 -3.20 0.23 0.00 0.00 176.35 175.14 1mfn n ASN 63 N 1.28 1.72 -4.72 2.29 2.85 -1.26 -4.14 115.26 113.28 1mfn n ASN 63 Ca -0.10 1.12 -0.42 0.00 -0.11 0.00 0.00 54.58 55.07 1mfn n ASN 63 Cb 0.52 -1.09 -0.03 0.00 1.24 0.00 0.00 39.78 40.42 1mfn n ASN 63 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1mfn s PRO 64 N 2.20 4.54 -0.41 1.20 0.04 -1.26 -3.96 135.00 137.36 1mfn s PRO 64 Ca 0.95 1.61 -0.02 0.00 0.04 0.00 0.00 61.00 63.58 1mfn s PRO 64 Cb -1.13 -3.37 -0.02 0.00 0.04 0.00 0.00 34.50 30.02 1mfn s PRO 64 CO 0.62 -0.07 0.36 0.41 0.04 0.00 0.00 177.00 178.36 1mfn n GLY 65 N 2.76 -0.05 3.39 0.56 0.00 0.72 -4.50 105.19 108.06 1mfn n GLY 65 Ca 0.06 0.07 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.13 0.03 0.07 2.61 2.01 -0.73 -4.85 115.64 111.64 1mfn s THR 66 Ca 0.16 -0.22 -0.31 0.00 0.31 0.00 0.00 61.69 61.64 1mfn s THR 66 Cb -0.02 -0.81 -0.06 0.00 0.01 0.00 0.00 72.50 71.63 1mfn s THR 66 CO 0.30 -0.12 1.19 -1.61 -0.69 0.00 0.00 174.62 173.69 1mfn s GLU 67 N -1.15 4.44 -0.18 4.92 2.02 -1.26 0.25 118.70 127.75 1mfn s GLU 67 Ca -0.11 1.76 0.00 0.00 0.02 0.00 0.00 54.97 56.64 1mfn s GLU 67 Cb -0.03 -3.35 0.04 0.00 0.10 0.00 0.00 34.13 30.90 1mfn s GLU 67 CO 0.07 -0.23 -0.09 0.71 0.02 0.00 0.00 175.26 175.73 1mfn s TYR 68 N 0.98 2.12 -0.17 1.61 2.02 0.42 -3.60 117.35 120.73 1mfn s TYR 68 Ca 0.58 -1.34 -0.26 0.00 -0.37 0.00 0.00 57.07 55.68 1mfn s TYR 68 Cb -0.29 -1.52 -0.01 0.00 -0.40 0.00 0.00 41.96 39.74 1mfn s TYR 68 CO 0.30 -0.68 0.87 0.08 -1.57 0.00 0.00 175.55 174.54 1mfn s VAL 69 N 1.50 4.85 -0.19 0.71 1.01 0.08 -2.23 120.40 126.13 1mfn s VAL 69 Ca 0.01 1.71 -0.03 0.00 0.00 0.00 0.00 61.98 63.67 1mfn s VAL 69 Cb -0.15 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 1mfn s VAL 69 CO -0.08 0.00 -0.07 -0.69 0.00 0.00 0.00 175.10 174.26 1mfn s VAL 70 N 2.26 3.32 -0.20 2.92 1.01 -0.96 0.19 120.40 128.94 1mfn s VAL 70 Ca 0.40 -0.53 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 1mfn s VAL 70 Cb -0.17 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 1mfn s VAL 70 CO 0.12 0.46 -0.07 -0.94 0.00 0.00 0.00 175.10 174.67 1mfn s SER 71 N 1.04 4.16 -0.11 3.32 1.04 0.59 -0.46 113.70 123.28 1mfn s SER 71 Ca 0.00 -0.39 -0.03 0.00 0.48 0.00 0.00 55.95 56.01 1mfn s SER 71 Cb -0.15 -1.69 -0.03 0.00 0.10 0.00 0.00 66.02 64.25 1mfn s SER 71 CO -0.01 0.02 -0.00 -0.63 0.98 0.00 0.00 173.24 173.61 1mfn s ILE 72 N 1.20 4.24 0.20 -1.02 -1.09 0.40 0.13 121.20 125.26 1mfn s ILE 72 Ca 0.02 -0.26 0.10 0.00 -2.23 0.00 0.00 60.65 58.29 1mfn s ILE 72 Cb -0.14 -2.81 -0.04 0.00 -1.58 0.00 0.00 42.46 37.88 1mfn s ILE 72 CO -0.02 0.56 -0.20 -0.63 -1.23 0.00 0.00 174.94 173.42 1mfn s ILE 73 N -0.45 2.11 -0.22 2.92 1.09 0.14 0.24 121.20 127.04 1mfn s ILE 73 Ca 0.08 -2.09 0.01 0.00 -1.10 0.00 0.00 60.65 57.56 1mfn s ILE 73 Cb -0.12 -2.04 0.04 0.00 -1.06 0.00 0.00 42.46 39.27 1mfn s ILE 73 CO 0.02 -0.30 -0.15 0.00 -0.10 0.00 0.00 174.94 174.41 1mfn s ALA 74 N -2.12 2.47 0.32 9.38 0.00 -1.26 0.24 121.76 130.80 1mfn s ALA 74 Ca 0.21 -1.46 0.08 0.00 0.00 0.00 0.00 51.96 50.79 1mfn s ALA 74 Cb -0.06 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 1mfn s ALA 74 CO 0.09 -0.73 0.18 0.14 0.00 0.00 0.00 175.76 175.44 1mfn s VAL 75 N 1.22 3.39 -0.32 0.00 -7.23 -1.16 -1.16 120.40 115.14 1mfn s VAL 75 Ca -0.01 -1.58 0.18 0.00 -1.81 0.00 0.00 61.98 58.76 1mfn s VAL 75 Cb -0.16 -3.08 0.46 0.00 0.56 0.00 0.00 36.38 34.16 1mfn s VAL 75 CO -0.09 -0.22 0.96 -3.20 -0.31 0.00 0.00 175.10 172.24 1mfn n ASN 76 N -1.20 1.41 0.00 4.85 5.15 -1.25 -2.31 115.26 121.91 1mfn n ASN 76 Ca -0.03 -2.70 0.00 0.00 -0.60 0.00 0.00 54.58 51.24 1mfn n ASN 76 Cb 0.60 -0.51 0.00 0.00 -0.53 0.00 0.00 39.78 39.34 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 -0.07 2.15 0.00 8.20 0.00 -1.26 -3.47 105.19 110.74 1mfn n GLY 77 Ca 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.89 -0.43 1.61 -4.01 -1.26 -5.04 116.66 108.43 1mfn n ARG 78 Ca 0.00 -0.38 0.00 0.00 -1.04 0.00 0.00 57.85 56.43 1mfn n ARG 78 Cb 0.00 -0.88 0.00 0.00 -3.04 0.00 0.00 32.46 28.54 1mfn n ARG 78 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 1mfn n GLU 79 N -0.24 1.21 -3.64 2.89 -0.58 -1.23 -5.13 120.64 113.93 1mfn n GLU 79 Ca 0.00 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.61 1mfn n GLU 79 Cb 0.00 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 30.81 1mfn n GLU 79 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1mfn s GLU 80 N -0.89 0.96 0.44 3.49 2.02 -1.26 -3.94 118.70 119.52 1mfn s GLU 80 Ca 0.00 -0.35 0.04 0.00 0.02 0.00 0.00 54.97 54.68 1mfn s GLU 80 Cb 0.00 0.43 -0.01 0.00 0.10 0.00 0.00 34.13 34.65 1mfn s GLU 80 CO 0.00 -0.34 0.14 -1.54 0.02 0.00 0.00 175.26 173.54 1mfn s SER 81 N -2.04 3.04 0.32 -0.19 1.04 -0.31 -4.68 113.70 110.88 1mfn s SER 81 Ca -0.05 -1.74 -0.27 0.00 0.48 0.00 0.00 55.95 54.37 1mfn s SER 81 Cb -0.01 0.63 -0.09 0.00 0.10 0.00 0.00 66.02 66.65 1mfn s SER 81 CO -0.03 -1.00 1.04 -2.16 0.98 0.00 0.00 173.24 172.08 1mfn s PRO 82 N -3.67 4.48 0.08 4.02 0.04 -1.26 -4.60 135.00 134.09 1mfn s PRO 82 Ca 0.20 1.60 -0.30 0.00 0.04 0.00 0.00 61.00 62.54 1mfn s PRO 82 Cb 0.01 -2.91 -0.05 0.00 0.04 0.00 0.00 34.50 31.58 1mfn s PRO 82 CO 0.14 0.13 1.05 -1.25 0.04 0.00 0.00 177.00 177.10 1mfn s PRO 83 N -1.87 4.57 -0.45 0.56 0.04 -1.26 -4.14 135.00 132.45 1mfn s PRO 83 Ca 0.50 1.57 -0.08 0.00 0.04 0.00 0.00 61.00 63.02 1mfn s PRO 83 Cb -0.26 -3.38 0.11 0.00 0.04 0.00 0.00 34.50 31.02 1mfn s PRO 83 CO 0.33 -0.00 0.30 -1.17 0.04 0.00 0.00 177.00 176.50 1mfn s LEU 84 N 0.49 5.52 0.21 -3.56 2.96 0.68 -4.92 118.68 120.05 1mfn s LEU 84 Ca 0.52 -1.88 0.06 0.00 -0.22 0.00 0.00 54.13 52.61 1mfn s LEU 84 Cb -0.25 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 1mfn s LEU 84 CO 0.30 -0.64 0.17 -0.63 -1.32 0.00 0.00 176.35 174.23 1mfn s ILE 85 N 1.32 4.49 0.36 6.68 1.01 -1.26 0.15 121.20 133.95 1mfn s ILE 85 Ca 0.06 -1.23 -0.06 0.00 0.00 0.00 0.00 60.65 59.42 1mfn s ILE 85 Cb -0.25 -3.35 0.02 0.00 0.01 0.00 0.00 42.46 38.88 1mfn s ILE 85 CO -0.01 -0.22 0.57 -0.83 0.00 0.00 0.00 174.94 174.44 1mfn s GLY 86 N -3.46 1.21 -0.02 6.18 0.00 0.39 -4.94 107.32 106.68 1mfn s GLY 86 Ca 0.32 -1.32 0.03 0.00 0.00 0.00 0.00 44.72 43.75 1mfn s GLY 86 CO 0.24 -0.81 -0.10 1.20 0.00 0.00 0.00 173.10 173.63 1mfn s GLN 87 N -2.79 0.99 -0.29 2.90 -0.21 -1.26 -2.25 119.66 116.75 1mfn s GLN 87 Ca 0.26 -0.35 -0.15 0.00 0.02 0.00 0.00 55.36 55.14 1mfn s GLN 87 Cb -0.02 -0.93 0.12 0.00 1.00 0.00 0.00 33.01 33.18 1mfn s GLN 87 CO 0.18 0.16 0.80 -0.65 -2.12 0.00 0.00 175.29 173.66 1mfn s GLN 88 N 0.03 0.54 0.09 2.91 -1.52 -0.95 -4.98 119.66 115.79 1mfn s GLN 88 Ca -0.01 1.06 -0.09 0.00 -1.95 0.00 0.00 55.36 54.37 1mfn s GLN 88 Cb -0.07 0.30 -0.06 0.00 -0.22 0.00 0.00 33.01 32.96 1mfn s GLN 88 CO 0.00 -0.13 0.39 0.00 -0.25 0.00 0.00 175.29 175.30 1mfn s ALA 89 N 1.89 3.74 0.40 6.09 0.00 -1.26 -0.44 121.76 132.18 1mfn s ALA 89 Ca -0.08 -0.41 -0.24 0.00 0.00 0.00 0.00 51.96 51.22 1mfn s ALA 89 Cb -0.06 -2.24 -0.09 0.00 0.00 0.00 0.00 23.12 20.73 1mfn s ALA 89 CO -0.18 0.58 1.06 0.95 0.00 0.00 0.00 175.76 178.17 1mfn s THR 90 N -1.44 3.66 0.75 0.00 -4.23 0.70 -4.81 115.64 110.28 1mfn s THR 90 Ca 0.34 1.28 -0.11 0.00 -1.18 0.00 0.00 61.69 62.02 1mfn s THR 90 Cb -0.14 -3.66 0.05 0.00 1.34 0.00 0.00 72.50 70.09 1mfn s THR 90 CO 0.19 0.01 1.09 0.68 -0.54 0.00 0.00 174.62 176.05 1mfn s VAL 91 N -1.64 3.37 0.25 2.29 -7.23 -1.24 -1.77 120.40 114.42 1mfn s VAL 91 Ca 0.58 0.47 -0.30 0.00 -1.81 0.00 0.00 61.98 60.92 1mfn s VAL 91 Cb -0.23 -2.98 -0.09 0.00 0.56 0.00 0.00 36.38 33.64 1mfn s VAL 91 CO 0.28 -0.56 1.05 -0.44 -0.31 0.00 0.00 175.10 175.13 1mfn s SER 92 N -3.31 7.38 -0.23 4.85 0.01 -1.26 0.26 113.70 121.38 1mfn s SER 92 Ca 0.62 2.14 -0.12 0.00 1.31 0.00 0.00 55.95 59.90 1mfn s SER 92 Cb -0.17 -2.62 -0.10 0.00 0.21 0.00 0.00 66.02 63.34 1mfn s SER 92 CO 0.54 -0.07 -0.30 -0.67 0.41 0.00 0.00 173.24 173.14 1mfn n ASP 93 N 1.52 1.65 -4.87 2.44 2.03 -1.26 -3.57 116.55 114.49 1mfn n ASP 93 Ca -0.01 0.29 -0.37 0.00 0.52 0.00 0.00 54.79 55.22 1mfn n ASP 93 Cb 0.46 -0.69 -0.06 0.00 -0.72 0.00 0.00 41.12 40.11 1mfn n ASP 93 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1mfn s ILE 94 N -2.43 5.39 -1.33 5.18 1.01 -1.26 -4.53 121.20 123.23 1mfn s ILE 94 Ca -0.33 0.33 -0.17 0.00 0.00 0.00 0.00 60.65 60.49 1mfn s ILE 94 Cb 0.13 -3.48 0.07 0.00 0.01 0.00 0.00 42.46 39.19 1mfn s ILE 94 CO 0.41 0.59 1.83 -0.81 0.00 0.00 0.00 174.94 176.96 1mfn n PRO 95 N 1.86 3.15 -0.74 2.79 -0.04 -1.26 -4.78 135.00 135.98 1mfn n PRO 95 Ca -0.18 -3.18 -0.26 0.00 -0.04 0.00 0.00 63.50 59.84 1mfn n PRO 95 Cb 0.54 -3.40 0.10 0.00 -0.04 0.00 0.00 33.50 30.70 1mfn n PRO 95 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1mfn n ARG 96 N 7.54 -1.07 -0.88 0.54 1.85 -1.26 -3.57 116.66 119.81 1mfn n ARG 96 Ca 0.48 -0.31 0.00 0.00 -1.00 0.00 0.00 57.85 57.02 1mfn n ARG 96 Cb 0.44 -1.32 0.00 0.00 -1.05 0.00 0.00 32.46 30.53 1mfn n ARG 96 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1mfn n ASP 97 N 0.72 -2.64 -4.55 2.89 -0.08 -1.26 -1.30 116.55 110.32 1mfn n ASP 97 Ca 0.01 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 52.90 1mfn n ASP 97 Cb 0.50 -0.44 -0.03 0.00 2.34 0.00 0.00 41.12 43.49 1mfn n ASP 97 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1mfn s LEU 98 N 0.00 3.29 0.34 -2.67 2.96 -1.20 -3.79 118.68 117.61 1mfn s LEU 98 Ca 0.00 0.34 -0.10 0.00 -0.22 0.00 0.00 54.13 54.15 1mfn s LEU 98 Cb 0.00 -2.58 0.02 0.00 0.50 0.00 0.00 46.19 44.13 1mfn s LEU 98 CO 0.00 -2.32 0.60 -1.83 -1.32 0.00 0.00 176.35 171.47 1mfn s GLU 99 N 6.91 1.96 0.44 1.98 -1.05 -0.97 -4.94 118.70 123.03 1mfn s GLU 99 Ca 0.66 -1.53 0.08 0.00 -0.15 0.00 0.00 54.97 54.02 1mfn s GLU 99 Cb -0.13 0.52 -0.00 0.00 -0.44 0.00 0.00 34.13 34.08 1mfn s GLU 99 CO 0.21 -0.86 0.45 0.54 0.95 0.00 0.00 175.26 176.55 1mfn s VAL 100 N -2.99 2.61 0.00 1.83 0.11 -1.26 -1.16 120.40 119.54 1mfn s VAL 100 Ca 0.23 -1.26 0.00 0.00 -2.93 0.00 0.00 61.98 58.02 1mfn s VAL 100 Cb -0.02 -2.88 0.00 0.00 -1.53 0.00 0.00 36.38 31.95 1mfn s VAL 100 CO 0.15 0.00 0.00 2.30 -3.33 0.00 0.00 175.10 174.22 1mfn n ILE 101 N -1.67 0.00 -4.05 7.04 -5.35 0.06 -4.93 119.36 110.46 1mfn n ILE 101 Ca 0.05 0.00 -0.32 0.00 -0.27 0.00 0.00 62.75 62.21 1mfn n ILE 101 Cb 0.61 -0.25 -0.16 0.00 -1.74 0.00 0.00 39.64 38.11 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 -1.40 2.26 -0.57 -1.28 0.00 -1.26 -4.98 121.76 114.53 1mfn s ALA 102 Ca 0.00 -1.39 -0.16 0.00 0.00 0.00 0.00 51.96 50.41 1mfn s ALA 102 Cb 0.00 -1.36 0.14 0.00 0.00 0.00 0.00 23.12 21.90 1mfn s ALA 102 CO 0.00 -0.84 0.53 0.45 0.00 0.00 0.00 175.76 175.90 1mfn s SER 103 N 1.28 6.24 0.46 0.00 0.15 -1.26 -2.18 113.70 118.38 1mfn s SER 103 Ca -0.02 -1.86 -0.03 0.00 0.70 0.00 0.00 55.95 54.73 1mfn s SER 103 Cb -0.17 -2.21 -0.03 0.00 -1.71 0.00 0.00 66.02 61.90 1mfn s SER 103 CO -0.08 -0.84 0.73 0.42 1.20 0.00 0.00 173.24 174.67 1mfn s THR 104 N 1.49 4.78 -1.92 6.45 -4.23 0.13 -4.94 115.64 117.41 1mfn s THR 104 Ca 0.04 -0.03 0.15 0.00 -1.18 0.00 0.00 61.69 60.67 1mfn s THR 104 Cb -0.28 -3.80 0.41 0.00 1.34 0.00 0.00 72.50 70.17 1mfn s THR 104 CO 0.02 -0.71 1.34 -0.81 -0.54 0.00 0.00 174.62 173.92 1mfn n PRO 105 N -2.16 0.44 -0.07 3.99 -0.04 -1.26 -2.72 135.00 133.18 1mfn n PRO 105 Ca -0.00 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1mfn n PRO 105 Cb 0.56 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.04 0.00 -3.62 0.52 -2.24 -1.26 -4.02 114.28 102.61 1mfn n THR 106 Ca 0.11 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.86 1mfn n THR 106 Cb 0.06 0.63 -0.01 0.00 -2.10 0.00 0.00 70.33 68.91 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 -0.10 -0.15 -0.00 3.42 1.04 -1.10 -2.43 113.70 114.37 1mfn s SER 107 Ca 0.00 -0.13 -0.09 0.00 0.48 0.00 0.00 55.95 56.21 1mfn s SER 107 Cb 0.00 0.25 0.01 0.00 0.10 0.00 0.00 66.02 66.38 1mfn s SER 107 CO 0.00 -0.44 0.18 -0.76 0.98 0.00 0.00 173.24 173.20 1mfn s LEU 108 N -2.66 1.37 -0.29 2.42 1.43 -0.81 0.22 118.68 120.37 1mfn s LEU 108 Ca 0.11 -0.11 -0.08 0.00 -1.03 0.00 0.00 54.13 53.02 1mfn s LEU 108 Cb 0.01 0.82 -0.01 0.00 0.03 0.00 0.00 46.19 47.04 1mfn s LEU 108 CO -0.04 -0.38 0.10 -0.76 0.23 0.00 0.00 176.35 175.50 1mfn s LEU 109 N -1.32 3.80 0.00 1.79 1.43 -0.93 -0.05 118.68 123.40 1mfn s LEU 109 Ca -0.14 -0.52 0.09 0.00 -1.03 0.00 0.00 54.13 52.54 1mfn s LEU 109 Cb -0.07 -1.93 0.09 0.00 0.03 0.00 0.00 46.19 44.32 1mfn s LEU 109 CO 0.02 -0.15 0.76 2.30 0.23 0.00 0.00 176.35 179.51 1mfn n ILE 110 N 4.92 0.00 -3.57 -0.59 -5.35 -0.14 -0.76 119.36 113.87 1mfn n ILE 110 Ca -0.15 -1.83 -0.11 0.00 -0.27 0.00 0.00 62.75 60.40 1mfn n ILE 110 Cb 0.49 -0.54 -0.05 0.00 -1.74 0.00 0.00 39.64 37.80 1mfn n ILE 110 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1mfn s SER 111 N -4.40 -0.38 0.26 7.28 0.01 -0.31 -2.51 113.70 113.65 1mfn s SER 111 Ca 0.57 0.38 -0.06 0.00 1.31 0.00 0.00 55.95 58.16 1mfn s SER 111 Cb -0.05 0.32 0.02 0.00 0.21 0.00 0.00 66.02 66.52 1mfn s SER 111 CO 0.36 -0.37 0.44 -2.67 0.41 0.00 0.00 173.24 171.41 1mfn n TRP 112 N 0.65 -1.53 -4.39 2.43 2.14 -0.17 -2.29 117.44 114.28 1mfn n TRP 112 Ca -0.10 -1.48 -0.29 0.00 2.07 0.00 0.00 57.50 57.70 1mfn n TRP 112 Cb 0.58 0.51 -0.13 0.00 -0.81 0.00 0.00 31.31 31.46 1mfn n TRP 112 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 1mfn s GLU 113 N -2.33 1.40 0.07 -2.67 0.41 -0.42 -4.74 118.70 110.42 1mfn s GLU 113 Ca 0.16 -1.36 -0.30 0.00 -0.41 0.00 0.00 54.97 53.06 1mfn s GLU 113 Cb -0.02 -1.87 -0.05 0.00 -1.78 0.00 0.00 34.13 30.41 1mfn s GLU 113 CO 0.12 0.44 1.01 -1.25 -0.49 0.00 0.00 175.26 175.09 1mfn s PRO 114 N -2.11 4.61 0.00 0.39 0.04 -1.26 -4.11 135.00 132.56 1mfn s PRO 114 Ca 0.14 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1mfn s PRO 114 Cb -0.10 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 31.05 1mfn s PRO 114 CO 0.06 0.05 0.00 -0.35 0.04 0.00 0.00 177.00 176.80 1mfn n PRO 115 N 3.25 0.22 0.03 0.56 -0.04 -1.26 -4.97 135.00 132.79 1mfn n PRO 115 Ca 0.04 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.63 1mfn n PRO 115 Cb 0.49 0.00 0.27 0.00 -0.04 0.00 0.00 33.50 34.22 1mfn n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mfn n ALA 116 N -3.00 3.11 -2.27 0.55 0.00 -1.23 -4.86 120.51 112.81 1mfn n ALA 116 Ca 0.00 -0.27 -0.26 0.00 0.00 0.00 0.00 53.44 52.91 1mfn n ALA 116 Cb 0.00 -1.19 0.01 0.00 0.00 0.00 0.00 19.45 18.26 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 -3.07 4.48 -0.12 0.00 -7.23 -1.25 -4.85 120.40 108.36 1mfn s VAL 117 Ca 0.09 -0.01 -0.30 0.00 -1.81 0.00 0.00 61.98 59.96 1mfn s VAL 117 Cb 0.16 -3.71 -0.02 0.00 0.56 0.00 0.00 36.38 33.37 1mfn s VAL 117 CO 0.68 -0.65 1.18 -0.44 -0.31 0.00 0.00 175.10 175.56 1mfn s SER 118 N -4.17 7.04 -0.34 4.85 0.01 -1.26 -5.00 113.70 114.84 1mfn s SER 118 Ca 0.48 1.69 -0.12 0.00 1.31 0.00 0.00 55.95 59.31 1mfn s SER 118 Cb -0.10 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.57 1mfn s SER 118 CO 0.43 -0.64 0.23 -0.69 0.41 0.00 0.00 173.24 172.98 1mfn s VAL 119 N 2.73 5.15 -0.08 3.43 1.01 -1.26 -4.29 120.40 127.09 1mfn s VAL 119 Ca 0.53 -0.30 -0.25 0.00 0.00 0.00 0.00 61.98 61.97 1mfn s VAL 119 Cb -0.22 -3.66 -0.21 0.00 0.00 0.00 0.00 36.38 32.29 1mfn s VAL 119 CO 0.17 -0.02 0.93 -0.09 0.00 0.00 0.00 175.10 176.09 1mfn h ARG 120 N 8.47 -0.05 -2.31 2.72 1.12 0.17 -3.45 114.38 121.06 1mfn h ARG 120 Ca -0.31 0.00 0.07 0.00 -1.11 0.00 0.00 59.98 58.63 1mfn h ARG 120 Cb 1.15 0.01 -0.16 0.00 -0.01 0.00 0.00 29.97 30.96 1mfn h ARG 120 CO 0.64 0.60 0.42 1.52 -3.11 0.00 0.00 179.97 180.04 1mfn s TYR 121 N -3.16 -0.41 -0.21 2.20 -0.85 -1.02 -3.88 117.35 110.02 1mfn s TYR 121 Ca -0.16 0.35 -0.06 0.00 -0.52 0.00 0.00 57.07 56.69 1mfn s TYR 121 Cb -0.01 0.52 -0.03 0.00 0.38 0.00 0.00 41.96 42.83 1mfn s TYR 121 CO 0.60 -0.58 0.02 0.71 -1.52 0.00 0.00 175.55 174.78 1mfn s TYR 122 N -2.86 3.07 -0.54 -3.49 1.51 -0.92 -0.81 117.35 113.29 1mfn s TYR 122 Ca 0.02 -0.43 -0.24 0.00 -1.01 0.00 0.00 57.07 55.41 1mfn s TYR 122 Cb -0.01 -2.13 0.04 0.00 -0.11 0.00 0.00 41.96 39.75 1mfn s TYR 122 CO -0.07 -0.26 0.94 0.50 -1.11 0.00 0.00 175.55 175.55 1mfn s ARG 123 N 1.16 3.35 0.08 -0.62 3.52 -0.37 0.23 118.95 126.30 1mfn s ARG 123 Ca 0.03 -0.22 -0.01 0.00 -0.13 0.00 0.00 55.73 55.40 1mfn s ARG 123 Cb -0.14 -4.04 -0.04 0.00 -1.56 0.00 0.00 34.95 29.16 1mfn s ARG 123 CO 0.02 -1.47 0.24 0.42 -0.81 0.00 0.00 175.30 173.71 1mfn s ILE 124 N 3.95 5.34 -0.04 4.11 1.01 0.91 0.12 121.20 136.61 1mfn s ILE 124 Ca 0.31 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.67 1mfn s ILE 124 Cb -0.12 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 38.73 1mfn s ILE 124 CO 0.20 0.11 -0.07 0.42 0.00 0.00 0.00 174.94 175.61 1mfn s THR 125 N -1.54 0.64 0.15 2.92 -4.23 0.14 0.19 115.64 113.91 1mfn s THR 125 Ca 0.36 -0.23 -0.30 0.00 -1.18 0.00 0.00 61.69 60.34 1mfn s THR 125 Cb -0.13 -0.61 -0.07 0.00 1.34 0.00 0.00 72.50 73.03 1mfn s THR 125 CO 0.27 0.23 1.14 -0.31 -0.54 0.00 0.00 174.62 175.41 1mfn s TYR 126 N 0.56 3.53 -0.41 3.99 1.51 0.37 -2.54 117.35 124.35 1mfn s TYR 126 Ca -0.08 1.50 -0.10 0.00 -1.01 0.00 0.00 57.07 57.38 1mfn s TYR 126 Cb -0.12 -3.33 0.06 0.00 -0.11 0.00 0.00 41.96 38.46 1mfn s TYR 126 CO 0.01 -0.85 0.25 0.20 -1.11 0.00 0.00 175.55 174.04 1mfn s GLY 127 N 0.23 1.96 -0.08 0.71 0.00 0.43 -2.37 107.32 108.21 1mfn s GLY 127 Ca 0.52 -2.00 -0.02 0.00 0.00 0.00 0.00 44.72 43.22 1mfn s GLY 127 CO 0.34 0.93 0.02 -0.54 0.00 0.00 0.00 173.10 173.85 1mfn s GLU 128 N 1.49 3.03 0.00 2.90 2.02 -1.26 0.61 118.70 127.48 1mfn s GLU 128 Ca 0.03 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 54.62 1mfn s GLU 128 Cb -0.22 -2.83 0.00 0.00 0.10 0.00 0.00 34.13 31.18 1mfn s GLU 128 CO 0.04 0.70 0.23 0.25 0.02 0.00 0.00 175.26 176.50 1mfn n THR 129 N 2.00 0.00 -3.25 3.63 -2.24 -1.00 -4.72 114.28 108.71 1mfn n THR 129 Ca -0.18 0.53 -0.25 0.00 -2.27 0.00 0.00 64.05 61.88 1mfn n THR 129 Cb 0.54 -1.14 -0.07 0.00 -2.10 0.00 0.00 70.33 67.56 1mfn n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mfn n GLY 130 N 0.81 3.48 2.00 3.38 0.00 -1.26 -4.90 105.19 108.69 1mfn n GLY 130 Ca 0.00 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.00 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 1.20 3.88 3.02 -0.02 0.00 -1.26 -4.89 105.19 107.12 1mfn n GLY 131 Ca 0.24 -1.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.01 1mfn n GLY 131 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mfn n ASN 132 N -0.38 -5.18 -3.60 1.61 5.15 -1.26 -4.94 115.26 106.66 1mfn n ASN 132 Ca 0.44 -0.25 -0.14 0.00 -0.60 0.00 0.00 54.58 54.03 1mfn n ASN 132 Cb 1.43 -4.23 -0.06 0.00 -0.53 0.00 0.00 39.78 36.39 1mfn n ASN 132 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1mfn s SER 133 N -2.59 -0.42 0.92 1.20 0.15 -1.26 -5.17 113.70 106.53 1mfn s SER 133 Ca 0.28 0.20 -0.14 0.00 0.70 0.00 0.00 55.95 56.99 1mfn s SER 133 Cb -0.13 0.47 0.15 0.00 -1.71 0.00 0.00 66.02 64.80 1mfn s SER 133 CO 0.35 -0.67 1.22 -2.16 1.20 0.00 0.00 173.24 173.17 1mfn s PRO 134 N -2.21 1.06 0.82 5.44 0.04 -1.26 -4.90 135.00 133.99 1mfn s PRO 134 Ca -0.07 -0.06 -0.12 0.00 0.04 0.00 0.00 61.00 60.79 1mfn s PRO 134 Cb -0.01 -1.86 0.09 0.00 0.04 0.00 0.00 34.50 32.76 1mfn s PRO 134 CO 0.00 -2.19 1.16 0.14 0.04 0.00 0.00 177.00 176.16 1mfn s VAL 135 N -3.59 2.32 -0.42 -0.36 -7.23 -1.26 -4.86 120.40 105.01 1mfn s VAL 135 Ca 0.68 0.13 -0.08 0.00 -1.81 0.00 0.00 61.98 60.89 1mfn s VAL 135 Cb -0.09 -2.42 0.08 0.00 0.56 0.00 0.00 36.38 34.51 1mfn s VAL 135 CO 0.52 -0.12 0.25 -1.58 -0.31 0.00 0.00 175.10 173.86 1mfn s GLN 136 N -4.39 2.53 -0.42 4.82 0.74 -1.00 -4.81 119.66 117.13 1mfn s GLN 136 Ca 0.69 -1.51 -0.25 0.00 0.05 0.00 0.00 55.36 54.35 1mfn s GLN 136 Cb -0.25 -3.74 0.02 0.00 1.10 0.00 0.00 33.01 30.15 1mfn s GLN 136 CO 0.53 -0.96 0.88 -2.00 -0.55 0.00 0.00 175.29 173.18 1mfn s GLU 137 N 1.38 3.62 -0.07 1.67 2.12 -1.26 0.14 118.70 126.30 1mfn s GLU 137 Ca 0.03 0.24 0.04 0.00 0.36 0.00 0.00 54.97 55.64 1mfn s GLU 137 Cb -0.23 -3.88 -0.00 0.00 0.26 0.00 0.00 34.13 30.28 1mfn s GLU 137 CO 0.01 -1.08 -0.21 -0.59 -0.54 0.00 0.00 175.26 172.85 1mfn s PHE 138 N 3.50 2.21 1.02 5.30 -0.12 0.50 -4.94 117.98 125.46 1mfn s PHE 138 Ca 0.35 -0.80 -0.15 0.00 -0.05 0.00 0.00 56.93 56.28 1mfn s PHE 138 Cb -0.11 -1.49 0.20 0.00 -0.63 0.00 0.00 43.02 40.99 1mfn s PHE 138 CO 0.22 -0.31 1.17 0.95 -0.05 0.00 0.00 175.22 177.21 1mfn s THR 139 N 0.22 1.87 -0.01 -4.49 -4.23 -1.26 -0.06 115.64 107.68 1mfn s THR 139 Ca -0.12 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.40 1mfn s THR 139 Cb -0.16 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 70.97 1mfn s THR 139 CO 0.06 0.00 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.41 1mfn s VAL 140 N -3.33 0.29 0.09 2.29 1.01 0.14 -4.69 120.40 116.21 1mfn s VAL 140 Ca 0.69 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 62.24 1mfn s VAL 140 Cb -0.11 -0.27 -0.06 0.00 0.00 0.00 0.00 36.38 35.94 1mfn s VAL 140 CO 0.54 0.10 1.08 -2.16 0.00 0.00 0.00 175.10 174.66 1mfn s PRO 141 N 0.11 4.56 0.00 2.72 0.04 -1.26 -2.17 135.00 139.00 1mfn s PRO 141 Ca -0.01 1.62 0.22 0.00 0.04 0.00 0.00 61.00 62.87 1mfn s PRO 141 Cb -0.04 -3.35 1.32 0.00 0.04 0.00 0.00 34.50 32.47 1mfn s PRO 141 CO -0.00 -0.02 1.70 0.41 0.04 0.00 0.00 177.00 179.13 1mfn n GLY 142 N 2.59 -0.72 0.00 0.56 0.00 -1.25 -3.08 105.19 103.29 1mfn n GLY 142 Ca 0.05 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.01 1mfn n GLY 142 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1mfn n SER 143 N -0.98 0.00 -3.61 1.61 2.88 -1.26 -4.75 113.62 107.52 1mfn n SER 143 Ca 0.17 -0.06 -0.12 0.00 -1.33 0.00 0.00 58.87 57.53 1mfn n SER 143 Cb 0.08 -0.23 -0.05 0.00 -0.75 0.00 0.00 64.21 63.26 1mfn n SER 143 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1mfn s LYS 144 N -2.46 1.05 0.00 -1.46 0.00 -1.18 -5.03 119.74 110.65 1mfn s LYS 144 Ca 0.18 -0.51 0.24 0.00 0.00 0.00 0.00 55.97 55.88 1mfn s LYS 144 Cb 0.11 0.47 0.54 0.00 0.00 0.00 0.00 37.83 38.95 1mfn s LYS 144 CO 0.24 -0.40 1.46 0.45 0.00 0.00 0.00 175.35 177.10 1mfn n SER 145 N 0.06 2.54 -4.78 0.03 2.88 -1.26 -4.87 113.62 108.21 1mfn n SER 145 Ca -0.17 -1.83 -0.22 0.00 -1.33 0.00 0.00 58.87 55.31 1mfn n SER 145 Cb 0.62 -0.08 -0.05 0.00 -0.75 0.00 0.00 64.21 63.95 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 -1.84 3.75 -0.09 2.46 -4.23 -1.26 -1.00 115.64 113.43 1mfn s THR 146 Ca 0.34 -1.54 -0.06 0.00 -1.18 0.00 0.00 61.69 59.25 1mfn s THR 146 Cb 0.20 -3.16 0.03 0.00 1.34 0.00 0.00 72.50 70.92 1mfn s THR 146 CO 0.31 -0.28 0.22 0.00 -0.54 0.00 0.00 174.62 174.33 1mfn s ALA 147 N -2.27 -0.51 0.42 3.99 0.00 -1.04 -4.92 121.76 117.43 1mfn s ALA 147 Ca 0.36 0.79 -0.14 0.00 0.00 0.00 0.00 51.96 52.96 1mfn s ALA 147 Cb -0.06 -0.49 -0.08 0.00 0.00 0.00 0.00 23.12 22.50 1mfn s ALA 147 CO 0.24 -0.15 0.84 -0.08 0.00 0.00 0.00 175.76 176.61 1mfn s THR 148 N 0.74 4.67 -0.45 0.00 -1.32 -1.26 -0.97 115.64 117.05 1mfn s THR 148 Ca -0.05 0.91 0.08 0.00 -1.21 0.00 0.00 61.69 61.42 1mfn s THR 148 Cb -0.07 -3.70 0.29 0.00 -1.51 0.00 0.00 72.50 67.51 1mfn s THR 148 CO -0.04 -0.49 0.67 -0.38 -2.21 0.00 0.00 174.62 172.16 1mfn n ILE 149 N -1.16 0.45 -1.89 5.08 2.08 0.92 -4.90 119.36 119.94 1mfn n ILE 149 Ca 0.04 -4.57 -0.17 0.00 0.56 0.00 0.00 62.75 58.61 1mfn n ILE 149 Cb 0.54 -1.48 0.11 0.00 -0.75 0.00 0.00 39.64 38.06 1mfn n ILE 149 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1mfn n ASN 150 N 0.82 0.34 -0.99 4.38 4.13 -1.26 -1.92 115.26 120.75 1mfn n ASN 150 Ca 0.25 -1.45 -0.12 0.00 1.68 0.00 0.00 54.58 54.94 1mfn n ASN 150 Cb 0.53 -0.57 -0.05 0.00 -1.54 0.00 0.00 39.78 38.15 1mfn n ASN 150 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1mfn n ASN 151 N -3.34 -4.37 -4.88 6.41 5.03 -1.12 -4.90 115.26 108.08 1mfn n ASN 151 Ca 0.11 0.26 -0.30 0.00 0.87 0.00 0.00 54.58 55.51 1mfn n ASN 151 Cb 0.37 -3.03 -0.03 0.00 -1.02 0.00 0.00 39.78 36.07 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 -2.47 4.78 -0.23 2.41 2.07 -1.02 -5.05 121.20 121.69 1mfn s ILE 152 Ca 0.00 0.62 -0.08 0.00 -1.41 0.00 0.00 60.65 59.78 1mfn s ILE 152 Cb 0.00 -3.74 -0.04 0.00 0.13 0.00 0.00 42.46 38.81 1mfn s ILE 152 CO 0.00 -0.55 0.09 -0.75 -1.91 0.00 0.00 174.94 171.82 1mfn s LYS 153 N -3.92 3.84 0.44 3.50 2.47 -1.26 -4.68 119.74 120.13 1mfn s LYS 153 Ca 0.51 -0.39 -0.21 0.00 -1.56 0.00 0.00 55.97 54.32 1mfn s LYS 153 Cb -0.10 -3.35 -0.10 0.00 -1.46 0.00 0.00 37.83 32.81 1mfn s LYS 153 CO 0.32 -0.01 0.98 -1.25 0.16 0.00 0.00 175.35 175.55 1mfn s PRO 154 N 1.17 4.12 -0.07 4.03 0.04 -1.26 -4.46 135.00 138.58 1mfn s PRO 154 Ca 0.05 1.21 -0.00 0.00 0.04 0.00 0.00 61.00 62.30 1mfn s PRO 154 Cb -0.14 -2.19 -0.00 0.00 0.04 0.00 0.00 34.50 32.20 1mfn s PRO 154 CO 0.04 -0.13 0.06 0.41 0.04 0.00 0.00 177.00 177.42 1mfn n GLY 155 N -0.45 0.06 0.00 0.56 0.00 -0.48 -5.01 105.19 99.88 1mfn n GLY 155 Ca 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.28 0.00 -0.73 4.61 0.00 -1.10 -5.00 120.51 117.01 1mfn n ALA 156 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1mfn n ALA 156 Cb 0.50 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.10 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 -2.26 -3.08 0.00 2.03 -1.26 -2.46 116.55 109.51 1mfn n ASP 157 Ca 0.00 0.10 -0.17 0.00 0.52 0.00 0.00 54.79 55.24 1mfn n ASP 157 Cb 0.00 -1.08 -0.06 0.00 -0.72 0.00 0.00 41.12 39.26 1mfn n ASP 157 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1mfn n TYR 158 N -4.01 -0.97 -3.30 -0.67 4.02 0.50 -2.37 117.16 110.36 1mfn n TYR 158 Ca 0.04 -2.57 -0.07 0.00 -0.01 0.00 0.00 57.90 55.29 1mfn n TYR 158 Cb 0.58 0.36 -0.06 0.00 -0.02 0.00 0.00 39.34 40.20 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 -3.15 -0.68 -0.32 -0.72 2.01 0.20 -2.19 115.64 110.78 1mfn s THR 159 Ca 0.35 -0.12 -0.14 0.00 0.31 0.00 0.00 61.69 62.09 1mfn s THR 159 Cb 0.01 -0.90 -0.02 0.00 0.01 0.00 0.00 72.50 71.60 1mfn s THR 159 CO 0.25 -0.15 0.32 -0.63 -0.69 0.00 0.00 174.62 173.73 1mfn s ILE 160 N 2.60 5.21 0.14 1.82 1.01 0.63 0.16 121.20 132.78 1mfn s ILE 160 Ca 0.13 0.12 0.08 0.00 0.00 0.00 0.00 60.65 60.98 1mfn s ILE 160 Cb -0.14 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 1mfn s ILE 160 CO -0.21 0.01 -0.19 -0.89 0.00 0.00 0.00 174.94 173.66 1mfn s THR 161 N 1.95 1.79 -0.07 2.92 2.01 -1.05 -0.04 115.64 123.14 1mfn s THR 161 Ca 0.11 -1.80 -0.14 0.00 0.31 0.00 0.00 61.69 60.17 1mfn s THR 161 Cb -0.16 -1.75 0.03 0.00 0.01 0.00 0.00 72.50 70.62 1mfn s THR 161 CO 0.11 -0.23 0.34 -1.48 -0.69 0.00 0.00 174.62 172.67 1mfn s LEU 162 N -2.42 0.73 0.51 4.42 0.05 -0.74 0.28 118.68 121.51 1mfn s LEU 162 Ca 0.13 0.38 0.04 0.00 0.05 0.00 0.00 54.13 54.72 1mfn s LEU 162 Cb -0.07 1.28 0.01 0.00 -2.05 0.00 0.00 46.19 45.35 1mfn s LEU 162 CO 0.06 -0.31 0.23 -0.31 -0.55 0.00 0.00 176.35 175.46 1mfn s TYR 163 N -0.66 1.84 -0.17 3.48 1.51 0.32 -1.88 117.35 121.79 1mfn s TYR 163 Ca -0.08 -0.85 -0.05 0.00 -1.01 0.00 0.00 57.07 55.08 1mfn s TYR 163 Cb -0.04 -1.81 0.06 0.00 -0.11 0.00 0.00 41.96 40.07 1mfn s TYR 163 CO 0.03 -0.13 0.10 0.00 -1.11 0.00 0.00 175.55 174.44 1mfn s ALA 164 N -2.79 0.35 0.11 3.71 0.00 -1.26 -1.23 121.76 120.64 1mfn s ALA 164 Ca 0.24 -0.24 0.02 0.00 0.00 0.00 0.00 51.96 51.98 1mfn s ALA 164 Cb -0.00 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 1mfn s ALA 164 CO 0.15 -1.17 0.21 0.08 0.00 0.00 0.00 175.76 175.03 1mfn s VAL 165 N 2.16 5.14 0.00 0.00 1.01 0.01 -2.53 120.40 126.18 1mfn s VAL 165 Ca 0.03 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1mfn s VAL 165 Cb -0.16 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1mfn s VAL 165 CO -0.09 0.03 0.00 0.35 0.00 0.00 0.00 175.10 175.39 1mfn n THR 166 N -0.05 0.00 -0.74 3.92 -2.24 -0.93 0.18 114.28 114.41 1mfn n THR 166 Ca -0.07 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.43 1mfn n THR 166 Cb 0.53 -0.87 0.24 0.00 -2.10 0.00 0.00 70.33 68.13 1mfn n THR 166 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1mfn s GLY 167 N -3.14 1.53 -0.30 3.38 0.00 -1.21 -4.21 107.32 103.36 1mfn s GLY 167 Ca 0.00 -0.43 0.08 0.00 0.00 0.00 0.00 44.72 44.37 1mfn s GLY 167 CO 0.00 0.34 1.27 0.54 0.00 0.00 0.00 173.10 175.25 1mfn n ARG 168 N -4.86 0.96 0.00 2.90 5.12 -1.26 -4.39 116.66 115.14 1mfn n ARG 168 Ca 0.06 -1.14 0.00 0.00 -1.93 0.00 0.00 57.85 54.84 1mfn n ARG 168 Cb 0.57 0.17 0.00 0.00 -1.16 0.00 0.00 32.46 32.04 1mfn n ARG 168 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1mfn n GLY 169 N -0.91 1.86 0.42 -0.13 0.00 -1.26 -4.94 105.19 100.22 1mfn n GLY 169 Ca -0.12 -0.15 0.06 0.00 0.00 0.00 0.00 46.02 45.81 1mfn n GLY 169 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mfn n ASP 170 N 0.00 1.77 0.00 1.61 5.75 -1.26 -4.90 116.55 119.52 1mfn n ASP 170 Ca 0.00 -1.38 0.00 0.00 -0.01 0.00 0.00 54.79 53.40 1mfn n ASP 170 Cb 0.00 0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 1mfn n ASP 170 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1mfn n SER 171 N 0.29 0.00 -4.57 -1.12 7.64 -1.26 -5.08 113.62 109.52 1mfn n SER 171 Ca 0.07 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.56 1mfn n SER 171 Cb 0.30 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.47 1mfn n SER 171 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1mfn s PRO 172 N 0.00 3.48 0.57 1.43 0.04 -1.26 -3.36 135.00 135.90 1mfn s PRO 172 Ca 0.00 -1.25 0.05 0.00 0.04 0.00 0.00 61.00 59.84 1mfn s PRO 172 Cb 0.00 -5.36 0.07 0.00 0.04 0.00 0.00 34.50 29.25 1mfn s PRO 172 CO 0.00 -2.51 0.78 0.00 0.04 0.00 0.00 177.00 175.31 1mfn s ALA 173 N 5.90 4.30 -0.28 8.56 0.00 -1.26 -4.86 121.76 134.11 1mfn s ALA 173 Ca 0.53 -1.80 -0.18 0.00 0.00 0.00 0.00 51.96 50.52 1mfn s ALA 173 Cb 0.00 -1.73 0.11 0.00 0.00 0.00 0.00 23.12 21.50 1mfn s ALA 173 CO -0.02 -0.84 0.84 -1.54 0.00 0.00 0.00 175.76 174.20 1mfn s SER 174 N -4.56 -0.71 0.45 0.00 1.04 -1.26 -2.19 113.70 106.46 1mfn s SER 174 Ca 0.60 1.18 0.00 0.00 0.48 0.00 0.00 55.95 58.21 1mfn s SER 174 Cb -0.07 1.28 0.00 0.00 0.10 0.00 0.00 66.02 67.32 1mfn s SER 174 CO 0.39 -0.19 0.00 -1.54 0.98 0.00 0.00 173.24 172.88 1mfn n SER 175 N 3.73 -0.71 -4.80 7.02 3.41 -1.05 -4.93 113.62 116.29 1mfn n SER 175 Ca -0.18 -0.09 -0.36 0.00 -0.26 0.00 0.00 58.87 57.97 1mfn n SER 175 Cb 0.58 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.46 1mfn n SER 175 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1mfn s LYS 176 N -1.34 4.43 -0.03 4.33 1.02 -1.26 -4.66 119.74 122.23 1mfn s LYS 176 Ca 0.00 1.13 -0.30 0.00 0.02 0.00 0.00 55.97 56.82 1mfn s LYS 176 Cb 0.00 -2.79 -0.03 0.00 -0.52 0.00 0.00 37.83 34.49 1mfn s LYS 176 CO 0.00 0.30 1.05 -1.25 -0.92 0.00 0.00 175.35 174.53 1mfn s PRO 177 N -2.10 4.47 -0.23 -1.68 0.04 -1.26 -4.75 135.00 129.48 1mfn s PRO 177 Ca 0.48 1.50 -0.14 0.00 0.04 0.00 0.00 61.00 62.88 1mfn s PRO 177 Cb -0.17 -3.48 -0.04 0.00 0.04 0.00 0.00 34.50 30.84 1mfn s PRO 177 CO 0.22 -0.21 0.32 0.08 0.04 0.00 0.00 177.00 177.44 1mfn s VAL 178 N 1.48 5.24 0.03 -0.36 1.01 -0.79 -4.88 120.40 122.14 1mfn s VAL 178 Ca 0.52 0.50 0.08 0.00 0.00 0.00 0.00 61.98 63.09 1mfn s VAL 178 Cb -0.22 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 1mfn s VAL 178 CO 0.24 0.25 -0.23 -0.44 0.00 0.00 0.00 175.10 174.92 1mfn s SER 179 N 1.24 3.39 0.05 3.32 0.01 -1.26 -1.79 113.70 118.66 1mfn s SER 179 Ca 0.14 -0.50 0.02 0.00 1.31 0.00 0.00 55.95 56.92 1mfn s SER 179 Cb -0.15 -0.42 -0.03 0.00 0.21 0.00 0.00 66.02 65.63 1mfn s SER 179 CO 0.08 0.27 -0.07 0.27 0.41 0.00 0.00 173.24 174.20 1mfn s ILE 180 N -0.81 0.55 0.58 1.44 -4.36 0.94 -4.97 121.20 114.57 1mfn s ILE 180 Ca 0.12 -1.22 -0.07 0.00 -0.26 0.00 0.00 60.65 59.22 1mfn s ILE 180 Cb -0.10 -0.78 -0.01 0.00 1.25 0.00 0.00 42.46 42.81 1mfn s ILE 180 CO 0.02 -0.47 0.92 0.20 0.24 0.00 0.00 174.94 175.85 1mfn s ASN 181 N -1.83 5.86 0.10 4.36 -0.87 -1.26 -0.27 114.94 121.02 1mfn s ASN 181 Ca -0.06 0.94 -0.19 0.00 -1.57 0.00 0.00 52.86 51.98 1mfn s ASN 181 Cb -0.07 -2.01 0.04 0.00 -0.02 0.00 0.00 41.25 39.19 1mfn s ASN 181 CO -0.01 -0.94 0.46 -0.47 -2.57 0.00 0.00 177.10 173.57 1mfn s TYR 182 N -3.01 -0.31 -0.14 2.20 6.14 -0.93 -4.74 117.35 116.56 1mfn s TYR 182 Ca 0.53 0.14 0.00 0.00 0.64 0.00 0.00 57.07 58.38 1mfn s TYR 182 Cb -0.11 0.31 0.03 0.00 0.42 0.00 0.00 41.96 42.61 1mfn s TYR 182 CO 0.47 -0.69 -0.11 0.15 0.64 0.00 0.00 175.55 176.02 1mfn s LYS 183 N -3.25 1.94 0.00 4.97 3.01 -1.26 0.19 119.74 125.33 1mfn s LYS 183 Ca -0.01 -0.48 0.27 0.00 -1.01 0.00 0.00 55.97 54.75 1mfn s LYS 183 Cb 0.00 -1.95 0.94 0.00 -1.01 0.00 0.00 37.83 35.81 1mfn s LYS 183 CO -0.08 -0.28 1.68 0.25 0.51 0.00 0.00 175.35 177.43