#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nf7 n SER 11 N 0.00 -4.66 -0.04 8.00 2.88 -1.26 -4.97 113.62 113.57 1nf7 n SER 11 Ca 0.00 -0.29 -0.05 0.00 -1.33 0.00 0.00 58.87 57.21 1nf7 n SER 11 Cb 0.00 -3.33 -0.02 0.00 -0.75 0.00 0.00 64.21 60.11 1nf7 n SER 11 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nf7 n TYR 12 N -4.07 0.00 -2.13 0.66 9.36 -1.26 -5.11 117.16 114.61 1nf7 n TYR 12 Ca -0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.20 1nf7 n TYR 12 Cb 0.55 -0.26 0.00 0.00 -0.63 0.00 0.00 39.34 39.00 1nf7 n TYR 12 CO 0.00 0.00 0.00 1.33 0.22 0.00 0.00 176.86 178.41 1nf7 n VAL 13 N -3.65-11.81 0.00 2.97 0.24 -1.26 -5.01 118.33 99.82 1nf7 n VAL 13 Ca -0.07 2.73 0.00 0.00 -2.04 0.00 0.00 64.34 64.95 1nf7 n VAL 13 Cb 0.27 -5.62 0.00 0.00 -1.47 0.00 0.00 33.84 27.01 1nf7 n VAL 13 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1nf7 n PRO 14 N 1.57 -1.96 -2.88 7.34 -0.02 -1.26 -4.96 135.00 132.83 1nf7 n PRO 14 Ca 0.00 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.14 1nf7 n PRO 14 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.47 1nf7 n PRO 14 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1nf7 n ASP 15 N -2.97 5.78 -4.76 2.55 2.03 -1.26 -5.05 116.55 112.87 1nf7 n ASP 15 Ca 0.00 -3.63 -0.37 0.00 0.52 0.00 0.00 54.79 51.31 1nf7 n ASP 15 Cb 0.00 -0.89 0.02 0.00 -0.72 0.00 0.00 41.12 39.52 1nf7 n ASP 15 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1nf7 s ASP 16 N -2.34 5.65 0.00 1.67 2.15 -1.26 -4.92 116.67 117.62 1nf7 s ASP 16 Ca 0.42 2.44 0.00 0.00 0.43 0.00 0.00 52.55 55.84 1nf7 s ASP 16 Cb 0.21 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 1nf7 s ASP 16 CO -0.09 -1.28 0.00 0.61 -0.17 0.00 0.00 175.17 174.23 1nf7 n GLY 17 N 0.52 3.66 3.90 2.66 0.00 -1.26 -5.02 105.19 109.64 1nf7 n GLY 17 Ca 0.10 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.30 1nf7 n GLY 17 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nf7 s LEU 18 N 0.00 4.13 0.16 0.99 2.96 -0.72 -4.86 118.68 121.34 1nf7 s LEU 18 Ca 0.00 0.74 0.05 0.00 -0.22 0.00 0.00 54.13 54.69 1nf7 s LEU 18 Cb 0.00 -3.52 -0.04 0.00 0.50 0.00 0.00 46.19 43.13 1nf7 s LEU 18 CO 0.00 -0.12 0.15 -0.89 -1.32 0.00 0.00 176.35 174.17 1nf7 s THR 19 N -1.94 4.58 0.19 3.68 2.01 -1.26 -0.79 115.64 122.10 1nf7 s THR 19 Ca 0.44 -1.02 -0.21 0.00 0.31 0.00 0.00 61.69 61.21 1nf7 s THR 19 Cb -0.11 -3.33 0.12 0.00 0.01 0.00 0.00 72.50 69.19 1nf7 s THR 19 CO 0.27 -0.09 1.59 0.00 -0.69 0.00 0.00 174.62 175.69 1nf7 h ALA 20 N 2.43 -0.06 -1.36 7.40 0.00 -1.83 -2.89 119.26 122.95 1nf7 h ALA 20 Ca -0.48 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1nf7 h ALA 20 Cb 1.20 0.79 0.00 0.00 0.00 0.00 0.00 17.79 19.78 1nf7 h ALA 20 CO 0.64 -0.68 0.00 0.94 0.00 0.00 0.00 179.25 180.14 1nf7 n GLN 21 N -5.43 0.00 0.11 0.00 -0.06 -1.26 -0.17 117.38 110.56 1nf7 n GLN 21 Ca 0.04 0.70 0.05 0.00 -2.00 0.00 0.00 57.00 55.79 1nf7 n GLN 21 Cb 0.35 -1.17 0.26 0.00 -4.06 0.00 0.00 30.24 25.63 1nf7 n GLN 21 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 1nf7 n GLN 22 N -1.97 0.07 -0.09 3.69 7.27 -1.14 -1.50 117.38 123.71 1nf7 n GLN 22 Ca 0.00 0.50 -0.08 0.00 0.07 0.00 0.00 57.00 57.49 1nf7 n GLN 22 Cb 0.00 -1.93 -0.16 0.00 2.41 0.00 0.00 30.24 30.56 1nf7 n GLN 22 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1nf7 n LEU 23 N -1.83 0.07 -0.04 1.69 7.94 0.76 -4.62 117.00 120.96 1nf7 n LEU 23 Ca -0.01 0.03 0.01 0.00 -1.11 0.00 0.00 56.01 54.94 1nf7 n LEU 23 Cb 0.23 0.44 0.02 0.00 0.53 0.00 0.00 43.42 44.63 1nf7 n LEU 23 CO 0.04 0.45 0.43 0.49 -1.11 0.00 0.00 177.39 177.69 1nf7 n PHE 24 N -2.73 0.00 -1.78 1.96 3.72 0.08 -4.80 117.46 113.91 1nf7 n PHE 24 Ca -0.30 -0.40 0.01 0.00 -0.05 0.00 0.00 57.45 56.71 1nf7 n PHE 24 Cb 1.10 -0.05 0.16 0.00 -0.94 0.00 0.00 39.48 39.75 1nf7 n PHE 24 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1nf7 n ASN 25 N -0.46 2.19 0.00 4.37 4.05 -0.56 -4.82 115.26 120.03 1nf7 n ASN 25 Ca 0.02 -3.67 0.00 0.00 0.45 0.00 0.00 54.58 51.38 1nf7 n ASN 25 Cb 0.39 -0.48 0.00 0.00 1.23 0.00 0.00 39.78 40.93 1nf7 n ASN 25 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1nf7 n GLY 27 N 2.97 0.00 0.08 0.00 0.00 -1.26 -5.01 105.19 101.96 1nf7 n GLY 27 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1nf7 n GLY 27 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1nf7 h ASP 28 N 0.00 0.00 -5.14 1.61 3.32 -1.95 -3.49 116.42 110.76 1nf7 h ASP 28 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1nf7 h ASP 28 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1nf7 h ASP 28 CO 0.00 0.91 -0.41 0.61 -1.72 0.00 0.00 179.24 178.63 1nf7 n GLY 29 N 1.36 -1.27 3.71 2.75 0.00 -1.26 -5.04 105.19 105.45 1nf7 n GLY 29 Ca -0.02 1.08 -0.26 0.00 0.00 0.00 0.00 46.02 46.82 1nf7 n GLY 29 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1nf7 s LEU 30 N -2.68 3.50 0.00 0.99 0.05 -1.26 -4.84 118.68 114.44 1nf7 s LEU 30 Ca 0.20 -0.30 0.04 0.00 0.05 0.00 0.00 54.13 54.13 1nf7 s LEU 30 Cb -0.06 -2.13 0.04 0.00 -2.05 0.00 0.00 46.19 41.99 1nf7 s LEU 30 CO 0.72 0.08 0.35 0.35 -0.55 0.00 0.00 176.35 177.30 1nf7 n THR 31 N -0.20 0.00 -0.27 5.48 -2.24 -1.26 -2.97 114.28 112.82 1nf7 n THR 31 Ca -0.09 -1.51 0.03 0.00 -2.27 0.00 0.00 64.05 60.20 1nf7 n THR 31 Cb 0.55 -0.26 0.16 0.00 -2.10 0.00 0.00 70.33 68.68 1nf7 n THR 31 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 1nf7 h TYR 32 N 0.51 0.72 0.00 4.78 0.05 -1.94 -1.38 116.97 119.70 1nf7 h TYR 32 Ca -0.24 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.57 1nf7 h TYR 32 Cb 0.90 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.43 1nf7 h TYR 32 CO 0.00 0.26 0.00 0.09 -1.05 0.00 0.00 178.16 177.46 1nf7 n ASN 33 N -4.83 0.00 -0.45 3.88 3.02 -1.26 -2.97 115.26 112.65 1nf7 n ASN 33 Ca 0.13 -0.36 0.12 0.00 -0.03 0.00 0.00 54.58 54.44 1nf7 n ASN 33 Cb 0.30 -0.07 0.26 0.00 -0.61 0.00 0.00 39.78 39.66 1nf7 n ASN 33 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1nf7 n ASP 34 N -1.07 1.64 -3.72 6.41 8.00 -0.52 -4.82 116.55 122.48 1nf7 n ASP 34 Ca 0.11 -1.32 -0.11 0.00 0.71 0.00 0.00 54.79 54.19 1nf7 n ASP 34 Cb 0.07 0.20 -0.05 0.00 -0.02 0.00 0.00 41.12 41.32 1nf7 n ASP 34 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1nf7 s PHE 35 N -2.35 0.57 0.26 1.24 -0.71 -1.16 0.02 117.98 115.85 1nf7 s PHE 35 Ca 0.25 -0.91 0.04 0.00 -1.04 0.00 0.00 56.93 55.27 1nf7 s PHE 35 Cb 0.19 0.14 -0.01 0.00 -1.21 0.00 0.00 43.02 42.13 1nf7 s PHE 35 CO 0.48 -1.07 0.14 1.28 -1.34 0.00 0.00 175.22 174.71 1nf7 n LEU 36 N -0.44 0.00 -3.78 -1.99 4.77 -0.62 -4.89 117.00 110.06 1nf7 n LEU 36 Ca -0.01 -2.15 -0.29 0.00 -0.03 0.00 0.00 56.01 53.53 1nf7 n LEU 36 Cb 0.62 0.88 -0.16 0.00 -2.33 0.00 0.00 43.42 42.43 1nf7 n LEU 36 CO 0.25 -0.34 -0.37 -0.63 -1.33 0.00 0.00 177.39 174.97 1nf7 s ILE 37 N -2.73 0.84 0.18 -0.08 1.01 -1.26 -3.35 121.20 115.82 1nf7 s ILE 37 Ca 0.19 -0.97 -0.33 0.00 0.00 0.00 0.00 60.65 59.54 1nf7 s ILE 37 Cb 0.01 -1.39 -0.14 0.00 0.01 0.00 0.00 42.46 40.95 1nf7 s ILE 37 CO 0.14 -0.34 1.51 0.18 0.00 0.00 0.00 174.94 176.42 1nf7 n LEU 38 N 4.91 3.03 -4.62 2.97 7.99 -0.85 -4.95 117.00 125.47 1nf7 n LEU 38 Ca -0.07 1.11 -0.30 0.00 -0.01 0.00 0.00 56.01 56.74 1nf7 n LEU 38 Cb 0.45 -1.42 0.19 0.00 -0.11 0.00 0.00 43.42 42.53 1nf7 n LEU 38 CO 0.13 -0.39 0.62 -2.16 -1.51 0.00 0.00 177.39 174.08 1nf7 s PRO 39 N 0.43 0.44 0.00 3.23 0.04 -1.26 -4.62 135.00 133.26 1nf7 s PRO 39 Ca 0.75 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1nf7 s PRO 39 Cb -0.68 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1nf7 s PRO 39 CO 0.42 -2.89 0.00 0.41 0.04 0.00 0.00 177.00 174.98 1nf7 n GLY 40 N 0.07 3.53 3.43 0.56 0.00 -0.79 -4.97 105.19 107.03 1nf7 n GLY 40 Ca 0.08 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 1nf7 n GLY 40 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1nf7 s TYR 41 N 3.88 2.93 -0.22 1.61 5.04 -1.25 -4.93 117.35 124.41 1nf7 s TYR 41 Ca 0.00 -0.48 -0.08 0.00 -2.44 0.00 0.00 57.07 54.07 1nf7 s TYR 41 Cb 0.00 -1.92 -0.04 0.00 0.35 0.00 0.00 41.96 40.36 1nf7 s TYR 41 CO 0.00 -0.14 0.08 0.42 -1.34 0.00 0.00 175.55 174.57 1nf7 s ILE 42 N 0.41 4.60 -0.33 3.14 1.01 -1.26 -4.33 121.20 124.44 1nf7 s ILE 42 Ca -0.07 -0.08 0.16 0.00 0.00 0.00 0.00 60.65 60.66 1nf7 s ILE 42 Cb -0.15 -3.12 0.45 0.00 0.01 0.00 0.00 42.46 39.65 1nf7 s ILE 42 CO 0.04 0.39 1.21 -0.90 0.00 0.00 0.00 174.94 175.68 1nf7 n ASP 43 N 4.30 0.12 -3.62 3.58 5.75 -1.26 -5.09 116.55 120.33 1nf7 n ASP 43 Ca -0.16 -2.36 -0.04 0.00 -0.01 0.00 0.00 54.79 52.22 1nf7 n ASP 43 Cb 0.52 0.09 -0.03 0.00 -1.03 0.00 0.00 41.12 40.66 1nf7 n ASP 43 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 1nf7 s PHE 44 N -1.88 -0.11 0.29 2.11 -0.71 -1.26 -5.16 117.98 111.25 1nf7 s PHE 44 Ca 0.22 0.12 -0.14 0.00 -1.04 0.00 0.00 56.93 56.09 1nf7 s PHE 44 Cb 0.41 0.50 -0.08 0.00 -1.21 0.00 0.00 43.02 42.63 1nf7 s PHE 44 CO -0.05 -0.14 0.69 0.95 -1.34 0.00 0.00 175.22 175.33 1nf7 s THR 45 N -1.75 4.73 0.26 -4.49 -4.23 -1.26 -4.98 115.64 103.92 1nf7 s THR 45 Ca 0.08 0.86 -0.04 0.00 -1.18 0.00 0.00 61.69 61.41 1nf7 s THR 45 Cb -0.01 -3.63 0.28 0.00 1.34 0.00 0.00 72.50 70.48 1nf7 s THR 45 CO -0.05 -0.12 1.64 0.00 -0.54 0.00 0.00 174.62 175.56 1nf7 h ALA 46 N 2.45 0.95 0.00 3.99 0.00 -1.96 0.12 119.26 124.80 1nf7 h ALA 46 Ca -0.48 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1nf7 h ALA 46 Cb 1.18 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1nf7 h ALA 46 CO 0.66 -0.42 0.00 -0.40 0.00 0.00 0.00 179.25 179.09 1nf7 n ASP 47 N -5.29 0.00 -0.19 0.00 3.85 -1.26 -1.02 116.55 112.64 1nf7 n ASP 47 Ca 0.16 0.21 0.13 0.00 -0.71 0.00 0.00 54.79 54.58 1nf7 n ASP 47 Cb 0.53 -0.30 0.46 0.00 -1.35 0.00 0.00 41.12 40.46 1nf7 n ASP 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1nf7 n GLN 48 N -1.30 0.75 -2.53 0.11 6.02 0.41 -4.84 117.38 115.99 1nf7 n GLN 48 Ca 0.03 -0.38 -0.42 0.00 -0.01 0.00 0.00 57.00 56.22 1nf7 n GLN 48 Cb 0.06 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.80 1nf7 n GLN 48 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1nf7 s VAL 49 N -2.51 4.42 -0.27 5.09 1.01 -0.19 -4.90 120.40 123.05 1nf7 s VAL 49 Ca 0.25 1.73 -0.18 0.00 0.00 0.00 0.00 61.98 63.78 1nf7 s VAL 49 Cb 0.19 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 1nf7 s VAL 49 CO 0.51 -0.01 0.52 -0.62 0.00 0.00 0.00 175.10 175.50 1nf7 s ASP 50 N 1.37 6.42 0.00 3.32 2.15 -0.23 -4.95 116.67 124.76 1nf7 s ASP 50 Ca 0.53 0.48 0.21 0.00 0.43 0.00 0.00 52.55 54.20 1nf7 s ASP 50 Cb -0.22 -2.28 0.55 0.00 -0.30 0.00 0.00 42.92 40.66 1nf7 s ASP 50 CO 0.20 -0.31 1.45 0.18 -0.17 0.00 0.00 175.17 176.53 1nf7 n LEU 51 N 5.57 2.69 -4.58 -1.34 4.77 -1.26 -2.91 117.00 119.93 1nf7 n LEU 51 Ca -0.04 -1.17 -0.52 0.00 -0.03 0.00 0.00 56.01 54.25 1nf7 n LEU 51 Cb 0.50 -0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.33 1nf7 n LEU 51 CO 0.41 0.58 0.83 0.41 -1.33 0.00 0.00 177.39 178.30 1nf7 n THR 52 N 0.99 0.23 -3.71 -5.08 -1.04 -1.19 -4.08 114.28 100.40 1nf7 n THR 52 Ca 0.18 -0.06 -0.12 0.00 -2.04 0.00 0.00 64.05 62.01 1nf7 n THR 52 Cb 0.48 -0.78 -0.06 0.00 -1.82 0.00 0.00 70.33 68.15 1nf7 n THR 52 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1nf7 s SER 53 N 0.33 -0.19 0.02 8.00 1.04 -1.01 -4.67 113.70 117.22 1nf7 s SER 53 Ca 0.82 -0.16 -0.17 0.00 0.48 0.00 0.00 55.95 56.91 1nf7 s SER 53 Cb -0.95 0.40 -0.06 0.00 0.10 0.00 0.00 66.02 65.52 1nf7 s SER 53 CO 0.49 -0.68 0.49 0.00 0.98 0.00 0.00 173.24 174.52 1nf7 s ALA 54 N -2.80 3.62 -0.17 5.32 0.00 -1.26 -1.36 121.76 125.11 1nf7 s ALA 54 Ca -0.03 -0.09 0.16 0.00 0.00 0.00 0.00 51.96 52.00 1nf7 s ALA 54 Cb -0.00 -2.53 -0.24 0.00 0.00 0.00 0.00 23.12 20.34 1nf7 s ALA 54 CO -0.05 0.39 0.19 -0.11 0.00 0.00 0.00 175.76 176.18 1nf7 n LEU 55 N 1.98 0.30 -4.02 0.00 7.94 -0.92 -4.37 117.00 117.92 1nf7 n LEU 55 Ca -0.11 0.08 -0.13 0.00 -1.11 0.00 0.00 56.01 54.74 1nf7 n LEU 55 Cb 0.51 0.37 -0.03 0.00 0.53 0.00 0.00 43.42 44.80 1nf7 n LEU 55 CO 0.40 0.49 0.22 0.42 -1.11 0.00 0.00 177.39 177.81 1nf7 s THR 56 N -2.51 0.00 0.53 1.96 -4.23 -1.18 -4.79 115.64 105.42 1nf7 s THR 56 Ca -0.10 -1.45 0.20 0.00 -1.18 0.00 0.00 61.69 59.16 1nf7 s THR 56 Cb 0.07 -2.61 0.32 0.00 1.34 0.00 0.00 72.50 71.62 1nf7 s THR 56 CO 0.82 0.00 2.09 0.11 -0.54 0.00 0.00 174.62 177.10 1nf7 h LYS 57 N 2.12 0.00 0.00 3.99 1.57 -1.73 -3.13 116.57 119.38 1nf7 h LYS 57 Ca -0.29 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.28 1nf7 h LYS 57 Cb 1.24 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.51 1nf7 h LYS 57 CO 0.39 0.00 -1.91 1.63 -0.57 0.00 0.00 179.45 178.98 1nf7 n LYS 58 N -4.45 1.56 -3.80 3.15 4.76 -1.26 -5.03 118.16 113.09 1nf7 n LYS 58 Ca 0.02 -0.02 -0.32 0.00 -2.87 0.00 0.00 58.31 55.11 1nf7 n LYS 58 Cb 0.29 -1.36 -0.05 0.00 -1.84 0.00 0.00 35.03 32.08 1nf7 n LYS 58 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1nf7 s ILE 59 N -2.43 5.30 -0.02 -0.18 1.01 -1.19 -5.07 121.20 118.63 1nf7 s ILE 59 Ca -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.47 1nf7 s ILE 59 Cb 0.05 -3.61 0.02 0.00 0.01 0.00 0.00 42.46 38.93 1nf7 s ILE 59 CO 0.57 0.17 0.01 -0.89 0.00 0.00 0.00 174.94 174.80 1nf7 s THR 60 N -1.50 0.04 0.22 2.92 2.01 -1.26 -2.17 115.64 115.91 1nf7 s THR 60 Ca 0.35 0.12 0.07 0.00 0.31 0.00 0.00 61.69 62.54 1nf7 s THR 60 Cb -0.13 -0.14 -0.04 0.00 0.01 0.00 0.00 72.50 72.21 1nf7 s THR 60 CO 0.24 0.09 0.12 -0.76 -0.69 0.00 0.00 174.62 173.62 1nf7 s LEU 61 N 0.82 3.63 0.31 4.42 1.43 -0.47 -4.94 118.68 123.87 1nf7 s LEU 61 Ca -0.07 -0.32 0.15 0.00 -1.03 0.00 0.00 54.13 52.86 1nf7 s LEU 61 Cb -0.10 -2.19 0.41 0.00 0.03 0.00 0.00 46.19 44.34 1nf7 s LEU 61 CO -0.02 0.01 1.61 0.11 0.23 0.00 0.00 176.35 178.29 1nf7 h LYS 62 N 1.94 0.00 -4.91 1.70 1.79 -1.76 -2.67 116.57 112.65 1nf7 h LYS 62 Ca -0.47 0.00 -0.40 0.00 -2.18 0.00 0.00 60.65 57.60 1nf7 h LYS 62 Cb 1.23 0.00 -0.27 0.00 -1.58 0.00 0.00 32.23 31.61 1nf7 h LYS 62 CO 0.61 0.51 -0.78 0.95 -1.08 0.00 0.00 179.45 179.65 1nf7 s THR 63 N -3.39 0.83 -2.00 -0.16 -4.23 -0.83 -3.16 115.64 102.71 1nf7 s THR 63 Ca 0.01 -0.65 0.02 0.00 -1.18 0.00 0.00 61.69 59.89 1nf7 s THR 63 Cb 0.10 -0.74 0.06 0.00 1.34 0.00 0.00 72.50 73.27 1nf7 s THR 63 CO 0.72 0.09 0.76 -0.81 -0.54 0.00 0.00 174.62 174.84 1nf7 n PRO 64 N 2.43 0.66 -3.03 3.99 -0.04 -1.26 -4.49 135.00 133.26 1nf7 n PRO 64 Ca -0.16 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.94 1nf7 n PRO 64 Cb 0.56 -1.05 -0.06 0.00 -0.04 0.00 0.00 33.50 32.91 1nf7 n PRO 64 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1nf7 s LEU 65 N -1.10 4.31 -0.18 1.53 1.43 -1.26 -0.82 118.68 122.59 1nf7 s LEU 65 Ca 0.03 1.50 -0.07 0.00 -1.03 0.00 0.00 54.13 54.56 1nf7 s LEU 65 Cb 0.01 -3.73 0.08 0.00 0.03 0.00 0.00 46.19 42.58 1nf7 s LEU 65 CO 0.02 -0.01 0.39 -0.69 0.23 0.00 0.00 176.35 176.29 1nf7 s VAL 66 N -1.59 -0.42 0.37 -1.59 1.01 -0.71 -3.21 120.40 114.26 1nf7 s VAL 66 Ca 0.46 0.16 -0.25 0.00 0.00 0.00 0.00 61.98 62.34 1nf7 s VAL 66 Cb -0.16 -0.61 -0.09 0.00 0.00 0.00 0.00 36.38 35.51 1nf7 s VAL 66 CO 0.21 0.07 1.07 -0.94 0.00 0.00 0.00 175.10 175.51 1nf7 s SER 67 N 2.20 6.86 0.44 3.32 1.04 -0.75 -1.16 113.70 125.64 1nf7 s SER 67 Ca -0.04 2.11 -0.21 0.00 0.48 0.00 0.00 55.95 58.30 1nf7 s SER 67 Cb -0.11 -2.60 -0.11 0.00 0.10 0.00 0.00 66.02 63.31 1nf7 s SER 67 CO -0.12 -0.42 0.96 -0.55 0.98 0.00 0.00 173.24 174.09 1nf7 s SER 68 N -1.37 6.86 -1.44 7.02 0.15 0.51 -3.44 113.70 121.98 1nf7 s SER 68 Ca 0.55 1.73 -0.10 0.00 0.70 0.00 0.00 55.95 58.82 1nf7 s SER 68 Cb -0.25 -2.54 -0.06 0.00 -1.71 0.00 0.00 66.02 61.45 1nf7 s SER 68 CO 0.31 -0.42 2.65 -2.65 1.20 0.00 0.00 173.24 174.34 1nf7 n PRO 69 N -0.67 3.19 -4.99 5.44 -0.02 -1.23 -3.20 135.00 133.52 1nf7 n PRO 69 Ca 0.07 -2.13 -0.29 0.00 -2.02 0.00 0.00 63.50 59.14 1nf7 n PRO 69 Cb 0.54 -2.83 -0.15 0.00 -0.02 0.00 0.00 33.50 31.03 1nf7 n PRO 69 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1nf7 s MET 70 N 2.68 1.76 0.00 -0.52 -1.94 -1.26 -4.39 119.30 115.62 1nf7 s MET 70 Ca 0.60 -0.93 0.00 0.00 -1.71 0.00 0.00 55.69 53.66 1nf7 s MET 70 Cb 0.16 -1.80 0.02 0.00 2.01 0.00 0.00 34.83 35.22 1nf7 s MET 70 CO -0.05 0.48 0.14 -0.40 -0.01 0.00 0.00 175.02 175.18 1nf7 n ASP 71 N 2.18 0.00 0.00 3.03 3.85 -1.26 -0.63 116.55 123.72 1nf7 n ASP 71 Ca -0.16 -0.15 0.00 0.00 -0.71 0.00 0.00 54.79 53.76 1nf7 n ASP 71 Cb 0.52 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.29 1nf7 n ASP 71 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.20 176.60 1nf7 n THR 72 N -0.55 0.21 0.06 2.12 -1.04 -1.26 -4.82 114.28 109.00 1nf7 n THR 72 Ca 0.00 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.67 1nf7 n THR 72 Cb 0.00 1.18 0.00 0.00 -1.82 0.00 0.00 70.33 69.69 1nf7 n THR 72 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1nf7 n VAL 73 N -0.11 0.81 -4.23 12.58 0.31 0.20 -4.19 118.33 123.70 1nf7 n VAL 73 Ca 0.00 0.27 -0.34 0.00 -0.01 0.00 0.00 64.34 64.25 1nf7 n VAL 73 Cb 0.25 -1.26 -0.12 0.00 -0.91 0.00 0.00 33.84 31.80 1nf7 n VAL 73 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1nf7 s THR 74 N -1.83 3.88 -0.28 2.52 2.01 -1.05 -4.33 115.64 116.56 1nf7 s THR 74 Ca 0.00 -0.35 -0.17 0.00 0.31 0.00 0.00 61.69 61.48 1nf7 s THR 74 Cb 0.00 -2.73 0.11 0.00 0.01 0.00 0.00 72.50 69.89 1nf7 s THR 74 CO 0.00 0.46 0.85 -0.70 -0.69 0.00 0.00 174.62 174.54 1nf7 s GLU 75 N 0.71 0.55 0.00 4.92 2.12 -1.26 -3.70 118.70 122.04 1nf7 s GLU 75 Ca -0.01 0.90 0.00 0.00 0.36 0.00 0.00 54.97 56.22 1nf7 s GLU 75 Cb -0.14 0.13 0.00 0.00 0.26 0.00 0.00 34.13 34.38 1nf7 s GLU 75 CO 0.02 -0.11 0.00 0.00 -0.54 0.00 0.00 175.26 174.63 1nf7 n ALA 76 N 3.77 0.00 -0.30 6.30 0.00 -1.26 0.12 120.51 129.14 1nf7 n ALA 76 Ca -0.18 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.38 1nf7 n ALA 76 Cb 0.58 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.32 1nf7 n ALA 76 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1nf7 h GLY 77 N 0.00 1.40 0.84 0.00 0.00 -1.95 0.19 103.07 103.56 1nf7 h GLY 77 Ca 0.00 -0.07 -0.14 0.00 0.00 0.00 0.00 47.33 47.12 1nf7 h GLY 77 CO 0.00 -0.33 -0.49 1.98 0.00 0.00 0.00 176.54 177.70 1nf7 h MET 78 N 0.26 0.48 0.00 4.80 -1.53 0.89 -1.31 114.93 118.53 1nf7 h MET 78 Ca 0.55 -0.40 -0.00 0.00 -3.44 0.00 0.00 59.70 56.40 1nf7 h MET 78 Cb 1.08 0.09 -0.00 0.00 -0.55 0.00 0.00 31.60 32.22 1nf7 h MET 78 CO -0.61 1.04 -0.01 0.00 0.14 0.00 0.00 176.91 177.47 1nf7 h ALA 79 N 0.45 1.02 0.00 0.39 0.00 -1.27 0.10 119.26 119.96 1nf7 h ALA 79 Ca -0.04 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1nf7 h ALA 79 Cb 1.14 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1nf7 h ALA 79 CO 0.10 0.01 -0.50 0.82 0.00 0.00 0.00 179.25 179.68 1nf7 h ILE 80 N 0.00 0.78 -0.25 0.00 2.04 -0.59 -2.99 117.51 116.50 1nf7 h ILE 80 Ca -0.00 -1.74 0.04 0.00 1.00 0.00 0.00 64.86 64.16 1nf7 h ILE 80 Cb 0.22 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.89 1nf7 h ILE 80 CO 0.00 0.27 0.03 0.00 0.00 0.00 0.00 178.15 178.44 1nf7 h ALA 81 N -0.57 0.24 -0.28 1.87 0.00 -1.06 0.17 119.26 119.63 1nf7 h ALA 81 Ca -0.11 0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1nf7 h ALA 81 Cb 0.79 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 1nf7 h ALA 81 CO -0.07 -0.39 -0.06 1.98 0.00 0.00 0.00 179.25 180.71 1nf7 h MET 82 N 0.11 0.01 -0.97 0.00 -1.53 -0.97 0.21 114.93 111.79 1nf7 h MET 82 Ca 0.12 -0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.38 1nf7 h MET 82 Cb 0.14 -0.00 -0.05 0.00 -0.55 0.00 0.00 31.60 31.14 1nf7 h MET 82 CO -0.18 0.01 0.62 0.00 0.14 0.00 0.00 176.91 177.50 1nf7 h ALA 83 N 1.28 1.24 -0.34 0.39 0.00 -1.22 0.20 119.26 120.81 1nf7 h ALA 83 Ca 0.14 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1nf7 h ALA 83 Cb 0.20 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1nf7 h ALA 83 CO -0.28 0.66 -0.22 -0.07 0.00 0.00 0.00 179.25 179.33 1nf7 h LEU 84 N 1.33 0.67 0.00 0.00 3.38 0.58 -0.08 115.31 121.18 1nf7 h LEU 84 Ca 0.35 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1nf7 h LEU 84 Cb -0.11 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.45 1nf7 h LEU 84 CO -0.07 0.88 0.00 0.35 0.09 0.00 0.00 178.44 179.68 1nf7 n THR 85 N -4.12 0.03 0.00 0.22 -2.24 0.61 -3.70 114.28 105.07 1nf7 n THR 85 Ca 0.00 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1nf7 n THR 85 Cb 0.41 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 1nf7 n THR 85 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nf7 n GLY 86 N 1.15 1.02 0.00 3.38 0.00 -0.95 -4.87 105.19 104.92 1nf7 n GLY 86 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1nf7 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nf7 n GLY 87 N -0.47 3.58 3.38 -0.02 0.00 0.67 -1.97 105.19 110.37 1nf7 n GLY 87 Ca 0.00 -1.88 -0.10 0.00 0.00 0.00 0.00 46.02 44.05 1nf7 n GLY 87 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1nf7 s ILE 88 N 2.41 0.05 0.11 -0.61 2.07 -1.20 -3.44 121.20 120.59 1nf7 s ILE 88 Ca 0.00 -1.35 0.01 0.00 -1.41 0.00 0.00 60.65 57.89 1nf7 s ILE 88 Cb 0.00 -1.89 -0.04 0.00 0.13 0.00 0.00 42.46 40.66 1nf7 s ILE 88 CO 0.00 -0.23 -0.02 -0.83 -1.91 0.00 0.00 174.94 171.95 1nf7 s GLY 89 N -2.97 0.84 -0.17 1.50 0.00 -1.26 -1.82 107.32 103.44 1nf7 s GLY 89 Ca 0.18 -1.39 -0.00 0.00 0.00 0.00 0.00 44.72 43.51 1nf7 s GLY 89 CO 0.01 -1.42 -0.08 -1.36 0.00 0.00 0.00 173.10 170.25 1nf7 s PHE 90 N -3.77 1.93 0.13 1.90 0.40 -1.22 -1.03 117.98 116.32 1nf7 s PHE 90 Ca 0.15 -1.19 -0.31 0.00 -0.60 0.00 0.00 56.93 54.98 1nf7 s PHE 90 Cb 0.06 -1.43 -0.08 0.00 0.51 0.00 0.00 43.02 42.08 1nf7 s PHE 90 CO -0.03 -0.64 1.37 0.42 0.70 0.00 0.00 175.22 177.03 1nf7 s ILE 91 N 1.56 3.31 0.93 0.64 -1.09 -1.01 -3.56 121.20 121.99 1nf7 s ILE 91 Ca 0.01 0.97 -0.11 0.00 -2.23 0.00 0.00 60.65 59.29 1nf7 s ILE 91 Cb -0.15 -3.62 0.15 0.00 -1.58 0.00 0.00 42.46 37.26 1nf7 s ILE 91 CO -0.08 0.09 1.09 -1.38 -1.23 0.00 0.00 174.94 173.43 1nf7 s HIS 92 N 0.90 2.07 -0.35 3.97 -3.43 -1.24 -2.47 115.29 114.75 1nf7 s HIS 92 Ca 0.63 1.35 0.07 0.00 -0.80 0.00 0.00 55.06 56.30 1nf7 s HIS 92 Cb -0.36 -3.17 0.48 0.00 -1.43 0.00 0.00 32.58 28.09 1nf7 s HIS 92 CO 0.32 -2.66 1.45 -2.39 -2.00 0.00 0.00 174.74 169.46 1nf7 n HIS 93 N -4.08 1.89 -2.94 0.38 1.44 -1.26 -4.82 115.22 105.82 1nf7 n HIS 93 Ca 0.07 -2.02 -0.43 0.00 -2.01 0.00 0.00 57.72 53.34 1nf7 n HIS 93 Cb 0.54 -0.58 0.01 0.00 0.12 0.00 0.00 29.99 30.09 1nf7 n HIS 93 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 1nf7 n ASN 94 N -0.97 6.58 0.00 4.39 4.05 -1.26 -4.87 115.26 123.19 1nf7 n ASN 94 Ca 0.41 -3.46 0.00 0.00 0.45 0.00 0.00 54.58 51.98 1nf7 n ASN 94 Cb 0.94 -1.26 0.00 0.00 1.23 0.00 0.00 39.78 40.70 1nf7 n ASN 94 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1nf7 n THR 96 N -0.36 1.75 -0.33 0.00 -2.24 -1.26 -4.50 114.28 107.34 1nf7 n THR 96 Ca 0.00 -0.50 0.23 0.00 -2.27 0.00 0.00 64.05 61.51 1nf7 n THR 96 Cb 0.00 -0.12 0.46 0.00 -2.10 0.00 0.00 70.33 68.57 1nf7 n THR 96 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1nf7 h PRO 97 N 0.96 0.28 -0.01 -0.78 0.11 -1.94 -1.24 132.00 129.37 1nf7 h PRO 97 Ca -0.31 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.81 1nf7 h PRO 97 Cb 1.43 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.42 1nf7 h PRO 97 CO 0.55 0.18 -0.34 0.93 -0.21 0.00 0.00 178.00 179.11 1nf7 h GLU 98 N 0.29 -0.47 -0.49 1.05 3.07 -1.94 0.60 114.58 116.69 1nf7 h GLU 98 Ca 0.72 0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.60 1nf7 h GLU 98 Cb 1.65 0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 29.65 1nf7 h GLU 98 CO -0.63 -0.32 0.25 0.74 -1.40 0.00 0.00 179.01 177.66 1nf7 h PHE 99 N -0.49 0.68 -0.49 4.33 -1.00 -1.55 0.14 116.94 118.56 1nf7 h PHE 99 Ca 0.06 -0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.80 1nf7 h PHE 99 Cb 0.58 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.90 1nf7 h PHE 99 CO -0.37 0.53 0.24 0.37 -1.61 0.00 0.00 178.31 177.47 1nf7 h GLN 100 N 0.64 0.71 -0.52 1.51 4.15 -1.12 -1.32 115.11 119.17 1nf7 h GLN 100 Ca 0.17 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 1nf7 h GLN 100 Cb 0.09 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.62 1nf7 h GLN 100 CO -0.02 0.59 0.31 0.00 -1.93 0.00 0.00 178.83 177.78 1nf7 h ALA 101 N 1.08 1.58 -0.17 3.38 0.00 0.57 -2.28 119.26 123.42 1nf7 h ALA 101 Ca 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1nf7 h ALA 101 Cb 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1nf7 h ALA 101 CO -0.02 0.37 0.07 -0.97 0.00 0.00 0.00 179.25 178.70 1nf7 h ASN 102 N 0.71 0.23 -0.35 0.00 -1.24 0.21 -1.83 115.58 113.32 1nf7 h ASN 102 Ca 0.19 -0.16 0.10 0.00 0.71 0.00 0.00 56.30 57.14 1nf7 h ASN 102 Cb -0.03 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 38.94 1nf7 h ASN 102 CO -0.04 0.33 0.35 -0.33 -1.29 0.00 0.00 177.43 176.45 1nf7 h GLU 103 N 0.13 0.00 0.20 6.67 4.39 -0.69 0.16 114.58 125.43 1nf7 h GLU 103 Ca 0.06 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 1nf7 h GLU 103 Cb 0.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1nf7 h GLU 103 CO -0.01 0.00 -0.09 0.28 -1.16 0.00 0.00 179.01 178.03 1nf7 h VAL 104 N 0.00 0.00 -0.89 3.13 2.07 -1.11 -2.60 116.25 116.84 1nf7 h VAL 104 Ca 0.16 -0.60 0.15 0.00 0.82 0.00 0.00 66.70 67.23 1nf7 h VAL 104 Cb 0.87 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.54 1nf7 h VAL 104 CO -0.00 0.00 0.49 -0.09 0.02 0.00 0.00 177.57 177.99 1nf7 h ARG 105 N -0.86 0.67 -0.67 1.57 2.43 -0.91 0.77 114.38 117.37 1nf7 h ARG 105 Ca -0.03 -0.04 0.13 0.00 -0.81 0.00 0.00 59.98 59.24 1nf7 h ARG 105 Cb 0.20 -0.15 -0.10 0.00 -0.42 0.00 0.00 29.97 29.50 1nf7 h ARG 105 CO 0.04 0.44 0.17 -0.22 -1.51 0.00 0.00 179.97 178.89 1nf7 h LYS 106 N 0.69 0.28 0.33 0.20 3.64 -0.78 0.09 116.57 121.01 1nf7 h LYS 106 Ca 0.48 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.83 1nf7 h LYS 106 Cb 0.67 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1nf7 h LYS 106 CO -0.35 0.18 -0.16 0.28 -2.27 0.00 0.00 179.45 177.13 1nf7 h VAL 107 N 0.29 0.27 -0.46 2.00 2.07 0.58 -3.27 116.25 117.73 1nf7 h VAL 107 Ca 0.36 -0.76 0.13 0.00 0.82 0.00 0.00 66.70 67.26 1nf7 h VAL 107 Cb 0.57 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1nf7 h VAL 107 CO -0.44 0.07 0.70 0.50 0.02 0.00 0.00 177.57 178.41 1nf7 h LYS 108 N -1.05 0.00 -0.98 1.57 1.63 0.59 0.10 116.57 118.43 1nf7 h LYS 108 Ca -0.05 0.00 -0.50 0.00 -0.85 0.00 0.00 60.65 59.25 1nf7 h LYS 108 Cb 0.45 0.00 -0.42 0.00 -0.60 0.00 0.00 32.23 31.66 1nf7 h LYS 108 CO 0.07 0.00 -0.87 0.36 -3.45 0.00 0.00 179.45 175.57 1nf7 n LYS 109 N -3.28 3.07 -3.36 1.90 2.85 -0.01 -4.50 118.16 114.82 1nf7 n LYS 109 Ca 0.09 -4.10 -0.38 0.00 -1.05 0.00 0.00 58.31 52.86 1nf7 n LYS 109 Cb 0.87 -2.08 -0.06 0.00 -0.65 0.00 0.00 35.03 33.11 1nf7 n LYS 109 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 177.40 176.88 1nf7 s TYR 110 N -3.56 3.65 -0.03 5.58 5.04 0.02 -4.98 117.35 123.08 1nf7 s TYR 110 Ca 0.45 1.03 0.01 0.00 -2.44 0.00 0.00 57.07 56.11 1nf7 s TYR 110 Cb 0.40 -2.46 0.02 0.00 0.35 0.00 0.00 41.96 40.27 1nf7 s TYR 110 CO -0.05 0.42 -0.01 -2.00 -1.34 0.00 0.00 175.55 172.57 1nf7 s GLU 111 N -0.33 0.35 0.10 4.97 2.12 -1.26 -4.76 118.70 119.89 1nf7 s GLU 111 Ca 0.26 0.03 -0.31 0.00 0.36 0.00 0.00 54.97 55.31 1nf7 s GLU 111 Cb -0.17 -0.49 -0.17 0.00 0.26 0.00 0.00 34.13 33.57 1nf7 s GLU 111 CO 0.14 -0.10 0.71 0.94 -0.54 0.00 0.00 175.26 176.41 1nf7 n GLN 112 N 3.96 0.00 0.00 4.30 0.00 -1.26 -1.43 117.38 122.95 1nf7 n GLN 112 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.75 1nf7 n GLN 112 Cb 0.52 -1.13 0.00 0.00 0.00 0.00 0.00 30.24 29.63 1nf7 n GLN 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1nf7 n GLY 113 N 1.63 1.24 3.71 1.69 0.00 -1.26 -4.95 105.19 107.25 1nf7 n GLY 113 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1nf7 n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1nf7 n PHE 114 N 0.00 2.44 -1.63 1.61 3.01 -0.51 -3.33 117.46 119.04 1nf7 n PHE 114 Ca 0.00 0.45 -0.45 0.00 1.01 0.00 0.00 57.45 58.45 1nf7 n PHE 114 Cb 0.00 -2.48 -0.02 0.00 -0.01 0.00 0.00 39.48 36.97 1nf7 n PHE 114 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 1nf7 n ILE 115 N 1.17 1.30 0.00 4.37 5.41 -0.39 -4.72 119.36 126.50 1nf7 n ILE 115 Ca 0.07 -0.32 0.00 0.00 1.00 0.00 0.00 62.75 63.50 1nf7 n ILE 115 Cb 0.35 -1.23 0.00 0.00 -0.71 0.00 0.00 39.64 38.05 1nf7 n ILE 115 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1nf7 n THR 116 N 1.24 0.00 -3.39 1.39 -2.24 -1.26 -4.61 114.28 105.41 1nf7 n THR 116 Ca 0.11 0.47 -0.25 0.00 -2.27 0.00 0.00 64.05 62.11 1nf7 n THR 116 Cb 0.30 -1.05 -0.10 0.00 -2.10 0.00 0.00 70.33 67.38 1nf7 n THR 116 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1nf7 s ASP 117 N -2.83 1.90 -0.44 3.42 1.01 -1.26 -4.99 116.67 113.47 1nf7 s ASP 117 Ca 0.00 -2.41 -0.43 0.00 0.71 0.00 0.00 52.55 50.41 1nf7 s ASP 117 Cb 0.00 -0.16 -0.18 0.00 1.01 0.00 0.00 42.92 43.59 1nf7 s ASP 117 CO 0.00 -0.24 1.86 -0.81 0.21 0.00 0.00 175.17 176.19 1nf7 n PRO 118 N 3.56 0.37 -1.59 8.23 -0.04 -1.26 -4.91 135.00 139.37 1nf7 n PRO 118 Ca 0.19 0.12 -0.36 0.00 -0.04 0.00 0.00 63.50 63.41 1nf7 n PRO 118 Cb 0.43 -1.74 0.08 0.00 -0.04 0.00 0.00 33.50 32.24 1nf7 n PRO 118 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1nf7 n VAL 119 N 5.25 4.31 -3.59 0.52 3.14 -1.26 -5.00 118.33 121.69 1nf7 n VAL 119 Ca 0.38 -0.43 -0.11 0.00 -2.96 0.00 0.00 64.34 61.22 1nf7 n VAL 119 Cb 0.02 -1.43 -0.03 0.00 -1.06 0.00 0.00 33.84 31.34 1nf7 n VAL 119 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1nf7 s VAL 120 N -1.55 0.03 0.20 1.55 0.11 -1.26 -5.17 120.40 114.31 1nf7 s VAL 120 Ca 0.81 -0.44 0.03 0.00 -2.93 0.00 0.00 61.98 59.44 1nf7 s VAL 120 Cb -0.36 -1.23 -0.05 0.00 -1.53 0.00 0.00 36.38 33.21 1nf7 s VAL 120 CO 0.43 -0.15 -0.01 -0.76 -3.33 0.00 0.00 175.10 171.27 1nf7 s LEU 121 N -2.81 2.19 0.21 2.54 1.43 -1.26 -5.17 118.68 115.81 1nf7 s LEU 121 Ca 0.04 -1.18 0.05 0.00 -1.03 0.00 0.00 54.13 52.01 1nf7 s LEU 121 Cb -0.00 -0.19 -0.03 0.00 0.03 0.00 0.00 46.19 46.00 1nf7 s LEU 121 CO -0.10 -0.52 0.29 -0.55 0.23 0.00 0.00 176.35 175.70 1nf7 s SER 122 N -3.24 6.09 0.58 2.29 0.15 -1.26 -4.97 113.70 113.34 1nf7 s SER 122 Ca 0.25 0.01 0.28 0.00 0.70 0.00 0.00 55.95 57.19 1nf7 s SER 122 Cb 0.05 -1.74 1.57 0.00 -1.71 0.00 0.00 66.02 64.19 1nf7 s SER 122 CO 0.06 -0.02 2.03 -0.65 1.20 0.00 0.00 173.24 175.86 1nf7 h PRO 123 N 1.58 0.00 0.00 5.44 0.11 -2.01 -3.44 132.00 133.68 1nf7 h PRO 123 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1nf7 h PRO 123 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1nf7 h PRO 123 CO 0.63 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.05 1nf7 n LYS 124 N -3.85 0.05 -0.92 1.05 4.76 -1.26 -2.25 118.16 115.74 1nf7 n LYS 124 Ca 0.04 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.49 1nf7 n LYS 124 Cb 0.45 -1.00 -0.01 0.00 -1.84 0.00 0.00 35.03 32.63 1nf7 n LYS 124 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nf7 n GLY 156 N -0.45 -0.60 3.34 0.72 0.00 -1.26 -4.15 105.19 102.79 1nf7 n GLY 156 Ca 0.00 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 1nf7 n GLY 156 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1nf7 n ILE 157 N -2.54 0.00 -3.03 -0.61 -0.00 -1.26 -4.87 119.36 107.05 1nf7 n ILE 157 Ca -0.01 -0.35 -0.15 0.00 -0.00 0.00 0.00 62.75 62.24 1nf7 n ILE 157 Cb 0.09 -0.86 -0.03 0.00 -0.00 0.00 0.00 39.64 38.84 1nf7 n ILE 157 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 1nf7 n ILE 158 N -4.99 -0.50 -2.51 1.39 2.08 -1.26 -4.60 119.36 108.97 1nf7 n ILE 158 Ca 0.03 -2.36 -0.42 0.00 0.56 0.00 0.00 62.75 60.56 1nf7 n ILE 158 Cb 0.56 -0.24 -0.03 0.00 -0.75 0.00 0.00 39.64 39.18 1nf7 n ILE 158 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1nf7 s SER 159 N -0.22 7.16 0.03 4.38 1.04 -1.26 -4.89 113.70 119.95 1nf7 s SER 159 Ca 0.32 1.91 0.02 0.00 0.48 0.00 0.00 55.95 58.68 1nf7 s SER 159 Cb 0.08 -2.58 0.11 0.00 0.10 0.00 0.00 66.02 63.74 1nf7 s SER 159 CO -0.14 -0.41 0.13 -1.20 0.98 0.00 0.00 173.24 172.60 1nf7 n SER 160 N 3.92 0.02 -0.01 7.02 7.64 -1.26 -2.41 113.62 128.54 1nf7 n SER 160 Ca 0.08 0.14 -0.00 0.00 1.01 0.00 0.00 58.87 60.10 1nf7 n SER 160 Cb 0.48 -0.07 -0.00 0.00 -1.01 0.00 0.00 64.21 63.61 1nf7 n SER 160 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1nf7 n ARG 161 N -3.29 -0.01 0.02 1.43 5.12 -1.26 -1.34 116.66 117.32 1nf7 n ARG 161 Ca 0.03 0.35 -0.03 0.00 -1.93 0.00 0.00 57.85 56.26 1nf7 n ARG 161 Cb 0.10 -0.52 -0.02 0.00 -1.16 0.00 0.00 32.46 30.86 1nf7 n ARG 161 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1nf7 h ASP 162 N 0.00 -0.34 -0.39 0.55 3.32 -1.83 -2.80 116.42 114.93 1nf7 h ASP 162 Ca 0.00 0.04 0.14 0.00 0.02 0.00 0.00 57.03 57.23 1nf7 h ASP 162 Cb 0.01 0.13 -0.07 0.00 0.22 0.00 0.00 39.33 39.62 1nf7 h ASP 162 CO -0.02 -0.11 0.14 -0.38 -1.72 0.00 0.00 179.24 177.14 1nf7 n ILE 163 N -3.10 -0.16 0.00 0.35 5.41 -0.45 -2.33 119.36 119.08 1nf7 n ILE 163 Ca -0.02 0.81 0.00 0.00 1.00 0.00 0.00 62.75 64.54 1nf7 n ILE 163 Cb 0.08 -1.27 0.00 0.00 -0.71 0.00 0.00 39.64 37.74 1nf7 n ILE 163 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1nf7 n ASP 164 N -4.05 0.00 -3.59 4.38 8.00 -1.06 -4.96 116.55 115.27 1nf7 n ASP 164 Ca 0.13 0.28 -0.24 0.00 0.71 0.00 0.00 54.79 55.67 1nf7 n ASP 164 Cb 0.43 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.70 1nf7 n ASP 164 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1nf7 n PHE 165 N -0.29 -3.98 -3.20 1.24 3.72 -0.98 -5.04 117.46 108.92 1nf7 n PHE 165 Ca 0.00 -0.99 -0.19 0.00 -0.05 0.00 0.00 57.45 56.22 1nf7 n PHE 165 Cb 0.00 -0.85 0.02 0.00 -0.94 0.00 0.00 39.48 37.71 1nf7 n PHE 165 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1nf7 n LEU 166 N 0.00 -5.34 0.00 4.37 4.77 -1.26 -4.92 117.00 114.61 1nf7 n LEU 166 Ca 0.14 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1nf7 n LEU 166 Cb 0.48 -2.61 0.00 0.00 -2.33 0.00 0.00 43.42 38.96 1nf7 n LEU 166 CO 0.35 -1.11 0.00 1.21 -1.33 0.00 0.00 177.39 176.51 1nf7 n GLU 170 N -0.74 0.00 -1.77 3.23 4.07 -1.26 -4.98 120.64 119.20 1nf7 n GLU 170 Ca -0.02 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 56.89 1nf7 n GLU 170 Cb 0.57 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.86 1nf7 n GLU 170 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 1nf7 s HIS 171 N 0.00 1.45 0.99 4.31 3.76 -1.26 -4.92 115.29 119.63 1nf7 s HIS 171 Ca 0.00 1.60 -0.16 0.00 -0.15 0.00 0.00 55.06 56.34 1nf7 s HIS 171 Cb 0.00 -3.60 -0.05 0.00 1.11 0.00 0.00 32.58 30.04 1nf7 s HIS 171 CO 0.00 -1.10 -0.27 -0.25 -0.85 0.00 0.00 174.74 172.27 1nf7 n ASP 172 N 17.52 -3.74 -4.49 1.40 10.43 -1.26 -4.65 116.55 131.76 1nf7 n ASP 172 Ca 0.43 0.20 -0.44 0.00 2.57 0.00 0.00 54.79 57.55 1nf7 n ASP 172 Cb 0.46 -0.95 -0.09 0.00 1.84 0.00 0.00 41.12 42.39 1nf7 n ASP 172 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1nf7 n PHE 174 N 11.82 -1.85 0.14 0.00 1.16 -1.26 -4.05 117.46 123.42 1nf7 n PHE 174 Ca 0.48 0.97 -0.14 0.00 -1.87 0.00 0.00 57.45 56.89 1nf7 n PHE 174 Cb 0.25 -1.68 -0.08 0.00 -1.61 0.00 0.00 39.48 36.36 1nf7 n PHE 174 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 1nf7 h LEU 175 N -1.18 -0.29 -1.83 5.98 3.38 -1.70 -2.59 115.31 117.08 1nf7 h LEU 175 Ca -0.04 -0.13 0.28 0.00 0.09 0.00 0.00 57.88 58.08 1nf7 h LEU 175 Cb 1.19 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.96 1nf7 h LEU 175 CO 0.02 -0.03 0.71 -0.08 0.09 0.00 0.00 178.44 179.15 1nf7 h GLU 176 N -0.54 0.11 0.10 1.13 4.22 -1.68 0.10 114.58 118.02 1nf7 h GLU 176 Ca -0.03 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.39 1nf7 h GLU 176 Cb 0.40 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1nf7 h GLU 176 CO 0.06 0.07 -0.05 0.93 -2.18 0.00 0.00 179.01 177.84 1nf7 h GLU 177 N 0.12 -0.13 0.00 1.92 4.39 -1.69 -3.23 114.58 115.95 1nf7 h GLU 177 Ca 0.51 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.22 1nf7 h GLU 177 Cb 1.80 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.48 1nf7 h GLU 177 CO -0.08 -0.09 0.00 0.44 -1.16 0.00 0.00 179.01 178.12 1nf7 n ILE 178 N -4.70 0.00 -2.89 3.13 -5.35 -0.84 -3.69 119.36 105.01 1nf7 n ILE 178 Ca -0.02 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.44 1nf7 n ILE 178 Cb 0.05 -0.47 0.01 0.00 -1.74 0.00 0.00 39.64 37.49 1nf7 n ILE 178 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 1nf7 s MET 179 N -2.00 0.85 -1.10 6.28 -1.94 -0.04 -4.79 119.30 116.57 1nf7 s MET 179 Ca 0.00 -0.67 -0.07 0.00 -1.71 0.00 0.00 55.69 53.24 1nf7 s MET 179 Cb 0.00 0.00 0.29 0.00 2.01 0.00 0.00 34.83 37.13 1nf7 s MET 179 CO 0.00 -1.11 1.23 2.41 -0.01 0.00 0.00 175.02 177.54 1nf7 n THR 180 N 3.40 4.79 -2.45 2.05 -1.04 -1.22 -4.52 114.28 115.28 1nf7 n THR 180 Ca 0.14 -5.56 -0.40 0.00 -2.04 0.00 0.00 64.05 56.19 1nf7 n THR 180 Cb 0.58 -2.42 -0.03 0.00 -1.82 0.00 0.00 70.33 66.64 1nf7 n THR 180 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1nf7 s LYS 181 N -1.79 3.16 0.28 -2.82 -0.14 -1.26 -4.95 119.74 112.22 1nf7 s LYS 181 Ca 0.31 -0.29 -0.21 0.00 -1.36 0.00 0.00 55.97 54.42 1nf7 s LYS 181 Cb -0.05 -4.48 -0.14 0.00 -1.68 0.00 0.00 37.83 31.48 1nf7 s LYS 181 CO -0.02 -2.31 0.22 0.54 -0.76 0.00 0.00 175.35 173.03 1nf7 n ARG 182 N 9.23 0.00 -0.34 1.68 1.74 -1.26 -4.47 116.66 123.23 1nf7 n ARG 182 Ca 0.13 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.28 1nf7 n ARG 182 Cb 0.50 -0.87 0.25 0.00 -1.02 0.00 0.00 32.46 31.32 1nf7 n ARG 182 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 1nf7 h GLU 183 N 0.51 0.96 -5.57 5.56 9.09 -2.04 -3.30 114.58 119.79 1nf7 h GLU 183 Ca -0.29 -0.06 -0.22 0.00 0.05 0.00 0.00 59.36 58.84 1nf7 h GLU 183 Cb 1.26 -0.22 -0.03 0.00 -1.65 0.00 0.00 28.75 28.11 1nf7 h GLU 183 CO 0.44 0.63 0.59 -0.51 0.05 0.00 0.00 179.01 180.22 1nf7 s ASP 184 N -5.77 4.76 0.08 3.06 1.11 -1.26 -4.84 116.67 113.80 1nf7 s ASP 184 Ca -0.12 -0.68 -0.18 0.00 0.18 0.00 0.00 52.55 51.75 1nf7 s ASP 184 Cb 0.22 -2.56 0.04 0.00 1.07 0.00 0.00 42.92 41.68 1nf7 s ASP 184 CO 0.81 -3.15 0.42 -0.22 1.18 0.00 0.00 175.17 174.20 1nf7 s LEU 185 N 11.61 0.35 -0.41 1.23 0.20 -1.25 -5.11 118.68 125.31 1nf7 s LEU 185 Ca 0.75 -0.11 -0.27 0.00 0.69 0.00 0.00 54.13 55.19 1nf7 s LEU 185 Cb -0.07 1.82 -0.06 0.00 -0.43 0.00 0.00 46.19 47.45 1nf7 s LEU 185 CO 0.04 -0.75 2.34 0.68 -0.29 0.00 0.00 176.35 178.38 1nf7 s VAL 186 N -3.02 3.01 0.26 1.68 -7.23 -1.26 -4.93 120.40 108.92 1nf7 s VAL 186 Ca -0.02 0.01 0.02 0.00 -1.81 0.00 0.00 61.98 60.18 1nf7 s VAL 186 Cb 0.00 -3.03 -0.04 0.00 0.56 0.00 0.00 36.38 33.87 1nf7 s VAL 186 CO -0.06 -0.03 0.13 -0.69 -0.31 0.00 0.00 175.10 174.14 1nf7 s VAL 187 N 11.04 0.32 0.05 1.32 1.01 -1.26 -4.40 120.40 128.48 1nf7 s VAL 187 Ca 0.98 -2.00 0.03 0.00 0.00 0.00 0.00 61.98 60.99 1nf7 s VAL 187 Cb -0.22 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 1nf7 s VAL 187 CO 0.29 0.00 -0.10 0.00 0.00 0.00 0.00 175.10 175.29 1nf7 s ALA 188 N -3.78 0.75 0.72 5.51 0.00 -0.13 -4.98 121.76 119.85 1nf7 s ALA 188 Ca 0.37 -0.79 -0.11 0.00 0.00 0.00 0.00 51.96 51.43 1nf7 s ALA 188 Cb 0.06 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.19 1nf7 s ALA 188 CO 0.15 0.05 1.07 -1.25 0.00 0.00 0.00 175.76 175.79 1nf7 s PRO 189 N -1.50 2.71 0.38 0.00 0.04 -1.26 -2.72 135.00 132.64 1nf7 s PRO 189 Ca -0.06 0.77 0.13 0.00 0.04 0.00 0.00 61.00 61.88 1nf7 s PRO 189 Cb -0.09 -1.98 0.72 0.00 0.04 0.00 0.00 34.50 33.19 1nf7 s PRO 189 CO 0.01 -1.22 1.30 0.00 0.04 0.00 0.00 177.00 177.13 1nf7 h ALA 190 N -0.80 1.27 0.00 8.56 0.00 -1.77 0.24 119.26 126.77 1nf7 h ALA 190 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1nf7 h ALA 190 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1nf7 h ALA 190 CO 0.59 -0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.98 1nf7 n GLY 191 N -1.27 -0.60 3.49 0.00 0.00 -1.26 -4.86 105.19 100.70 1nf7 n GLY 191 Ca -0.01 -0.10 -0.51 0.00 0.00 0.00 0.00 46.02 45.40 1nf7 n GLY 191 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1nf7 n ILE 192 N -0.90 1.04 -3.69 -0.61 0.13 0.84 -4.99 119.36 111.19 1nf7 n ILE 192 Ca 0.11 -0.26 -0.12 0.00 -1.10 0.00 0.00 62.75 61.38 1nf7 n ILE 192 Cb 0.05 -0.30 -0.07 0.00 -0.84 0.00 0.00 39.64 38.49 1nf7 n ILE 192 CO 0.00 0.00 0.00 -0.89 2.80 0.00 0.00 176.55 178.46 1nf7 s THR 193 N -0.45 0.06 0.60 9.51 2.01 -1.26 -5.03 115.64 121.08 1nf7 s THR 193 Ca 0.75 -0.51 0.30 0.00 0.31 0.00 0.00 61.69 62.54 1nf7 s THR 193 Cb -1.00 -0.94 0.36 0.00 0.01 0.00 0.00 72.50 70.93 1nf7 s THR 193 CO 0.55 -0.28 2.13 -0.07 -0.69 0.00 0.00 174.62 176.26 1nf7 h LEU 194 N 3.07 0.00 0.00 4.42 3.38 -1.96 0.24 115.31 124.46 1nf7 h LEU 194 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1nf7 h LEU 194 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1nf7 h LEU 194 CO 0.44 0.00 0.00 0.29 0.09 0.00 0.00 178.44 179.26 1nf7 n LYS 195 N -3.74 0.00 0.08 1.13 5.02 -1.26 -3.47 118.16 115.92 1nf7 n LYS 195 Ca 0.01 0.31 0.03 0.00 -2.02 0.00 0.00 58.31 56.64 1nf7 n LYS 195 Cb 0.28 -1.22 0.43 0.00 -0.02 0.00 0.00 35.03 34.50 1nf7 n LYS 195 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1nf7 h GLU 196 N 0.00 0.35 0.00 1.97 3.07 -1.93 -3.27 114.58 114.77 1nf7 h GLU 196 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1nf7 h GLU 196 Cb 0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 27.84 1nf7 h GLU 196 CO 0.00 0.33 0.00 0.00 -1.40 0.00 0.00 179.01 177.94 1nf7 n ALA 197 N -2.49 0.00 -0.27 3.43 0.00 0.06 0.49 120.51 121.74 1nf7 n ALA 197 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.43 1nf7 n ALA 197 Cb 0.16 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.62 1nf7 n ALA 197 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1nf7 n ASN 198 N 0.00 -0.49 0.07 0.00 3.02 -1.23 -0.56 115.26 116.09 1nf7 n ASN 198 Ca 0.00 1.20 -0.12 0.00 -0.03 0.00 0.00 54.58 55.63 1nf7 n ASN 198 Cb 0.00 -0.26 -0.07 0.00 -0.61 0.00 0.00 39.78 38.84 1nf7 n ASN 198 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1nf7 h GLU 199 N 0.00 -0.52 -1.04 3.52 4.81 -1.59 -0.46 114.58 119.30 1nf7 h GLU 199 Ca 0.22 0.04 0.28 0.00 -0.13 0.00 0.00 59.36 59.77 1nf7 h GLU 199 Cb 0.39 0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.82 1nf7 h GLU 199 CO -0.67 -0.35 0.71 0.82 -0.73 0.00 0.00 179.01 178.79 1nf7 h ILE 200 N -0.54 0.51 -0.04 2.32 2.04 0.26 0.49 117.51 122.55 1nf7 h ILE 200 Ca -0.00 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.80 1nf7 h ILE 200 Cb 0.55 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1nf7 h ILE 200 CO -0.22 0.04 0.04 -0.07 0.00 0.00 0.00 178.15 177.94 1nf7 h LEU 201 N 0.19 0.00 -0.05 1.44 -0.00 0.55 -1.99 115.31 115.45 1nf7 h LEU 201 Ca 0.54 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.42 1nf7 h LEU 201 Cb 1.75 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.41 1nf7 h LEU 201 CO -0.14 0.00 0.03 1.56 -0.00 0.00 0.00 178.44 179.89 1nf7 h GLN 202 N 0.00 0.08 -0.61 1.13 4.20 0.20 0.63 115.11 120.73 1nf7 h GLN 202 Ca 0.02 -0.01 0.12 0.00 0.06 0.00 0.00 58.65 58.84 1nf7 h GLN 202 Cb 0.11 -0.01 -0.10 0.00 0.30 0.00 0.00 27.48 27.77 1nf7 h GLN 202 CO -0.00 0.16 0.02 0.00 -0.67 0.00 0.00 178.83 178.34 1nf7 h ARG 203 N -0.03 0.13 -0.02 1.46 -0.00 -1.47 0.83 114.38 115.29 1nf7 h ARG 203 Ca 0.02 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.49 1nf7 h ARG 203 Cb 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.05 1nf7 h ARG 203 CO -0.00 0.09 0.00 -1.13 0.00 0.00 0.00 179.97 178.93 1nf7 n SER 204 N -5.25 0.84 -2.25 7.04 3.41 -1.08 -4.89 113.62 111.44 1nf7 n SER 204 Ca 0.09 -1.30 -0.04 0.00 -0.26 0.00 0.00 58.87 57.36 1nf7 n SER 204 Cb 0.35 -0.01 -0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1nf7 n SER 204 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1nf7 n LYS 205 N -0.33 -2.48 -2.39 4.33 4.76 0.29 -4.90 118.16 117.44 1nf7 n LYS 205 Ca 0.21 0.19 -0.13 0.00 -2.87 0.00 0.00 58.31 55.71 1nf7 n LYS 205 Cb 0.24 -4.64 0.04 0.00 -1.84 0.00 0.00 35.03 28.83 1nf7 n LYS 205 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1nf7 n LYS 206 N -2.37 0.78 -0.24 1.97 3.00 -0.37 -4.98 118.16 115.93 1nf7 n LYS 206 Ca -0.04 -2.06 0.02 0.00 -0.00 0.00 0.00 58.31 56.24 1nf7 n LYS 206 Cb 0.47 -0.10 0.03 0.00 0.00 0.00 0.00 35.03 35.43 1nf7 n LYS 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1nf7 n GLY 207 N 0.46 1.14 2.72 3.14 0.00 -1.26 -4.62 105.19 106.76 1nf7 n GLY 207 Ca 0.09 -0.28 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 1nf7 n GLY 207 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1nf7 n LYS 208 N -0.40 0.74 -1.86 1.61 0.00 -1.26 -1.46 118.16 115.52 1nf7 n LYS 208 Ca 0.04 -1.57 -0.41 0.00 -0.00 0.00 0.00 58.31 56.37 1nf7 n LYS 208 Cb 0.60 -0.90 -0.01 0.00 -0.00 0.00 0.00 35.03 34.72 1nf7 n LYS 208 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1nf7 s LEU 209 N -1.57 4.34 0.38 -5.58 2.34 -1.17 -4.74 118.68 112.69 1nf7 s LEU 209 Ca 0.24 2.97 -0.19 0.00 0.06 0.00 0.00 54.13 57.21 1nf7 s LEU 209 Cb 0.27 -3.66 -0.10 0.00 -0.56 0.00 0.00 46.19 42.14 1nf7 s LEU 209 CO -0.12 -0.82 0.87 -2.16 -1.06 0.00 0.00 176.35 173.06 1nf7 s PRO 210 N -1.84 4.18 0.02 1.48 0.04 -1.26 -2.09 135.00 135.53 1nf7 s PRO 210 Ca 0.53 0.98 0.05 0.00 0.04 0.00 0.00 61.00 62.60 1nf7 s PRO 210 Cb -0.45 -2.33 -0.02 0.00 0.04 0.00 0.00 34.50 31.74 1nf7 s PRO 210 CO 0.59 0.07 -0.14 0.42 0.04 0.00 0.00 177.00 177.98 1nf7 s ILE 211 N -2.05 1.13 0.03 0.56 1.09 -0.01 -0.96 121.20 120.99 1nf7 s ILE 211 Ca 0.58 -0.81 -0.02 0.00 -1.10 0.00 0.00 60.65 59.30 1nf7 s ILE 211 Cb -0.10 -0.98 -0.02 0.00 -1.06 0.00 0.00 42.46 40.29 1nf7 s ILE 211 CO 0.15 0.16 0.02 0.68 -0.10 0.00 0.00 174.94 175.86 1nf7 s VAL 212 N -0.59 0.13 0.00 2.92 -7.23 -1.10 -2.61 120.40 111.92 1nf7 s VAL 212 Ca 0.04 -1.07 0.00 0.00 -1.81 0.00 0.00 61.98 59.14 1nf7 s VAL 212 Cb -0.07 -0.63 0.00 0.00 0.56 0.00 0.00 36.38 36.24 1nf7 s VAL 212 CO 0.00 -0.59 0.25 -0.46 -0.31 0.00 0.00 175.10 173.99 1nf7 n ASN 213 N 1.15 0.00 0.00 4.85 6.94 -1.26 -3.38 115.26 123.56 1nf7 n ASN 213 Ca -0.21 0.25 0.00 0.00 -0.02 0.00 0.00 54.58 54.60 1nf7 n ASN 213 Cb 0.57 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.99 1nf7 n ASN 213 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1nf7 n GLU 214 N -0.46 0.00 -2.02 -3.83 -0.58 -1.26 -4.44 120.64 108.05 1nf7 n GLU 214 Ca 0.00 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.35 1nf7 n GLU 214 Cb 0.00 -0.28 -0.01 0.00 -0.57 0.00 0.00 31.44 30.59 1nf7 n GLU 214 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1nf7 n ASP 215 N -1.33 7.84 -1.93 1.62 8.00 -1.26 -4.86 116.55 124.62 1nf7 n ASP 215 Ca 0.00 -3.21 0.00 0.00 0.71 0.00 0.00 54.79 52.29 1nf7 n ASP 215 Cb 0.00 -1.33 0.00 0.00 -0.02 0.00 0.00 41.12 39.77 1nf7 n ASP 215 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1nf7 n ASP 216 N 1.43 0.00 -3.78 -2.24 10.43 -1.26 -4.78 116.55 116.35 1nf7 n ASP 216 Ca 0.60 0.00 -0.30 0.00 2.57 0.00 0.00 54.79 57.66 1nf7 n ASP 216 Cb 0.27 0.00 -0.13 0.00 1.84 0.00 0.00 41.12 43.10 1nf7 n ASP 216 CO 0.00 0.00 0.00 -1.83 -1.07 0.00 0.00 177.20 174.30 1nf7 s GLU 217 N -2.21 1.42 -0.16 -1.24 -1.05 -1.26 -5.07 118.70 109.13 1nf7 s GLU 217 Ca 0.00 -2.10 -0.12 0.00 -0.15 0.00 0.00 54.97 52.60 1nf7 s GLU 217 Cb 0.00 -2.57 -0.05 0.00 -0.44 0.00 0.00 34.13 31.06 1nf7 s GLU 217 CO 0.00 -1.13 0.63 -0.11 0.95 0.00 0.00 175.26 175.59 1nf7 n LEU 218 N 3.53 0.19 0.03 1.83 -0.00 -1.26 -4.54 117.00 116.79 1nf7 n LEU 218 Ca 0.07 0.17 -0.10 0.00 -0.00 0.00 0.00 56.01 56.15 1nf7 n LEU 218 Cb 0.34 -0.26 -0.13 0.00 -0.00 0.00 0.00 43.42 43.38 1nf7 n LEU 218 CO 0.26 -0.22 -0.21 0.58 -0.00 0.00 0.00 177.39 177.80 1nf7 h VAL 219 N 2.02 1.27 -1.43 1.96 2.07 -1.86 -3.49 116.25 116.79 1nf7 h VAL 219 Ca -0.03 -3.01 0.33 0.00 0.82 0.00 0.00 66.70 64.80 1nf7 h VAL 219 Cb 0.40 2.68 -0.12 0.00 -1.52 0.00 0.00 31.29 32.72 1nf7 h VAL 219 CO 0.32 0.77 0.83 0.00 0.02 0.00 0.00 177.57 179.51 1nf7 s ALA 220 N -2.65 -2.24 -0.06 1.67 0.00 -1.20 -5.07 121.76 112.21 1nf7 s ALA 220 Ca -0.04 0.75 -0.01 0.00 0.00 0.00 0.00 51.96 52.67 1nf7 s ALA 220 Cb 0.08 0.33 0.03 0.00 0.00 0.00 0.00 23.12 23.56 1nf7 s ALA 220 CO 0.83 -1.03 -0.02 0.42 0.00 0.00 0.00 175.76 175.96 1nf7 s ILE 221 N -2.41 0.45 0.42 0.00 1.09 -1.26 -0.83 121.20 118.65 1nf7 s ILE 221 Ca 0.14 0.03 -0.22 0.00 -1.10 0.00 0.00 60.65 59.50 1nf7 s ILE 221 Cb 0.05 -0.56 -0.10 0.00 -1.06 0.00 0.00 42.46 40.79 1nf7 s ILE 221 CO -0.04 0.25 0.99 -0.63 -0.10 0.00 0.00 174.94 175.41 1nf7 s ILE 222 N 1.63 4.08 0.00 2.92 -1.09 -0.89 -1.26 121.20 126.60 1nf7 s ILE 222 Ca 0.00 1.43 -0.01 0.00 -2.23 0.00 0.00 60.65 59.84 1nf7 s ILE 222 Cb -0.13 -3.66 -0.01 0.00 -1.58 0.00 0.00 42.46 37.09 1nf7 s ILE 222 CO -0.04 -0.15 0.00 0.00 -1.23 0.00 0.00 174.94 173.53 1nf7 s ALA 223 N -1.92 0.01 -0.04 9.38 0.00 -1.21 -3.03 121.76 124.94 1nf7 s ALA 223 Ca 0.60 -0.19 -0.26 0.00 0.00 0.00 0.00 51.96 52.11 1nf7 s ALA 223 Cb -0.15 0.04 -0.21 0.00 0.00 0.00 0.00 23.12 22.80 1nf7 s ALA 223 CO 0.20 -0.07 1.18 0.00 0.00 0.00 0.00 175.76 177.06 1nf7 h ARG 224 N 5.52 0.01 -6.05 0.00 3.08 -1.57 -3.46 114.38 111.91 1nf7 h ARG 224 Ca -0.27 -0.01 -0.53 0.00 0.07 0.00 0.00 59.98 59.24 1nf7 h ARG 224 Cb 1.21 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.24 1nf7 h ARG 224 CO 0.46 0.59 1.37 -0.08 -1.07 0.00 0.00 179.97 181.24 1nf7 s THR 225 N -3.88 3.34 0.06 2.04 -1.32 -1.26 -4.65 115.64 109.98 1nf7 s THR 225 Ca -0.16 0.29 0.00 0.00 -1.21 0.00 0.00 61.69 60.60 1nf7 s THR 225 Cb 0.01 -3.63 0.00 0.00 -1.51 0.00 0.00 72.50 67.37 1nf7 s THR 225 CO 0.68 -0.52 0.00 0.18 -2.21 0.00 0.00 174.62 172.75 1nf7 n LEU 227 N 12.07 -0.01 -0.46 9.08 4.77 -1.26 -5.00 117.00 136.19 1nf7 n LEU 227 Ca 0.24 0.11 0.04 0.00 -0.03 0.00 0.00 56.01 56.37 1nf7 n LEU 227 Cb 0.50 0.08 0.09 0.00 -2.33 0.00 0.00 43.42 41.76 1nf7 n LEU 227 CO 0.70 -0.53 0.53 0.29 -1.33 0.00 0.00 177.39 177.04 1nf7 n LYS 228 N -2.76 1.93 0.00 3.23 5.02 -1.26 -4.67 118.16 119.65 1nf7 n LYS 228 Ca 0.00 -1.61 0.00 0.00 -2.02 0.00 0.00 58.31 54.68 1nf7 n LYS 228 Cb 0.04 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1nf7 n LYS 228 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1nf7 n LYS 229 N 0.38 0.00 -1.40 1.97 2.85 -1.26 -5.15 118.16 115.56 1nf7 n LYS 229 Ca 0.08 0.00 -0.49 0.00 -1.05 0.00 0.00 58.31 56.85 1nf7 n LYS 229 Cb 0.33 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.67 1nf7 n LYS 229 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1nf7 n ASN 230 N 0.00 -1.07 -2.58 -5.58 6.94 -1.26 -4.96 115.26 106.75 1nf7 n ASN 230 Ca 0.00 1.12 0.00 0.00 -0.02 0.00 0.00 54.58 55.68 1nf7 n ASN 230 Cb 0.00 -0.94 0.00 0.00 -2.36 0.00 0.00 39.78 36.48 1nf7 n ASN 230 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1nf7 n ARG 231 N 1.06 0.50 -4.86 -3.83 1.74 -1.26 -4.92 116.66 105.08 1nf7 n ARG 231 Ca 0.18 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.99 1nf7 n ARG 231 Cb 0.23 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.50 1nf7 n ARG 231 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1nf7 s ASP 232 N -1.04 2.28 -0.74 0.55 2.15 -1.26 -5.08 116.67 113.52 1nf7 s ASP 232 Ca 0.00 -0.39 0.00 0.00 0.43 0.00 0.00 52.55 52.59 1nf7 s ASP 232 Cb 0.00 -0.87 0.18 0.00 -0.30 0.00 0.00 42.92 41.93 1nf7 s ASP 232 CO 0.00 0.12 0.57 -0.31 -0.17 0.00 0.00 175.17 175.38 1nf7 s TYR 233 N 0.31 3.62 0.36 -5.34 1.51 -1.26 -4.93 117.35 111.63 1nf7 s TYR 233 Ca -0.11 -3.04 0.34 0.00 -1.01 0.00 0.00 57.07 53.25 1nf7 s TYR 233 Cb -0.15 -3.06 1.68 0.00 -0.11 0.00 0.00 41.96 40.32 1nf7 s TYR 233 CO 0.04 -0.72 2.12 -1.00 -1.11 0.00 0.00 175.55 174.88 1nf7 h PRO 234 N 6.17 0.00 -0.01 -1.71 0.13 -1.98 -2.97 132.00 131.62 1nf7 h PRO 234 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1nf7 h PRO 234 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1nf7 h PRO 234 CO 0.77 0.05 -0.55 1.28 -0.23 0.00 0.00 178.00 179.31 1nf7 n LEU 235 N -3.28 1.80 -3.09 1.56 4.77 -1.26 -5.02 117.00 112.48 1nf7 n LEU 235 Ca -0.01 -0.71 -0.37 0.00 -0.03 0.00 0.00 56.01 54.88 1nf7 n LEU 235 Cb 0.22 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.28 1nf7 n LEU 235 CO 0.26 0.35 0.19 0.00 -1.33 0.00 0.00 177.39 176.86 1nf7 n ALA 236 N -0.30 -2.49 -2.59 -1.18 0.00 -1.13 -4.30 120.51 108.53 1nf7 n ALA 236 Ca 0.08 0.36 -0.43 0.00 0.00 0.00 0.00 53.44 53.45 1nf7 n ALA 236 Cb 0.43 -1.17 -0.08 0.00 0.00 0.00 0.00 19.45 18.63 1nf7 n ALA 236 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1nf7 s SER 237 N -0.36 6.21 0.29 0.00 0.01 -0.08 -4.93 113.70 114.84 1nf7 s SER 237 Ca 0.54 -0.76 0.04 0.00 1.31 0.00 0.00 55.95 57.08 1nf7 s SER 237 Cb -0.76 -2.24 -0.06 0.00 0.21 0.00 0.00 66.02 63.17 1nf7 s SER 237 CO 0.39 -0.68 0.02 -0.54 0.41 0.00 0.00 173.24 172.85 1nf7 s LYS 238 N 2.26 1.54 0.00 12.44 1.02 -1.26 -0.29 119.74 135.45 1nf7 s LYS 238 Ca 0.13 -1.82 0.00 0.00 0.02 0.00 0.00 55.97 54.30 1nf7 s LYS 238 Cb -0.18 -0.83 0.00 0.00 -0.52 0.00 0.00 37.83 36.30 1nf7 s LYS 238 CO 0.13 -0.12 0.00 -0.40 -0.92 0.00 0.00 175.35 174.04 1nf7 n ASP 239 N -0.58 0.00 -0.16 2.83 5.68 0.17 -4.74 116.55 119.75 1nf7 n ASP 239 Ca -0.04 -0.66 -0.07 0.00 -0.50 0.00 0.00 54.79 53.52 1nf7 n ASP 239 Cb 0.65 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.65 1nf7 n ASP 239 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1nf7 h ALA 240 N -0.29 0.61 0.00 2.12 0.00 -2.00 -1.65 119.26 118.04 1nf7 h ALA 240 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1nf7 h ALA 240 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1nf7 h ALA 240 CO 0.00 0.07 0.00 1.63 0.00 0.00 0.00 179.25 180.95 1nf7 n LYS 241 N -4.74 0.69 -1.34 0.00 4.76 -1.26 -4.77 118.16 111.50 1nf7 n LYS 241 Ca 0.02 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.33 1nf7 n LYS 241 Cb 0.03 -1.33 -0.05 0.00 -1.84 0.00 0.00 35.03 31.84 1nf7 n LYS 241 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1nf7 n LYS 242 N 0.21 -1.63 -3.66 1.97 5.02 -0.62 -4.97 118.16 114.48 1nf7 n LYS 242 Ca 0.00 0.91 -0.32 0.00 -2.02 0.00 0.00 58.31 56.88 1nf7 n LYS 242 Cb 0.19 -5.27 -0.05 0.00 -0.02 0.00 0.00 35.03 29.88 1nf7 n LYS 242 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1nf7 s GLN 243 N -3.02 3.64 0.54 1.97 -2.07 -1.26 -4.77 119.66 114.69 1nf7 s GLN 243 Ca 0.00 -0.05 -0.21 0.00 -1.82 0.00 0.00 55.36 53.28 1nf7 s GLN 243 Cb 0.00 -2.87 -0.06 0.00 -1.09 0.00 0.00 33.01 28.99 1nf7 s GLN 243 CO 0.00 0.48 1.13 1.28 -1.32 0.00 0.00 175.29 176.87 1nf7 n LEU 244 N 0.23 4.19 -4.80 2.60 4.77 -1.26 0.45 117.00 123.18 1nf7 n LEU 244 Ca -0.03 0.92 -0.33 0.00 -0.03 0.00 0.00 56.01 56.54 1nf7 n LEU 244 Cb 0.52 -1.46 0.01 0.00 -2.33 0.00 0.00 43.42 40.16 1nf7 n LEU 244 CO 0.47 -1.26 0.72 -0.76 -1.33 0.00 0.00 177.39 175.23 1nf7 s LEU 245 N -2.26 3.50 -0.19 2.23 1.43 0.60 -4.63 118.68 119.35 1nf7 s LEU 245 Ca 0.71 1.83 -0.10 0.00 -1.03 0.00 0.00 54.13 55.54 1nf7 s LEU 245 Cb -0.45 -4.53 0.07 0.00 0.03 0.00 0.00 46.19 41.31 1nf7 s LEU 245 CO 0.50 -1.18 0.46 0.00 0.23 0.00 0.00 176.35 176.37 1nf7 s GLY 247 N 1.65 2.14 -0.27 0.00 0.00 -0.19 -1.13 107.32 109.52 1nf7 s GLY 247 Ca -0.08 -1.90 -0.25 0.00 0.00 0.00 0.00 44.72 42.49 1nf7 s GLY 247 CO -0.14 -1.72 0.72 0.00 0.00 0.00 0.00 173.10 171.96 1nf7 s ALA 248 N -2.48 -1.79 -0.01 3.20 0.00 -0.35 -2.40 121.76 117.94 1nf7 s ALA 248 Ca 0.47 2.05 -0.02 0.00 0.00 0.00 0.00 51.96 54.46 1nf7 s ALA 248 Cb -0.03 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 1nf7 s ALA 248 CO 0.27 -0.34 0.14 0.00 0.00 0.00 0.00 175.76 175.83 1nf7 s ALA 249 N 0.44 3.81 0.06 0.00 0.00 -1.03 -1.28 121.76 123.75 1nf7 s ALA 249 Ca -0.00 -0.80 -0.04 0.00 0.00 0.00 0.00 51.96 51.11 1nf7 s ALA 249 Cb -0.05 -1.77 -0.02 0.00 0.00 0.00 0.00 23.12 21.28 1nf7 s ALA 249 CO -0.00 0.72 0.06 0.96 0.00 0.00 0.00 175.76 177.50 1nf7 s ILE 250 N -1.26 0.17 0.56 0.00 -4.36 -0.79 -4.25 121.20 111.28 1nf7 s ILE 250 Ca 0.25 -1.43 -0.09 0.00 -0.26 0.00 0.00 60.65 59.12 1nf7 s ILE 250 Cb -0.12 -1.27 0.13 0.00 1.25 0.00 0.00 42.46 42.44 1nf7 s ILE 250 CO 0.16 -0.79 0.76 0.61 0.24 0.00 0.00 174.94 175.92 1nf7 n GLY 251 N 0.28 -1.24 0.21 6.27 0.00 -1.26 -1.86 105.19 107.59 1nf7 n GLY 251 Ca -0.16 -1.71 0.02 0.00 0.00 0.00 0.00 46.02 44.17 1nf7 n GLY 251 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nf7 n THR 252 N -3.02 0.64 -2.24 2.61 -2.24 -1.26 -4.82 114.28 103.96 1nf7 n THR 252 Ca 0.10 -0.82 -0.33 0.00 -2.27 0.00 0.00 64.05 60.73 1nf7 n THR 252 Cb 0.34 0.71 -0.01 0.00 -2.10 0.00 0.00 70.33 69.26 1nf7 n THR 252 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1nf7 s HIS 253 N -0.77 3.13 0.18 4.78 5.65 -1.26 -4.77 115.29 122.23 1nf7 s HIS 253 Ca 0.07 1.51 -0.26 0.00 0.25 0.00 0.00 55.06 56.64 1nf7 s HIS 253 Cb 0.04 -2.95 0.04 0.00 -1.18 0.00 0.00 32.58 28.53 1nf7 s HIS 253 CO 0.06 -0.84 1.56 1.49 -0.65 0.00 0.00 174.74 176.35 1nf7 h GLU 254 N 0.77 -0.13 -0.00 2.88 4.22 -1.99 0.14 114.58 120.47 1nf7 h GLU 254 Ca -0.47 0.01 0.00 0.00 0.08 0.00 0.00 59.36 58.98 1nf7 h GLU 254 Cb 1.21 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1nf7 h GLU 254 CO 0.59 -0.09 0.00 -0.25 -2.18 0.00 0.00 179.01 177.08 1nf7 n ASP 255 N -5.38 0.00 -0.00 1.04 9.92 -1.26 -1.45 116.55 119.41 1nf7 n ASP 255 Ca 0.03 -0.02 0.10 0.00 -0.53 0.00 0.00 54.79 54.37 1nf7 n ASP 255 Cb 0.34 -0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.68 1nf7 n ASP 255 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1nf7 n ASP 256 N -0.26 0.61 0.02 -2.24 8.00 0.04 -4.21 116.55 118.50 1nf7 n ASP 256 Ca 0.00 -0.53 -0.02 0.00 0.71 0.00 0.00 54.79 54.95 1nf7 n ASP 256 Cb 0.00 1.44 0.25 0.00 -0.02 0.00 0.00 41.12 42.79 1nf7 n ASP 256 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1nf7 h LYS 257 N 0.00 0.47 -0.12 -1.24 1.57 -1.42 -0.45 116.57 115.38 1nf7 h LYS 257 Ca 0.00 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.58 1nf7 h LYS 257 Cb 0.70 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 1nf7 h LYS 257 CO 0.00 0.62 -0.16 -0.92 -0.57 0.00 0.00 179.45 178.42 1nf7 h TYR 258 N 0.43 0.39 -0.27 -1.35 3.20 -1.80 -2.78 116.97 114.80 1nf7 h TYR 258 Ca 0.08 -0.13 0.06 0.00 3.14 0.00 0.00 58.73 61.88 1nf7 h TYR 258 Cb 0.53 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.66 1nf7 h TYR 258 CO 0.02 0.76 -0.13 -0.09 -1.64 0.00 0.00 178.16 177.08 1nf7 h ARG 259 N -0.09 -0.09 -0.73 1.82 2.43 -1.68 -0.23 114.38 115.82 1nf7 h ARG 259 Ca 0.01 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.33 1nf7 h ARG 259 Cb 0.72 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 30.19 1nf7 h ARG 259 CO 0.04 -0.06 0.26 1.25 -1.51 0.00 0.00 179.97 179.95 1nf7 h LEU 260 N -0.09 0.21 -0.14 3.80 5.85 -1.09 -2.34 115.31 121.52 1nf7 h LEU 260 Ca 0.14 0.11 0.04 0.00 0.84 0.00 0.00 57.88 59.02 1nf7 h LEU 260 Cb 0.30 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 1nf7 h LEU 260 CO -0.32 0.08 -0.16 0.44 -0.34 0.00 0.00 178.44 178.13 1nf7 h ASP 261 N 0.40 -0.51 -0.77 1.25 5.19 -0.76 0.25 116.42 121.47 1nf7 h ASP 261 Ca 0.40 0.09 0.09 0.00 -0.62 0.00 0.00 57.03 56.99 1nf7 h ASP 261 Cb 0.61 0.24 -0.07 0.00 0.18 0.00 0.00 39.33 40.29 1nf7 h ASP 261 CO -0.41 -0.21 0.42 -0.07 -3.12 0.00 0.00 179.24 175.85 1nf7 h LEU 262 N -0.20 0.59 -0.03 1.55 3.38 -0.90 -0.92 115.31 118.78 1nf7 h LEU 262 Ca 0.10 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1nf7 h LEU 262 Cb 0.34 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1nf7 h LEU 262 CO -0.26 0.34 0.02 -0.07 0.09 0.00 0.00 178.44 178.56 1nf7 h LEU 263 N 0.71 0.04 -0.83 1.67 3.38 -0.82 -1.95 115.31 117.51 1nf7 h LEU 263 Ca 0.37 -0.10 0.16 0.00 0.09 0.00 0.00 57.88 58.40 1nf7 h LEU 263 Cb 0.36 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.00 1nf7 h LEU 263 CO -0.25 0.13 0.40 0.00 0.09 0.00 0.00 178.44 178.80 1nf7 h ALA 264 N 0.92 1.25 0.16 1.53 0.00 0.03 -1.15 119.26 122.01 1nf7 h ALA 264 Ca 0.01 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1nf7 h ALA 264 Cb 0.10 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1nf7 h ALA 264 CO -0.00 -0.16 -0.08 1.96 0.00 0.00 0.00 179.25 180.97 1nf7 h GLN 265 N 0.55 -0.21 0.00 0.00 1.08 -0.82 -2.35 115.11 113.35 1nf7 h GLN 265 Ca 0.47 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.68 1nf7 h GLN 265 Cb 0.71 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.19 1nf7 h GLN 265 CO -0.40 -0.13 0.00 0.00 -0.95 0.00 0.00 178.83 177.35 1nf7 n ALA 266 N -2.19 1.37 -1.75 3.87 0.00 -0.45 -4.78 120.51 116.57 1nf7 n ALA 266 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1nf7 n ALA 266 Cb 0.12 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1nf7 n ALA 266 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nf7 n GLY 267 N -1.02 0.68 3.77 0.00 0.00 -0.88 -3.98 105.19 103.75 1nf7 n GLY 267 Ca 0.00 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 1nf7 n GLY 267 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nf7 s VAL 268 N -2.13 2.55 -0.15 1.61 0.11 -1.14 -4.85 120.40 116.40 1nf7 s VAL 268 Ca 0.00 0.51 -0.09 0.00 -2.93 0.00 0.00 61.98 59.47 1nf7 s VAL 268 Cb 0.00 -3.31 -0.24 0.00 -1.53 0.00 0.00 36.38 31.30 1nf7 s VAL 268 CO 0.00 0.09 0.29 0.47 -3.33 0.00 0.00 175.10 172.62 1nf7 n ASP 269 N 0.26 2.07 -3.92 3.54 10.43 -0.29 -4.90 116.55 123.75 1nf7 n ASP 269 Ca 0.03 0.23 -0.10 0.00 2.57 0.00 0.00 54.79 57.51 1nf7 n ASP 269 Cb 0.43 -0.86 -0.11 0.00 1.84 0.00 0.00 41.12 42.42 1nf7 n ASP 269 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 1nf7 s VAL 270 N -2.52 0.09 0.03 2.53 -7.23 -1.21 -3.34 120.40 108.75 1nf7 s VAL 270 Ca -0.25 -0.71 0.06 0.00 -1.81 0.00 0.00 61.98 59.27 1nf7 s VAL 270 Cb 0.07 -0.32 -0.02 0.00 0.56 0.00 0.00 36.38 36.66 1nf7 s VAL 270 CO 0.72 -0.39 -0.17 0.68 -0.31 0.00 0.00 175.10 175.63 1nf7 s VAL 271 N -1.26 1.37 -0.06 1.32 -7.23 -0.94 -1.21 120.40 112.40 1nf7 s VAL 271 Ca -0.14 -1.01 0.06 0.00 -1.81 0.00 0.00 61.98 59.08 1nf7 s VAL 271 Cb -0.08 -1.19 -0.01 0.00 0.56 0.00 0.00 36.38 35.66 1nf7 s VAL 271 CO 0.00 0.16 -0.25 0.54 -0.31 0.00 0.00 175.10 175.24 1nf7 s VAL 272 N -0.73 2.02 -0.12 1.32 0.11 -0.41 -0.74 120.40 121.85 1nf7 s VAL 272 Ca 0.05 -1.05 -0.28 0.00 -2.93 0.00 0.00 61.98 57.77 1nf7 s VAL 272 Cb -0.08 -1.71 -0.01 0.00 -1.53 0.00 0.00 36.38 33.05 1nf7 s VAL 272 CO 0.01 0.56 0.93 -0.76 -3.33 0.00 0.00 175.10 172.51 1nf7 s LEU 273 N -0.16 4.23 -0.58 2.54 1.43 -1.00 -1.89 118.68 123.25 1nf7 s LEU 273 Ca -0.03 1.39 -0.21 0.00 -1.03 0.00 0.00 54.13 54.24 1nf7 s LEU 273 Cb -0.14 -3.42 0.06 0.00 0.03 0.00 0.00 46.19 42.73 1nf7 s LEU 273 CO 0.04 -0.41 0.82 -1.81 0.23 0.00 0.00 176.35 175.22 1nf7 s ASP 274 N 1.10 6.23 -0.03 2.29 -0.00 -0.78 -3.99 116.67 121.49 1nf7 s ASP 274 Ca 0.44 -0.87 -0.23 0.00 -0.00 0.00 0.00 52.55 51.89 1nf7 s ASP 274 Cb -0.18 -2.37 0.05 0.00 -0.00 0.00 0.00 42.92 40.42 1nf7 s ASP 274 CO 0.16 -1.18 0.50 -0.55 -0.00 0.00 0.00 175.17 174.10 1nf7 s SER 275 N 3.17 -0.43 0.02 0.27 0.15 -1.26 -4.74 113.70 110.88 1nf7 s SER 275 Ca 0.21 0.40 -0.17 0.00 0.70 0.00 0.00 55.95 57.09 1nf7 s SER 275 Cb -0.18 0.43 -0.30 0.00 -1.71 0.00 0.00 66.02 64.27 1nf7 s SER 275 CO 0.12 -0.54 1.05 0.77 1.20 0.00 0.00 173.24 175.84 1nf7 h SER 276 N 3.39 0.75 -3.80 5.45 4.64 -1.95 -3.08 113.55 118.96 1nf7 h SER 276 Ca -0.28 -0.85 -0.63 0.00 -0.47 0.00 0.00 61.79 59.55 1nf7 h SER 276 Cb 1.16 -0.24 -0.40 0.00 -0.31 0.00 0.00 62.40 62.61 1nf7 h SER 276 CO 0.40 1.53 -0.70 -1.58 -0.87 0.00 0.00 176.83 175.61 1nf7 s GLN 277 N -2.86 1.49 0.00 4.77 -0.44 -1.26 -4.61 119.66 116.76 1nf7 s GLN 277 Ca -0.11 -2.03 0.11 0.00 -2.50 0.00 0.00 55.36 50.83 1nf7 s GLN 277 Cb 0.04 -2.90 0.56 0.00 -1.64 0.00 0.00 33.01 29.07 1nf7 s GLN 277 CO 0.90 -1.05 1.37 0.41 0.50 0.00 0.00 175.29 177.43 1nf7 n GLY 278 N 3.82 -0.73 2.76 2.59 0.00 -0.84 -4.42 105.19 108.37 1nf7 n GLY 278 Ca 0.04 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1nf7 n GLY 278 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1nf7 n ASN 279 N -0.45 6.94 -4.33 1.61 5.15 -1.26 -4.63 115.26 118.29 1nf7 n ASN 279 Ca 0.08 -3.47 -0.22 0.00 -0.60 0.00 0.00 54.58 50.38 1nf7 n ASN 279 Cb 0.08 -1.26 -0.11 0.00 -0.53 0.00 0.00 39.78 37.96 1nf7 n ASN 279 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1nf7 s SER 280 N -1.04 2.67 0.53 1.20 1.04 -1.26 -5.01 113.70 111.83 1nf7 s SER 280 Ca 0.39 -0.85 0.22 0.00 0.48 0.00 0.00 55.95 56.18 1nf7 s SER 280 Cb 0.13 -0.16 1.38 0.00 0.10 0.00 0.00 66.02 67.48 1nf7 s SER 280 CO -0.03 -0.03 2.07 -0.29 0.98 0.00 0.00 173.24 175.93 1nf7 h ILE 281 N 3.30 0.81 0.06 -1.02 6.09 -1.99 -1.96 117.51 122.80 1nf7 h ILE 281 Ca -0.42 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.06 1nf7 h ILE 281 Cb 1.20 0.85 0.00 0.00 0.47 0.00 0.00 36.82 39.34 1nf7 h ILE 281 CO 0.50 0.00 -0.03 -0.26 -3.07 0.00 0.00 178.15 175.29 1nf7 h PHE 282 N 0.00 -0.08 -0.21 2.19 0.04 -1.95 -0.95 116.94 115.99 1nf7 h PHE 282 Ca 0.14 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.86 1nf7 h PHE 282 Cb 0.56 0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 1nf7 h PHE 282 CO 0.00 -0.02 -0.03 0.37 -0.60 0.00 0.00 178.31 178.03 1nf7 h GLN 283 N -0.12 0.39 -0.72 1.51 4.15 -1.69 -0.79 115.11 117.85 1nf7 h GLN 283 Ca -0.01 -0.14 0.14 0.00 0.77 0.00 0.00 58.65 59.41 1nf7 h GLN 283 Cb 0.10 -0.03 -0.10 0.00 0.21 0.00 0.00 27.48 27.66 1nf7 h GLN 283 CO 0.01 0.62 0.23 0.82 -1.93 0.00 0.00 178.83 178.58 1nf7 h ILE 284 N 0.13 0.61 0.66 2.39 2.04 -1.29 0.71 117.51 122.75 1nf7 h ILE 284 Ca 0.05 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 1nf7 h ILE 284 Cb 0.47 0.23 0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1nf7 h ILE 284 CO 0.02 0.06 -0.32 0.78 0.00 0.00 0.00 178.15 178.69 1nf7 h ASN 285 N 0.35 -0.76 -1.44 1.72 2.35 -1.06 -2.02 115.58 114.72 1nf7 h ASN 285 Ca 0.39 -0.01 0.42 0.00 -0.55 0.00 0.00 56.30 56.55 1nf7 h ASN 285 Cb 0.62 0.20 -0.07 0.00 0.05 0.00 0.00 38.32 39.12 1nf7 h ASN 285 CO -0.44 -0.42 1.03 -0.03 -1.65 0.00 0.00 177.43 175.92 1nf7 h MET 286 N -1.11 0.03 0.36 0.81 4.05 -0.09 0.36 114.93 119.34 1nf7 h MET 286 Ca -0.09 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.31 1nf7 h MET 286 Cb 0.72 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.52 1nf7 h MET 286 CO 0.15 0.02 -0.17 0.82 0.23 0.00 0.00 176.91 177.95 1nf7 h ILE 287 N 0.03 0.35 -0.55 1.77 1.08 0.80 -2.84 117.51 118.16 1nf7 h ILE 287 Ca 0.70 -0.70 0.09 0.00 -0.39 0.00 0.00 64.86 64.56 1nf7 h ILE 287 Cb 2.73 0.56 -0.07 0.00 -3.07 0.00 0.00 36.82 36.97 1nf7 h ILE 287 CO -0.05 0.08 0.16 0.11 -0.69 0.00 0.00 178.15 177.76 1nf7 h LYS 288 N -1.01 0.30 -0.41 2.37 1.57 0.13 -0.10 116.57 119.41 1nf7 h LYS 288 Ca -0.05 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.79 1nf7 h LYS 288 Cb 0.50 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.67 1nf7 h LYS 288 CO 0.08 0.20 -0.05 -0.92 -0.57 0.00 0.00 179.45 178.19 1nf7 h TYR 289 N 0.31 -0.12 0.02 -1.35 3.20 -0.54 -0.77 116.97 117.73 1nf7 h TYR 289 Ca 0.28 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.18 1nf7 h TYR 289 Cb 0.35 0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.74 1nf7 h TYR 289 CO -0.20 -0.13 -0.01 0.82 -1.64 0.00 0.00 178.16 177.00 1nf7 h ILE 290 N 0.05 1.30 -0.55 1.81 2.04 -1.13 -2.15 117.51 118.88 1nf7 h ILE 290 Ca 0.20 -0.97 0.09 0.00 1.00 0.00 0.00 64.86 65.17 1nf7 h ILE 290 Cb 0.30 1.95 -0.07 0.00 -0.74 0.00 0.00 36.82 38.26 1nf7 h ILE 290 CO -0.38 0.25 0.16 0.50 0.00 0.00 0.00 178.15 178.68 1nf7 h LYS 291 N -0.45 0.31 0.06 2.37 1.63 -0.88 0.23 116.57 119.85 1nf7 h LYS 291 Ca -0.00 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1nf7 h LYS 291 Cb 0.43 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.99 1nf7 h LYS 291 CO 0.00 0.21 -0.04 0.22 -3.45 0.00 0.00 179.45 176.39 1nf7 h ASP 292 N 0.32 -0.09 -0.24 4.20 3.58 -1.15 -2.88 116.42 120.15 1nf7 h ASP 292 Ca 0.27 0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.76 1nf7 h ASP 292 Cb 0.35 0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.36 1nf7 h ASP 292 CO -0.31 -0.06 -0.48 0.50 -2.88 0.00 0.00 179.24 176.01 1nf7 h LYS 293 N -0.09 -0.41 -3.63 0.28 3.64 -1.22 -3.30 116.57 111.83 1nf7 h LYS 293 Ca -0.01 0.03 -0.73 0.00 -1.27 0.00 0.00 60.65 58.67 1nf7 h LYS 293 Cb 0.07 0.09 -0.32 0.00 -0.41 0.00 0.00 32.23 31.67 1nf7 h LYS 293 CO 0.01 -0.27 -0.15 0.71 -2.27 0.00 0.00 179.45 177.47 1nf7 s TYR 294 N -5.33 3.59 0.13 1.91 2.02 0.79 -4.90 117.35 115.56 1nf7 s TYR 294 Ca -0.13 -2.49 -0.15 0.00 -0.37 0.00 0.00 57.07 53.93 1nf7 s TYR 294 Cb 0.07 -3.44 -0.01 0.00 -0.40 0.00 0.00 41.96 38.18 1nf7 s TYR 294 CO 0.53 -0.89 1.64 -1.35 -1.57 0.00 0.00 175.55 173.91 1nf7 h PRO 295 N 7.19 0.64 -2.87 -1.71 0.11 -1.59 -3.20 132.00 130.57 1nf7 h PRO 295 Ca 0.05 -0.15 -0.56 0.00 0.11 0.00 0.00 66.00 65.45 1nf7 h PRO 295 Cb 0.97 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 32.00 1nf7 h PRO 295 CO 0.74 0.66 3.00 -1.71 -0.21 0.00 0.00 178.00 180.49 1nf7 n ASN 296 N -4.57 7.77 -3.64 -2.05 5.15 -1.26 -4.78 115.26 111.89 1nf7 n ASN 296 Ca -0.00 -2.52 -0.07 0.00 -0.60 0.00 0.00 54.58 51.38 1nf7 n ASN 296 Cb 0.20 -1.48 -0.07 0.00 -0.53 0.00 0.00 39.78 37.90 1nf7 n ASN 296 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1nf7 s LEU 297 N 0.13 -0.86 0.16 1.20 2.96 -1.21 -5.09 118.68 115.98 1nf7 s LEU 297 Ca 0.66 1.40 -0.26 0.00 -0.22 0.00 0.00 54.13 55.71 1nf7 s LEU 297 Cb 0.20 2.29 -0.08 0.00 0.50 0.00 0.00 46.19 49.10 1nf7 s LEU 297 CO -0.05 -0.22 0.81 -1.10 -1.32 0.00 0.00 176.35 174.48 1nf7 s GLN 298 N 1.49 4.62 -0.11 1.98 -1.52 -1.21 -4.91 119.66 119.99 1nf7 s GLN 298 Ca -0.09 1.22 0.00 0.00 -1.95 0.00 0.00 55.36 54.55 1nf7 s GLN 298 Cb -0.05 -3.28 0.02 0.00 -0.22 0.00 0.00 33.01 29.48 1nf7 s GLN 298 CO -0.18 0.52 -0.11 0.08 -0.25 0.00 0.00 175.29 175.35 1nf7 s VAL 299 N -0.99 1.23 -0.16 1.09 1.01 -1.26 -2.20 120.40 119.12 1nf7 s VAL 299 Ca 0.37 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.78 1nf7 s VAL 299 Cb -0.23 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 1nf7 s VAL 299 CO 0.27 0.40 0.24 -0.63 0.00 0.00 0.00 175.10 175.38 1nf7 s ILE 300 N 1.38 5.34 0.27 2.22 1.01 0.08 -0.15 121.20 131.34 1nf7 s ILE 300 Ca 0.00 0.44 -0.29 0.00 0.00 0.00 0.00 60.65 60.80 1nf7 s ILE 300 Cb -0.13 -3.58 -0.09 0.00 0.01 0.00 0.00 42.46 38.67 1nf7 s ILE 300 CO -0.06 0.43 1.22 -0.83 0.00 0.00 0.00 174.94 175.70 1nf7 s GLY 301 N 0.25 2.88 1.00 6.18 0.00 -0.22 -2.38 107.32 115.03 1nf7 s GLY 301 Ca 0.14 1.06 -0.18 0.00 0.00 0.00 0.00 44.72 45.75 1nf7 s GLY 301 CO 0.03 1.79 -0.80 0.61 0.00 0.00 0.00 173.10 174.73 1nf7 n GLY 302 N 1.40 -4.12 3.66 0.20 0.00 -1.26 -1.95 105.19 103.12 1nf7 n GLY 302 Ca 0.01 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 1nf7 n GLY 302 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nf7 s ASN 303 N -1.11 6.47 0.32 1.61 -0.87 -1.16 -4.17 114.94 116.03 1nf7 s ASN 303 Ca 0.41 2.51 0.05 0.00 -1.57 0.00 0.00 52.86 54.27 1nf7 s ASN 303 Cb -0.14 -2.53 -0.06 0.00 -0.02 0.00 0.00 41.25 38.50 1nf7 s ASN 303 CO 0.79 -1.05 0.01 0.68 -2.57 0.00 0.00 177.10 174.95 1nf7 s VAL 304 N 4.49 1.46 0.00 1.60 -7.23 -0.53 -2.00 120.40 118.19 1nf7 s VAL 304 Ca 0.85 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 1nf7 s VAL 304 Cb -0.40 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 33.83 1nf7 s VAL 304 CO 0.38 -0.10 0.01 1.33 -0.31 0.00 0.00 175.10 176.40 1nf7 n VAL 305 N -0.69 0.00 -4.41 1.32 0.24 -1.26 -1.97 118.33 111.55 1nf7 n VAL 305 Ca -0.04 -0.02 -0.22 0.00 -2.04 0.00 0.00 64.34 62.03 1nf7 n VAL 305 Cb 0.66 1.27 -0.10 0.00 -1.47 0.00 0.00 33.84 34.19 1nf7 n VAL 305 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1nf7 s THR 306 N -0.03 2.15 0.34 3.34 -4.23 -1.26 -4.60 115.64 111.34 1nf7 s THR 306 Ca 0.00 -2.30 0.10 0.00 -1.18 0.00 0.00 61.69 58.31 1nf7 s THR 306 Cb 0.00 -2.17 0.07 0.00 1.34 0.00 0.00 72.50 71.74 1nf7 s THR 306 CO 0.00 -0.47 1.78 0.00 -0.54 0.00 0.00 174.62 175.39 1nf7 h ALA 307 N 2.44 1.28 -0.35 3.99 0.00 -1.92 -2.47 119.26 122.24 1nf7 h ALA 307 Ca -0.39 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.07 1nf7 h ALA 307 Cb 1.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1nf7 h ALA 307 CO 0.60 0.51 -0.12 0.00 0.00 0.00 0.00 179.25 180.25 1nf7 h ALA 308 N 1.53 0.49 -0.84 0.00 0.00 -1.98 -2.13 119.26 116.33 1nf7 h ALA 308 Ca 0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1nf7 h ALA 308 Cb 0.71 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1nf7 h ALA 308 CO 0.05 0.36 0.49 1.96 0.00 0.00 0.00 179.25 182.11 1nf7 h GLN 309 N 0.48 1.14 -0.45 0.00 4.20 -1.93 -2.87 115.11 115.69 1nf7 h GLN 309 Ca 0.08 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1nf7 h GLN 309 Cb 0.64 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1nf7 h GLN 309 CO 0.04 0.82 0.26 0.00 -0.67 0.00 0.00 178.83 179.28 1nf7 h ALA 310 N 1.26 0.57 -0.87 3.87 0.00 -1.24 -3.12 119.26 119.74 1nf7 h ALA 310 Ca 0.30 -0.07 0.23 0.00 0.00 0.00 0.00 54.91 55.37 1nf7 h ALA 310 Cb -0.02 -0.18 -0.14 0.00 0.00 0.00 0.00 17.79 17.45 1nf7 h ALA 310 CO -0.05 0.07 0.18 -0.22 0.00 0.00 0.00 179.25 179.22 1nf7 h LYS 311 N 0.59 0.16 -0.71 0.00 3.64 -1.15 0.17 116.57 119.27 1nf7 h LYS 311 Ca 0.16 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.47 1nf7 h LYS 311 Cb 0.01 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 1nf7 h LYS 311 CO -0.03 0.11 0.20 -0.91 -2.27 0.00 0.00 179.45 176.55 1nf7 h ASN 312 N 0.17 1.06 -0.13 4.20 -0.26 -1.62 -1.90 115.58 117.09 1nf7 h ASN 312 Ca 0.53 -0.22 -0.19 0.00 -0.56 0.00 0.00 56.30 55.86 1nf7 h ASN 312 Cb 1.06 -0.28 0.01 0.00 -1.06 0.00 0.00 38.32 38.05 1nf7 h ASN 312 CO -0.68 1.00 -0.67 -0.07 -1.06 0.00 0.00 177.43 175.95 1nf7 h LEU 313 N 1.07 0.82 -1.76 1.61 3.38 -0.89 0.14 115.31 119.67 1nf7 h LEU 313 Ca 0.23 -0.63 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 1nf7 h LEU 313 Cb 0.34 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1nf7 h LEU 313 CO -0.00 1.32 -0.14 0.40 0.09 0.00 0.00 178.44 180.11 1nf7 h ILE 314 N 0.37 1.01 0.22 1.22 2.04 -0.73 -1.38 117.51 120.27 1nf7 h ILE 314 Ca -0.05 -0.51 -0.34 0.00 1.00 0.00 0.00 64.86 64.97 1nf7 h ILE 314 Cb 1.31 1.28 0.02 0.00 -0.74 0.00 0.00 36.82 38.69 1nf7 h ILE 314 CO 0.14 0.14 -1.56 0.44 0.00 0.00 0.00 178.15 177.31 1nf7 h ASP 315 N 0.00 0.72 -0.40 1.72 3.45 -1.20 -3.18 116.42 117.52 1nf7 h ASP 315 Ca -0.00 -0.86 0.09 0.00 0.43 0.00 0.00 57.03 56.69 1nf7 h ASP 315 Cb 0.27 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.78 1nf7 h ASP 315 CO 0.02 1.69 0.28 0.00 -1.57 0.00 0.00 179.24 179.66 1nf7 h ALA 316 N 0.20 2.17 0.00 3.45 0.00 -0.16 -3.45 119.26 121.47 1nf7 h ALA 316 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1nf7 h ALA 316 Cb 2.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.90 1nf7 h ALA 316 CO 0.23 -0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.62 1nf7 n GLY 317 N -1.57 0.95 3.89 0.00 0.00 -0.60 -4.28 105.19 103.58 1nf7 n GLY 317 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1nf7 n GLY 317 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nf7 s VAL 318 N -1.44 4.25 -2.06 1.61 -7.23 -0.73 -4.88 120.40 109.91 1nf7 s VAL 318 Ca 0.00 0.45 0.17 0.00 -1.81 0.00 0.00 61.98 60.79 1nf7 s VAL 318 Cb 0.00 -3.69 0.16 0.00 0.56 0.00 0.00 36.38 33.41 1nf7 s VAL 318 CO 0.00 -0.82 1.06 0.47 -0.31 0.00 0.00 175.10 175.51 1nf7 n ASP 319 N -2.66 2.49 -3.61 4.85 8.00 0.79 -4.88 116.55 121.52 1nf7 n ASP 319 Ca 0.05 -1.73 0.03 0.00 0.71 0.00 0.00 54.79 53.85 1nf7 n ASP 319 Cb 0.56 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1nf7 n ASP 319 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nf7 s ALA 320 N -1.38 -2.47 -0.05 2.24 0.00 -1.24 -2.41 121.76 116.46 1nf7 s ALA 320 Ca 0.21 0.81 0.02 0.00 0.00 0.00 0.00 51.96 52.99 1nf7 s ALA 320 Cb 0.14 0.34 0.01 0.00 0.00 0.00 0.00 23.12 23.62 1nf7 s ALA 320 CO 0.21 -1.07 -0.09 -0.51 0.00 0.00 0.00 175.76 174.30 1nf7 s LEU 321 N -3.10 1.57 -0.55 0.00 1.43 -0.01 -1.06 118.68 116.96 1nf7 s LEU 321 Ca 0.17 -0.22 -0.18 0.00 -1.03 0.00 0.00 54.13 52.87 1nf7 s LEU 321 Cb 0.06 -0.64 0.10 0.00 0.03 0.00 0.00 46.19 45.74 1nf7 s LEU 321 CO -0.06 0.01 0.60 -0.60 0.23 0.00 0.00 176.35 176.53 1nf7 s ARG 322 N 0.64 3.03 -0.12 1.70 3.52 -0.82 -0.25 118.95 126.66 1nf7 s ARG 322 Ca -0.11 -1.37 -0.18 0.00 -0.13 0.00 0.00 55.73 53.94 1nf7 s ARG 322 Cb -0.14 -4.23 -0.04 0.00 -1.56 0.00 0.00 34.95 28.98 1nf7 s ARG 322 CO 0.02 -1.37 0.49 0.08 -0.81 0.00 0.00 175.30 173.71 1nf7 s VAL 323 N 2.24 5.18 0.00 7.11 1.01 -0.84 -1.46 120.40 133.64 1nf7 s VAL 323 Ca 0.09 0.98 0.00 0.00 0.00 0.00 0.00 61.98 63.05 1nf7 s VAL 323 Cb -0.25 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1nf7 s VAL 323 CO 0.06 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.09 1nf7 n GLY 324 N 3.27 3.06 2.69 4.51 0.00 -0.83 -1.46 105.19 116.42 1nf7 n GLY 324 Ca -0.07 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 1nf7 n GLY 324 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1nf7 s MET 325 N -1.64 0.54 0.00 1.61 1.75 -1.26 -4.64 119.30 115.66 1nf7 s MET 325 Ca 0.00 -0.64 0.00 0.00 -1.25 0.00 0.00 55.69 53.80 1nf7 s MET 325 Cb 0.00 -1.85 0.00 0.00 2.84 0.00 0.00 34.83 35.82 1nf7 s MET 325 CO 0.00 -0.84 0.00 0.41 -0.65 0.00 0.00 175.02 173.94 1nf7 n GLY 326 N 5.04 0.89 0.00 2.11 0.00 -1.26 -3.52 105.19 108.45 1nf7 n GLY 326 Ca -0.06 -0.61 0.01 0.00 0.00 0.00 0.00 46.02 45.36 1nf7 n GLY 326 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nf7 n SER 327 N 1.05 4.38 -4.65 1.61 7.64 -1.26 -4.78 113.62 117.61 1nf7 n SER 327 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.48 1nf7 n SER 327 Cb 0.47 0.98 0.03 0.00 -1.01 0.00 0.00 64.21 64.67 1nf7 n SER 327 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nf7 n GLY 328 N 2.48 0.04 0.37 0.23 0.00 -1.26 -3.03 105.19 104.01 1nf7 n GLY 328 Ca -0.01 0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.13 1nf7 n GLY 328 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1nf7 h SER 329 N 1.33 0.85 0.24 1.61 4.64 -1.97 -2.00 113.55 118.25 1nf7 h SER 329 Ca -0.47 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1nf7 h SER 329 Cb 1.33 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1nf7 h SER 329 CO 0.56 0.49 -0.66 2.30 -0.87 0.00 0.00 176.83 178.65 1nf7 n ILE 330 N -4.54 0.00 -2.82 0.95 -6.64 -1.26 -4.90 119.36 100.15 1nf7 n ILE 330 Ca 0.16 -0.04 -0.41 0.00 -1.77 0.00 0.00 62.75 60.69 1nf7 n ILE 330 Cb 0.31 0.64 -0.04 0.00 -1.44 0.00 0.00 39.64 39.11 1nf7 n ILE 330 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1nf7 n ILE 332 N 3.27 1.20 0.04 0.00 3.06 0.05 -4.65 119.36 122.34 1nf7 n ILE 332 Ca 0.02 -2.20 -0.12 0.00 -2.50 0.00 0.00 62.75 57.95 1nf7 n ILE 332 Cb 0.50 0.32 -0.06 0.00 0.54 0.00 0.00 39.64 40.94 1nf7 n ILE 332 CO 0.00 0.00 0.00 0.74 -2.50 0.00 0.00 176.55 174.79 1nf7 h THR 333 N 3.71 0.91 -0.58 9.51 2.02 -1.87 -2.55 112.91 124.06 1nf7 h THR 333 Ca -0.10 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.20 1nf7 h THR 333 Cb 1.40 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 68.69 1nf7 h THR 333 CO 0.04 0.00 0.40 1.56 0.37 0.00 0.00 175.52 177.89 1nf7 h GLN 334 N -0.06 0.25 0.00 6.66 4.20 -1.87 0.11 115.11 124.40 1nf7 h GLN 334 Ca 0.02 -0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 1nf7 h GLN 334 Cb 0.08 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1nf7 h GLN 334 CO -0.04 0.17 -0.59 0.93 -0.67 0.00 0.00 178.83 178.63 1nf7 h GLU 335 N 0.26 0.00 -0.29 1.46 5.08 -1.85 -3.32 114.58 115.92 1nf7 h GLU 335 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1nf7 h GLU 335 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1nf7 h GLU 335 CO -0.06 0.59 0.00 1.33 -1.00 0.00 0.00 179.01 179.87 1nf7 n VAL 336 N -3.34 0.87 0.00 3.13 0.24 -0.54 -4.94 118.33 113.74 1nf7 n VAL 336 Ca 0.01 -0.94 0.00 0.00 -2.04 0.00 0.00 64.34 61.37 1nf7 n VAL 336 Cb 0.73 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 33.69 1nf7 n VAL 336 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1nf7 n LEU 337 N 0.48 0.00 0.00 1.34 4.77 0.26 -5.05 117.00 118.79 1nf7 n LEU 337 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1nf7 n LEU 337 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1nf7 n LEU 337 CO 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.13 1nf7 n ALA 338 N -3.00 0.00 -2.55 -1.18 0.00 -1.26 -5.04 120.51 107.48 1nf7 n ALA 338 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1nf7 n ALA 338 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1nf7 n ALA 338 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nf7 n GLY 340 N 1.18 -0.63 3.61 0.00 0.00 -1.26 -4.41 105.19 103.68 1nf7 n GLY 340 Ca -0.15 -1.37 -0.09 0.00 0.00 0.00 0.00 46.02 44.41 1nf7 n GLY 340 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1nf7 s ARG 341 N -2.00 0.49 0.01 1.61 3.52 -1.23 -5.06 118.95 116.29 1nf7 s ARG 341 Ca 0.00 0.33 -0.31 0.00 -0.13 0.00 0.00 55.73 55.62 1nf7 s ARG 341 Cb 0.00 0.23 -0.10 0.00 -1.56 0.00 0.00 34.95 33.53 1nf7 s ARG 341 CO 0.00 -0.11 1.94 -2.30 -0.81 0.00 0.00 175.30 174.03 1nf7 n PRO 342 N 1.44 2.70 -0.27 5.12 -0.02 -1.26 -4.61 135.00 138.09 1nf7 n PRO 342 Ca -0.11 0.99 -0.07 0.00 -2.02 0.00 0.00 63.50 62.29 1nf7 n PRO 342 Cb 0.57 -2.92 -0.07 0.00 -0.02 0.00 0.00 33.50 31.07 1nf7 n PRO 342 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1nf7 n GLN 343 N 7.19 -0.29 -0.27 -0.52 -0.06 -1.26 -1.44 117.38 120.74 1nf7 n GLN 343 Ca 0.21 1.33 0.05 0.00 -2.00 0.00 0.00 57.00 56.59 1nf7 n GLN 343 Cb 0.38 -1.96 0.16 0.00 -4.06 0.00 0.00 30.24 24.76 1nf7 n GLN 343 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1nf7 h ALA 344 N -0.02 0.77 -0.37 1.69 0.00 -1.88 0.18 119.26 119.65 1nf7 h ALA 344 Ca 0.10 0.26 -0.09 0.00 0.00 0.00 0.00 54.91 55.19 1nf7 h ALA 344 Cb 0.27 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1nf7 h ALA 344 CO -0.61 -0.43 -0.11 1.15 0.00 0.00 0.00 179.25 179.24 1nf7 h THR 345 N 0.08 1.28 -0.25 0.00 2.02 -1.25 -2.23 112.91 112.56 1nf7 h THR 345 Ca 0.42 -1.20 0.02 0.00 0.77 0.00 0.00 66.41 66.42 1nf7 h THR 345 Cb 0.74 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 1nf7 h THR 345 CO -0.71 0.40 0.11 0.00 0.37 0.00 0.00 175.52 175.69 1nf7 h ALA 346 N 0.82 0.29 -0.29 6.16 0.00 0.08 0.16 119.26 126.47 1nf7 h ALA 346 Ca 0.09 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1nf7 h ALA 346 Cb 0.63 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1nf7 h ALA 346 CO 0.04 -0.29 0.19 0.28 0.00 0.00 0.00 179.25 179.48 1nf7 h VAL 347 N 0.25 1.08 0.01 0.00 2.07 -0.68 -0.58 116.25 118.40 1nf7 h VAL 347 Ca 0.10 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1nf7 h VAL 347 Cb 0.04 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1nf7 h VAL 347 CO -0.08 0.08 -0.01 0.22 0.02 0.00 0.00 177.57 177.80 1nf7 h TYR 348 N 0.40 -0.01 -0.16 1.57 3.20 -1.09 -2.20 116.97 118.68 1nf7 h TYR 348 Ca 0.11 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 1nf7 h TYR 348 Cb -0.04 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 1nf7 h TYR 348 CO -0.05 0.15 0.09 0.87 -1.64 0.00 0.00 178.16 177.57 1nf7 h LYS 349 N -0.17 0.22 0.00 1.82 1.79 -0.55 -2.21 116.57 117.47 1nf7 h LYS 349 Ca -0.00 -0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.34 1nf7 h LYS 349 Cb 0.16 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 1nf7 h LYS 349 CO 0.00 0.22 -0.47 0.28 -1.08 0.00 0.00 179.45 178.40 1nf7 h VAL 350 N 0.16 1.29 -0.04 0.50 2.07 -1.15 -3.21 116.25 115.87 1nf7 h VAL 350 Ca 0.06 -1.64 -0.25 0.00 0.82 0.00 0.00 66.70 65.68 1nf7 h VAL 350 Cb 0.06 1.90 0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1nf7 h VAL 350 CO -0.01 0.46 -0.96 0.28 0.02 0.00 0.00 177.57 177.36 1nf7 h SER 351 N 0.00 0.88 0.09 0.57 0.02 -1.29 0.12 113.55 113.93 1nf7 h SER 351 Ca -0.00 -0.67 -0.01 0.00 -0.84 0.00 0.00 61.79 60.27 1nf7 h SER 351 Cb 0.86 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 1nf7 h SER 351 CO 0.06 1.47 -0.04 -0.08 -1.14 0.00 0.00 176.83 177.10 1nf7 h GLU 352 N 0.42 0.00 0.00 3.45 4.22 -1.40 0.90 114.58 122.16 1nf7 h GLU 352 Ca -0.10 0.00 -0.15 0.00 0.08 0.00 0.00 59.36 59.19 1nf7 h GLU 352 Cb 1.61 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.83 1nf7 h GLU 352 CO 0.19 0.04 -0.97 -0.92 -2.18 0.00 0.00 179.01 175.17 1nf7 h TYR 353 N 0.00 0.00 -0.91 0.92 3.20 -1.55 -3.37 116.97 115.27 1nf7 h TYR 353 Ca -0.00 0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.02 1nf7 h TYR 353 Cb 0.09 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.29 1nf7 h TYR 353 CO 0.00 0.97 0.58 0.00 -1.64 0.00 0.00 178.16 178.08 1nf7 h ALA 354 N -0.66 1.84 -0.59 1.82 0.00 -0.77 -0.22 119.26 120.69 1nf7 h ALA 354 Ca -0.22 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.72 1nf7 h ALA 354 Cb 1.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1nf7 h ALA 354 CO -0.14 -0.09 0.39 0.07 0.00 0.00 0.00 179.25 179.48 1nf7 h ARG 355 N 0.69 0.74 0.00 0.00 0.11 -0.99 -0.99 114.38 113.94 1nf7 h ARG 355 Ca 0.46 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.50 1nf7 h ARG 355 Cb 0.76 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 31.68 1nf7 h ARG 355 CO -0.22 0.49 0.00 0.54 0.10 0.00 0.00 179.97 180.88 1nf7 n ARG 356 N -4.45 0.14 0.00 0.08 1.74 -0.09 -1.28 116.66 112.79 1nf7 n ARG 356 Ca 0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 1nf7 n ARG 356 Cb 0.08 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 1nf7 n ARG 356 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1nf7 n PHE 357 N -0.75 0.00 -2.60 -1.55 3.01 -0.42 -5.02 117.46 110.12 1nf7 n PHE 357 Ca 0.02 -0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.36 1nf7 n PHE 357 Cb 0.01 -0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.49 1nf7 n PHE 357 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1nf7 n GLY 358 N -0.00 0.04 3.25 1.37 0.00 -0.40 -5.00 105.19 104.44 1nf7 n GLY 358 Ca 0.00 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 1nf7 n GLY 358 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nf7 s VAL 359 N -2.83 3.85 0.65 1.61 1.01 -0.91 -4.62 120.40 119.16 1nf7 s VAL 359 Ca 0.14 -1.36 -0.18 0.00 0.00 0.00 0.00 61.98 60.59 1nf7 s VAL 359 Cb -0.06 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 1nf7 s VAL 359 CO 0.17 -0.36 1.13 -2.65 0.00 0.00 0.00 175.10 173.40 1nf7 n PRO 360 N 4.81 0.92 -5.10 2.72 -0.02 -1.26 -4.22 135.00 132.86 1nf7 n PRO 360 Ca -0.10 0.37 -0.32 0.00 -2.02 0.00 0.00 63.50 61.43 1nf7 n PRO 360 Cb 0.44 -2.36 -0.15 0.00 -0.02 0.00 0.00 33.50 31.40 1nf7 n PRO 360 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1nf7 s VAL 361 N -1.51 2.44 -0.38 -1.45 1.01 -1.26 -0.83 120.40 118.42 1nf7 s VAL 361 Ca 0.79 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 61.77 1nf7 s VAL 361 Cb -0.38 -1.93 0.06 0.00 0.00 0.00 0.00 36.38 34.12 1nf7 s VAL 361 CO 0.44 0.57 0.19 -0.63 0.00 0.00 0.00 175.10 175.66 1nf7 s ILE 362 N -0.16 4.06 -0.68 2.22 1.01 0.65 -1.95 121.20 126.36 1nf7 s ILE 362 Ca -0.03 -1.23 -0.26 0.00 0.00 0.00 0.00 60.65 59.13 1nf7 s ILE 362 Cb -0.14 -3.39 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 1nf7 s ILE 362 CO 0.04 -0.34 1.88 0.00 0.00 0.00 0.00 174.94 176.52 1nf7 s ALA 363 N 1.42 2.05 -0.20 9.38 0.00 -0.59 -1.99 121.76 131.83 1nf7 s ALA 363 Ca 0.01 -0.86 -0.05 0.00 0.00 0.00 0.00 51.96 51.06 1nf7 s ALA 363 Cb -0.21 -4.36 -0.02 0.00 0.00 0.00 0.00 23.12 18.52 1nf7 s ALA 363 CO 0.03 -4.11 0.00 0.34 0.00 0.00 0.00 175.76 172.02 1nf7 s ASP 364 N 8.07 4.86 0.00 0.00 2.15 -0.53 -1.75 116.67 129.46 1nf7 s ASP 364 Ca 0.68 -0.19 0.00 0.00 0.43 0.00 0.00 52.55 53.47 1nf7 s ASP 364 Cb -0.11 -1.83 0.00 0.00 -0.30 0.00 0.00 42.92 40.68 1nf7 s ASP 364 CO 0.16 0.07 0.00 0.61 -0.17 0.00 0.00 175.17 175.84 1nf7 n GLY 365 N 4.20 0.64 0.16 2.66 0.00 -1.25 -4.17 105.19 107.43 1nf7 n GLY 365 Ca -0.17 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1nf7 n GLY 365 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nf7 n GLY 366 N 1.43 1.40 3.55 -0.02 0.00 -1.17 -4.78 105.19 105.60 1nf7 n GLY 366 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1nf7 n GLY 366 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nf7 s ILE 367 N -2.37 3.65 -2.62 -0.61 -1.09 -1.26 -4.79 121.20 112.10 1nf7 s ILE 367 Ca 0.00 0.28 0.23 0.00 -2.23 0.00 0.00 60.65 58.92 1nf7 s ILE 367 Cb 0.00 -4.71 0.29 0.00 -1.58 0.00 0.00 42.46 36.46 1nf7 s ILE 367 CO 0.00 -1.65 1.29 0.00 -1.23 0.00 0.00 174.94 173.36 1nf7 n GLN 368 N 9.30 2.30 -3.61 2.79 6.02 -1.26 -4.66 117.38 128.26 1nf7 n GLN 368 Ca 0.09 -2.05 -0.04 0.00 -0.01 0.00 0.00 57.00 55.00 1nf7 n GLN 368 Cb 0.50 -1.46 -0.02 0.00 1.02 0.00 0.00 30.24 30.27 1nf7 n GLN 368 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1nf7 s ASN 369 N -1.68 -0.09 0.27 1.08 2.20 -1.26 -5.03 114.94 110.42 1nf7 s ASN 369 Ca 0.32 0.00 -0.09 0.00 -0.94 0.00 0.00 52.86 52.15 1nf7 s ASN 369 Cb 0.20 0.10 0.41 0.00 -2.00 0.00 0.00 41.25 39.96 1nf7 s ASN 369 CO 0.29 -0.15 1.57 0.58 -2.94 0.00 0.00 177.10 176.45 1nf7 h VAL 370 N 2.00 0.07 -0.75 3.54 2.07 -1.97 -0.33 116.25 120.89 1nf7 h VAL 370 Ca -0.06 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.62 1nf7 h VAL 370 Cb 1.15 0.07 -0.12 0.00 -1.52 0.00 0.00 31.29 30.88 1nf7 h VAL 370 CO 0.21 0.00 0.14 1.23 0.02 0.00 0.00 177.57 179.18 1nf7 h GLY 371 N -0.00 1.00 2.00 2.17 0.00 -1.97 -0.37 103.07 105.90 1nf7 h GLY 371 Ca 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1nf7 h GLY 371 CO -0.95 -0.23 0.00 0.45 0.00 0.00 0.00 176.54 175.80 1nf7 h HIS 372 N 0.22 0.00 0.14 5.60 3.86 -1.44 -2.68 115.15 120.85 1nf7 h HIS 372 Ca 0.42 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.63 1nf7 h HIS 372 Cb 0.74 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.21 1nf7 h HIS 372 CO -0.30 0.00 -0.07 0.82 0.86 0.00 0.00 177.93 179.25 1nf7 h ILE 373 N 0.00 0.97 -0.81 2.45 2.04 -1.08 -1.81 117.51 119.26 1nf7 h ILE 373 Ca 0.00 -1.13 0.08 0.00 1.00 0.00 0.00 64.86 64.82 1nf7 h ILE 373 Cb 0.15 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.77 1nf7 h ILE 373 CO 0.00 0.24 0.53 0.00 0.00 0.00 0.00 178.15 178.92 1nf7 h ALA 374 N -0.14 1.68 0.33 1.87 0.00 -1.53 -1.17 119.26 120.30 1nf7 h ALA 374 Ca -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1nf7 h ALA 374 Cb 0.54 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1nf7 h ALA 374 CO 0.03 0.18 -0.16 0.87 0.00 0.00 0.00 179.25 180.17 1nf7 h LYS 375 N 0.82 -0.42 -0.73 0.00 1.79 -1.47 0.10 116.57 116.65 1nf7 h LYS 375 Ca 0.36 0.03 0.03 0.00 -2.18 0.00 0.00 60.65 58.89 1nf7 h LYS 375 Cb 0.34 0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 31.04 1nf7 h LYS 375 CO -0.14 -0.23 0.46 0.00 -1.08 0.00 0.00 179.45 178.46 1nf7 h ALA 376 N 0.13 0.95 -0.55 3.86 0.00 -0.67 -2.21 119.26 120.77 1nf7 h ALA 376 Ca -0.05 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1nf7 h ALA 376 Cb 0.39 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1nf7 h ALA 376 CO 0.07 0.25 -0.06 -0.07 0.00 0.00 0.00 179.25 179.44 1nf7 h LEU 377 N 0.90 0.99 -0.87 0.00 3.38 -1.10 -2.71 115.31 115.90 1nf7 h LEU 377 Ca 0.29 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1nf7 h LEU 377 Cb 0.01 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1nf7 h LEU 377 CO -0.11 1.08 0.00 0.00 0.09 0.00 0.00 178.44 179.50 1nf7 n ALA 378 N -2.49 1.54 0.82 1.53 0.00 0.33 -2.52 120.51 119.72 1nf7 n ALA 378 Ca 0.02 0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.69 1nf7 n ALA 378 Cb 0.37 -1.38 0.28 0.00 0.00 0.00 0.00 19.45 18.72 1nf7 n ALA 378 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1nf7 n LEU 379 N -2.27 2.63 0.00 0.00 4.77 -0.99 -4.66 117.00 116.49 1nf7 n LEU 379 Ca 0.01 -1.07 0.00 0.00 -0.03 0.00 0.00 56.01 54.92 1nf7 n LEU 379 Cb 0.19 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1nf7 n LEU 379 CO 0.18 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 1nf7 n GLY 380 N 1.33 1.41 3.76 -0.72 0.00 -1.05 -4.14 105.19 105.80 1nf7 n GLY 380 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1nf7 n GLY 380 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nf7 s ALA 381 N -1.68 3.34 -0.08 4.61 0.00 -1.08 -4.71 121.76 122.16 1nf7 s ALA 381 Ca 0.00 0.92 0.03 0.00 0.00 0.00 0.00 51.96 52.91 1nf7 s ALA 381 Cb 0.00 -3.34 -0.25 0.00 0.00 0.00 0.00 23.12 19.53 1nf7 s ALA 381 CO 0.00 -0.27 0.53 0.43 0.00 0.00 0.00 175.76 176.45 1nf7 n SER 382 N 0.83 1.48 -4.03 0.00 7.64 -0.82 -4.45 113.62 114.27 1nf7 n SER 382 Ca 0.01 0.33 -0.10 0.00 1.01 0.00 0.00 58.87 60.11 1nf7 n SER 382 Cb 0.45 -0.46 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 1nf7 n SER 382 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1nf7 s THR 383 N -2.58 0.06 -0.01 0.44 -4.23 -1.13 -4.49 115.64 103.70 1nf7 s THR 383 Ca -0.13 -1.57 0.04 0.00 -1.18 0.00 0.00 61.69 58.85 1nf7 s THR 383 Cb 0.07 -2.00 -0.01 0.00 1.34 0.00 0.00 72.50 71.90 1nf7 s THR 383 CO 0.80 -0.27 -0.12 0.54 -0.54 0.00 0.00 174.62 175.03 1nf7 s VAL 384 N -4.01 0.98 -0.08 2.29 0.11 -0.00 -1.54 120.40 118.14 1nf7 s VAL 384 Ca 0.22 -0.54 -0.01 0.00 -2.93 0.00 0.00 61.98 58.71 1nf7 s VAL 384 Cb 0.04 -0.82 -0.03 0.00 -1.53 0.00 0.00 36.38 34.04 1nf7 s VAL 384 CO 0.03 0.27 -0.01 -0.32 -3.33 0.00 0.00 175.10 171.74 1nf7 s MET 385 N -0.32 2.96 0.16 1.54 -2.45 -0.72 -1.73 119.30 118.75 1nf7 s MET 385 Ca 0.05 -0.43 0.08 0.00 -1.25 0.00 0.00 55.69 54.13 1nf7 s MET 385 Cb -0.05 -2.77 -0.04 0.00 1.25 0.00 0.00 34.83 33.22 1nf7 s MET 385 CO -0.00 0.69 -0.16 -1.64 1.05 0.00 0.00 175.02 174.95 1nf7 s MET 386 N -0.85 1.21 0.00 4.11 1.00 -0.31 -3.83 119.30 120.64 1nf7 s MET 386 Ca 0.13 -1.40 0.00 0.00 0.00 0.00 0.00 55.69 54.42 1nf7 s MET 386 Cb -0.11 -1.16 0.00 0.00 0.00 0.00 0.00 34.83 33.56 1nf7 s MET 386 CO 0.02 0.22 0.00 0.41 0.00 0.00 0.00 175.02 175.67 1nf7 n GLY 387 N 0.21 0.01 0.29 -0.03 0.00 -1.26 -0.36 105.19 104.04 1nf7 n GLY 387 Ca -0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 1nf7 n GLY 387 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1nf7 h SER 388 N 0.00 0.73 0.00 1.61 4.64 -1.98 -0.22 113.55 118.34 1nf7 h SER 388 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1nf7 h SER 388 Cb 0.00 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 1nf7 h SER 388 CO 0.00 0.48 0.00 -0.11 -0.87 0.00 0.00 176.83 176.33 1nf7 n LEU 389 N -4.67 0.00 -2.78 5.97 7.94 -1.26 -1.17 117.00 121.03 1nf7 n LEU 389 Ca 0.10 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.99 1nf7 n LEU 389 Cb 0.14 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.16 1nf7 n LEU 389 CO 0.31 0.00 0.16 0.18 -1.11 0.00 0.00 177.39 176.93 1nf7 n LEU 390 N -0.75 0.77 -0.04 -1.96 4.77 -0.11 -4.95 117.00 114.72 1nf7 n LEU 390 Ca 0.02 -3.06 -0.04 0.00 -0.03 0.00 0.00 56.01 52.90 1nf7 n LEU 390 Cb 0.01 0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 41.46 1nf7 n LEU 390 CO 0.02 1.21 -0.33 0.00 -1.33 0.00 0.00 177.39 176.96 1nf7 n ALA 391 N -0.84 0.42 -0.39 -1.18 0.00 -0.32 -4.49 120.51 113.72 1nf7 n ALA 391 Ca 0.00 -0.52 0.32 0.00 0.00 0.00 0.00 53.44 53.25 1nf7 n ALA 391 Cb 0.82 0.01 0.59 0.00 0.00 0.00 0.00 19.45 20.88 1nf7 n ALA 391 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nf7 h ALA 392 N -1.51 2.41 -0.94 0.00 0.00 -1.79 -3.43 119.26 114.00 1nf7 h ALA 392 Ca 0.00 0.16 -0.38 0.00 0.00 0.00 0.00 54.91 54.70 1nf7 h ALA 392 Cb 0.48 0.21 0.09 0.00 0.00 0.00 0.00 17.79 18.57 1nf7 h ALA 392 CO 0.00 -1.06 -0.53 0.25 0.00 0.00 0.00 179.25 177.91 1nf7 n THR 393 N -4.90 0.52 0.21 0.00 -2.24 -1.26 -4.48 114.28 102.13 1nf7 n THR 393 Ca 0.36 -0.30 0.09 0.00 -2.27 0.00 0.00 64.05 61.93 1nf7 n THR 393 Cb 1.27 0.00 0.41 0.00 -2.10 0.00 0.00 70.33 69.91 1nf7 n THR 393 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1nf7 h THR 394 N 0.26 0.57 0.00 4.28 1.35 -1.80 -2.89 112.91 114.68 1nf7 h THR 394 Ca -0.21 -1.23 0.00 0.00 -0.55 0.00 0.00 66.41 64.42 1nf7 h THR 394 Cb 0.87 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 1nf7 h THR 394 CO 0.29 0.24 -0.01 -0.62 -0.25 0.00 0.00 175.52 175.18 1nf7 n GLU 395 N -3.37 0.07 -2.30 4.72 4.71 -1.26 -4.86 120.64 118.35 1nf7 n GLU 395 Ca 0.00 0.06 -0.33 0.00 -0.01 0.00 0.00 57.16 56.88 1nf7 n GLU 395 Cb 0.46 -1.58 -0.02 0.00 -1.01 0.00 0.00 31.44 29.30 1nf7 n GLU 395 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1nf7 s ALA 396 N -3.03 2.87 0.60 0.62 0.00 -1.09 -3.34 121.76 118.38 1nf7 s ALA 396 Ca 0.13 0.40 -0.19 0.00 0.00 0.00 0.00 51.96 52.29 1nf7 s ALA 396 Cb 0.17 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 1nf7 s ALA 396 CO 0.55 -0.49 1.19 -2.30 0.00 0.00 0.00 175.76 174.71 1nf7 n PRO 397 N -1.58 1.21 0.00 0.00 -0.02 -1.26 -4.84 135.00 128.51 1nf7 n PRO 397 Ca 0.08 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1nf7 n PRO 397 Cb 0.53 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1nf7 n PRO 397 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nf7 n GLY 398 N 1.01 0.14 3.46 -1.23 0.00 -1.26 -4.85 105.19 102.45 1nf7 n GLY 398 Ca 0.13 -1.78 -0.28 0.00 0.00 0.00 0.00 46.02 44.10 1nf7 n GLY 398 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nf7 s GLU 399 N -2.32 1.65 0.61 1.61 8.01 -1.26 -5.05 118.70 121.96 1nf7 s GLU 399 Ca 0.00 -1.40 -0.15 0.00 0.01 0.00 0.00 54.97 53.44 1nf7 s GLU 399 Cb 0.00 -1.96 -0.03 0.00 -4.31 0.00 0.00 34.13 27.83 1nf7 s GLU 399 CO 0.00 0.43 1.05 0.71 0.01 0.00 0.00 175.26 177.46 1nf7 s TYR 400 N -1.51 3.06 -0.37 1.61 1.51 -1.26 -4.68 117.35 115.71 1nf7 s TYR 400 Ca 0.20 1.48 0.06 0.00 -1.01 0.00 0.00 57.07 57.80 1nf7 s TYR 400 Cb -0.09 -2.96 0.17 0.00 -0.11 0.00 0.00 41.96 38.98 1nf7 s TYR 400 CO 0.10 -1.08 0.52 -0.06 -1.11 0.00 0.00 175.55 173.93 1nf7 s PHE 401 N -2.62 -1.26 0.08 2.71 2.99 -1.20 -5.00 117.98 113.68 1nf7 s PHE 401 Ca 0.62 0.08 -0.36 0.00 0.00 0.00 0.00 56.93 57.27 1nf7 s PHE 401 Cb -0.15 0.05 -0.19 0.00 0.00 0.00 0.00 43.02 42.73 1nf7 s PHE 401 CO 0.41 -1.08 0.88 1.19 -0.00 0.00 0.00 175.22 176.62 1nf7 n PHE 402 N 4.64 0.26 -3.55 0.36 3.01 -1.26 -4.43 117.46 116.48 1nf7 n PHE 402 Ca 0.09 1.02 -0.17 0.00 1.01 0.00 0.00 57.45 59.39 1nf7 n PHE 402 Cb 0.52 -2.05 -0.14 0.00 -0.01 0.00 0.00 39.48 37.81 1nf7 n PHE 402 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1nf7 s SER 403 N -0.35 1.12 -0.61 4.37 0.15 0.20 -4.91 113.70 113.66 1nf7 s SER 403 Ca 0.81 0.00 -0.01 0.00 0.70 0.00 0.00 55.95 57.45 1nf7 s SER 403 Cb -1.14 0.40 -0.01 0.00 -1.71 0.00 0.00 66.02 63.56 1nf7 s SER 403 CO 0.56 -0.30 0.52 0.47 1.20 0.00 0.00 173.24 175.70 1nf7 n ASP 404 N 5.32 -2.77 -1.46 5.45 9.92 -1.26 -3.18 116.55 128.58 1nf7 n ASP 404 Ca -0.05 -0.34 -0.19 0.00 -0.53 0.00 0.00 54.79 53.67 1nf7 n ASP 404 Cb 0.50 -2.98 -0.08 0.00 -0.64 0.00 0.00 41.12 37.91 1nf7 n ASP 404 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1nf7 n GLY 405 N -1.16 1.83 2.99 0.44 0.00 -1.26 -4.96 105.19 103.07 1nf7 n GLY 405 Ca -0.12 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 1nf7 n GLY 405 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nf7 s ILE 406 N -2.66 0.11 1.24 -0.61 1.01 -1.19 -5.16 121.20 113.94 1nf7 s ILE 406 Ca 0.00 -0.92 -0.17 0.00 0.00 0.00 0.00 60.65 59.57 1nf7 s ILE 406 Cb 0.00 -0.29 0.30 0.00 0.01 0.00 0.00 42.46 42.48 1nf7 s ILE 406 CO 0.00 -0.50 1.01 -0.13 0.00 0.00 0.00 174.94 175.32 1nf7 s ARG 407 N -1.51 -1.50 -0.04 2.79 0.52 -1.26 0.59 118.95 118.55 1nf7 s ARG 407 Ca -0.15 0.46 -0.30 0.00 -0.52 0.00 0.00 55.73 55.21 1nf7 s ARG 407 Cb -0.10 -1.52 0.11 0.00 0.52 0.00 0.00 34.95 33.97 1nf7 s ARG 407 CO -0.01 -4.01 0.97 -1.17 0.02 0.00 0.00 175.30 171.10 1nf7 s LEU 408 N -7.32 -0.30 -0.30 2.53 0.20 -1.26 -4.50 118.68 107.74 1nf7 s LEU 408 Ca 0.68 -0.02 -0.13 0.00 0.69 0.00 0.00 54.13 55.35 1nf7 s LEU 408 Cb -0.19 1.89 0.16 0.00 -0.43 0.00 0.00 46.19 47.61 1nf7 s LEU 408 CO 0.61 -0.55 0.90 -0.75 -0.29 0.00 0.00 176.35 176.27 1nf7 s LYS 409 N -2.97 0.36 0.73 1.98 2.47 -0.55 -3.28 119.74 118.49 1nf7 s LYS 409 Ca 0.06 0.90 -0.16 0.00 -1.56 0.00 0.00 55.97 55.21 1nf7 s LYS 409 Cb -0.01 0.54 -0.07 0.00 -1.46 0.00 0.00 37.83 36.83 1nf7 s LYS 409 CO -0.07 -0.15 0.24 1.17 0.16 0.00 0.00 175.35 176.70 1nf7 n LYS 410 N 5.13 0.18 -3.26 4.03 4.81 -1.26 -0.47 118.16 127.32 1nf7 n LYS 410 Ca -0.09 0.09 0.03 0.00 -0.87 0.00 0.00 58.31 57.47 1nf7 n LYS 410 Cb 0.52 -1.59 -0.04 0.00 0.02 0.00 0.00 35.03 33.94 1nf7 n LYS 410 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1nf7 s TYR 411 N -1.97 -0.33 0.15 5.64 6.14 0.13 -4.63 117.35 122.49 1nf7 s TYR 411 Ca 0.60 0.55 -0.09 0.00 0.64 0.00 0.00 57.07 58.77 1nf7 s TYR 411 Cb -0.35 0.19 -0.01 0.00 0.42 0.00 0.00 41.96 42.21 1nf7 s TYR 411 CO 0.63 -0.16 0.26 -0.98 0.64 0.00 0.00 175.55 175.94 1nf7 s ARG 412 N 2.27 1.11 0.21 4.97 1.04 -1.26 -0.69 118.95 126.60 1nf7 s ARG 412 Ca -0.01 -1.15 -0.24 0.00 -1.04 0.00 0.00 55.73 53.29 1nf7 s ARG 412 Cb -0.03 0.37 -0.08 0.00 -2.04 0.00 0.00 34.95 33.16 1nf7 s ARG 412 CO -0.16 -0.40 0.79 0.20 -0.04 0.00 0.00 175.30 175.69 1nf7 s GLY 413 N -2.96 2.83 0.00 3.88 0.00 -0.48 -4.77 107.32 105.82 1nf7 s GLY 413 Ca 0.16 0.34 0.05 0.00 0.00 0.00 0.00 44.72 45.27 1nf7 s GLY 413 CO -0.01 0.80 1.10 1.03 0.00 0.00 0.00 173.10 176.02 1nf7 n MET 414 N 1.21 0.02 0.00 2.90 0.00 -1.26 -0.57 117.12 119.42 1nf7 n MET 414 Ca -0.04 0.37 0.13 0.00 0.00 0.00 0.00 57.70 58.16 1nf7 n MET 414 Cb 0.49 -1.50 0.29 0.00 0.00 0.00 0.00 33.22 32.50 1nf7 n MET 414 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1nf7 n GLY 415 N -0.98 0.52 3.81 3.03 0.00 -1.26 -4.33 105.19 105.98 1nf7 n GLY 415 Ca 0.01 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 1nf7 n GLY 415 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nf7 s SER 416 N -2.02 5.71 0.30 1.61 1.04 0.26 -2.67 113.70 117.93 1nf7 s SER 416 Ca 0.32 1.76 -0.00 0.00 0.48 0.00 0.00 55.95 58.51 1nf7 s SER 416 Cb 0.20 -2.52 0.51 0.00 0.10 0.00 0.00 66.02 64.31 1nf7 s SER 416 CO 0.32 -1.22 1.93 -0.07 0.98 0.00 0.00 173.24 175.19 1nf7 h LEU 417 N 0.17 0.92 0.60 2.42 3.38 -1.88 -0.42 115.31 120.49 1nf7 h LEU 417 Ca -0.46 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.48 1nf7 h LEU 417 Cb 1.22 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.77 1nf7 h LEU 417 CO 0.57 0.61 -0.29 0.44 0.09 0.00 0.00 178.44 179.87 1nf7 h ASP 418 N 1.05 -0.68 -0.92 -0.43 3.32 -1.92 -2.89 116.42 113.96 1nf7 h ASP 418 Ca 0.36 -0.03 0.14 0.00 0.02 0.00 0.00 57.03 57.53 1nf7 h ASP 418 Cb 0.10 0.18 -0.07 0.00 0.22 0.00 0.00 39.33 39.75 1nf7 h ASP 418 CO -0.12 -0.38 0.59 0.00 -1.72 0.00 0.00 179.24 177.61 1nf7 h ALA 419 N -0.67 1.78 -3.00 3.45 0.00 -1.75 -3.53 119.26 115.55 1nf7 h ALA 419 Ca -0.08 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1nf7 h ALA 419 Cb 0.66 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1nf7 h ALA 419 CO 0.13 -0.03 0.00 -1.33 0.00 0.00 0.00 179.25 178.02 1nf7 n MET 420 N -4.58 0.00 -4.14 0.00 2.81 -0.19 -5.00 117.12 106.02 1nf7 n MET 420 Ca 0.18 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.75 1nf7 n MET 420 Cb 0.46 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 32.90 1nf7 n MET 420 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1nf7 s ILE 437 N 0.24 4.48 0.42 2.02 1.09 -1.26 -5.07 121.20 123.12 1nf7 s ILE 437 Ca 0.00 -0.59 -0.22 0.00 -1.10 0.00 0.00 60.65 58.74 1nf7 s ILE 437 Cb 0.00 -3.07 -0.11 0.00 -1.06 0.00 0.00 42.46 38.22 1nf7 s ILE 437 CO 0.00 0.28 0.96 -0.75 -0.10 0.00 0.00 174.94 175.33 1nf7 s LYS 438 N -1.90 4.25 -0.39 2.79 2.20 -1.26 -5.02 119.74 120.41 1nf7 s LYS 438 Ca 0.24 1.17 -0.23 0.00 -0.36 0.00 0.00 55.97 56.79 1nf7 s LYS 438 Cb -0.12 -2.27 0.01 0.00 -1.51 0.00 0.00 37.83 33.95 1nf7 s LYS 438 CO 0.15 -0.01 0.78 0.08 -0.36 0.00 0.00 175.35 175.99 1nf7 s VAL 439 N -2.08 4.71 0.15 4.02 1.01 -1.26 -5.02 120.40 121.93 1nf7 s VAL 439 Ca 0.61 0.71 -0.31 0.00 0.00 0.00 0.00 61.98 62.98 1nf7 s VAL 439 Cb -0.11 -4.24 -0.09 0.00 0.00 0.00 0.00 36.38 31.93 1nf7 s VAL 439 CO 0.15 -0.52 1.54 0.00 0.00 0.00 0.00 175.10 176.26 1nf7 s ALA 440 N 3.15 3.73 -0.15 5.51 0.00 -1.26 -4.88 121.76 127.86 1nf7 s ALA 440 Ca 0.30 1.30 0.01 0.00 0.00 0.00 0.00 51.96 53.58 1nf7 s ALA 440 Cb -0.13 -3.61 0.03 0.00 0.00 0.00 0.00 23.12 19.41 1nf7 s ALA 440 CO 0.19 -0.77 0.86 1.04 0.00 0.00 0.00 175.76 177.07 1nf7 n GLN 441 N 4.11 1.63 -4.26 0.00 6.02 -1.09 -4.99 117.38 118.80 1nf7 n GLN 441 Ca 0.14 -1.22 -0.17 0.00 -0.01 0.00 0.00 57.00 55.73 1nf7 n GLN 441 Cb 0.39 -1.03 -0.09 0.00 1.02 0.00 0.00 30.24 30.53 1nf7 n GLN 441 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1nf7 s GLY 442 N -0.69 2.07 0.30 1.08 0.00 -1.21 -0.77 107.32 108.11 1nf7 s GLY 442 Ca 0.03 -1.94 0.05 0.00 0.00 0.00 0.00 44.72 42.85 1nf7 s GLY 442 CO 0.02 -1.46 0.00 -1.34 0.00 0.00 0.00 173.10 170.32 1nf7 s VAL 443 N -3.66 1.42 0.03 1.40 -7.23 0.11 -4.34 120.40 108.13 1nf7 s VAL 443 Ca 0.40 -2.05 0.08 0.00 -1.81 0.00 0.00 61.98 58.59 1nf7 s VAL 443 Cb 0.04 -2.63 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 1nf7 s VAL 443 CO 0.23 -0.15 -0.22 -0.55 -0.31 0.00 0.00 175.10 174.09 1nf7 s SER 444 N -3.47 3.51 0.00 4.85 0.15 -1.26 -1.38 113.70 116.09 1nf7 s SER 444 Ca 0.33 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.50 1nf7 s SER 444 Cb 0.07 -0.48 0.00 0.00 -1.71 0.00 0.00 66.02 63.90 1nf7 s SER 444 CO 0.14 0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.45 1nf7 n GLY 445 N 1.77 2.24 3.56 9.45 0.00 0.13 -4.96 105.19 117.38 1nf7 n GLY 445 Ca -0.16 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 1nf7 n GLY 445 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nf7 s ALA 446 N -1.00 -1.75 0.40 4.61 0.00 -1.22 0.21 121.76 123.00 1nf7 s ALA 446 Ca 0.00 0.73 0.03 0.00 0.00 0.00 0.00 51.96 52.72 1nf7 s ALA 446 Cb 0.00 0.52 -0.01 0.00 0.00 0.00 0.00 23.12 23.63 1nf7 s ALA 446 CO 0.00 -0.78 0.10 1.33 0.00 0.00 0.00 175.76 176.40 1nf7 n VAL 447 N -0.31 0.00 0.00 0.00 0.24 0.38 -4.86 118.33 113.78 1nf7 n VAL 447 Ca -0.09 -2.19 0.00 0.00 -2.04 0.00 0.00 64.34 60.02 1nf7 n VAL 447 Cb 0.62 0.69 0.00 0.00 -1.47 0.00 0.00 33.84 33.68 1nf7 n VAL 447 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nf7 n GLN 448 N -0.93 1.30 -3.43 7.34 6.02 -1.26 -1.48 117.38 124.94 1nf7 n GLN 448 Ca -0.09 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.80 1nf7 n GLN 448 Cb 0.57 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.74 1nf7 n GLN 448 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1nf7 s ASP 449 N -1.68 0.24 0.64 1.08 2.15 -1.26 -3.91 116.67 113.93 1nf7 s ASP 449 Ca 0.00 0.35 0.05 0.00 0.43 0.00 0.00 52.55 53.38 1nf7 s ASP 449 Cb 0.00 1.08 0.11 0.00 -0.30 0.00 0.00 42.92 43.81 1nf7 s ASP 449 CO 0.00 -0.29 0.88 -0.54 -0.17 0.00 0.00 175.17 175.05 1nf7 s LYS 450 N 2.53 2.02 0.00 4.34 1.02 -1.26 -5.01 119.74 123.39 1nf7 s LYS 450 Ca 0.09 -1.43 0.00 0.00 0.02 0.00 0.00 55.97 54.65 1nf7 s LYS 450 Cb -0.15 -2.51 0.00 0.00 -0.52 0.00 0.00 37.83 34.65 1nf7 s LYS 450 CO -0.15 -1.12 0.00 0.41 -0.92 0.00 0.00 175.35 173.57 1nf7 n GLY 451 N -2.50 -0.98 3.39 -3.33 0.00 -1.26 -4.55 105.19 95.96 1nf7 n GLY 451 Ca 0.16 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1nf7 n GLY 451 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nf7 s SER 452 N -1.47 3.40 0.66 1.61 0.15 -1.26 -3.12 113.70 113.66 1nf7 s SER 452 Ca 0.00 -0.54 0.23 0.00 0.70 0.00 0.00 55.95 56.34 1nf7 s SER 452 Cb 0.00 -0.40 1.23 0.00 -1.71 0.00 0.00 66.02 65.14 1nf7 s SER 452 CO 0.00 0.26 1.69 0.40 1.20 0.00 0.00 173.24 176.79 1nf7 h ILE 453 N 4.12 0.03 0.00 6.45 1.08 -1.95 0.79 117.51 128.03 1nf7 h ILE 453 Ca -0.47 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.00 1nf7 h ILE 453 Cb 1.15 0.49 0.00 0.00 -3.07 0.00 0.00 36.82 35.39 1nf7 h ILE 453 CO 0.45 0.00 0.00 1.41 -0.69 0.00 0.00 178.15 179.32 1nf7 n HIS 454 N -2.88 0.75 -0.00 1.37 8.25 -1.26 -2.82 115.22 118.63 1nf7 n HIS 454 Ca 0.00 0.23 -0.00 0.00 -0.26 0.00 0.00 57.72 57.69 1nf7 n HIS 454 Cb 0.58 -0.87 -0.00 0.00 1.12 0.00 0.00 29.99 30.81 1nf7 n HIS 454 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1nf7 n LYS 455 N -2.12 3.63 0.08 -0.41 4.76 0.23 -4.58 118.16 119.76 1nf7 n LYS 455 Ca 0.05 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.36 1nf7 n LYS 455 Cb 0.38 -1.01 -0.08 0.00 -1.84 0.00 0.00 35.03 32.47 1nf7 n LYS 455 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1nf7 h PHE 456 N 0.00 -0.19 -0.12 2.13 3.57 -0.48 -2.81 116.94 119.04 1nf7 h PHE 456 Ca -0.01 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.53 1nf7 h PHE 456 Cb 1.03 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.78 1nf7 h PHE 456 CO 0.00 0.13 -0.20 0.28 -2.23 0.00 0.00 178.31 176.29 1nf7 h VAL 457 N -0.53 0.51 -0.98 1.41 2.07 -1.74 -0.74 116.25 116.26 1nf7 h VAL 457 Ca -0.02 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.75 1nf7 h VAL 457 Cb 0.41 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 30.62 1nf7 h VAL 457 CO 0.03 0.00 0.66 -0.65 0.02 0.00 0.00 177.57 177.63 1nf7 h PRO 458 N -0.26 0.27 -0.48 1.57 0.11 -1.78 0.36 132.00 131.79 1nf7 h PRO 458 Ca 0.09 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.10 1nf7 h PRO 458 Cb 0.39 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 1nf7 h PRO 458 CO -0.27 0.18 -0.06 -0.92 -0.21 0.00 0.00 178.00 176.73 1nf7 h TYR 459 N 0.28 0.98 -0.86 0.65 3.20 -0.88 -2.13 116.97 118.20 1nf7 h TYR 459 Ca 0.51 -0.19 -0.02 0.00 3.14 0.00 0.00 58.73 62.17 1nf7 h TYR 459 Cb 1.50 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 39.49 1nf7 h TYR 459 CO -0.00 0.94 0.46 -0.07 -1.64 0.00 0.00 178.16 177.85 1nf7 h LEU 460 N 0.73 1.08 -0.66 2.82 3.38 0.27 -1.28 115.31 121.65 1nf7 h LEU 460 Ca 0.13 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1nf7 h LEU 460 Cb 0.59 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1nf7 h LEU 460 CO 0.04 0.87 0.28 0.40 0.09 0.00 0.00 178.44 180.12 1nf7 h ILE 461 N 1.20 1.23 -0.09 1.22 2.04 -0.86 -0.21 117.51 122.04 1nf7 h ILE 461 Ca 0.30 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 1nf7 h ILE 461 Cb 0.05 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1nf7 h ILE 461 CO -0.05 0.28 0.04 0.00 0.00 0.00 0.00 178.15 178.43 1nf7 h ALA 462 N 1.12 0.12 0.30 1.87 0.00 -0.84 -0.68 119.26 121.15 1nf7 h ALA 462 Ca 0.22 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1nf7 h ALA 462 Cb 0.18 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1nf7 h ALA 462 CO -0.02 -0.31 -0.41 0.78 0.00 0.00 0.00 179.25 179.29 1nf7 h GLY 463 N 0.01 -1.16 -0.19 0.00 0.00 -0.92 0.62 103.07 101.42 1nf7 h GLY 463 Ca 0.03 0.56 0.27 0.00 0.00 0.00 0.00 47.33 48.19 1nf7 h GLY 463 CO -0.00 -0.34 0.64 -2.22 0.00 0.00 0.00 176.54 174.62 1nf7 h ILE 464 N -0.74 0.51 -0.10 2.60 2.04 -0.99 0.51 117.51 121.34 1nf7 h ILE 464 Ca -0.04 -0.16 -0.06 0.00 1.00 0.00 0.00 64.86 65.61 1nf7 h ILE 464 Cb 0.67 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1nf7 h ILE 464 CO -0.11 0.08 -0.17 1.56 0.00 0.00 0.00 178.15 179.52 1nf7 h GLN 465 N 0.46 0.29 -0.75 2.37 4.20 -0.21 -1.15 115.11 120.32 1nf7 h GLN 465 Ca 0.63 -0.18 0.05 0.00 0.06 0.00 0.00 58.65 59.22 1nf7 h GLN 465 Cb 1.43 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 29.18 1nf7 h GLN 465 CO -0.39 0.76 0.49 0.45 -0.67 0.00 0.00 178.83 179.47 1nf7 h HIS 466 N -0.15 0.84 0.17 2.96 3.86 0.32 -0.15 115.15 123.00 1nf7 h HIS 466 Ca 0.01 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1nf7 h HIS 466 Cb 0.74 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.93 1nf7 h HIS 466 CO 0.10 0.46 -0.08 0.77 0.86 0.00 0.00 177.93 180.04 1nf7 h SER 467 N 0.85 -0.20 -1.01 2.45 0.02 0.01 -2.17 113.55 113.50 1nf7 h SER 467 Ca 0.31 -0.19 0.12 0.00 -0.84 0.00 0.00 61.79 61.19 1nf7 h SER 467 Cb 0.17 0.05 -0.08 0.00 0.14 0.00 0.00 62.40 62.68 1nf7 h SER 467 CO -0.10 0.09 0.63 0.00 -1.14 0.00 0.00 176.83 176.31 1nf7 h GLN 469 N 1.00 -1.03 -1.14 0.00 4.15 -0.89 0.10 115.11 117.29 1nf7 h GLN 469 Ca 0.50 0.07 0.33 0.00 0.77 0.00 0.00 58.65 60.32 1nf7 h GLN 469 Cb 0.49 0.23 -0.11 0.00 0.21 0.00 0.00 27.48 28.31 1nf7 h GLN 469 CO -0.27 -0.68 0.73 -0.44 -1.93 0.00 0.00 178.83 176.25 1nf7 h ASP 470 N -1.16 0.36 -0.00 -0.69 5.19 -1.04 0.26 116.42 119.34 1nf7 h ASP 470 Ca -0.11 0.10 -0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1nf7 h ASP 470 Cb 0.83 0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.40 1nf7 h ASP 470 CO 0.18 -0.02 -0.01 0.40 -3.12 0.00 0.00 179.24 176.67 1nf7 h ILE 471 N 0.27 1.53 0.00 0.35 2.04 -1.16 -2.18 117.51 118.36 1nf7 h ILE 471 Ca 0.68 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.97 1nf7 h ILE 471 Cb 1.91 2.58 0.00 0.00 -0.74 0.00 0.00 36.82 40.57 1nf7 h ILE 471 CO -0.34 0.41 0.00 0.61 0.00 0.00 0.00 178.15 178.83 1nf7 n GLY 472 N 0.70 0.57 3.76 5.37 0.00 0.92 -1.89 105.19 114.62 1nf7 n GLY 472 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 1nf7 n GLY 472 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nf7 s ALA 473 N -1.28 3.64 -2.30 4.61 0.00 -0.49 -4.90 121.76 121.04 1nf7 s ALA 473 Ca 0.00 -0.70 0.20 0.00 0.00 0.00 0.00 51.96 51.46 1nf7 s ALA 473 Cb 0.00 -1.92 0.64 0.00 0.00 0.00 0.00 23.12 21.83 1nf7 s ALA 473 CO 0.00 0.42 1.49 0.36 0.00 0.00 0.00 175.76 178.02 1nf7 n LYS 474 N 2.69 1.92 -3.50 0.00 2.85 -1.26 -4.03 118.16 116.83 1nf7 n LYS 474 Ca -0.18 -1.39 -0.09 0.00 -1.05 0.00 0.00 58.31 55.60 1nf7 n LYS 474 Cb 0.53 -1.41 -0.02 0.00 -0.65 0.00 0.00 35.03 33.48 1nf7 n LYS 474 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1nf7 s SER 475 N -1.50 -0.42 0.27 -5.58 1.04 -1.26 -1.07 113.70 105.19 1nf7 s SER 475 Ca 0.33 -0.03 0.04 0.00 0.48 0.00 0.00 55.95 56.77 1nf7 s SER 475 Cb 0.18 0.47 0.38 0.00 0.10 0.00 0.00 66.02 67.15 1nf7 s SER 475 CO 0.27 -0.76 1.67 -0.07 0.98 0.00 0.00 173.24 175.32 1nf7 h LEU 476 N 2.00 0.35 -1.25 2.42 3.38 -1.81 -2.08 115.31 118.32 1nf7 h LEU 476 Ca -0.26 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.61 1nf7 h LEU 476 Cb 1.26 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.87 1nf7 h LEU 476 CO 0.33 0.73 0.53 0.74 0.09 0.00 0.00 178.44 180.85 1nf7 h THR 477 N 0.28 1.08 -0.10 0.22 2.02 -1.86 -2.20 112.91 112.35 1nf7 h THR 477 Ca 0.03 -0.32 -0.06 0.00 0.77 0.00 0.00 66.41 66.82 1nf7 h THR 477 Cb 0.84 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1nf7 h THR 477 CO 0.07 0.17 -0.19 -0.61 0.37 0.00 0.00 175.52 175.33 1nf7 h GLN 478 N 0.93 0.30 -0.92 6.66 4.15 -1.86 -2.58 115.11 121.80 1nf7 h GLN 478 Ca 0.34 -0.20 0.18 0.00 0.77 0.00 0.00 58.65 59.75 1nf7 h GLN 478 Cb 0.15 0.02 -0.11 0.00 0.21 0.00 0.00 27.48 27.76 1nf7 h GLN 478 CO -0.11 0.79 0.49 0.28 -1.93 0.00 0.00 178.83 178.35 1nf7 h VAL 479 N -0.15 0.65 -0.14 2.39 2.07 -0.79 0.25 116.25 120.53 1nf7 h VAL 479 Ca 0.00 -0.21 -0.17 0.00 0.82 0.00 0.00 66.70 67.14 1nf7 h VAL 479 Cb 0.78 -0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1nf7 h VAL 479 CO 0.04 0.11 -0.59 0.03 0.02 0.00 0.00 177.57 177.18 1nf7 h ARG 480 N 0.61 0.65 -0.13 1.57 3.08 -1.47 -2.40 114.38 116.29 1nf7 h ARG 480 Ca 0.53 -0.51 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1nf7 h ARG 480 Cb 0.86 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 1nf7 h ARG 480 CO -0.41 1.13 0.05 0.00 -1.07 0.00 0.00 179.97 179.67 1nf7 h ALA 481 N 0.53 1.85 -0.07 0.04 0.00 -0.76 -1.63 119.26 119.22 1nf7 h ALA 481 Ca -0.03 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1nf7 h ALA 481 Cb 1.23 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1nf7 h ALA 481 CO 0.12 0.13 -0.26 0.52 0.00 0.00 0.00 179.25 179.76 1nf7 h MET 482 N 0.18 0.29 -0.11 0.00 2.86 -0.45 -2.63 114.93 115.08 1nf7 h MET 482 Ca 0.05 -0.23 -0.09 0.00 -2.06 0.00 0.00 59.70 57.37 1nf7 h MET 482 Cb 0.04 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1nf7 h MET 482 CO -0.01 0.86 -0.35 0.00 1.06 0.00 0.00 176.91 178.48 1nf7 h MET 483 N -0.21 0.23 0.00 1.72 -0.00 -1.14 -1.74 114.93 113.79 1nf7 h MET 483 Ca -0.01 -0.09 -0.05 0.00 -0.00 0.00 0.00 59.70 59.54 1nf7 h MET 483 Cb 0.90 -0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 32.48 1nf7 h MET 483 CO 0.05 0.55 -0.26 1.88 -0.00 0.00 0.00 176.91 179.14 1nf7 h TYR 484 N 0.20 0.00 0.00 -0.10 0.05 -1.37 -3.18 116.97 112.57 1nf7 h TYR 484 Ca 0.02 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.75 1nf7 h TYR 484 Cb 0.71 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.44 1nf7 h TYR 484 CO 0.01 0.26 -0.69 0.66 -1.05 0.00 0.00 178.16 177.35 1nf7 h SER 485 N 0.00 0.00 0.00 3.88 4.64 -1.06 -3.48 113.55 117.53 1nf7 h SER 485 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1nf7 h SER 485 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1nf7 h SER 485 CO 0.03 0.23 0.00 0.61 -0.87 0.00 0.00 176.83 176.84 1nf7 n GLY 486 N 1.21 0.61 0.13 -0.77 0.00 -0.81 -4.96 105.19 100.60 1nf7 n GLY 486 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1nf7 n GLY 486 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1nf7 h GLU 487 N 4.61 0.40 -6.50 1.61 4.81 -1.62 -3.44 114.58 114.45 1nf7 h GLU 487 Ca 0.00 -0.60 -0.53 0.00 -0.13 0.00 0.00 59.36 58.10 1nf7 h GLU 487 Cb 0.00 0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 1nf7 h GLU 487 CO 0.00 1.26 0.52 -1.17 -0.73 0.00 0.00 179.01 178.89 1nf7 s LEU 488 N -7.45 4.39 0.09 1.64 2.96 -0.98 -4.98 118.68 114.34 1nf7 s LEU 488 Ca -0.06 1.97 0.05 0.00 -0.22 0.00 0.00 54.13 55.87 1nf7 s LEU 488 Cb 0.07 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.14 1nf7 s LEU 488 CO 0.90 -0.40 -0.01 -0.54 -1.32 0.00 0.00 176.35 174.98 1nf7 s LYS 489 N 0.85 2.52 0.26 1.98 -0.14 -1.26 -4.68 119.74 119.26 1nf7 s LYS 489 Ca 0.56 -0.85 0.04 0.00 -1.36 0.00 0.00 55.97 54.36 1nf7 s LYS 489 Cb -0.28 -2.53 -0.06 0.00 -1.68 0.00 0.00 37.83 33.29 1nf7 s LYS 489 CO 0.30 0.54 0.01 -0.06 -0.76 0.00 0.00 175.35 175.38 1nf7 s PHE 490 N -1.30 1.70 -0.19 3.18 0.40 0.03 -2.01 117.98 119.78 1nf7 s PHE 490 Ca 0.25 -0.93 -0.12 0.00 -0.60 0.00 0.00 56.93 55.54 1nf7 s PHE 490 Cb -0.12 -1.02 0.06 0.00 0.51 0.00 0.00 43.02 42.46 1nf7 s PHE 490 CO 0.18 -0.02 0.47 -2.00 0.70 0.00 0.00 175.22 174.55 1nf7 s GLU 491 N -3.87 0.48 0.80 0.44 2.12 -1.21 -1.75 118.70 115.71 1nf7 s GLU 491 Ca 0.31 0.84 -0.12 0.00 0.36 0.00 0.00 54.97 56.36 1nf7 s GLU 491 Cb 0.06 0.07 0.08 0.00 0.26 0.00 0.00 34.13 34.60 1nf7 s GLU 491 CO 0.11 -0.14 1.14 0.15 -0.54 0.00 0.00 175.26 175.98 1nf7 s LYS 492 N 1.19 1.84 -0.14 4.30 1.02 -1.26 -1.59 119.74 125.10 1nf7 s LYS 492 Ca -0.08 1.46 -0.00 0.00 0.02 0.00 0.00 55.97 57.37 1nf7 s LYS 492 Cb -0.07 -1.83 0.03 0.00 -0.52 0.00 0.00 37.83 35.44 1nf7 s LYS 492 CO -0.11 -2.00 -0.11 1.03 -0.92 0.00 0.00 175.35 173.24 1nf7 s ARG 493 N -4.51 1.90 0.87 1.68 0.52 0.10 -4.82 118.95 114.70 1nf7 s ARG 493 Ca 0.67 -0.45 -0.12 0.00 -0.52 0.00 0.00 55.73 55.31 1nf7 s ARG 493 Cb -0.22 -1.91 0.11 0.00 0.52 0.00 0.00 34.95 33.45 1nf7 s ARG 493 CO 0.53 -0.28 1.10 0.95 0.02 0.00 0.00 175.30 177.62 1nf7 s THR 494 N 1.58 2.65 0.29 0.02 -4.23 -1.26 -4.70 115.64 109.98 1nf7 s THR 494 Ca 0.04 0.21 0.03 0.00 -1.18 0.00 0.00 61.69 60.79 1nf7 s THR 494 Cb -0.13 -2.86 0.28 0.00 1.34 0.00 0.00 72.50 71.13 1nf7 s THR 494 CO -0.09 -0.27 1.78 0.28 -0.54 0.00 0.00 174.62 175.78 1nf7 h SER 495 N -1.38 0.75 0.02 3.99 0.02 -1.99 0.39 113.55 115.36 1nf7 h SER 495 Ca -0.49 0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 60.43 1nf7 h SER 495 Cb 1.29 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 1nf7 h SER 495 CO 0.58 0.31 -0.37 0.28 -1.14 0.00 0.00 176.83 176.49 1nf7 h SER 496 N 0.78 0.49 0.07 3.07 0.02 -1.99 0.17 113.55 116.15 1nf7 h SER 496 Ca 0.53 -0.20 -0.09 0.00 -0.84 0.00 0.00 61.79 61.19 1nf7 h SER 496 Cb 0.75 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1nf7 h SER 496 CO -0.35 0.82 -0.28 0.00 -1.14 0.00 0.00 176.83 175.88 1nf7 h ALA 497 N 1.21 1.19 -0.13 3.77 0.00 -0.75 0.11 119.26 124.66 1nf7 h ALA 497 Ca 0.04 -0.34 -0.18 0.00 0.00 0.00 0.00 54.91 54.43 1nf7 h ALA 497 Cb 0.83 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.53 1nf7 h ALA 497 CO 0.07 0.53 -0.62 1.96 0.00 0.00 0.00 179.25 181.18 1nf7 h GLN 498 N 0.30 0.66 -0.48 0.00 4.20 -0.03 -0.33 115.11 119.43 1nf7 h GLN 498 Ca 0.04 -0.53 -0.01 0.00 0.06 0.00 0.00 58.65 58.21 1nf7 h GLN 498 Cb 0.66 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.52 1nf7 h GLN 498 CO 0.05 1.15 0.25 0.28 -0.67 0.00 0.00 178.83 179.88 1nf7 h VAL 499 N 0.33 1.18 0.00 -0.54 2.07 -0.63 -1.59 116.25 117.07 1nf7 h VAL 499 Ca -0.04 -0.49 -0.07 0.00 0.82 0.00 0.00 66.70 66.92 1nf7 h VAL 499 Cb 1.26 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1nf7 h VAL 499 CO 0.13 0.20 -0.35 -0.08 0.02 0.00 0.00 177.57 177.48 1nf7 h GLU 500 N 0.64 0.00 -0.44 1.57 4.81 -0.78 -2.90 114.58 117.48 1nf7 h GLU 500 Ca 0.17 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1nf7 h GLU 500 Cb 0.09 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1nf7 h GLU 500 CO -0.02 0.35 0.16 0.78 -0.73 0.00 0.00 179.01 179.55 1nf7 h GLY 501 N 1.34 0.67 0.00 1.92 0.00 -0.05 -3.44 103.07 103.51 1nf7 h GLY 501 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1nf7 h GLY 501 CO 0.05 0.31 0.00 0.61 0.00 0.00 0.00 176.54 177.51 1nf7 n GLY 502 N -1.12 1.64 3.73 4.60 0.00 -1.03 -5.05 105.19 107.96 1nf7 n GLY 502 Ca 0.03 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.59 1nf7 n GLY 502 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nf7 s VAL 503 N 1.28 3.59 0.21 1.61 1.01 -1.26 -4.99 120.40 121.86 1nf7 s VAL 503 Ca 0.00 1.27 -0.15 0.00 0.00 0.00 0.00 61.98 63.10 1nf7 s VAL 503 Cb 0.00 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.58 1nf7 s VAL 503 CO 0.00 0.17 0.50 -1.38 0.00 0.00 0.00 175.10 174.39 1nf7 s HIS 504 N 0.28 0.08 -1.94 5.22 -0.00 -1.26 -4.95 115.29 112.72 1nf7 s HIS 504 Ca 0.55 -0.44 0.00 0.00 -0.00 0.00 0.00 55.06 55.17 1nf7 s HIS 504 Cb -0.33 0.31 0.00 0.00 -0.00 0.00 0.00 32.58 32.56 1nf7 s HIS 504 CO 0.35 -0.95 0.00 0.43 -0.00 0.00 0.00 174.74 174.57 1nf7 n SER 505 N -0.35 -5.27 -4.60 7.38 7.64 -1.26 -4.99 113.62 112.17 1nf7 n SER 505 Ca -0.07 0.34 -0.34 0.00 1.01 0.00 0.00 58.87 59.81 1nf7 n SER 505 Cb 0.62 -4.59 -0.11 0.00 -1.01 0.00 0.00 64.21 59.12 1nf7 n SER 505 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1nf7 s LEU 506 N -5.01 3.24 0.36 -3.43 1.43 -1.26 -5.00 118.68 109.01 1nf7 s LEU 506 Ca 0.00 -0.01 0.17 0.00 -1.03 0.00 0.00 54.13 53.26 1nf7 s LEU 506 Cb 0.00 -1.73 0.64 0.00 0.03 0.00 0.00 46.19 45.13 1nf7 s LEU 506 CO 0.00 0.35 1.73 -0.74 0.23 0.00 0.00 176.35 177.92 1nf7 h HIS 507 N 5.13 0.00 -1.51 0.29 -0.00 -2.05 -3.46 115.15 113.55 1nf7 h HIS 507 Ca -0.49 0.00 0.25 0.00 -0.00 0.00 0.00 60.37 60.13 1nf7 h HIS 507 Cb 1.17 0.00 -0.18 0.00 -0.00 0.00 0.00 27.41 28.41 1nf7 h HIS 507 CO 0.58 0.41 0.80 -1.54 -0.00 0.00 0.00 177.93 178.18 1nf7 s SER 508 N -6.54 -0.14 -0.22 3.26 1.04 -1.26 -5.19 113.70 104.65 1nf7 s SER 508 Ca -0.00 -0.02 -0.34 0.00 0.48 0.00 0.00 55.95 56.07 1nf7 s SER 508 Cb 0.12 0.16 0.15 0.00 0.10 0.00 0.00 66.02 66.54 1nf7 s SER 508 CO 0.70 -0.26 1.24 -0.72 0.98 0.00 0.00 173.24 175.18 1nf7 s TYR 509 N -2.46 -0.12 0.46 5.02 -0.85 -1.26 -5.18 117.35 112.96 1nf7 s TYR 509 Ca 0.10 0.12 0.05 0.00 -0.52 0.00 0.00 57.07 56.82 1nf7 s TYR 509 Cb -0.00 0.50 -0.04 0.00 0.38 0.00 0.00 41.96 42.80 1nf7 s TYR 509 CO -0.05 -0.16 0.10 -1.21 -1.52 0.00 0.00 175.55 172.71 1nf7 s GLU 510 N -1.96 2.14 -0.12 -3.49 2.02 -1.26 -5.15 118.70 110.87 1nf7 s GLU 510 Ca 0.08 -2.13 -0.06 0.00 0.02 0.00 0.00 54.97 52.89 1nf7 s GLU 510 Cb -0.01 -1.74 0.05 0.00 0.10 0.00 0.00 34.13 32.53 1nf7 s GLU 510 CO -0.05 -0.23 0.28 0.21 0.02 0.00 0.00 175.26 175.49 1nf7 s LYS 511 N -3.88 0.22 -0.07 1.61 2.20 -1.26 -5.12 119.74 113.44 1nf7 s LYS 511 Ca 0.27 0.64 0.01 0.00 -0.36 0.00 0.00 55.97 56.53 1nf7 s LYS 511 Cb 0.04 -0.07 0.02 0.00 -1.51 0.00 0.00 37.83 36.31 1nf7 s LYS 511 CO 0.15 -0.20 -0.09 1.03 -0.36 0.00 0.00 175.35 175.88 1nf7 s ARG 512 N 1.61 1.41 -0.11 4.03 0.52 -1.26 -5.08 118.95 120.06 1nf7 s ARG 512 Ca -0.07 -0.28 -0.03 0.00 -0.52 0.00 0.00 55.73 54.83 1nf7 s ARG 512 Cb -0.11 -1.29 -0.25 0.00 0.52 0.00 0.00 34.95 33.82 1nf7 s ARG 512 CO -0.09 -0.08 0.39 1.28 0.02 0.00 0.00 175.30 176.82 1nf7 n LEU 513 N 4.17 2.35 0.00 2.53 4.77 -1.26 -5.34 117.00 124.23 1nf7 n LEU 513 Ca -0.20 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1nf7 n LEU 513 Cb 0.51 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1nf7 n LEU 513 CO 0.22 0.78 0.06 2.22 -1.33 0.00 0.00 177.39 179.34