#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xf2 h GLN 3 N 0.00 -0.04 0.07 3.69 7.50 -2.08 -3.35 115.11 120.90 2xf2 h GLN 3 Ca 0.00 0.00 0.01 0.00 0.50 0.00 0.00 58.65 59.16 2xf2 h GLN 3 Cb 0.00 0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.52 2xf2 h GLN 3 CO 0.00 -0.03 -0.11 0.35 -1.50 0.00 0.00 178.83 177.54 2xf2 h PHE 4 N -0.71 -0.28 0.00 2.96 3.57 -2.04 -2.88 116.94 117.55 2xf2 h PHE 4 Ca -0.00 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 2xf2 h PHE 4 Cb 0.03 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 2xf2 h PHE 4 CO 0.00 -0.17 -0.26 -0.07 -2.23 0.00 0.00 178.31 175.58 2xf2 h LEU 5 N -0.22 0.00 -2.66 0.59 3.38 -1.96 -3.15 115.31 111.28 2xf2 h LEU 5 Ca 0.02 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2xf2 h LEU 5 Cb 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2xf2 h LEU 5 CO -0.06 0.26 0.07 0.77 0.09 0.00 0.00 178.44 179.58 2xf2 h SER 6 N 0.00 0.00 0.49 -0.43 4.64 -1.64 -0.06 113.55 116.55 2xf2 h SER 6 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2xf2 h SER 6 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 2xf2 h SER 6 CO 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 2xf2 n GLN 7 N -3.29 0.16 -0.07 4.77 10.64 -1.19 -2.42 117.38 125.99 2xf2 n GLN 7 Ca -0.02 0.47 0.08 0.00 -1.83 0.00 0.00 57.00 55.71 2xf2 n GLN 7 Cb 0.15 -1.86 0.11 0.00 -0.86 0.00 0.00 30.24 27.78 2xf2 n GLN 7 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 2xf2 n PHE 8 N -2.17 0.17 -2.35 2.61 3.72 -0.03 -5.00 117.46 114.41 2xf2 n PHE 8 Ca 0.01 -0.12 -0.40 0.00 -0.05 0.00 0.00 57.45 56.88 2xf2 n PHE 8 Cb 0.16 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.66 2xf2 n PHE 8 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2xf2 s TYR 9 N -1.31 3.40 -0.26 1.38 2.02 -1.01 -5.03 117.35 116.53 2xf2 s TYR 9 Ca 0.24 1.60 -0.05 0.00 -0.37 0.00 0.00 57.07 58.49 2xf2 s TYR 9 Cb 0.15 -3.42 0.00 0.00 -0.40 0.00 0.00 41.96 38.30 2xf2 s TYR 9 CO 0.22 -1.00 0.01 -0.51 -1.57 0.00 0.00 175.55 172.70 2xf2 s LEU 10 N -1.57 3.36 -0.27 -1.29 1.43 -1.26 -5.10 118.68 113.99 2xf2 s LEU 10 Ca 0.46 -0.61 -0.10 0.00 -1.03 0.00 0.00 54.13 52.85 2xf2 s LEU 10 Cb -0.35 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 2xf2 s LEU 10 CO 0.45 -0.11 0.15 0.21 0.23 0.00 0.00 176.35 177.28 2xf2 s ASN 11 N 1.46 5.77 -0.40 2.29 3.84 -1.26 -4.99 114.94 121.65 2xf2 s ASN 11 Ca 0.03 -0.06 0.05 0.00 0.21 0.00 0.00 52.86 53.09 2xf2 s ASN 11 Cb -0.16 -2.06 0.46 0.00 -0.55 0.00 0.00 41.25 38.94 2xf2 s ASN 11 CO -0.01 -0.04 1.45 0.47 -2.79 0.00 0.00 177.10 176.18 2xf2 n ASP 12 N 4.97 5.59 -4.69 -4.21 8.00 -1.26 -5.00 116.55 119.95 2xf2 n ASP 12 Ca -0.15 -3.77 -0.38 0.00 0.71 0.00 0.00 54.79 51.21 2xf2 n ASP 12 Cb 0.52 -0.54 -0.07 0.00 -0.02 0.00 0.00 41.12 41.01 2xf2 n ASP 12 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2xf2 s GLN 13 N -3.65 4.20 -1.17 -1.24 -0.21 -1.26 -4.52 119.66 111.81 2xf2 s GLN 13 Ca 0.55 0.18 -0.20 0.00 0.02 0.00 0.00 55.36 55.91 2xf2 s GLN 13 Cb 0.44 -3.51 -0.01 0.00 1.00 0.00 0.00 33.01 30.94 2xf2 s GLN 13 CO 0.02 0.04 0.76 -3.47 -2.12 0.00 0.00 175.29 170.52 2xf2 n ASP 14 N 4.21 -4.81 -4.16 5.90 2.03 -1.26 -5.00 116.55 113.46 2xf2 n ASP 14 Ca -0.09 -1.03 -0.10 0.00 0.52 0.00 0.00 54.79 54.09 2xf2 n ASP 14 Cb 0.51 -3.26 -0.10 0.00 -0.72 0.00 0.00 41.12 37.55 2xf2 n ASP 14 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2xf2 s VAL 15 N -3.51 0.48 0.21 5.18 -7.23 -1.26 -5.15 120.40 109.12 2xf2 s VAL 15 Ca 0.43 -1.91 -0.16 0.00 -1.81 0.00 0.00 61.98 58.53 2xf2 s VAL 15 Cb -0.16 -1.79 -0.08 0.00 0.56 0.00 0.00 36.38 34.91 2xf2 s VAL 15 CO 0.87 -0.76 0.66 -0.31 -0.31 0.00 0.00 175.10 175.25 2xf2 s TYR 16 N -3.77 3.58 0.32 2.82 2.02 -1.26 -5.05 117.35 116.01 2xf2 s TYR 16 Ca 0.15 1.22 -0.29 0.00 -0.37 0.00 0.00 57.07 57.78 2xf2 s TYR 16 Cb 0.06 -2.50 -0.11 0.00 -0.40 0.00 0.00 41.96 39.02 2xf2 s TYR 16 CO -0.03 0.33 1.44 -1.17 -1.57 0.00 0.00 175.55 174.54 2xf2 s LEU 17 N -2.17 4.37 0.18 -1.29 2.96 -1.26 -4.96 118.68 116.50 2xf2 s LEU 17 Ca 0.43 2.85 0.04 0.00 -0.22 0.00 0.00 54.13 57.22 2xf2 s LEU 17 Cb -0.15 -3.65 -0.05 0.00 0.50 0.00 0.00 46.19 42.85 2xf2 s LEU 17 CO 0.20 -0.74 -0.05 0.42 -1.32 0.00 0.00 176.35 174.86 2xf2 s THR 18 N -0.74 1.02 1.23 3.68 -4.23 -1.26 -1.23 115.64 114.11 2xf2 s THR 18 Ca 0.54 -2.03 -0.19 0.00 -1.18 0.00 0.00 61.69 58.83 2xf2 s THR 18 Cb -0.44 -2.05 0.29 0.00 1.34 0.00 0.00 72.50 71.65 2xf2 s THR 18 CO 0.54 -0.57 1.07 -0.94 -0.54 0.00 0.00 174.62 174.19 2xf2 s SER 19 N -3.21 0.68 0.00 3.99 1.04 0.75 -4.83 113.70 112.12 2xf2 s SER 19 Ca 0.22 0.73 0.11 0.00 0.48 0.00 0.00 55.95 57.49 2xf2 s SER 19 Cb 0.04 -1.04 0.46 0.00 0.10 0.00 0.00 66.02 65.58 2xf2 s SER 19 CO 0.04 -4.28 1.34 0.59 0.98 0.00 0.00 173.24 171.90 2xf2 n ASN 20 N -4.88 0.00 -0.67 7.02 3.02 -1.26 -2.04 115.26 116.44 2xf2 n ASN 20 Ca 0.12 0.48 0.08 0.00 -0.03 0.00 0.00 54.58 55.23 2xf2 n ASN 20 Cb 0.59 -0.49 0.22 0.00 -0.61 0.00 0.00 39.78 39.49 2xf2 n ASN 20 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2xf2 n VAL 21 N -1.49 2.20 -0.82 2.41 0.24 -1.26 -4.99 118.33 114.62 2xf2 n VAL 21 Ca 0.03 -2.11 0.00 0.00 -2.04 0.00 0.00 64.34 60.22 2xf2 n VAL 21 Cb 0.12 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.23 2xf2 n VAL 21 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2xf2 n GLY 22 N -0.86 0.58 3.66 7.63 0.00 -0.87 -5.03 105.19 110.31 2xf2 n GLY 22 Ca 0.21 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2xf2 n GLY 22 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2xf2 s GLY 23 N -2.09 2.05 0.35 -0.02 0.00 -1.26 -4.79 107.32 101.55 2xf2 s GLY 23 Ca 0.00 -0.10 -0.29 0.00 0.00 0.00 0.00 44.72 44.33 2xf2 s GLY 23 CO 0.00 1.55 1.52 -4.14 0.00 0.00 0.00 173.10 172.03 2xf2 s PRO 24 N 2.14 4.12 0.21 2.90 0.02 -1.26 -0.17 135.00 142.95 2xf2 s PRO 24 Ca 0.34 2.57 -0.07 0.00 0.02 0.00 0.00 61.00 63.86 2xf2 s PRO 24 Cb -0.16 -2.99 -0.02 0.00 0.02 0.00 0.00 34.50 31.35 2xf2 s PRO 24 CO 0.11 -0.56 0.29 0.96 -0.33 0.00 0.00 177.00 177.47 2xf2 s ILE 25 N -0.73 0.01 0.23 2.83 -4.36 -0.37 -4.85 121.20 113.96 2xf2 s ILE 25 Ca 0.56 -1.68 0.11 0.00 -0.26 0.00 0.00 60.65 59.38 2xf2 s ILE 25 Cb -0.47 -2.28 -0.05 0.00 1.25 0.00 0.00 42.46 40.92 2xf2 s ILE 25 CO 0.58 -0.06 -0.17 0.00 0.24 0.00 0.00 174.94 175.53 2xf2 s GLN 26 N -4.07 1.78 0.00 0.37 -2.07 -1.26 -4.48 119.66 109.92 2xf2 s GLN 26 Ca 0.29 -1.53 0.16 0.00 -1.82 0.00 0.00 55.36 52.46 2xf2 s GLN 26 Cb 0.03 -1.93 0.27 0.00 -1.09 0.00 0.00 33.01 30.30 2xf2 s GLN 26 CO 0.09 0.38 1.09 -0.40 -1.32 0.00 0.00 175.29 175.13 2xf2 n ASP 27 N -0.20 0.52 -0.00 12.60 5.75 -1.26 -4.89 116.55 129.06 2xf2 n ASP 27 Ca -0.09 -1.96 0.07 0.00 -0.01 0.00 0.00 54.79 52.80 2xf2 n ASP 27 Cb 0.57 -0.20 -0.10 0.00 -1.03 0.00 0.00 41.12 40.36 2xf2 n ASP 27 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2xf2 n GLU 28 N 0.31 1.29 -4.03 0.11 -0.58 -1.26 -4.95 120.64 111.53 2xf2 n GLU 28 Ca 0.01 -0.07 -0.17 0.00 -0.42 0.00 0.00 57.16 56.51 2xf2 n GLU 28 Cb 0.97 -1.28 -0.15 0.00 -0.57 0.00 0.00 31.44 30.41 2xf2 n GLU 28 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2xf2 s ASN 29 N -3.08 0.51 0.57 1.62 0.01 -1.26 -5.14 114.94 108.17 2xf2 s ASN 29 Ca 0.00 -0.06 -0.19 0.00 -0.71 0.00 0.00 52.86 51.90 2xf2 s ASN 29 Cb 0.11 -0.20 -0.04 0.00 0.41 0.00 0.00 41.25 41.52 2xf2 s ASN 29 CO 0.63 -0.04 1.16 -0.44 -1.51 0.00 0.00 177.10 176.90 2xf2 s SER 30 N 0.58 5.45 -0.22 -1.22 0.01 -1.26 -4.97 113.70 112.08 2xf2 s SER 30 Ca -0.06 2.25 -0.29 0.00 1.31 0.00 0.00 55.95 59.16 2xf2 s SER 30 Cb -0.09 -2.59 -0.00 0.00 0.21 0.00 0.00 66.02 63.55 2xf2 s SER 30 CO -0.01 -1.40 1.17 -0.22 0.41 0.00 0.00 173.24 173.18 2xf2 s LEU 31 N -3.98 4.10 0.20 2.44 2.96 -1.26 -5.03 118.68 118.11 2xf2 s LEU 31 Ca 0.74 1.47 0.11 0.00 -0.22 0.00 0.00 54.13 56.24 2xf2 s LEU 31 Cb -0.26 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.84 2xf2 s LEU 31 CO 0.30 -0.77 -0.22 -0.94 -1.32 0.00 0.00 176.35 173.40 2xf2 s SER 32 N 1.74 3.54 -1.02 3.68 1.04 -1.26 -1.35 113.70 120.07 2xf2 s SER 32 Ca 0.50 -0.86 -0.21 0.00 0.48 0.00 0.00 55.95 55.86 2xf2 s SER 32 Cb -0.18 -0.31 0.08 0.00 0.10 0.00 0.00 66.02 65.71 2xf2 s SER 32 CO 0.12 0.11 1.38 0.00 0.98 0.00 0.00 173.24 175.82 2xf2 s ALA 33 N -1.79 2.96 0.00 5.32 0.00 -0.53 -4.84 121.76 122.88 2xf2 s ALA 33 Ca 0.22 -2.47 0.00 0.00 0.00 0.00 0.00 51.96 49.72 2xf2 s ALA 33 Cb -0.08 -4.39 0.00 0.00 0.00 0.00 0.00 23.12 18.65 2xf2 s ALA 33 CO 0.11 -3.40 0.00 0.41 0.00 0.00 0.00 175.76 172.88 2xf2 n GLY 34 N 6.35 -0.72 0.34 0.00 0.00 -1.26 -3.42 105.19 106.47 2xf2 n GLY 34 Ca 0.31 -1.71 -0.02 0.00 0.00 0.00 0.00 46.02 44.61 2xf2 n GLY 34 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2xf2 h GLN 35 N 0.00 1.05 -0.11 1.61 4.15 -2.01 -3.00 115.11 116.79 2xf2 h GLN 35 Ca 0.00 -0.13 -0.06 0.00 0.77 0.00 0.00 58.65 59.23 2xf2 h GLN 35 Cb 0.00 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.46 2xf2 h GLN 35 CO 0.00 0.79 -0.34 0.54 -1.93 0.00 0.00 178.83 177.90 2xf2 n ARG 36 N -4.34 1.67 -2.83 1.69 1.74 -1.26 -5.06 116.66 108.28 2xf2 n ARG 36 Ca 0.07 -3.23 -0.21 0.00 -0.77 0.00 0.00 57.85 53.72 2xf2 n ARG 36 Cb 0.12 -1.68 0.06 0.00 -1.02 0.00 0.00 32.46 29.95 2xf2 n ARG 36 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2xf2 s GLY 37 N -2.98 1.79 0.73 -0.13 0.00 -1.14 -5.04 107.32 100.55 2xf2 s GLY 37 Ca 0.40 -1.80 -0.14 0.00 0.00 0.00 0.00 44.72 43.17 2xf2 s GLY 37 CO -0.04 -1.38 1.16 0.00 0.00 0.00 0.00 173.10 172.84 2xf2 s ALA 38 N -2.78 2.18 0.16 3.20 0.00 -1.26 -4.44 121.76 118.81 2xf2 s ALA 38 Ca 0.61 0.70 -0.28 0.00 0.00 0.00 0.00 51.96 52.99 2xf2 s ALA 38 Cb -0.07 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.57 2xf2 s ALA 38 CO 0.40 -1.76 0.89 0.99 0.00 0.00 0.00 175.76 176.28 2xf2 s THR 39 N -2.22 4.36 0.10 0.00 2.01 -1.26 -1.45 115.64 117.17 2xf2 s THR 39 Ca 0.70 1.95 -0.18 0.00 0.31 0.00 0.00 61.69 64.46 2xf2 s THR 39 Cb -0.25 -4.26 -0.07 0.00 0.01 0.00 0.00 72.50 67.93 2xf2 s THR 39 CO 0.46 0.43 0.58 -0.76 -0.69 0.00 0.00 174.62 174.64 2xf2 s LEU 40 N -0.64 4.48 0.50 4.42 1.43 -0.46 -4.96 118.68 123.46 2xf2 s LEU 40 Ca 0.42 1.24 0.17 0.00 -1.03 0.00 0.00 54.13 54.92 2xf2 s LEU 40 Cb -0.24 -3.03 1.23 0.00 0.03 0.00 0.00 46.19 44.18 2xf2 s LEU 40 CO 0.29 0.22 2.11 0.25 0.23 0.00 0.00 176.35 179.45 2xf2 h LEU 41 N 4.24 0.00 0.00 1.79 5.85 -1.96 -2.50 115.31 122.73 2xf2 h LEU 41 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 2xf2 h LEU 41 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 2xf2 h LEU 41 CO 0.64 0.06 0.00 0.00 -0.34 0.00 0.00 178.44 178.80 2xf2 n GLN 42 N -4.42 0.51 -2.26 1.25 10.64 -1.26 -4.50 117.38 117.34 2xf2 n GLN 42 Ca -0.03 0.04 -0.33 0.00 -1.83 0.00 0.00 57.00 54.85 2xf2 n GLN 42 Cb 0.14 -1.50 -0.04 0.00 -0.86 0.00 0.00 30.24 27.98 2xf2 n GLN 42 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 2xf2 s ASP 43 N -2.21 5.72 0.45 2.61 -1.08 -0.94 -4.74 116.67 116.48 2xf2 s ASP 43 Ca 0.26 -1.52 0.24 0.00 -0.52 0.00 0.00 52.55 51.01 2xf2 s ASP 43 Cb 0.14 -2.58 1.01 0.00 -1.46 0.00 0.00 42.92 40.03 2xf2 s ASP 43 CO 0.26 -2.29 1.87 2.19 0.52 0.00 0.00 175.17 177.72 2xf2 h PHE 44 N 9.71 0.00 0.01 -5.34 -0.00 -1.90 -2.54 116.94 116.88 2xf2 h PHE 44 Ca 0.23 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 58.20 2xf2 h PHE 44 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.91 2xf2 h PHE 44 CO 1.27 0.22 -0.00 0.82 -0.00 0.00 0.00 178.31 180.62 2xf2 h ILE 45 N 0.00 1.23 -0.13 0.88 2.04 -1.95 -0.53 117.51 119.06 2xf2 h ILE 45 Ca -0.00 -0.72 0.04 0.00 1.00 0.00 0.00 64.86 65.18 2xf2 h ILE 45 Cb 0.68 1.72 -0.05 0.00 -0.74 0.00 0.00 36.82 38.43 2xf2 h ILE 45 CO 0.03 0.19 -0.18 0.15 0.00 0.00 0.00 178.15 178.33 2xf2 h PHE 46 N -0.32 -0.47 -0.55 1.37 3.57 -1.91 -2.46 116.94 116.16 2xf2 h PHE 46 Ca -0.00 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.41 2xf2 h PHE 46 Cb 0.32 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 2xf2 h PHE 46 CO 0.03 -0.26 -0.10 0.00 -2.23 0.00 0.00 178.31 175.75 2xf2 h ARG 47 N -0.23 1.05 -0.65 1.11 3.08 -1.37 -1.17 114.38 116.20 2xf2 h ARG 47 Ca 0.10 -0.39 -0.08 0.00 0.07 0.00 0.00 59.98 59.68 2xf2 h ARG 47 Cb 0.37 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 2xf2 h ARG 47 CO -0.26 1.08 0.10 1.05 -1.07 0.00 0.00 179.97 180.87 2xf2 h GLU 48 N 0.93 1.06 -0.19 0.04 -0.00 -1.07 0.86 114.58 116.21 2xf2 h GLU 48 Ca 0.14 -0.28 -0.04 0.00 -0.00 0.00 0.00 59.36 59.19 2xf2 h GLU 48 Cb 0.68 -0.13 -0.01 0.00 -0.00 0.00 0.00 28.75 29.30 2xf2 h GLU 48 CO 0.05 0.98 -0.02 -0.22 -0.00 0.00 0.00 179.01 179.80 2xf2 h LYS 49 N 1.00 0.35 -0.19 1.06 3.64 -1.20 -2.11 116.57 119.12 2xf2 h LYS 49 Ca 0.20 -0.12 -0.17 0.00 -1.27 0.00 0.00 60.65 59.29 2xf2 h LYS 49 Cb 0.44 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2xf2 h LYS 49 CO 0.01 0.58 -0.57 0.82 -2.27 0.00 0.00 179.45 178.02 2xf2 h ILE 50 N 0.09 1.32 -0.42 2.00 1.08 -1.14 -2.49 117.51 117.94 2xf2 h ILE 50 Ca 0.05 -1.83 -0.00 0.00 -0.39 0.00 0.00 64.86 62.69 2xf2 h ILE 50 Cb 0.44 1.79 -0.02 0.00 -3.07 0.00 0.00 36.82 35.96 2xf2 h ILE 50 CO 0.01 0.57 0.25 -0.61 -0.69 0.00 0.00 178.15 177.68 2xf2 h GLN 51 N 0.45 0.58 -0.72 2.37 4.15 -0.78 0.30 115.11 121.44 2xf2 h GLN 51 Ca 0.00 -0.05 0.04 0.00 0.77 0.00 0.00 58.65 59.41 2xf2 h GLN 51 Cb 1.13 -0.12 -0.05 0.00 0.21 0.00 0.00 27.48 28.65 2xf2 h GLN 51 CO 0.11 0.43 0.45 0.00 -1.93 0.00 0.00 178.83 177.89 2xf2 h ARG 52 N 0.56 0.83 -0.25 1.69 2.47 -1.31 -2.30 114.38 116.07 2xf2 h ARG 52 Ca 0.15 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.81 2xf2 h ARG 52 Cb 0.01 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.13 2xf2 h ARG 52 CO -0.03 0.55 0.11 0.35 0.56 0.00 0.00 179.97 181.52 2xf2 h PHE 53 N 0.85 0.36 -0.16 3.04 3.57 -0.92 -2.42 116.94 121.26 2xf2 h PHE 53 Ca 0.30 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.83 2xf2 h PHE 53 Cb 0.07 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 2xf2 h PHE 53 CO -0.05 0.35 0.18 -0.44 -2.23 0.00 0.00 178.31 176.13 2xf2 h ASP 54 N 0.26 0.00 -0.20 0.41 3.32 -0.04 -2.07 116.42 118.10 2xf2 h ASP 54 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2xf2 h ASP 54 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2xf2 h ASP 54 CO -0.01 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.92 2xf2 n HIS 55 N -3.79 0.59 -0.04 4.55 8.25 -0.90 -4.74 115.22 119.14 2xf2 n HIS 55 Ca 0.01 -0.82 0.02 0.00 -0.26 0.00 0.00 57.72 56.67 2xf2 n HIS 55 Cb 0.30 -0.21 0.35 0.00 1.12 0.00 0.00 29.99 31.55 2xf2 n HIS 55 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2xf2 h GLU 56 N 1.31 0.63 -6.69 -0.41 5.08 -0.89 -3.45 114.58 110.16 2xf2 h GLU 56 Ca 0.00 -0.06 -0.50 0.00 -1.00 0.00 0.00 59.36 57.80 2xf2 h GLU 56 Cb 1.16 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 2xf2 h GLU 56 CO 0.12 0.47 0.11 1.03 -1.00 0.00 0.00 179.01 179.75 2xf2 s ARG 57 N -5.41 4.11 0.24 2.33 1.81 -1.26 -5.09 118.95 115.67 2xf2 s ARG 57 Ca -0.09 0.77 0.09 0.00 -1.72 0.00 0.00 55.73 54.78 2xf2 s ARG 57 Cb 0.17 -2.59 -0.05 0.00 -0.45 0.00 0.00 34.95 32.03 2xf2 s ARG 57 CO 0.75 0.23 -0.15 0.14 -0.68 0.00 0.00 175.30 175.60 2xf2 s VAL 58 N -1.82 1.94 0.33 3.52 -7.23 -1.26 -5.11 120.40 110.77 2xf2 s VAL 58 Ca 0.50 -2.25 -0.29 0.00 -1.81 0.00 0.00 61.98 58.13 2xf2 s VAL 58 Cb -0.13 -2.19 -0.12 0.00 0.56 0.00 0.00 36.38 34.51 2xf2 s VAL 58 CO 0.19 -0.49 1.51 -2.65 -0.31 0.00 0.00 175.10 173.35 2xf2 n PRO 59 N -0.49 2.59 -1.19 4.82 -0.02 -1.26 -4.96 135.00 134.49 2xf2 n PRO 59 Ca -0.07 0.91 -0.31 0.00 -2.02 0.00 0.00 63.50 62.02 2xf2 n PRO 59 Cb 0.61 -2.65 0.10 0.00 -0.02 0.00 0.00 33.50 31.54 2xf2 n PRO 59 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2xf2 s GLU 60 N -1.24 2.09 0.45 -0.52 -1.05 -1.26 -4.83 118.70 112.34 2xf2 s GLU 60 Ca 0.59 1.22 -0.25 0.00 -0.15 0.00 0.00 54.97 56.38 2xf2 s GLU 60 Cb -0.51 -1.87 -0.08 0.00 -0.44 0.00 0.00 34.13 31.23 2xf2 s GLU 60 CO 0.56 -1.78 1.44 1.03 0.95 0.00 0.00 175.26 177.46 2xf2 s ARG 61 N -4.86 3.70 0.35 -4.83 0.52 -1.26 -4.89 118.95 107.69 2xf2 s ARG 61 Ca 0.62 2.44 0.03 0.00 -0.52 0.00 0.00 55.73 58.30 2xf2 s ARG 61 Cb -0.18 -2.67 0.65 0.00 0.52 0.00 0.00 34.95 33.27 2xf2 s ARG 61 CO 0.56 -0.81 1.98 0.00 0.02 0.00 0.00 175.30 177.05 2xf2 h ALA 62 N 2.35 1.52 -2.23 2.13 0.00 -1.98 -3.35 119.26 117.71 2xf2 h ALA 62 Ca -0.51 -0.08 -0.28 0.00 0.00 0.00 0.00 54.91 54.05 2xf2 h ALA 62 Cb 1.26 -0.22 -0.15 0.00 0.00 0.00 0.00 17.79 18.69 2xf2 h ALA 62 CO 0.61 0.40 -0.70 0.14 0.00 0.00 0.00 179.25 179.71 2xf2 s VAL 63 N -5.53 0.92 -1.53 0.00 -7.23 -1.26 -4.86 120.40 100.91 2xf2 s VAL 63 Ca -0.09 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.04 2xf2 s VAL 63 Cb 0.17 -1.80 0.00 0.00 0.56 0.00 0.00 36.38 35.32 2xf2 s VAL 63 CO 0.76 -0.78 0.47 1.41 -0.31 0.00 0.00 175.10 176.65 2xf2 n HIS 64 N -0.13 -1.69 -0.01 2.82 -0.00 -0.33 -4.91 115.22 110.97 2xf2 n HIS 64 Ca -0.11 0.40 0.03 0.00 -0.00 0.00 0.00 57.72 58.04 2xf2 n HIS 64 Cb 0.61 -4.25 0.38 0.00 -0.00 0.00 0.00 29.99 26.72 2xf2 n HIS 64 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2xf2 h ALA 65 N 0.96 1.59 -2.31 -1.41 0.00 -1.71 -3.39 119.26 112.99 2xf2 h ALA 65 Ca -0.50 -0.09 -0.69 0.00 0.00 0.00 0.00 54.91 53.63 2xf2 h ALA 65 Cb 1.35 -0.16 -0.18 0.00 0.00 0.00 0.00 17.79 18.79 2xf2 h ALA 65 CO 0.55 0.33 -0.13 0.50 0.00 0.00 0.00 179.25 180.50 2xf2 s ARG 66 N -5.33 3.12 0.32 0.00 6.06 -1.26 -4.49 118.95 117.38 2xf2 s ARG 66 Ca -0.08 -0.74 -0.18 0.00 -2.50 0.00 0.00 55.73 52.22 2xf2 s ARG 66 Cb 0.17 -3.99 0.05 0.00 0.06 0.00 0.00 34.95 31.24 2xf2 s ARG 66 CO 0.74 -0.93 0.80 0.20 -2.50 0.00 0.00 175.30 173.61 2xf2 s GLY 67 N 1.98 0.16 -0.01 8.12 0.00 -1.26 -1.85 107.32 114.46 2xf2 s GLY 67 Ca 0.14 -0.52 -0.12 0.00 0.00 0.00 0.00 44.72 44.22 2xf2 s GLY 67 CO 0.14 -0.01 0.24 -0.51 0.00 0.00 0.00 173.10 172.96 2xf2 s THR 68 N -2.89 0.07 0.20 0.90 -4.23 0.03 -4.97 115.64 104.75 2xf2 s THR 68 Ca 0.14 -0.56 0.05 0.00 -1.18 0.00 0.00 61.69 60.14 2xf2 s THR 68 Cb -0.05 -0.54 -0.05 0.00 1.34 0.00 0.00 72.50 73.20 2xf2 s THR 68 CO 0.09 -0.31 -0.07 -0.83 -0.54 0.00 0.00 174.62 172.97 2xf2 s GLY 69 N -1.34 1.38 0.01 3.99 0.00 -1.26 -0.52 107.32 109.58 2xf2 s GLY 69 Ca -0.14 -1.66 -0.19 0.00 0.00 0.00 0.00 44.72 42.73 2xf2 s GLY 69 CO 0.03 -1.67 0.42 0.00 0.00 0.00 0.00 173.10 171.89 2xf2 s ALA 70 N -3.28 -1.06 0.43 3.20 0.00 -0.06 -4.54 121.76 116.45 2xf2 s ALA 70 Ca 0.23 0.47 -0.13 0.00 0.00 0.00 0.00 51.96 52.53 2xf2 s ALA 70 Cb 0.03 0.22 -0.07 0.00 0.00 0.00 0.00 23.12 23.30 2xf2 s ALA 70 CO 0.06 -0.39 0.83 -1.01 0.00 0.00 0.00 175.76 175.25 2xf2 s HIS 71 N -1.95 3.45 0.00 0.00 3.76 0.07 -0.88 115.29 119.73 2xf2 s HIS 71 Ca -0.09 1.21 0.00 0.00 -0.15 0.00 0.00 55.06 56.04 2xf2 s HIS 71 Cb -0.02 -2.57 0.00 0.00 1.11 0.00 0.00 32.58 31.10 2xf2 s HIS 71 CO 0.01 -0.16 0.00 0.41 -0.85 0.00 0.00 174.74 174.16 2xf2 n GLY 72 N -1.24 2.52 2.97 -2.22 0.00 -0.63 -1.20 105.19 105.40 2xf2 n GLY 72 Ca 0.04 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 2xf2 n GLY 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2xf2 s THR 73 N -2.87 -0.03 -0.11 2.61 2.01 -0.14 -1.04 115.64 116.07 2xf2 s THR 73 Ca 0.00 0.11 -0.03 0.00 0.31 0.00 0.00 61.69 62.08 2xf2 s THR 73 Cb 0.00 -0.25 -0.03 0.00 0.01 0.00 0.00 72.50 72.23 2xf2 s THR 73 CO 0.00 0.05 0.00 0.12 -0.69 0.00 0.00 174.62 174.10 2xf2 s PHE 74 N 0.79 3.15 -0.13 4.92 5.36 0.67 -1.23 117.98 131.51 2xf2 s PHE 74 Ca -0.06 0.09 0.02 0.00 -0.96 0.00 0.00 56.93 56.02 2xf2 s PHE 74 Cb -0.08 -1.86 0.01 0.00 -0.34 0.00 0.00 43.02 40.75 2xf2 s PHE 74 CO -0.04 0.33 -0.19 0.99 -1.46 0.00 0.00 175.22 174.85 2xf2 s THR 75 N -0.47 1.82 0.23 0.12 2.01 0.03 -0.68 115.64 118.68 2xf2 s THR 75 Ca 0.08 -0.83 -0.30 0.00 0.31 0.00 0.00 61.69 60.95 2xf2 s THR 75 Cb -0.12 -1.63 -0.09 0.00 0.01 0.00 0.00 72.50 70.68 2xf2 s THR 75 CO 0.02 0.50 1.04 -0.55 -0.69 0.00 0.00 174.62 174.95 2xf2 s SER 76 N 0.90 7.40 0.00 3.53 0.15 -0.47 -0.96 113.70 124.25 2xf2 s SER 76 Ca -0.07 2.09 0.26 0.00 0.70 0.00 0.00 55.95 58.93 2xf2 s SER 76 Cb -0.15 -2.61 0.71 0.00 -1.71 0.00 0.00 66.02 62.26 2xf2 s SER 76 CO -0.02 -0.07 1.56 -1.22 1.20 0.00 0.00 173.24 174.69 2xf2 n TYR 77 N 1.74 0.00 -3.83 3.44 4.01 -0.05 -0.05 117.16 122.41 2xf2 n TYR 77 Ca -0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.67 2xf2 n TYR 77 Cb 0.46 -0.31 0.02 0.00 -0.31 0.00 0.00 39.34 39.20 2xf2 n TYR 77 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2xf2 s GLY 78 N -2.98 0.27 -0.52 2.72 0.00 -1.26 -4.71 107.32 100.84 2xf2 s GLY 78 Ca 0.12 -0.60 -0.20 0.00 0.00 0.00 0.00 44.72 44.04 2xf2 s GLY 78 CO 0.65 0.65 0.69 -0.35 0.00 0.00 0.00 173.10 174.74 2xf2 s ASP 79 N -3.19 6.24 -0.23 1.64 -1.08 -1.26 -3.01 116.67 115.78 2xf2 s ASP 79 Ca 0.18 -0.83 0.11 0.00 -0.52 0.00 0.00 52.55 51.49 2xf2 s ASP 79 Cb -0.04 -2.32 0.71 0.00 -1.46 0.00 0.00 42.92 39.81 2xf2 s ASP 79 CO 0.09 -0.96 1.63 0.79 0.52 0.00 0.00 175.17 177.24 2xf2 n TRP 80 N 6.42 1.94 0.31 -5.34 7.02 0.11 -4.61 117.44 123.30 2xf2 n TRP 80 Ca -0.05 -0.76 0.20 0.00 -1.02 0.00 0.00 57.50 55.88 2xf2 n TRP 80 Cb 0.46 -0.51 0.99 0.00 -2.42 0.00 0.00 31.31 29.82 2xf2 n TRP 80 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 2xf2 h SER 81 N 3.23 0.00 0.87 -0.99 4.64 -1.76 0.19 113.55 119.73 2xf2 h SER 81 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2xf2 h SER 81 Cb 1.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.00 2xf2 h SER 81 CO 0.50 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 177.05 2xf2 n ASN 82 N -3.06 0.00 -0.05 4.97 3.02 -1.26 -3.80 115.26 115.08 2xf2 n ASN 82 Ca -0.01 0.46 -0.06 0.00 -0.03 0.00 0.00 54.58 54.93 2xf2 n ASN 82 Cb 0.17 -0.49 -0.05 0.00 -0.61 0.00 0.00 39.78 38.80 2xf2 n ASN 82 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2xf2 n LEU 83 N -1.49 2.08 -3.67 3.41 7.94 0.44 -4.94 117.00 120.78 2xf2 n LEU 83 Ca 0.07 -0.04 -0.15 0.00 -1.11 0.00 0.00 56.01 54.78 2xf2 n LEU 83 Cb 0.30 -0.20 -0.08 0.00 0.53 0.00 0.00 43.42 43.97 2xf2 n LEU 83 CO 0.24 0.54 0.20 0.28 -1.11 0.00 0.00 177.39 177.53 2xf2 s THR 84 N -2.21 0.02 -1.75 1.96 -1.32 0.14 -3.96 115.64 108.51 2xf2 s THR 84 Ca -0.11 -0.16 0.30 0.00 -1.21 0.00 0.00 61.69 60.50 2xf2 s THR 84 Cb 0.03 -0.75 0.70 0.00 -1.51 0.00 0.00 72.50 70.98 2xf2 s THR 84 CO 0.28 -0.09 2.07 0.00 -2.21 0.00 0.00 174.62 174.67 2xf2 n ALA 85 N 1.79 2.53 -1.67 11.08 0.00 0.10 -3.80 120.51 130.55 2xf2 n ALA 85 Ca -0.18 -0.17 -0.44 0.00 0.00 0.00 0.00 53.44 52.66 2xf2 n ALA 85 Cb 0.56 -1.48 -0.04 0.00 0.00 0.00 0.00 19.45 18.50 2xf2 n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xf2 n ALA 86 N -1.12 1.48 -0.15 0.00 0.00 -1.18 -4.69 120.51 114.85 2xf2 n ALA 86 Ca 0.19 0.26 0.04 0.00 0.00 0.00 0.00 53.44 53.93 2xf2 n ALA 86 Cb 0.16 -2.60 0.33 0.00 0.00 0.00 0.00 19.45 17.34 2xf2 n ALA 86 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2xf2 h SER 87 N 9.59 0.69 0.50 0.00 0.87 -1.91 -2.33 113.55 120.97 2xf2 h SER 87 Ca -0.49 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 2xf2 h SER 87 Cb 1.25 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 2xf2 h SER 87 CO 0.94 0.48 0.00 2.22 -0.53 0.00 0.00 176.83 179.94 2xf2 n PHE 88 N -4.46 0.29 -0.75 2.24 -1.74 -1.26 -2.05 117.46 109.73 2xf2 n PHE 88 Ca 0.08 0.12 0.07 0.00 -0.56 0.00 0.00 57.45 57.16 2xf2 n PHE 88 Cb 0.12 -0.69 0.19 0.00 1.52 0.00 0.00 39.48 40.62 2xf2 n PHE 88 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 2xf2 n LEU 89 N -1.77 3.22 -0.13 5.98 4.77 -0.88 -4.60 117.00 123.59 2xf2 n LEU 89 Ca 0.03 -2.73 0.13 0.00 -0.03 0.00 0.00 56.01 53.41 2xf2 n LEU 89 Cb 0.17 -0.41 0.47 0.00 -2.33 0.00 0.00 43.42 41.32 2xf2 n LEU 89 CO 0.14 0.68 0.73 -1.54 -1.33 0.00 0.00 177.39 176.06 2xf2 n SER 90 N -0.47 0.62 -3.62 -1.43 3.41 -0.87 -0.71 113.62 110.55 2xf2 n SER 90 Ca 0.16 -0.52 -0.15 0.00 -0.26 0.00 0.00 58.87 58.10 2xf2 n SER 90 Cb 0.69 0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 64.59 2xf2 n SER 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2xf2 s ALA 91 N -2.63 -1.61 0.19 7.33 0.00 -1.20 -4.53 121.76 119.31 2xf2 s ALA 91 Ca 0.23 1.57 -0.32 0.00 0.00 0.00 0.00 51.96 53.44 2xf2 s ALA 91 Cb 0.19 -0.65 -0.11 0.00 0.00 0.00 0.00 23.12 22.55 2xf2 s ALA 91 CO 0.54 -0.32 1.61 -2.00 0.00 0.00 0.00 175.76 175.58 2xf2 s GLU 92 N -0.26 4.19 0.00 0.00 2.12 -1.16 -2.36 118.70 121.23 2xf2 s GLU 92 Ca -0.04 2.44 0.00 0.00 0.36 0.00 0.00 54.97 57.73 2xf2 s GLU 92 Cb -0.03 -3.12 0.00 0.00 0.26 0.00 0.00 34.13 31.24 2xf2 s GLU 92 CO 0.04 -0.64 0.00 0.41 -0.54 0.00 0.00 175.26 174.53 2xf2 n GLY 93 N 3.64 1.71 3.71 -1.50 0.00 0.93 -4.91 105.19 108.77 2xf2 n GLY 93 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2xf2 n GLY 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2xf2 s LYS 94 N -0.22 4.19 -0.02 1.61 2.20 -0.99 -4.65 119.74 121.86 2xf2 s LYS 94 Ca 0.00 2.41 0.01 0.00 -0.36 0.00 0.00 55.97 58.03 2xf2 s LYS 94 Cb 0.00 -3.23 -0.03 0.00 -1.51 0.00 0.00 37.83 33.06 2xf2 s LYS 94 CO 0.00 -0.66 -0.03 -1.21 -0.36 0.00 0.00 175.35 173.09 2xf2 s GLU 95 N 1.45 2.74 -0.03 4.03 2.02 -1.26 -1.37 118.70 126.28 2xf2 s GLU 95 Ca 0.72 -0.61 0.00 0.00 0.02 0.00 0.00 54.97 55.10 2xf2 s GLU 95 Cb -0.44 -2.63 0.03 0.00 0.10 0.00 0.00 34.13 31.19 2xf2 s GLU 95 CO 0.32 0.63 -0.00 0.99 0.02 0.00 0.00 175.26 177.22 2xf2 s THR 96 N -1.00 0.23 0.62 3.63 2.01 0.14 -4.97 115.64 116.31 2xf2 s THR 96 Ca 0.17 0.07 -0.18 0.00 0.31 0.00 0.00 61.69 62.06 2xf2 s THR 96 Cb -0.11 -0.33 -0.02 0.00 0.01 0.00 0.00 72.50 72.05 2xf2 s THR 96 CO 0.07 0.16 1.17 -2.84 -0.69 0.00 0.00 174.62 172.50 2xf2 s PRO 97 N 1.10 2.87 0.07 4.92 0.02 -1.26 -0.24 135.00 142.48 2xf2 s PRO 97 Ca -0.09 1.69 0.01 0.00 0.02 0.00 0.00 61.00 62.64 2xf2 s PRO 97 Cb -0.14 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 32.42 2xf2 s PRO 97 CO -0.02 -1.26 -0.06 -1.64 -0.33 0.00 0.00 177.00 173.70 2xf2 s MET 98 N -3.57 0.70 -0.01 5.54 -1.94 -0.20 -1.04 119.30 118.77 2xf2 s MET 98 Ca 0.74 -1.15 0.02 0.00 -1.71 0.00 0.00 55.69 53.60 2xf2 s MET 98 Cb -0.27 -0.13 -0.00 0.00 2.01 0.00 0.00 34.83 36.44 2xf2 s MET 98 CO 0.36 -0.02 -0.08 0.12 -0.01 0.00 0.00 175.02 175.39 2xf2 s PHE 99 N -3.06 0.76 -0.03 -0.03 5.36 -0.82 -1.60 117.98 118.55 2xf2 s PHE 99 Ca 0.05 -0.16 0.03 0.00 -0.96 0.00 0.00 56.93 55.89 2xf2 s PHE 99 Cb 0.02 -0.52 -0.00 0.00 -0.34 0.00 0.00 43.02 42.18 2xf2 s PHE 99 CO -0.04 -0.04 -0.12 0.99 -1.46 0.00 0.00 175.22 174.54 2xf2 s THR 100 N -0.01 1.04 -0.05 0.12 2.01 -0.06 -0.53 115.64 118.15 2xf2 s THR 100 Ca 0.00 -0.51 0.04 0.00 0.31 0.00 0.00 61.69 61.54 2xf2 s THR 100 Cb -0.05 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.55 2xf2 s THR 100 CO -0.00 0.31 -0.17 -0.60 -0.69 0.00 0.00 174.62 173.47 2xf2 s ARG 101 N 0.10 1.88 0.14 4.92 3.52 -0.30 -0.88 118.95 128.33 2xf2 s ARG 101 Ca -0.03 -0.59 0.07 0.00 -0.13 0.00 0.00 55.73 55.06 2xf2 s ARG 101 Cb -0.09 -1.59 -0.04 0.00 -1.56 0.00 0.00 34.95 31.67 2xf2 s ARG 101 CO 0.01 0.18 -0.04 -0.06 -0.81 0.00 0.00 175.30 174.59 2xf2 s PHE 102 N 0.22 2.82 0.22 5.12 0.08 0.32 -1.21 117.98 125.55 2xf2 s PHE 102 Ca -0.08 -0.13 -0.23 0.00 0.12 0.00 0.00 56.93 56.61 2xf2 s PHE 102 Cb -0.13 -1.41 0.04 0.00 -0.57 0.00 0.00 43.02 40.95 2xf2 s PHE 102 CO 0.03 0.49 0.83 -1.54 -0.10 0.00 0.00 175.22 174.93 2xf2 s SER 103 N -2.62 -0.23 0.38 1.36 1.04 -0.97 -0.79 113.70 111.88 2xf2 s SER 103 Ca 0.25 -0.51 0.03 0.00 0.48 0.00 0.00 55.95 56.20 2xf2 s SER 103 Cb -0.10 0.62 0.05 0.00 0.10 0.00 0.00 66.02 66.69 2xf2 s SER 103 CO 0.17 -1.14 0.42 0.35 0.98 0.00 0.00 173.24 174.02 2xf2 n THR 104 N -0.46 0.00 -0.06 2.02 -2.24 -0.77 -0.28 114.28 112.48 2xf2 n THR 104 Ca -0.05 -0.85 -0.13 0.00 -2.27 0.00 0.00 64.05 60.75 2xf2 n THR 104 Cb 0.60 -0.91 -0.04 0.00 -2.10 0.00 0.00 70.33 67.87 2xf2 n THR 104 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2xf2 n VAL 105 N -1.78 0.79 0.08 2.28 0.31 -1.21 -3.67 118.33 115.13 2xf2 n VAL 105 Ca 0.08 -0.12 -0.23 0.00 -0.01 0.00 0.00 64.34 64.06 2xf2 n VAL 105 Cb 0.28 -1.71 -0.15 0.00 -0.91 0.00 0.00 33.84 31.36 2xf2 n VAL 105 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2xf2 h ALA 106 N -0.46 0.11 -2.50 3.52 0.00 -1.96 -0.86 119.26 117.11 2xf2 h ALA 106 Ca -0.29 -1.09 -0.50 0.00 0.00 0.00 0.00 54.91 53.03 2xf2 h ALA 106 Cb 1.19 0.39 0.07 0.00 0.00 0.00 0.00 17.79 19.44 2xf2 h ALA 106 CO -0.18 0.98 0.41 0.20 0.00 0.00 0.00 179.25 180.66 2xf2 s GLY 107 N -5.02 2.45 1.01 0.00 0.00 -1.26 -4.69 107.32 99.81 2xf2 s GLY 107 Ca -0.14 0.69 -0.15 0.00 0.00 0.00 0.00 44.72 45.11 2xf2 s GLY 107 CO 0.87 1.03 1.17 -0.56 0.00 0.00 0.00 173.10 175.61 2xf2 s SER 108 N -2.09 2.63 -0.18 1.64 0.01 -1.26 -3.99 113.70 110.46 2xf2 s SER 108 Ca 0.70 0.73 -0.36 0.00 1.31 0.00 0.00 55.95 58.33 2xf2 s SER 108 Cb -0.21 -1.11 -0.13 0.00 0.21 0.00 0.00 66.02 64.78 2xf2 s SER 108 CO 0.30 -3.08 1.86 0.54 0.41 0.00 0.00 173.24 173.28 2xf2 n ARG 109 N -4.08 1.75 0.00 12.44 1.74 -1.26 -1.65 116.66 125.59 2xf2 n ARG 109 Ca 0.10 0.63 0.00 0.00 -0.77 0.00 0.00 57.85 57.81 2xf2 n ARG 109 Cb 0.59 -2.45 0.00 0.00 -1.02 0.00 0.00 32.46 29.58 2xf2 n ARG 109 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2xf2 n GLY 110 N 4.50 0.70 3.72 -0.13 0.00 -1.26 -5.05 105.19 107.67 2xf2 n GLY 110 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 2xf2 n GLY 110 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2xf2 s SER 111 N -1.78 3.68 0.33 1.61 1.04 -0.66 -4.97 113.70 112.95 2xf2 s SER 111 Ca 0.00 1.83 -0.28 0.00 0.48 0.00 0.00 55.95 57.98 2xf2 s SER 111 Cb 0.00 -2.45 -0.10 0.00 0.10 0.00 0.00 66.02 63.58 2xf2 s SER 111 CO 0.00 -2.56 1.21 0.00 0.98 0.00 0.00 173.24 172.87 2xf2 s ALA 112 N -2.82 3.39 0.37 5.32 0.00 -1.26 -4.92 121.76 121.83 2xf2 s ALA 112 Ca 0.63 1.09 0.05 0.00 0.00 0.00 0.00 51.96 53.73 2xf2 s ALA 112 Cb -0.19 -3.41 0.73 0.00 0.00 0.00 0.00 23.12 20.24 2xf2 s ALA 112 CO 0.57 -0.48 1.99 -0.44 0.00 0.00 0.00 175.76 177.40 2xf2 h ASP 113 N 3.33 0.53 -0.81 0.00 3.32 -1.47 -3.06 116.42 118.25 2xf2 h ASP 113 Ca -0.48 -0.04 -0.38 0.00 0.02 0.00 0.00 57.03 56.15 2xf2 h ASP 113 Cb 1.22 -0.14 -0.23 0.00 0.22 0.00 0.00 39.33 40.41 2xf2 h ASP 113 CO 0.65 0.45 0.48 0.35 -1.72 0.00 0.00 179.24 179.46 2xf2 n THR 114 N -4.40 2.85 -1.79 0.35 -2.24 -1.26 -4.93 114.28 102.86 2xf2 n THR 114 Ca 0.03 -1.61 -0.35 0.00 -2.27 0.00 0.00 64.05 59.86 2xf2 n THR 114 Cb 0.12 -0.50 0.05 0.00 -2.10 0.00 0.00 70.33 67.90 2xf2 n THR 114 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2xf2 s ALA 115 N -2.83 2.40 -0.09 6.98 0.00 -1.16 -4.63 121.76 122.42 2xf2 s ALA 115 Ca 0.50 0.90 -0.30 0.00 0.00 0.00 0.00 51.96 53.06 2xf2 s ALA 115 Cb 0.41 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 20.08 2xf2 s ALA 115 CO 0.10 -1.41 1.07 0.50 0.00 0.00 0.00 175.76 176.02 2xf2 s ARG 116 N -3.63 4.40 0.07 0.00 3.52 -1.26 -4.77 118.95 117.28 2xf2 s ARG 116 Ca 0.75 1.48 -0.27 0.00 -0.13 0.00 0.00 55.73 57.55 2xf2 s ARG 116 Cb -0.28 -3.55 0.09 0.00 -1.56 0.00 0.00 34.95 29.65 2xf2 s ARG 116 CO 0.38 -0.36 1.03 0.34 -0.81 0.00 0.00 175.30 175.89 2xf2 s ASP 117 N 1.21 -0.18 0.58 -2.12 -1.08 -0.94 -4.76 116.67 109.38 2xf2 s ASP 117 Ca 0.51 -0.25 -0.18 0.00 -0.52 0.00 0.00 52.55 52.11 2xf2 s ASP 117 Cb -0.20 0.38 -0.04 0.00 -1.46 0.00 0.00 42.92 41.60 2xf2 s ASP 117 CO 0.19 -0.68 1.11 -0.69 0.52 0.00 0.00 175.17 175.62 2xf2 s VAL 118 N -3.01 3.27 0.01 1.11 1.01 -1.26 -4.39 120.40 117.14 2xf2 s VAL 118 Ca 0.11 0.70 0.09 0.00 0.00 0.00 0.00 61.98 62.88 2xf2 s VAL 118 Cb 0.00 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 2xf2 s VAL 118 CO -0.02 -0.25 -0.26 -1.00 0.00 0.00 0.00 175.10 173.57 2xf2 s HIS 119 N -2.02 2.33 0.40 5.22 3.76 -1.26 -3.31 115.29 120.41 2xf2 s HIS 119 Ca 0.70 -0.42 -0.17 0.00 -0.15 0.00 0.00 55.06 55.02 2xf2 s HIS 119 Cb -0.22 -1.44 -0.09 0.00 1.11 0.00 0.00 32.58 31.93 2xf2 s HIS 119 CO 0.32 0.05 0.86 0.20 -0.85 0.00 0.00 174.74 175.32 2xf2 s GLY 120 N -0.95 2.27 -0.40 -2.22 0.00 0.61 -0.92 107.32 105.71 2xf2 s GLY 120 Ca 0.11 0.16 0.04 0.00 0.00 0.00 0.00 44.72 45.04 2xf2 s GLY 120 CO 0.01 0.41 0.43 -0.12 0.00 0.00 0.00 173.10 173.83 2xf2 s PHE 121 N -2.20 -0.30 -0.21 1.90 2.19 -0.29 -2.28 117.98 116.80 2xf2 s PHE 121 Ca 0.57 -1.03 -0.05 0.00 0.33 0.00 0.00 56.93 56.75 2xf2 s PHE 121 Cb -0.10 -0.36 -0.02 0.00 -1.31 0.00 0.00 43.02 41.23 2xf2 s PHE 121 CO 0.20 -1.00 0.01 0.00 1.83 0.00 0.00 175.22 176.25 2xf2 s ALA 122 N 1.10 3.04 -0.11 11.12 0.00 -0.35 -0.96 121.76 135.60 2xf2 s ALA 122 Ca 0.22 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 51.18 2xf2 s ALA 122 Cb -0.09 -1.81 0.01 0.00 0.00 0.00 0.00 23.12 21.23 2xf2 s ALA 122 CO -0.06 -0.22 -0.17 0.95 0.00 0.00 0.00 175.76 176.26 2xf2 s THR 123 N 1.12 1.60 -0.16 0.00 -4.23 -0.26 -1.15 115.64 112.56 2xf2 s THR 123 Ca 0.03 -0.71 -0.06 0.00 -1.18 0.00 0.00 61.69 59.77 2xf2 s THR 123 Cb -0.14 -1.44 -0.04 0.00 1.34 0.00 0.00 72.50 72.21 2xf2 s THR 123 CO 0.02 0.46 0.03 -0.60 -0.54 0.00 0.00 174.62 173.99 2xf2 s ARG 124 N 0.87 3.77 -0.26 3.99 3.52 0.31 -0.74 118.95 130.41 2xf2 s ARG 124 Ca -0.09 -0.38 -0.08 0.00 -0.13 0.00 0.00 55.73 55.05 2xf2 s ARG 124 Cb -0.15 -3.09 -0.03 0.00 -1.56 0.00 0.00 34.95 30.12 2xf2 s ARG 124 CO -0.00 0.34 0.10 -0.06 -0.81 0.00 0.00 175.30 174.86 2xf2 s PHE 125 N 0.16 3.11 -1.27 5.12 0.40 0.81 -1.95 117.98 124.36 2xf2 s PHE 125 Ca 0.03 -0.35 -0.15 0.00 -0.60 0.00 0.00 56.93 55.86 2xf2 s PHE 125 Cb -0.13 -2.27 0.13 0.00 0.51 0.00 0.00 43.02 41.26 2xf2 s PHE 125 CO 0.01 -0.34 1.65 0.66 0.70 0.00 0.00 175.22 177.91 2xf2 n TYR 126 N 4.95 4.51 -2.01 0.36 4.01 -0.21 -1.06 117.16 127.72 2xf2 n TYR 126 Ca -0.16 -3.09 -0.29 0.00 -0.16 0.00 0.00 57.90 54.20 2xf2 n TYR 126 Cb 0.51 -2.34 0.05 0.00 -0.31 0.00 0.00 39.34 37.25 2xf2 n TYR 126 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2xf2 s THR 127 N 2.41 3.40 -1.89 -0.72 -4.23 -1.03 -4.41 115.64 109.18 2xf2 s THR 127 Ca 0.46 0.33 0.25 0.00 -1.18 0.00 0.00 61.69 61.55 2xf2 s THR 127 Cb 0.02 -3.43 0.65 0.00 1.34 0.00 0.00 72.50 71.08 2xf2 s THR 127 CO 0.02 -0.54 1.83 -0.90 -0.54 0.00 0.00 174.62 174.49 2xf2 n ASP 128 N -2.93 0.00 -0.72 3.99 3.85 -1.26 -2.17 116.55 117.31 2xf2 n ASP 128 Ca 0.06 -0.64 0.06 0.00 -0.71 0.00 0.00 54.79 53.56 2xf2 n ASP 128 Cb 0.58 -0.05 0.15 0.00 -1.35 0.00 0.00 41.12 40.44 2xf2 n ASP 128 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2xf2 n GLU 129 N -1.05 1.11 0.00 0.11 1.02 -1.26 -4.81 120.64 115.76 2xf2 n GLU 129 Ca 0.17 -2.79 0.00 0.00 -0.02 0.00 0.00 57.16 54.52 2xf2 n GLU 129 Cb 0.10 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 2xf2 n GLU 129 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2xf2 n GLY 130 N -0.74 3.21 3.73 0.62 0.00 -0.92 -4.76 105.19 106.33 2xf2 n GLY 130 Ca 0.15 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 2xf2 n GLY 130 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2xf2 s ASN 131 N 0.00 6.83 -0.14 1.61 0.01 -1.26 -2.46 114.94 119.54 2xf2 s ASN 131 Ca 0.00 2.43 0.01 0.00 -0.71 0.00 0.00 52.86 54.58 2xf2 s ASN 131 Cb 0.00 -2.61 0.02 0.00 0.41 0.00 0.00 41.25 39.07 2xf2 s ASN 131 CO 0.00 -0.59 -0.14 0.12 -1.51 0.00 0.00 177.10 174.98 2xf2 s PHE 132 N 0.37 2.08 -0.13 2.20 5.36 -0.22 -4.06 117.98 123.58 2xf2 s PHE 132 Ca 0.59 -1.12 -0.01 0.00 -0.96 0.00 0.00 56.93 55.44 2xf2 s PHE 132 Cb -0.38 -1.53 -0.02 0.00 -0.34 0.00 0.00 43.02 40.75 2xf2 s PHE 132 CO 0.37 -0.61 -0.11 -0.51 -1.46 0.00 0.00 175.22 172.90 2xf2 s ASP 133 N 1.38 4.23 -0.32 6.13 1.01 -0.73 -0.13 116.67 128.24 2xf2 s ASP 133 Ca 0.02 -0.25 -0.08 0.00 0.71 0.00 0.00 52.55 52.95 2xf2 s ASP 133 Cb -0.13 -1.57 0.02 0.00 1.01 0.00 0.00 42.92 42.24 2xf2 s ASP 133 CO -0.08 0.19 0.12 -0.63 0.21 0.00 0.00 175.17 174.97 2xf2 s ILE 134 N 0.21 4.12 -0.66 0.77 1.01 0.08 -4.65 121.20 122.09 2xf2 s ILE 134 Ca -0.07 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 59.69 2xf2 s ILE 134 Cb -0.15 -3.20 0.17 0.00 0.01 0.00 0.00 42.46 39.29 2xf2 s ILE 134 CO 0.04 -0.04 0.56 -0.69 0.00 0.00 0.00 174.94 174.82 2xf2 s VAL 135 N 1.50 4.83 0.03 2.92 1.01 -1.26 -1.10 120.40 128.33 2xf2 s VAL 135 Ca 0.02 -2.25 0.00 0.00 0.00 0.00 0.00 61.98 59.74 2xf2 s VAL 135 Cb -0.18 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.13 2xf2 s VAL 135 CO 0.04 -0.91 0.01 0.61 0.00 0.00 0.00 175.10 174.85 2xf2 n GLY 136 N 4.30 3.57 3.30 4.51 0.00 -0.14 -4.93 105.19 115.80 2xf2 n GLY 136 Ca 0.03 -2.20 -0.16 0.00 0.00 0.00 0.00 46.02 43.70 2xf2 n GLY 136 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2xf2 s ASN 137 N -1.16 1.03 0.00 1.61 0.01 -0.57 -1.13 114.94 114.72 2xf2 s ASN 137 Ca 0.01 -1.39 0.18 0.00 -0.71 0.00 0.00 52.86 50.95 2xf2 s ASN 137 Cb -0.00 0.21 0.79 0.00 0.41 0.00 0.00 41.25 42.66 2xf2 s ASN 137 CO 0.01 -0.76 1.55 -0.46 -1.51 0.00 0.00 177.10 175.93 2xf2 n ASN 138 N -0.45 1.07 -4.10 -1.22 6.94 -0.10 -0.86 115.26 116.54 2xf2 n ASN 138 Ca 0.00 -1.65 -0.23 0.00 -0.02 0.00 0.00 54.58 52.68 2xf2 n ASN 138 Cb 0.66 -0.08 -0.15 0.00 -2.36 0.00 0.00 39.78 37.85 2xf2 n ASN 138 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2xf2 s ILE 139 N -1.85 1.16 -1.67 1.53 1.01 -1.26 -4.66 121.20 115.46 2xf2 s ILE 139 Ca 0.28 -0.60 0.29 0.00 0.00 0.00 0.00 60.65 60.63 2xf2 s ILE 139 Cb 0.15 -0.99 0.50 0.00 0.01 0.00 0.00 42.46 42.14 2xf2 s ILE 139 CO 0.23 0.34 1.91 -0.81 0.00 0.00 0.00 174.94 176.60 2xf2 n PRO 140 N 2.96 0.71 -4.27 2.79 -0.04 -1.26 -4.73 135.00 131.16 2xf2 n PRO 140 Ca -0.16 -0.21 -0.20 0.00 -0.04 0.00 0.00 63.50 62.90 2xf2 n PRO 140 Cb 0.54 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.39 2xf2 n PRO 140 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2xf2 s VAL 141 N -2.43 1.49 0.31 0.52 -7.23 -1.26 -4.39 120.40 107.41 2xf2 s VAL 141 Ca 0.31 -1.72 0.10 0.00 -1.81 0.00 0.00 61.98 58.86 2xf2 s VAL 141 Cb 0.20 -1.59 -0.05 0.00 0.56 0.00 0.00 36.38 35.50 2xf2 s VAL 141 CO 0.46 -0.33 -0.11 0.12 -0.31 0.00 0.00 175.10 174.93 2xf2 s PHE 142 N -1.94 2.42 0.38 2.82 5.36 -0.47 -4.72 117.98 121.82 2xf2 s PHE 142 Ca 0.10 -0.39 0.07 0.00 -0.96 0.00 0.00 56.93 55.74 2xf2 s PHE 142 Cb -0.06 -1.23 0.77 0.00 -0.34 0.00 0.00 43.02 42.15 2xf2 s PHE 142 CO 0.04 0.62 1.98 0.74 -1.46 0.00 0.00 175.22 177.14 2xf2 h PHE 143 N 2.06 0.49 -3.24 10.12 0.04 -1.87 -3.39 116.94 121.16 2xf2 h PHE 143 Ca -0.42 -0.02 -0.37 0.00 2.80 0.00 0.00 57.97 59.97 2xf2 h PHE 143 Cb 1.25 -0.15 -0.15 0.00 2.20 0.00 0.00 35.95 39.10 2xf2 h PHE 143 CO 0.76 0.40 -0.72 0.96 -0.60 0.00 0.00 178.31 179.11 2xf2 s ILE 144 N -5.21 1.36 -1.46 -0.55 -4.36 -1.26 -1.96 121.20 107.76 2xf2 s ILE 144 Ca -0.08 -2.09 0.13 0.00 -0.26 0.00 0.00 60.65 58.36 2xf2 s ILE 144 Cb 0.16 -1.89 0.06 0.00 1.25 0.00 0.00 42.46 42.05 2xf2 s ILE 144 CO 0.74 -0.68 0.85 0.00 0.24 0.00 0.00 174.94 176.09 2xf2 n GLN 145 N -0.21 1.24 -3.75 0.37 6.02 -1.26 -4.76 117.38 115.03 2xf2 n GLN 145 Ca -0.10 -1.06 -0.13 0.00 -0.01 0.00 0.00 57.00 55.70 2xf2 n GLN 145 Cb 0.60 -1.22 -0.13 0.00 1.02 0.00 0.00 30.24 30.52 2xf2 n GLN 145 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2xf2 s ASP 146 N -1.28 -0.24 0.56 1.08 -1.08 -1.26 -3.66 116.67 110.80 2xf2 s ASP 146 Ca 0.14 0.48 0.24 0.00 -0.52 0.00 0.00 52.55 52.88 2xf2 s ASP 146 Cb 0.11 0.40 1.58 0.00 -1.46 0.00 0.00 42.92 43.54 2xf2 s ASP 146 CO 0.22 -0.13 2.19 0.00 0.52 0.00 0.00 175.17 177.97 2xf2 h ALA 147 N 6.74 1.77 0.00 3.66 0.00 -1.71 -2.11 119.26 127.61 2xf2 h ALA 147 Ca -0.36 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 2xf2 h ALA 147 Cb 1.17 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2xf2 h ALA 147 CO 0.38 -0.05 -0.02 0.97 0.00 0.00 0.00 179.25 180.52 2xf2 h ILE 148 N 0.00 0.15 -0.00 0.00 2.10 -1.94 -1.04 117.51 116.77 2xf2 h ILE 148 Ca 0.02 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 65.75 2xf2 h ILE 148 Cb 0.08 1.17 0.00 0.00 -1.09 0.00 0.00 36.82 36.99 2xf2 h ILE 148 CO -0.00 0.02 -0.05 0.18 -1.08 0.00 0.00 178.15 177.22 2xf2 n LEU 149 N -3.25 0.54 -0.11 2.19 4.77 -0.79 -4.39 117.00 115.95 2xf2 n LEU 149 Ca -0.02 -0.09 -0.08 0.00 -0.03 0.00 0.00 56.01 55.79 2xf2 n LEU 149 Cb 0.15 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 2xf2 n LEU 149 CO 0.24 0.09 1.02 0.15 -1.33 0.00 0.00 177.39 177.56 2xf2 h PHE 150 N 0.76 0.47 0.00 -1.77 3.57 -1.34 -1.64 116.94 116.98 2xf2 h PHE 150 Ca 0.00 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 2xf2 h PHE 150 Cb 0.29 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 2xf2 h PHE 150 CO 0.00 0.30 -0.12 -1.35 -2.23 0.00 0.00 178.31 174.91 2xf2 h PRO 151 N 0.49 0.00 0.09 6.41 0.11 -1.81 0.15 132.00 137.45 2xf2 h PRO 151 Ca 0.13 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 2xf2 h PRO 151 Cb -0.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.07 2xf2 h PRO 151 CO -0.03 0.12 -0.04 -0.44 -0.21 0.00 0.00 178.00 177.40 2xf2 h ASP 152 N 0.00 -0.10 -0.18 -2.05 5.19 -1.67 -0.37 116.42 117.24 2xf2 h ASP 152 Ca -0.00 -0.36 0.04 0.00 -0.62 0.00 0.00 57.03 56.09 2xf2 h ASP 152 Cb 0.28 0.03 -0.04 0.00 0.18 0.00 0.00 39.33 39.77 2xf2 h ASP 152 CO 0.02 0.33 -0.10 0.25 -3.12 0.00 0.00 179.24 176.62 2xf2 h LEU 153 N -0.55 -0.32 -0.31 1.55 5.85 -1.04 -1.01 115.31 119.48 2xf2 h LEU 153 Ca -0.01 0.08 -0.15 0.00 0.84 0.00 0.00 57.88 58.64 2xf2 h LEU 153 Cb 0.46 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 2xf2 h LEU 153 CO 0.02 -0.13 -0.37 0.40 -0.34 0.00 0.00 178.44 178.02 2xf2 h ILE 154 N -0.08 1.29 -0.76 4.05 1.08 -1.00 -1.23 117.51 120.86 2xf2 h ILE 154 Ca 0.10 -1.55 0.01 0.00 -0.39 0.00 0.00 64.86 63.03 2xf2 h ILE 154 Cb 0.23 1.55 -0.04 0.00 -3.07 0.00 0.00 36.82 35.49 2xf2 h ILE 154 CO -0.24 0.51 0.50 0.45 -0.69 0.00 0.00 178.15 178.69 2xf2 h HIS 155 N 0.58 0.95 -0.51 1.37 3.86 -0.95 -0.02 115.15 120.42 2xf2 h HIS 155 Ca 0.04 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.15 2xf2 h HIS 155 Cb 0.96 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 29.10 2xf2 h HIS 155 CO 0.07 0.59 -0.15 0.00 0.86 0.00 0.00 177.93 179.30 2xf2 h ALA 156 N 1.53 0.71 0.08 2.45 0.00 -0.71 -3.29 119.26 120.02 2xf2 h ALA 156 Ca 0.28 -0.37 -0.26 0.00 0.00 0.00 0.00 54.91 54.56 2xf2 h ALA 156 Cb -0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2xf2 h ALA 156 CO -0.07 0.65 -1.27 -0.39 0.00 0.00 0.00 179.25 178.17 2xf2 h VAL 157 N 0.87 1.43 -3.76 0.00 -1.51 -0.90 -2.68 116.25 109.71 2xf2 h VAL 157 Ca 0.13 -3.09 -0.45 0.00 -1.23 0.00 0.00 66.70 62.06 2xf2 h VAL 157 Cb 0.72 2.83 0.17 0.00 -2.13 0.00 0.00 31.29 32.88 2xf2 h VAL 157 CO 0.06 0.87 0.16 -0.54 -1.23 0.00 0.00 177.57 176.88 2xf2 s LYS 158 N -2.66 0.16 0.76 5.19 1.02 -0.05 -4.59 119.74 119.56 2xf2 s LYS 158 Ca -0.04 0.60 -0.15 0.00 0.02 0.00 0.00 55.97 56.40 2xf2 s LYS 158 Cb 0.08 -1.70 0.04 0.00 -0.52 0.00 0.00 37.83 35.74 2xf2 s LYS 158 CO 0.85 -2.93 1.14 -2.30 -0.92 0.00 0.00 175.35 171.19 2xf2 n PRO 159 N -4.33 0.43 -1.94 -1.68 -0.02 -1.26 -4.84 135.00 121.36 2xf2 n PRO 159 Ca 0.05 0.21 -0.40 0.00 -2.02 0.00 0.00 63.50 61.34 2xf2 n PRO 159 Cb 0.56 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 2xf2 n PRO 159 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2xf2 s ARG 160 N -3.76 3.94 0.54 -0.52 3.52 -0.20 -4.74 118.95 117.72 2xf2 s ARG 160 Ca 0.75 2.31 0.21 0.00 -0.13 0.00 0.00 55.73 58.87 2xf2 s ARG 160 Cb -0.32 -2.79 1.39 0.00 -1.56 0.00 0.00 34.95 31.67 2xf2 s ARG 160 CO 0.49 -0.57 2.13 0.78 -0.81 0.00 0.00 175.30 177.31 2xf2 h GLY 161 N 2.69 0.00 1.05 8.12 0.00 -1.91 0.83 103.07 113.85 2xf2 h GLY 161 Ca -0.50 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.51 2xf2 h GLY 161 CO 0.63 0.00 -1.46 1.29 0.00 0.00 0.00 176.54 177.00 2xf2 h ASP 162 N 0.00 0.72 0.00 0.19 2.03 -1.97 -3.41 116.42 113.98 2xf2 h ASP 162 Ca 0.06 -0.93 0.00 0.00 -0.73 0.00 0.00 57.03 55.43 2xf2 h ASP 162 Cb 0.25 -0.23 0.00 0.00 -0.83 0.00 0.00 39.33 38.52 2xf2 h ASP 162 CO -0.00 1.69 0.00 -0.46 -1.03 0.00 0.00 179.24 179.44 2xf2 n ASN 163 N -3.76 0.77 -3.81 4.15 0.23 -1.15 -5.02 115.26 106.67 2xf2 n ASN 163 Ca -0.19 -0.95 -0.23 0.00 -0.53 0.00 0.00 54.58 52.68 2xf2 n ASN 163 Cb 1.05 0.08 0.01 0.00 -2.08 0.00 0.00 39.78 38.83 2xf2 n ASN 163 CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00 2xf2 n GLN 164 N -0.08 -4.03 -4.57 -3.83 7.27 0.27 -4.97 117.38 107.44 2xf2 n GLN 164 Ca 0.00 0.52 -0.22 0.00 0.07 0.00 0.00 57.00 57.37 2xf2 n GLN 164 Cb 0.04 -4.85 -0.15 0.00 2.41 0.00 0.00 30.24 27.69 2xf2 n GLN 164 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2xf2 s ILE 165 N -3.79 1.11 0.12 1.69 1.01 -1.26 -4.60 121.20 115.47 2xf2 s ILE 165 Ca 0.02 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 60.00 2xf2 s ILE 165 Cb -0.01 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 2xf2 s ILE 165 CO 0.85 0.24 0.17 -2.16 0.00 0.00 0.00 174.94 174.03 2xf2 s PRO 166 N -0.53 3.13 0.14 2.79 0.04 -1.26 -1.03 135.00 138.28 2xf2 s PRO 166 Ca 0.05 -0.68 -0.30 0.00 0.04 0.00 0.00 61.00 60.11 2xf2 s PRO 166 Cb -0.06 -2.82 -0.08 0.00 0.04 0.00 0.00 34.50 31.59 2xf2 s PRO 166 CO -0.00 0.54 1.25 -1.14 0.04 0.00 0.00 177.00 177.69 2xf2 s GLN 167 N -2.83 4.43 -1.35 4.56 2.00 -1.26 -4.01 119.66 121.19 2xf2 s GLN 167 Ca 0.32 1.92 -0.04 0.00 -2.00 0.00 0.00 55.36 55.56 2xf2 s GLN 167 Cb -0.11 -3.26 -0.00 0.00 0.80 0.00 0.00 33.01 30.44 2xf2 s GLN 167 CO 0.25 -0.23 0.51 0.00 -0.50 0.00 0.00 175.29 175.32 2xf2 n ALA 168 N 3.14 -2.10 -3.50 1.58 0.00 -1.26 -4.95 120.51 113.42 2xf2 n ALA 168 Ca 0.07 -0.26 -0.13 0.00 0.00 0.00 0.00 53.44 53.12 2xf2 n ALA 168 Cb 0.44 -1.94 -0.09 0.00 0.00 0.00 0.00 19.45 17.87 2xf2 n ALA 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xf2 s ALA 169 N -3.85 -1.41 -2.59 0.00 0.00 -1.26 -4.57 121.76 108.08 2xf2 s ALA 169 Ca 0.08 1.66 0.25 0.00 0.00 0.00 0.00 51.96 53.94 2xf2 s ALA 169 Cb -0.03 -0.97 0.68 0.00 0.00 0.00 0.00 23.12 22.80 2xf2 s ALA 169 CO 0.88 -0.28 1.53 0.25 0.00 0.00 0.00 175.76 178.14 2xf2 n THR 170 N 3.01 0.10 -1.30 0.00 -2.24 -1.26 -4.72 114.28 107.88 2xf2 n THR 170 Ca -0.15 -0.40 -0.38 0.00 -2.27 0.00 0.00 64.05 60.85 2xf2 n THR 170 Cb 0.56 0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 69.57 2xf2 n THR 170 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2xf2 n ALA 171 N 0.69 7.17 -3.27 6.98 0.00 -1.26 -4.49 120.51 126.33 2xf2 n ALA 171 Ca 0.17 -3.44 -0.12 0.00 0.00 0.00 0.00 53.44 50.06 2xf2 n ALA 171 Cb 0.45 -3.36 -0.03 0.00 0.00 0.00 0.00 19.45 16.50 2xf2 n ALA 171 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2xf2 s HIS 172 N 2.37 -0.42 0.19 0.00 -0.00 -1.26 -4.78 115.29 111.39 2xf2 s HIS 172 Ca 0.66 0.18 -0.14 0.00 -0.00 0.00 0.00 55.06 55.76 2xf2 s HIS 172 Cb 0.17 0.45 0.20 0.00 -0.00 0.00 0.00 32.58 33.40 2xf2 s HIS 172 CO -0.06 -0.79 1.65 -0.44 -0.00 0.00 0.00 174.74 175.10 2xf2 h ASP 173 N 2.16 -0.41 -0.49 7.38 5.19 -1.87 -2.77 116.42 125.60 2xf2 h ASP 173 Ca -0.34 0.15 -0.02 0.00 -0.62 0.00 0.00 57.03 56.20 2xf2 h ASP 173 Cb 1.29 0.30 -0.03 0.00 0.18 0.00 0.00 39.33 41.07 2xf2 h ASP 173 CO 0.41 -0.15 0.23 0.77 -3.12 0.00 0.00 179.24 177.38 2xf2 h SER 174 N 0.04 0.69 -0.06 6.45 4.64 -1.93 0.11 113.55 123.48 2xf2 h SER 174 Ca 0.27 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.50 2xf2 h SER 174 Cb 0.41 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2xf2 h SER 174 CO -0.53 0.61 -0.00 0.00 -0.87 0.00 0.00 176.83 176.04 2xf2 h ALA 175 N 1.50 0.08 0.00 5.18 0.00 -1.18 -1.03 119.26 123.81 2xf2 h ALA 175 Ca 0.19 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2xf2 h ALA 175 Cb 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2xf2 h ALA 175 CO -0.02 -0.24 -0.37 -1.49 0.00 0.00 0.00 179.25 177.13 2xf2 h TRP 176 N -0.21 0.00 0.09 0.00 4.06 -1.48 -0.85 115.95 117.56 2xf2 h TRP 176 Ca 0.02 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.96 2xf2 h TRP 176 Cb 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.52 2xf2 h TRP 176 CO 0.04 0.37 -0.04 0.22 -3.56 0.00 0.00 178.44 175.47 2xf2 h ASP 177 N 0.00 -0.10 -0.13 -3.49 3.58 -0.60 -1.62 116.42 114.06 2xf2 h ASP 177 Ca -0.00 -0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.37 2xf2 h ASP 177 Cb 0.88 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.95 2xf2 h ASP 177 CO 0.05 0.01 0.06 0.15 -2.88 0.00 0.00 179.24 176.63 2xf2 h PHE 178 N -0.21 0.18 -0.83 0.28 3.57 -0.83 -0.77 116.94 118.32 2xf2 h PHE 178 Ca -0.01 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.56 2xf2 h PHE 178 Cb 0.17 -0.06 -0.07 0.00 2.79 0.00 0.00 35.95 38.79 2xf2 h PHE 178 CO -0.04 0.22 0.49 0.74 -2.23 0.00 0.00 178.31 177.48 2xf2 h PHE 179 N 0.09 0.89 0.00 0.41 0.04 -1.13 0.06 116.94 117.30 2xf2 h PHE 179 Ca 0.04 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.77 2xf2 h PHE 179 Cb 0.10 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 37.97 2xf2 h PHE 179 CO -0.03 0.39 -0.34 0.66 -0.60 0.00 0.00 178.31 178.39 2xf2 h SER 180 N 0.84 0.00 1.60 2.17 4.64 -1.11 -3.13 113.55 118.56 2xf2 h SER 180 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 2xf2 h SER 180 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2xf2 h SER 180 CO -0.22 0.34 -0.31 1.56 -0.87 0.00 0.00 176.83 177.32 2xf2 h GLN 181 N 0.00 0.00 -2.74 4.77 1.08 -0.50 -3.41 115.11 114.32 2xf2 h GLN 181 Ca -0.00 0.00 -0.61 0.00 -1.45 0.00 0.00 58.65 56.59 2xf2 h GLN 181 Cb 1.22 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 28.25 2xf2 h GLN 181 CO 0.04 0.00 -0.77 -1.14 -0.95 0.00 0.00 178.83 176.02 2xf2 s GLN 182 N -3.24 1.71 0.10 1.46 2.00 -0.05 -4.99 119.66 116.66 2xf2 s GLN 182 Ca 0.05 -2.75 0.09 0.00 -2.00 0.00 0.00 55.36 50.76 2xf2 s GLN 182 Cb 0.07 -2.45 0.46 0.00 0.80 0.00 0.00 33.01 31.89 2xf2 s GLN 182 CO 0.70 -1.34 1.29 -0.35 -0.50 0.00 0.00 175.29 175.09 2xf2 n PRO 183 N 2.39 0.05 0.16 1.67 -0.04 -1.25 -1.64 135.00 136.34 2xf2 n PRO 183 Ca 0.25 0.50 0.17 0.00 -0.04 0.00 0.00 63.50 64.37 2xf2 n PRO 183 Cb 0.41 -1.65 0.77 0.00 -0.04 0.00 0.00 33.50 33.00 2xf2 n PRO 183 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2xf2 h SER 184 N 0.00 0.00 0.53 3.54 4.64 -1.87 -1.84 113.55 118.55 2xf2 h SER 184 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2xf2 h SER 184 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2xf2 h SER 184 CO 0.00 0.00 0.00 -0.37 -0.87 0.00 0.00 176.83 175.59 2xf2 h VAL 185 N 0.00 0.00 -0.92 0.95 -1.51 -0.64 -3.35 116.25 110.78 2xf2 h VAL 185 Ca 0.12 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 2xf2 h VAL 185 Cb 0.59 1.02 -0.05 0.00 -2.13 0.00 0.00 31.29 30.73 2xf2 h VAL 185 CO -0.00 0.00 0.59 -0.07 -1.23 0.00 0.00 177.57 176.86 2xf2 h LEU 186 N 0.00 1.07 0.39 4.19 3.38 -1.56 -1.28 115.31 121.50 2xf2 h LEU 186 Ca 0.00 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2xf2 h LEU 186 Cb 0.27 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2xf2 h LEU 186 CO 0.00 0.79 -0.19 -0.74 0.09 0.00 0.00 178.44 178.39 2xf2 h HIS 187 N 1.26 -0.49 -0.69 1.13 2.76 -1.81 -1.77 115.15 115.54 2xf2 h HIS 187 Ca 0.34 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.50 2xf2 h HIS 187 Cb -0.12 0.16 -0.03 0.00 1.55 0.00 0.00 27.41 28.97 2xf2 h HIS 187 CO 0.00 -0.24 0.46 1.15 -1.30 0.00 0.00 177.93 178.00 2xf2 h THR 188 N -0.64 1.18 -0.47 6.26 2.02 -1.80 -2.39 112.91 117.07 2xf2 h THR 188 Ca -0.05 -0.32 0.03 0.00 0.77 0.00 0.00 66.41 66.83 2xf2 h THR 188 Cb 0.47 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.00 2xf2 h THR 188 CO 0.09 0.17 0.26 0.25 0.37 0.00 0.00 175.52 176.66 2xf2 h LEU 189 N 0.93 0.40 -0.81 2.58 5.85 -0.95 -0.37 115.31 122.95 2xf2 h LEU 189 Ca 0.25 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 2xf2 h LEU 189 Cb -0.11 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 2xf2 h LEU 189 CO -0.05 0.28 0.41 -0.07 -0.34 0.00 0.00 178.44 178.67 2xf2 h LEU 190 N 0.52 1.04 -0.63 2.25 4.07 -0.82 -0.24 115.31 121.50 2xf2 h LEU 190 Ca 0.20 -0.12 -0.01 0.00 0.08 0.00 0.00 57.88 58.02 2xf2 h LEU 190 Cb 0.06 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.50 2xf2 h LEU 190 CO -0.11 0.87 0.34 -0.50 -1.08 0.00 0.00 178.44 177.96 2xf2 h TRP 191 N 1.14 0.86 0.00 1.13 4.06 -1.12 -1.76 115.95 120.26 2xf2 h TRP 191 Ca 0.28 -0.02 -0.10 0.00 2.06 0.00 0.00 58.89 61.11 2xf2 h TRP 191 Cb 0.09 -0.28 -0.01 0.00 -1.00 0.00 0.00 29.16 27.96 2xf2 h TRP 191 CO 0.01 0.62 -0.47 0.00 -3.56 0.00 0.00 178.44 175.04 2xf2 h ALA 192 N 1.16 0.95 0.00 1.49 0.00 -0.56 -2.57 119.26 119.74 2xf2 h ALA 192 Ca 0.22 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2xf2 h ALA 192 Cb 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2xf2 h ALA 192 CO -0.04 0.59 -0.23 -1.33 0.00 0.00 0.00 179.25 178.24 2xf2 n MET 193 N -3.59 0.17 -0.34 0.00 2.81 -0.15 -3.38 117.12 112.64 2xf2 n MET 193 Ca -0.00 0.10 -0.01 0.00 -1.81 0.00 0.00 57.70 55.97 2xf2 n MET 193 Cb 0.56 -1.66 0.01 0.00 -0.71 0.00 0.00 33.22 31.42 2xf2 n MET 193 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2xf2 n ALA 194 N -1.69 -0.03 0.28 3.04 0.00 -0.68 -3.83 120.51 117.60 2xf2 n ALA 194 Ca 0.05 -0.07 0.17 0.00 0.00 0.00 0.00 53.44 53.59 2xf2 n ALA 194 Cb 0.40 0.00 0.93 0.00 0.00 0.00 0.00 19.45 20.78 2xf2 n ALA 194 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2xf2 h GLY 195 N -0.05 0.00 2.00 0.00 0.00 -1.88 -2.54 103.07 100.60 2xf2 h GLY 195 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 2xf2 h GLY 195 CO 0.01 0.00 -0.04 0.45 0.00 0.00 0.00 176.54 176.96 2xf2 h HIS 196 N 0.00 0.00 0.00 5.60 -0.00 -1.87 -1.66 115.15 117.23 2xf2 h HIS 196 Ca 0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.37 2xf2 h HIS 196 Cb 0.17 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.57 2xf2 h HIS 196 CO 0.00 0.04 -0.13 0.78 -0.00 0.00 0.00 177.93 178.62 2xf2 h GLY 197 N 1.01 0.00 -5.96 2.45 0.00 -1.46 -3.38 103.07 95.73 2xf2 h GLY 197 Ca -0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 2xf2 h GLY 197 CO 0.01 0.00 -1.04 0.29 0.00 0.00 0.00 176.54 175.80 2xf2 n ILE 198 N -3.17 0.19 -1.66 2.60 -5.35 -0.63 -2.21 119.36 109.14 2xf2 n ILE 198 Ca 0.02 -4.50 -0.32 0.00 -0.27 0.00 0.00 62.75 57.68 2xf2 n ILE 198 Cb 0.49 -1.34 0.05 0.00 -1.74 0.00 0.00 39.64 37.11 2xf2 n ILE 198 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 2xf2 s PRO 199 N -1.98 2.73 0.28 6.28 0.04 -1.21 -0.70 135.00 140.44 2xf2 s PRO 199 Ca 0.39 1.30 0.03 0.00 0.04 0.00 0.00 61.00 62.75 2xf2 s PRO 199 Cb 0.24 -1.95 0.42 0.00 0.04 0.00 0.00 34.50 33.25 2xf2 s PRO 199 CO -0.09 -1.30 1.72 -0.09 0.04 0.00 0.00 177.00 177.28 2xf2 h ARG 200 N -0.24 0.45 -2.42 4.56 9.65 -1.19 -3.42 114.38 121.75 2xf2 h ARG 200 Ca -0.46 -0.17 0.16 0.00 -1.10 0.00 0.00 59.98 58.41 2xf2 h ARG 200 Cb 1.24 -0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 29.72 2xf2 h ARG 200 CO 0.54 0.69 0.47 -1.54 2.80 0.00 0.00 179.97 182.92 2xf2 s SER 201 N -6.82 -0.16 0.35 -3.80 1.04 -1.26 -4.86 113.70 98.18 2xf2 s SER 201 Ca -0.06 -0.47 0.27 0.00 0.48 0.00 0.00 55.95 56.16 2xf2 s SER 201 Cb 0.14 0.52 1.01 0.00 0.10 0.00 0.00 66.02 67.79 2xf2 s SER 201 CO 0.79 -0.97 1.79 -0.26 0.98 0.00 0.00 173.24 175.57 2xf2 h PHE 202 N 2.00 0.00 0.00 5.02 0.04 -1.91 -2.82 116.94 119.27 2xf2 h PHE 202 Ca -0.24 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.53 2xf2 h PHE 202 Cb 1.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.38 2xf2 h PHE 202 CO 0.51 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 178.22 2xf2 h ARG 203 N 0.00 0.00 -0.69 1.51 3.08 -1.95 -3.33 114.38 113.00 2xf2 h ARG 203 Ca 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.58 2xf2 h ARG 203 Cb 0.52 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 30.27 2xf2 h ARG 203 CO 0.00 0.00 -0.18 0.72 -1.07 0.00 0.00 179.97 179.44 2xf2 n HIS 204 N -2.36 2.37 -4.23 3.04 8.25 -1.06 -4.47 115.22 116.76 2xf2 n HIS 204 Ca 0.05 -2.24 -0.13 0.00 -0.26 0.00 0.00 57.72 55.14 2xf2 n HIS 204 Cb 0.44 -0.66 -0.10 0.00 1.12 0.00 0.00 29.99 30.79 2xf2 n HIS 204 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2xf2 s VAL 205 N -4.25 1.02 0.41 1.59 -7.23 -1.25 -3.24 120.40 107.44 2xf2 s VAL 205 Ca 0.53 -2.02 0.04 0.00 -1.81 0.00 0.00 61.98 58.71 2xf2 s VAL 205 Cb 0.43 -1.81 0.00 0.00 0.56 0.00 0.00 36.38 35.56 2xf2 s VAL 205 CO 0.01 -0.77 0.58 0.20 -0.31 0.00 0.00 175.10 174.81 2xf2 s ASN 206 N -3.13 5.80 0.22 4.85 0.01 -1.26 -4.38 114.94 117.04 2xf2 s ASN 206 Ca 0.16 -0.05 0.11 0.00 -0.71 0.00 0.00 52.86 52.36 2xf2 s ASN 206 Cb 0.03 -1.20 -0.05 0.00 0.41 0.00 0.00 41.25 40.45 2xf2 s ASN 206 CO -0.01 -0.65 -0.20 -0.83 -1.51 0.00 0.00 177.10 173.90 2xf2 s GLY 207 N -4.24 1.69 -0.05 0.66 0.00 0.11 -4.25 107.32 101.24 2xf2 s GLY 207 Ca 0.49 -1.70 -0.07 0.00 0.00 0.00 0.00 44.72 43.44 2xf2 s GLY 207 CO 0.34 -1.77 0.18 -1.36 0.00 0.00 0.00 173.10 170.49 2xf2 s PHE 208 N -2.20 -0.14 -0.80 1.90 0.08 -0.04 -0.09 117.98 116.69 2xf2 s PHE 208 Ca 0.23 0.34 0.26 0.00 0.12 0.00 0.00 56.93 57.89 2xf2 s PHE 208 Cb -0.06 0.04 0.94 0.00 -0.57 0.00 0.00 43.02 43.37 2xf2 s PHE 208 CO 0.11 -0.15 1.80 0.41 -0.10 0.00 0.00 175.22 177.29 2xf2 n GLY 209 N 2.56 -1.59 5.00 4.36 0.00 -0.71 -1.51 105.19 113.30 2xf2 n GLY 209 Ca -0.15 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2xf2 n GLY 209 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2xf2 n VAL 210 N -2.02 0.00 -1.97 1.61 0.31 -1.26 -4.83 118.33 110.17 2xf2 n VAL 210 Ca 0.06 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.05 2xf2 n VAL 210 Cb 0.38 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.33 2xf2 n VAL 210 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2xf2 s HIS 211 N 0.00 2.74 0.04 3.52 3.76 -1.26 -4.90 115.29 119.19 2xf2 s HIS 211 Ca 0.00 1.54 -0.30 0.00 -0.15 0.00 0.00 55.06 56.15 2xf2 s HIS 211 Cb 0.00 -3.15 -0.05 0.00 1.11 0.00 0.00 32.58 30.49 2xf2 s HIS 211 CO 0.00 -1.48 1.25 0.99 -0.85 0.00 0.00 174.74 174.65 2xf2 s THR 212 N -2.23 3.94 0.44 1.30 2.01 -1.26 -4.52 115.64 115.31 2xf2 s THR 212 Ca 0.67 1.36 0.06 0.00 0.31 0.00 0.00 61.69 64.10 2xf2 s THR 212 Cb -0.20 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 2xf2 s THR 212 CO 0.36 0.07 0.19 -0.36 -0.69 0.00 0.00 174.62 174.19 2xf2 s PHE 213 N 1.46 2.37 -0.11 4.92 0.40 -0.38 -4.18 117.98 122.46 2xf2 s PHE 213 Ca 0.60 -0.67 -0.02 0.00 -0.60 0.00 0.00 56.93 56.23 2xf2 s PHE 213 Cb -0.30 -1.91 -0.03 0.00 0.51 0.00 0.00 43.02 41.29 2xf2 s PHE 213 CO 0.28 0.10 -0.02 1.03 0.70 0.00 0.00 175.22 177.32 2xf2 s ARG 214 N -3.95 3.17 -0.08 0.44 0.52 0.03 -0.84 118.95 118.24 2xf2 s ARG 214 Ca 0.36 -0.45 -0.05 0.00 -0.52 0.00 0.00 55.73 55.07 2xf2 s ARG 214 Cb 0.03 -2.81 -0.04 0.00 0.52 0.00 0.00 34.95 32.65 2xf2 s ARG 214 CO 0.20 0.56 0.11 -0.51 0.02 0.00 0.00 175.30 175.68 2xf2 s LEU 215 N -0.49 4.15 -0.05 2.53 1.43 -0.37 -0.87 118.68 125.02 2xf2 s LEU 215 Ca 0.08 0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.54 2xf2 s LEU 215 Cb -0.12 -2.11 0.02 0.00 0.03 0.00 0.00 46.19 44.01 2xf2 s LEU 215 CO 0.02 0.37 -0.06 -0.69 0.23 0.00 0.00 176.35 176.22 2xf2 s VAL 216 N -1.06 0.63 0.69 -1.59 1.01 -0.16 -1.52 120.40 118.40 2xf2 s VAL 216 Ca 0.17 -0.18 -0.06 0.00 0.00 0.00 0.00 61.98 61.91 2xf2 s VAL 216 Cb -0.12 -0.63 0.06 0.00 0.00 0.00 0.00 36.38 35.69 2xf2 s VAL 216 CO 0.07 0.24 0.99 0.42 0.00 0.00 0.00 175.10 176.82 2xf2 s THR 217 N 0.83 2.31 0.45 3.92 -4.23 -0.54 -0.72 115.64 117.66 2xf2 s THR 217 Ca -0.12 -0.31 0.16 0.00 -1.18 0.00 0.00 61.69 60.23 2xf2 s THR 217 Cb -0.14 -2.99 0.33 0.00 1.34 0.00 0.00 72.50 71.04 2xf2 s THR 217 CO 0.01 0.00 1.99 0.44 -0.54 0.00 0.00 174.62 176.52 2xf2 h ASP 218 N -0.54 0.29 -0.39 3.99 3.32 -1.90 -1.34 116.42 119.85 2xf2 h ASP 218 Ca -0.44 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.62 2xf2 h ASP 218 Cb 1.31 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2xf2 h ASP 218 CO 0.59 0.17 0.00 -0.90 -1.72 0.00 0.00 179.24 177.38 2xf2 n ASP 219 N -4.46 2.19 0.00 6.45 5.75 -1.26 -4.93 116.55 120.28 2xf2 n ASP 219 Ca 0.09 -2.03 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 2xf2 n ASP 219 Cb 0.38 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 2xf2 n ASP 219 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2xf2 n GLY 220 N 1.07 0.75 3.77 6.12 0.00 -0.50 -5.05 105.19 111.34 2xf2 n GLY 220 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2xf2 n GLY 220 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2xf2 s LYS 221 N -0.54 4.46 0.16 1.61 1.02 -1.26 -4.55 119.74 120.63 2xf2 s LYS 221 Ca 0.00 1.51 0.08 0.00 0.02 0.00 0.00 55.97 57.58 2xf2 s LYS 221 Cb 0.00 -2.83 -0.04 0.00 -0.52 0.00 0.00 37.83 34.44 2xf2 s LYS 221 CO 0.00 0.13 -0.18 0.95 -0.92 0.00 0.00 175.35 175.32 2xf2 s THR 222 N -1.50 1.81 0.10 2.17 -4.23 -1.26 -1.46 115.64 111.27 2xf2 s THR 222 Ca 0.51 -1.88 0.06 0.00 -1.18 0.00 0.00 61.69 59.20 2xf2 s THR 222 Cb -0.23 -1.82 -0.03 0.00 1.34 0.00 0.00 72.50 71.75 2xf2 s THR 222 CO 0.29 -0.29 -0.16 -0.54 -0.54 0.00 0.00 174.62 173.38 2xf2 s LYS 223 N -2.72 0.99 -0.06 3.99 -0.14 -0.57 -4.70 119.74 116.53 2xf2 s LYS 223 Ca 0.15 -1.13 -0.17 0.00 -1.36 0.00 0.00 55.97 53.46 2xf2 s LYS 223 Cb -0.06 -1.01 -0.05 0.00 -1.68 0.00 0.00 37.83 35.03 2xf2 s LYS 223 CO 0.06 0.21 0.45 -0.51 -0.76 0.00 0.00 175.35 174.80 2xf2 s LEU 224 N -2.10 4.37 0.08 3.17 1.43 0.29 -1.23 118.68 124.69 2xf2 s LEU 224 Ca 0.05 0.88 0.04 0.00 -1.03 0.00 0.00 54.13 54.07 2xf2 s LEU 224 Cb -0.08 -2.65 -0.03 0.00 0.03 0.00 0.00 46.19 43.46 2xf2 s LEU 224 CO 0.03 0.15 -0.11 0.68 0.23 0.00 0.00 176.35 177.33 2xf2 s VAL 225 N -0.15 0.92 -0.12 -1.59 -7.23 -0.02 -0.13 120.40 112.09 2xf2 s VAL 225 Ca 0.25 -1.48 -0.02 0.00 -1.81 0.00 0.00 61.98 58.92 2xf2 s VAL 225 Cb -0.16 -1.18 -0.03 0.00 0.56 0.00 0.00 36.38 35.57 2xf2 s VAL 225 CO 0.12 -0.46 -0.04 -0.54 -0.31 0.00 0.00 175.10 173.87 2xf2 s LYS 226 N -2.37 3.28 0.04 4.82 -0.14 -1.04 -1.25 119.74 123.07 2xf2 s LYS 226 Ca 0.01 -0.51 -0.21 0.00 -1.36 0.00 0.00 55.97 53.90 2xf2 s LYS 226 Cb -0.06 -2.79 -0.06 0.00 -1.68 0.00 0.00 37.83 33.24 2xf2 s LYS 226 CO 0.01 0.44 0.62 -0.06 -0.76 0.00 0.00 175.35 175.60 2xf2 s PHE 227 N -0.18 3.74 0.02 3.18 0.08 -1.26 -1.60 117.98 121.96 2xf2 s PHE 227 Ca 0.03 1.29 0.06 0.00 0.12 0.00 0.00 56.93 58.43 2xf2 s PHE 227 Cb -0.13 -2.62 -0.02 0.00 -0.57 0.00 0.00 43.02 39.69 2xf2 s PHE 227 CO 0.02 0.42 -0.18 -1.01 -0.10 0.00 0.00 175.22 174.38 2xf2 s HIS 228 N -0.52 1.55 -0.34 0.36 3.76 0.28 -1.74 115.29 118.65 2xf2 s HIS 228 Ca 0.32 -0.33 -0.02 0.00 -0.15 0.00 0.00 55.06 54.88 2xf2 s HIS 228 Cb -0.19 -0.95 0.08 0.00 1.11 0.00 0.00 32.58 32.62 2xf2 s HIS 228 CO 0.19 0.03 0.08 -1.58 -0.85 0.00 0.00 174.74 172.61 2xf2 s TRP 229 N -0.64 3.43 -0.39 1.40 0.52 0.87 -0.61 118.94 123.52 2xf2 s TRP 229 Ca 0.06 -2.18 -0.21 0.00 0.02 0.00 0.00 56.10 53.78 2xf2 s TRP 229 Cb -0.08 -2.60 0.01 0.00 -1.15 0.00 0.00 33.47 29.66 2xf2 s TRP 229 CO 0.01 -0.88 0.67 0.15 0.02 0.00 0.00 176.95 176.92 2xf2 s LYS 230 N 1.18 3.56 0.27 4.98 -0.14 0.74 -0.71 119.74 129.62 2xf2 s LYS 230 Ca 0.01 -0.03 -0.29 0.00 -1.36 0.00 0.00 55.97 54.30 2xf2 s LYS 230 Cb -0.21 -3.86 -0.09 0.00 -1.68 0.00 0.00 37.83 31.99 2xf2 s LYS 230 CO -0.03 -0.86 1.26 0.20 -0.76 0.00 0.00 175.35 175.16 2xf2 s GLY 231 N 1.89 2.80 0.00 -3.33 0.00 -1.26 -0.63 107.32 106.79 2xf2 s GLY 231 Ca 0.25 1.11 0.25 0.00 0.00 0.00 0.00 44.72 46.33 2xf2 s GLY 231 CO 0.17 1.88 1.42 1.04 0.00 0.00 0.00 173.10 177.61 2xf2 n LEU 232 N 1.63 2.63 -0.00 0.66 4.77 -0.39 -4.22 117.00 122.07 2xf2 n LEU 232 Ca 0.02 -0.94 -0.21 0.00 -0.03 0.00 0.00 56.01 54.85 2xf2 n LEU 232 Cb 0.43 -0.05 -0.14 0.00 -2.33 0.00 0.00 43.42 41.33 2xf2 n LEU 232 CO 0.57 0.47 -0.84 0.00 -1.33 0.00 0.00 177.39 176.27 2xf2 n GLN 233 N 1.02 0.75 0.00 3.23 3.00 -1.26 -4.43 117.38 119.69 2xf2 n GLN 233 Ca 0.16 0.25 0.00 0.00 -0.01 0.00 0.00 57.00 57.41 2xf2 n GLN 233 Cb 0.52 -1.70 0.00 0.00 0.00 0.00 0.00 30.24 29.06 2xf2 n GLN 233 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2xf2 n GLY 234 N 2.00 3.18 3.73 1.08 0.00 -1.26 -1.40 105.19 112.52 2xf2 n GLY 234 Ca -0.32 -1.94 -0.40 0.00 0.00 0.00 0.00 46.02 43.36 2xf2 n GLY 234 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2xf2 s LYS 235 N -3.16 4.47 -0.03 1.61 1.02 -1.26 -4.34 119.74 118.05 2xf2 s LYS 235 Ca 0.00 1.02 -0.02 0.00 0.02 0.00 0.00 55.97 56.99 2xf2 s LYS 235 Cb 0.00 -3.41 0.02 0.00 -0.52 0.00 0.00 37.83 33.92 2xf2 s LYS 235 CO 0.00 0.15 0.07 0.00 -0.92 0.00 0.00 175.35 174.66 2xf2 s ALA 236 N 0.43 -0.11 0.05 5.17 0.00 -1.20 -4.81 121.76 121.28 2xf2 s ALA 236 Ca 0.39 0.33 -0.01 0.00 0.00 0.00 0.00 51.96 52.67 2xf2 s ALA 236 Cb -0.19 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 2xf2 s ALA 236 CO 0.21 -0.08 -0.01 -1.12 0.00 0.00 0.00 175.76 174.76 2xf2 s SER 237 N 0.60 0.41 0.65 0.00 0.01 -1.26 -0.68 113.70 113.43 2xf2 s SER 237 Ca -0.05 -0.86 -0.03 0.00 1.31 0.00 0.00 55.95 56.32 2xf2 s SER 237 Cb -0.07 0.19 0.06 0.00 0.21 0.00 0.00 66.02 66.41 2xf2 s SER 237 CO -0.02 -0.54 0.92 -0.36 0.41 0.00 0.00 173.24 173.64 2xf2 s PHE 238 N -3.37 2.70 0.33 2.43 0.08 0.12 -4.75 117.98 115.52 2xf2 s PHE 238 Ca 0.02 0.16 0.03 0.00 0.12 0.00 0.00 56.93 57.26 2xf2 s PHE 238 Cb 0.04 -3.02 -0.02 0.00 -0.57 0.00 0.00 43.02 39.45 2xf2 s PHE 238 CO -0.08 -1.26 0.49 0.14 -0.10 0.00 0.00 175.22 174.42 2xf2 s VAL 239 N -3.05 4.78 0.13 -0.44 -7.23 -1.26 -4.87 120.40 108.45 2xf2 s VAL 239 Ca 0.60 -0.74 -0.19 0.00 -1.81 0.00 0.00 61.98 59.84 2xf2 s VAL 239 Cb -0.10 -3.71 -0.02 0.00 0.56 0.00 0.00 36.38 33.11 2xf2 s VAL 239 CO 0.42 -0.37 1.73 -0.25 -0.31 0.00 0.00 175.10 176.32 2xf2 h TRP 240 N 0.85 0.04 -0.07 2.82 -0.00 -1.97 -0.96 115.95 116.67 2xf2 h TRP 240 Ca -0.49 0.02 -0.03 0.00 -0.00 0.00 0.00 58.89 58.38 2xf2 h TRP 240 Cb 1.24 0.02 -0.01 0.00 -0.00 0.00 0.00 29.16 30.41 2xf2 h TRP 240 CO 0.46 -0.01 -0.11 1.05 -0.00 0.00 0.00 178.44 179.84 2xf2 h GLU 241 N 0.11 0.10 -0.05 2.65 9.09 -1.99 -0.55 114.58 123.93 2xf2 h GLU 241 Ca 0.11 -0.02 -0.24 0.00 0.05 0.00 0.00 59.36 59.26 2xf2 h GLU 241 Cb 0.13 -0.02 0.02 0.00 -1.65 0.00 0.00 28.75 27.23 2xf2 h GLU 241 CO -0.17 0.22 -0.91 1.49 0.05 0.00 0.00 179.01 179.68 2xf2 h GLU 242 N 0.10 0.71 -0.81 1.06 4.81 -1.81 -2.29 114.58 116.35 2xf2 h GLU 242 Ca 0.02 -0.69 -0.01 0.00 -0.13 0.00 0.00 59.36 58.55 2xf2 h GLU 242 Cb 0.26 0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 2xf2 h GLU 242 CO 0.02 1.28 0.48 0.00 -0.73 0.00 0.00 179.01 180.06 2xf2 h ALA 243 N 0.44 1.03 -0.42 2.92 0.00 -0.42 -1.48 119.26 121.34 2xf2 h ALA 243 Ca -0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2xf2 h ALA 243 Cb 1.56 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2xf2 h ALA 243 CO 0.18 0.51 0.18 1.96 0.00 0.00 0.00 179.25 182.08 2xf2 h GLN 244 N 1.11 0.62 -0.58 0.00 4.20 -1.14 -2.06 115.11 117.26 2xf2 h GLN 244 Ca 0.29 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.86 2xf2 h GLN 244 Cb -0.03 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 2xf2 h GLN 244 CO -0.05 0.56 0.21 0.37 -0.67 0.00 0.00 178.83 179.25 2xf2 h GLN 245 N 0.54 0.86 -0.60 1.46 4.15 -1.17 -2.14 115.11 118.21 2xf2 h GLN 245 Ca 0.14 -0.14 -0.07 0.00 0.77 0.00 0.00 58.65 59.35 2xf2 h GLN 245 Cb 0.16 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 2xf2 h GLN 245 CO -0.01 0.72 0.09 1.15 -1.93 0.00 0.00 178.83 178.84 2xf2 h THR 246 N 0.84 1.25 -0.21 2.39 2.02 -1.10 -2.30 112.91 115.80 2xf2 h THR 246 Ca 0.20 -0.99 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 2xf2 h THR 246 Cb 0.20 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 2xf2 h THR 246 CO -0.01 0.36 0.07 0.00 0.37 0.00 0.00 175.52 176.31 2xf2 h ALA 247 N 1.18 1.73 0.00 6.16 0.00 -0.70 0.26 119.26 127.89 2xf2 h ALA 247 Ca 0.18 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 2xf2 h ALA 247 Cb 0.41 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2xf2 h ALA 247 CO 0.01 0.22 -0.99 0.78 0.00 0.00 0.00 179.25 179.27 2xf2 h GLY 248 N 0.45 0.00 0.33 0.00 0.00 -1.26 -3.32 103.07 99.27 2xf2 h GLY 248 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.05 2xf2 h GLY 248 CO -0.01 0.00 -2.18 0.28 0.00 0.00 0.00 176.54 174.63 2xf2 n LYS 249 N -3.26 0.68 -3.28 4.80 4.76 -0.90 -4.84 118.16 116.12 2xf2 n LYS 249 Ca -0.02 0.14 -0.12 0.00 -2.87 0.00 0.00 58.31 55.44 2xf2 n LYS 249 Cb 0.90 -1.61 -0.05 0.00 -1.84 0.00 0.00 35.03 32.42 2xf2 n LYS 249 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2xf2 s ASN 250 N -6.05 0.28 0.60 4.39 3.84 0.87 -4.99 114.94 113.88 2xf2 s ASN 250 Ca -0.15 -1.50 0.31 0.00 0.21 0.00 0.00 52.86 51.72 2xf2 s ASN 250 Cb 0.07 0.96 1.76 0.00 -0.55 0.00 0.00 41.25 43.50 2xf2 s ASN 250 CO 0.77 -0.21 2.14 0.00 -2.79 0.00 0.00 177.10 177.02 2xf2 h ALA 251 N 6.77 1.65 -0.58 1.71 0.00 -1.69 -2.03 119.26 125.08 2xf2 h ALA 251 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2xf2 h ALA 251 Cb 1.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2xf2 h ALA 251 CO 0.17 -0.22 0.00 -0.25 0.00 0.00 0.00 179.25 178.95 2xf2 n ASP 252 N -3.68 5.51 -0.20 0.00 8.00 -1.26 -1.23 116.55 123.69 2xf2 n ASP 252 Ca 0.00 -2.83 0.01 0.00 0.71 0.00 0.00 54.79 52.68 2xf2 n ASP 252 Cb 0.26 -0.67 0.11 0.00 -0.02 0.00 0.00 41.12 40.81 2xf2 n ASP 252 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2xf2 h PHE 253 N 3.96 0.16 0.14 1.24 3.57 -1.71 0.15 116.94 124.45 2xf2 h PHE 253 Ca 0.00 0.04 -0.30 0.00 3.53 0.00 0.00 57.97 61.24 2xf2 h PHE 253 Cb 1.87 0.02 0.03 0.00 2.79 0.00 0.00 35.95 40.66 2xf2 h PHE 253 CO 1.03 -0.06 -1.27 0.52 -2.23 0.00 0.00 178.31 176.30 2xf2 h MET 254 N 0.23 0.54 -0.31 1.11 2.86 -1.87 -1.91 114.93 115.58 2xf2 h MET 254 Ca 0.32 -0.76 -0.08 0.00 -2.06 0.00 0.00 59.70 57.12 2xf2 h MET 254 Cb 0.49 0.26 -0.02 0.00 0.06 0.00 0.00 31.60 32.40 2xf2 h MET 254 CO -0.43 1.34 -0.13 0.07 1.06 0.00 0.00 176.91 178.83 2xf2 h ARG 255 N 0.22 0.53 -0.44 1.72 0.11 -1.82 -2.15 114.38 112.55 2xf2 h ARG 255 Ca -0.19 -0.16 -0.07 0.00 0.10 0.00 0.00 59.98 59.67 2xf2 h ARG 255 Cb 1.95 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 32.96 2xf2 h ARG 255 CO 0.24 0.65 -0.00 0.37 0.10 0.00 0.00 179.97 181.33 2xf2 h GLN 256 N 0.49 0.78 -0.55 0.08 4.15 -0.70 -1.75 115.11 117.61 2xf2 h GLN 256 Ca 0.09 -0.25 0.03 0.00 0.77 0.00 0.00 58.65 59.29 2xf2 h GLN 256 Cb 0.51 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.09 2xf2 h GLN 256 CO 0.03 0.84 0.32 0.22 -1.93 0.00 0.00 178.83 178.31 2xf2 h ASP 257 N 0.62 0.50 -0.20 -0.69 1.82 -1.12 0.12 116.42 117.47 2xf2 h ASP 257 Ca 0.12 0.01 -0.05 0.00 -0.39 0.00 0.00 57.03 56.72 2xf2 h ASP 257 Cb 0.49 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.41 2xf2 h ASP 257 CO 0.02 0.35 -0.08 0.25 -1.61 0.00 0.00 179.24 178.17 2xf2 h LEU 258 N 0.62 0.42 -0.07 2.28 5.85 -1.30 -1.69 115.31 121.41 2xf2 h LEU 258 Ca 0.23 -0.40 0.02 0.00 0.84 0.00 0.00 57.88 58.57 2xf2 h LEU 258 Cb 0.06 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 2xf2 h LEU 258 CO -0.12 0.72 -0.03 0.15 -0.34 0.00 0.00 178.44 178.82 2xf2 h PHE 259 N 0.11 -0.08 -0.53 1.25 3.57 -1.11 -2.35 116.94 117.80 2xf2 h PHE 259 Ca 0.05 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 2xf2 h PHE 259 Cb 0.55 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 2xf2 h PHE 259 CO 0.06 -0.06 0.06 1.96 -2.23 0.00 0.00 178.31 178.10 2xf2 h GLN 260 N -0.03 0.84 -0.56 1.11 4.20 -0.96 -1.46 115.11 118.26 2xf2 h GLN 260 Ca 0.04 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 2xf2 h GLN 260 Cb 0.09 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 2xf2 h GLN 260 CO -0.09 0.81 0.29 0.77 -0.67 0.00 0.00 178.83 179.93 2xf2 h SER 261 N 0.80 0.71 -0.31 1.46 0.02 -1.13 -0.71 113.55 114.39 2xf2 h SER 261 Ca 0.16 -0.11 -0.14 0.00 -0.84 0.00 0.00 61.79 60.87 2xf2 h SER 261 Cb 0.39 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 2xf2 h SER 261 CO 0.01 0.61 -0.34 0.40 -1.14 0.00 0.00 176.83 176.37 2xf2 h ILE 262 N 0.75 1.29 -0.61 3.27 2.04 -1.20 0.15 117.51 123.20 2xf2 h ILE 262 Ca 0.19 -1.52 0.01 0.00 1.00 0.00 0.00 64.86 64.55 2xf2 h ILE 262 Cb 0.07 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 2xf2 h ILE 262 CO -0.03 0.49 0.41 1.56 0.00 0.00 0.00 178.15 180.58 2xf2 h GLN 263 N 0.53 0.78 0.00 2.37 1.08 -1.09 -1.67 115.11 117.11 2xf2 h GLN 263 Ca 0.04 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2xf2 h GLN 263 Cb 0.93 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.18 2xf2 h GLN 263 CO 0.08 0.52 0.00 0.00 -0.95 0.00 0.00 178.83 178.48 2xf2 n ALA 264 N -2.45 2.47 -1.05 3.87 0.00 -0.29 -4.90 120.51 118.17 2xf2 n ALA 264 Ca 0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 53.44 53.34 2xf2 n ALA 264 Cb 0.07 -1.47 -0.01 0.00 0.00 0.00 0.00 19.45 18.04 2xf2 n ALA 264 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xf2 n GLY 265 N 1.09 0.52 3.09 0.00 0.00 -0.63 -4.97 105.19 104.29 2xf2 n GLY 265 Ca 0.16 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 2xf2 n GLY 265 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2xf2 n ARG 266 N -2.91 4.06 -2.32 1.61 1.74 0.49 -5.01 116.66 114.32 2xf2 n ARG 266 Ca -0.02 -4.33 -0.43 0.00 -0.77 0.00 0.00 57.85 52.31 2xf2 n ARG 266 Cb 0.06 -2.62 -0.02 0.00 -1.02 0.00 0.00 32.46 28.86 2xf2 n ARG 266 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2xf2 s PHE 267 N -1.66 2.60 0.51 -1.55 0.08 -1.26 -4.41 117.98 112.29 2xf2 s PHE 267 Ca 0.33 0.80 -0.19 0.00 0.12 0.00 0.00 56.93 57.99 2xf2 s PHE 267 Cb 0.02 -3.69 -0.07 0.00 -0.57 0.00 0.00 43.02 38.71 2xf2 s PHE 267 CO 0.04 -2.19 1.05 -1.25 -0.10 0.00 0.00 175.22 172.77 2xf2 s PRO 268 N 3.82 3.67 0.04 0.24 0.04 -1.25 -4.82 135.00 136.75 2xf2 s PRO 268 Ca 0.60 1.33 0.03 0.00 0.04 0.00 0.00 61.00 63.00 2xf2 s PRO 268 Cb -0.23 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 2xf2 s PRO 268 CO 0.20 -0.54 -0.10 -1.21 0.04 0.00 0.00 177.00 175.39 2xf2 s GLU 269 N -3.44 0.66 0.02 4.56 2.02 -1.26 -1.84 118.70 119.42 2xf2 s GLU 269 Ca 0.67 -0.71 0.03 0.00 0.02 0.00 0.00 54.97 54.97 2xf2 s GLU 269 Cb -0.17 -0.56 -0.01 0.00 0.10 0.00 0.00 34.13 33.49 2xf2 s GLU 269 CO 0.24 0.13 -0.09 -1.58 0.02 0.00 0.00 175.26 173.98 2xf2 s TRP 270 N -1.05 0.80 -0.17 1.61 0.51 -0.59 -1.26 118.94 118.79 2xf2 s TRP 270 Ca -0.04 -0.28 -0.13 0.00 -2.12 0.00 0.00 56.10 53.53 2xf2 s TRP 270 Cb -0.08 -0.49 -0.05 0.00 -0.81 0.00 0.00 33.47 32.04 2xf2 s TRP 270 CO 0.01 -0.02 0.27 -1.21 -0.51 0.00 0.00 176.95 175.49 2xf2 s GLU 271 N -0.78 4.25 -0.02 4.98 2.02 0.20 -0.16 118.70 129.19 2xf2 s GLU 271 Ca -0.01 0.06 -0.30 0.00 0.02 0.00 0.00 54.97 54.74 2xf2 s GLU 271 Cb -0.06 -3.43 -0.03 0.00 0.10 0.00 0.00 34.13 30.71 2xf2 s GLU 271 CO 0.00 0.24 1.08 -1.17 0.02 0.00 0.00 175.26 175.44 2xf2 s LEU 272 N 0.47 4.33 0.11 1.80 2.96 0.35 -0.18 118.68 128.52 2xf2 s LEU 272 Ca 0.15 1.75 0.03 0.00 -0.22 0.00 0.00 54.13 55.84 2xf2 s LEU 272 Cb -0.13 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 2xf2 s LEU 272 CO 0.03 -0.41 -0.08 -0.83 -1.32 0.00 0.00 176.35 173.73 2xf2 s GLY 273 N 1.13 0.85 -0.00 7.98 0.00 0.22 0.03 107.32 117.53 2xf2 s GLY 273 Ca 0.54 -1.31 0.04 0.00 0.00 0.00 0.00 44.72 43.99 2xf2 s GLY 273 CO 0.25 -1.41 -0.14 -1.34 0.00 0.00 0.00 173.10 170.46 2xf2 s VAL 274 N -3.12 1.09 -0.32 1.40 -7.23 0.21 -0.55 120.40 111.89 2xf2 s VAL 274 Ca 0.10 -0.67 -0.23 0.00 -1.81 0.00 0.00 61.98 59.37 2xf2 s VAL 274 Cb 0.02 -0.93 0.00 0.00 0.56 0.00 0.00 36.38 36.03 2xf2 s VAL 274 CO -0.02 0.25 0.76 -1.10 -0.31 0.00 0.00 175.10 174.68 2xf2 s GLN 275 N -0.49 3.90 -0.26 4.82 -0.21 -0.63 -0.42 119.66 126.38 2xf2 s GLN 275 Ca 0.05 0.48 -0.13 0.00 0.02 0.00 0.00 55.36 55.77 2xf2 s GLN 275 Cb -0.06 -3.75 -0.04 0.00 1.00 0.00 0.00 33.01 30.16 2xf2 s GLN 275 CO -0.00 -0.71 0.29 0.42 -2.12 0.00 0.00 175.29 173.17 2xf2 s ILE 276 N 2.94 5.25 0.23 1.08 1.01 -1.26 -2.50 121.20 127.95 2xf2 s ILE 276 Ca 0.31 0.40 0.02 0.00 0.00 0.00 0.00 60.65 61.39 2xf2 s ILE 276 Cb -0.14 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 2xf2 s ILE 276 CO 0.13 0.22 0.03 -0.04 0.00 0.00 0.00 174.94 175.29 2xf2 s MET 277 N 1.74 1.33 0.23 2.79 -1.94 0.82 -4.99 119.30 119.28 2xf2 s MET 277 Ca 0.12 -1.69 0.02 0.00 -1.71 0.00 0.00 55.69 52.43 2xf2 s MET 277 Cb -0.15 -0.45 -0.04 0.00 2.01 0.00 0.00 34.83 36.20 2xf2 s MET 277 CO 0.09 -0.17 0.40 -0.65 -0.01 0.00 0.00 175.02 174.68 2xf2 s GLN 278 N -3.93 3.48 0.33 2.03 -1.52 -1.26 -0.55 119.66 118.23 2xf2 s GLN 278 Ca 0.31 -0.51 0.07 0.00 -1.95 0.00 0.00 55.36 53.28 2xf2 s GLN 278 Cb 0.07 -2.84 0.77 0.00 -0.22 0.00 0.00 33.01 30.79 2xf2 s GLN 278 CO 0.10 0.38 1.81 0.93 -0.25 0.00 0.00 175.29 178.26 2xf2 h GLU 279 N 1.51 0.72 0.00 2.91 4.39 -1.93 -0.33 114.58 121.85 2xf2 h GLU 279 Ca -0.50 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.16 2xf2 h GLU 279 Cb 1.21 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 2xf2 h GLU 279 CO 0.65 0.47 0.00 1.04 -1.16 0.00 0.00 179.01 180.01 2xf2 n GLN 280 N -4.67 0.16 0.00 2.33 3.00 -1.26 -3.05 117.38 113.90 2xf2 n GLN 280 Ca 0.21 0.17 0.14 0.00 -0.01 0.00 0.00 57.00 57.51 2xf2 n GLN 280 Cb 0.54 -1.50 0.56 0.00 0.00 0.00 0.00 30.24 29.84 2xf2 n GLN 280 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2xf2 n ASP 281 N -1.34 0.98 -0.30 1.08 8.00 -0.13 -4.50 116.55 120.34 2xf2 n ASP 281 Ca 0.06 -1.09 0.13 0.00 0.71 0.00 0.00 54.79 54.60 2xf2 n ASP 281 Cb 0.13 0.02 0.37 0.00 -0.02 0.00 0.00 41.12 41.62 2xf2 n ASP 281 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 2xf2 h GLN 282 N 1.40 0.67 -0.00 -1.24 4.20 -1.70 -2.80 115.11 115.64 2xf2 h GLN 282 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2xf2 h GLN 282 Cb 0.41 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2xf2 h GLN 282 CO 0.00 0.44 -0.01 1.28 -0.67 0.00 0.00 178.83 179.88 2xf2 n LEU 283 N -4.61 1.02 0.14 1.46 4.77 -1.26 -0.74 117.00 117.78 2xf2 n LEU 283 Ca 0.19 -0.94 0.03 0.00 -0.03 0.00 0.00 56.01 55.26 2xf2 n LEU 283 Cb 0.53 0.00 0.40 0.00 -2.33 0.00 0.00 43.42 42.02 2xf2 n LEU 283 CO 0.27 0.24 0.87 0.50 -1.33 0.00 0.00 177.39 177.94 2xf2 h LYS 284 N 0.30 0.17 -0.20 3.23 3.64 -1.72 -3.13 116.57 118.86 2xf2 h LYS 284 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2xf2 h LYS 284 Cb 0.07 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2xf2 h LYS 284 CO 0.00 0.35 0.00 1.19 -2.27 0.00 0.00 179.45 178.72 2xf2 n PHE 285 N -4.26 0.27 -0.49 1.91 3.72 -1.26 -4.88 117.46 112.47 2xf2 n PHE 285 Ca -0.01 -0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 2xf2 n PHE 285 Cb 0.28 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 2xf2 n PHE 285 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2xf2 n GLY 286 N 1.06 0.75 3.50 1.37 0.00 -1.18 -5.03 105.19 105.64 2xf2 n GLY 286 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 2xf2 n GLY 286 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2xf2 s PHE 287 N -2.47 0.69 -0.20 1.61 -0.12 -1.26 -5.09 117.98 111.14 2xf2 s PHE 287 Ca 0.00 -0.99 -0.14 0.00 -0.05 0.00 0.00 56.93 55.75 2xf2 s PHE 287 Cb 0.00 -0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.34 2xf2 s PHE 287 CO 0.00 -0.97 0.29 0.34 -0.05 0.00 0.00 175.22 174.83 2xf2 s ASP 288 N -3.10 6.34 0.55 1.98 -1.08 -1.26 -4.28 116.67 115.83 2xf2 s ASP 288 Ca 0.27 0.40 0.37 0.00 -0.52 0.00 0.00 52.55 53.07 2xf2 s ASP 288 Cb 0.01 -2.18 1.93 0.00 -1.46 0.00 0.00 42.92 41.22 2xf2 s ASP 288 CO 0.12 0.03 2.13 -0.07 0.52 0.00 0.00 175.17 177.90 2xf2 h LEU 289 N 7.26 0.00 -0.26 -1.34 3.38 -1.24 -1.42 115.31 121.69 2xf2 h LEU 289 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2xf2 h LEU 289 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2xf2 h LEU 289 CO 0.72 0.00 -0.07 0.18 0.09 0.00 0.00 178.44 179.35 2xf2 n LEU 290 N -2.85 0.47 -4.49 1.67 4.77 -1.26 -4.28 117.00 111.02 2xf2 n LEU 290 Ca -0.02 -0.03 -0.43 0.00 -0.03 0.00 0.00 56.01 55.50 2xf2 n LEU 290 Cb 0.10 -0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 40.98 2xf2 n LEU 290 CO 0.19 0.08 0.25 -0.62 -1.33 0.00 0.00 177.39 175.96 2xf2 s ASP 291 N -2.35 6.25 0.00 -1.43 -1.08 -0.54 -4.32 116.67 113.20 2xf2 s ASP 291 Ca 0.33 -0.60 0.12 0.00 -0.52 0.00 0.00 52.55 51.88 2xf2 s ASP 291 Cb 0.20 -2.27 0.70 0.00 -1.46 0.00 0.00 42.92 40.10 2xf2 s ASP 291 CO 0.44 -0.71 1.30 -0.81 0.52 0.00 0.00 175.17 175.90 2xf2 n PRO 292 N 5.95 0.80 -0.14 4.34 -0.04 -1.26 -2.34 135.00 142.30 2xf2 n PRO 292 Ca -0.05 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.52 2xf2 n PRO 292 Cb 0.47 -1.23 0.27 0.00 -0.04 0.00 0.00 33.50 32.97 2xf2 n PRO 292 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2xf2 n THR 293 N -0.73 0.36 -5.16 0.52 -2.24 -1.26 -1.37 114.28 104.41 2xf2 n THR 293 Ca 0.09 -0.57 -0.32 0.00 -2.27 0.00 0.00 64.05 60.98 2xf2 n THR 293 Cb 0.04 0.75 -0.15 0.00 -2.10 0.00 0.00 70.33 68.87 2xf2 n THR 293 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2xf2 s LYS 294 N -1.64 2.29 0.24 -0.78 -0.14 -0.99 -4.86 119.74 113.86 2xf2 s LYS 294 Ca 0.35 -0.85 0.01 0.00 -1.36 0.00 0.00 55.97 54.13 2xf2 s LYS 294 Cb 0.20 -2.17 -0.04 0.00 -1.68 0.00 0.00 37.83 34.15 2xf2 s LYS 294 CO 0.29 0.57 0.42 0.96 -0.76 0.00 0.00 175.35 176.83 2xf2 s ILE 295 N -0.61 5.20 -0.39 2.17 -4.36 -1.26 -4.88 121.20 117.07 2xf2 s ILE 295 Ca 0.09 -0.52 -0.13 0.00 -0.26 0.00 0.00 60.65 59.83 2xf2 s ILE 295 Cb -0.10 -3.79 0.02 0.00 1.25 0.00 0.00 42.46 39.83 2xf2 s ILE 295 CO -0.00 -0.29 0.26 -0.69 0.24 0.00 0.00 174.94 174.46 2xf2 s VAL 296 N -1.99 5.05 0.38 8.37 1.01 -1.26 -5.07 120.40 126.89 2xf2 s VAL 296 Ca 0.38 -0.64 -0.27 0.00 0.00 0.00 0.00 61.98 61.44 2xf2 s VAL 296 Cb -0.10 -3.77 -0.10 0.00 0.00 0.00 0.00 36.38 32.41 2xf2 s VAL 296 CO 0.31 -0.23 1.38 -2.84 0.00 0.00 0.00 175.10 173.72 2xf2 s PRO 297 N 1.65 4.10 0.47 2.72 0.02 -1.26 -4.83 135.00 137.87 2xf2 s PRO 297 Ca 0.04 2.36 0.32 0.00 0.02 0.00 0.00 61.00 63.74 2xf2 s PRO 297 Cb -0.19 -2.91 1.48 0.00 0.02 0.00 0.00 34.50 32.90 2xf2 s PRO 297 CO 0.09 -0.46 1.96 0.93 -0.33 0.00 0.00 177.00 179.19 2xf2 h GLU 298 N 2.96 0.00 -0.04 5.54 5.08 -1.97 0.13 114.58 126.28 2xf2 h GLU 298 Ca -0.50 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.81 2xf2 h GLU 298 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2xf2 h GLU 298 CO 0.64 0.00 -0.22 0.93 -1.00 0.00 0.00 179.01 179.36 2xf2 h GLU 299 N 0.00 0.07 0.10 2.33 3.07 -1.98 -3.20 114.58 114.96 2xf2 h GLU 299 Ca 0.00 -0.02 -0.24 0.00 -0.50 0.00 0.00 59.36 58.61 2xf2 h GLU 299 Cb 0.29 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.19 2xf2 h GLU 299 CO 0.00 0.29 -1.19 -0.07 -1.40 0.00 0.00 179.01 176.63 2xf2 h LEU 300 N 0.06 0.32 -7.28 1.33 3.38 -1.33 -3.45 115.31 108.33 2xf2 h LEU 300 Ca 0.01 -0.84 -0.47 0.00 0.09 0.00 0.00 57.88 56.67 2xf2 h LEU 300 Cb 0.43 -0.10 -0.40 0.00 0.09 0.00 0.00 40.66 40.68 2xf2 h LEU 300 CO 0.03 1.52 -0.76 -0.69 0.09 0.00 0.00 178.44 178.63 2xf2 s VAL 301 N -2.44 0.28 0.79 1.22 1.01 -0.99 -5.08 120.40 115.19 2xf2 s VAL 301 Ca -0.20 -0.19 -0.11 0.00 0.00 0.00 0.00 61.98 61.48 2xf2 s VAL 301 Cb 0.03 -0.71 0.07 0.00 0.00 0.00 0.00 36.38 35.77 2xf2 s VAL 301 CO 0.75 -0.06 1.09 -2.16 0.00 0.00 0.00 175.10 174.71 2xf2 s PRO 302 N 1.98 2.12 -0.22 2.72 0.04 -1.21 -4.23 135.00 136.21 2xf2 s PRO 302 Ca 0.02 0.93 -0.22 0.00 0.04 0.00 0.00 61.00 61.78 2xf2 s PRO 302 Cb -0.15 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 2xf2 s PRO 302 CO -0.07 -1.67 0.68 0.08 0.04 0.00 0.00 177.00 176.06 2xf2 s VAL 303 N -2.99 4.97 -0.21 -0.36 1.01 -1.26 -4.34 120.40 117.21 2xf2 s VAL 303 Ca 0.61 1.26 -0.18 0.00 0.00 0.00 0.00 61.98 63.67 2xf2 s VAL 303 Cb -0.16 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 2xf2 s VAL 303 CO 0.56 0.05 0.52 -0.89 0.00 0.00 0.00 175.10 175.33 2xf2 s THR 304 N 2.25 5.10 -0.11 3.92 2.01 0.44 -4.87 115.64 124.38 2xf2 s THR 304 Ca 0.30 0.93 -0.24 0.00 0.31 0.00 0.00 61.69 62.99 2xf2 s THR 304 Cb -0.16 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 2xf2 s THR 304 CO 0.09 0.16 0.75 -0.63 -0.69 0.00 0.00 174.62 174.30 2xf2 s ILE 305 N 1.79 4.98 -0.15 1.82 -1.09 -1.26 -0.62 121.20 126.67 2xf2 s ILE 305 Ca 0.23 1.51 0.17 0.00 -2.23 0.00 0.00 60.65 60.33 2xf2 s ILE 305 Cb -0.15 -4.08 -0.24 0.00 -1.58 0.00 0.00 42.46 36.41 2xf2 s ILE 305 CO 0.09 0.16 0.12 0.18 -1.23 0.00 0.00 174.94 174.26 2xf2 n LEU 306 N 4.41 0.00 0.00 2.97 4.77 0.10 -4.95 117.00 124.30 2xf2 n LEU 306 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2xf2 n LEU 306 Cb 0.50 0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 2xf2 n LEU 306 CO 0.47 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 2xf2 n GLY 307 N 1.81 -1.38 2.94 -0.72 0.00 -1.17 -0.87 105.19 105.79 2xf2 n GLY 307 Ca -0.25 -0.99 -0.18 0.00 0.00 0.00 0.00 46.02 44.61 2xf2 n GLY 307 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2xf2 s LYS 308 N -0.96 0.59 -0.12 1.61 2.20 -0.14 -0.49 119.74 122.44 2xf2 s LYS 308 Ca 0.00 -0.16 -0.04 0.00 -0.36 0.00 0.00 55.97 55.41 2xf2 s LYS 308 Cb 0.00 -0.59 -0.04 0.00 -1.51 0.00 0.00 37.83 35.69 2xf2 s LYS 308 CO 0.00 0.05 0.03 1.41 -0.36 0.00 0.00 175.35 176.48 2xf2 s MET 309 N 0.27 3.34 -0.07 4.03 -2.45 0.78 -0.79 119.30 124.40 2xf2 s MET 309 Ca -0.03 -0.36 0.03 0.00 -1.25 0.00 0.00 55.69 54.08 2xf2 s MET 309 Cb -0.07 -2.96 0.01 0.00 1.25 0.00 0.00 34.83 33.06 2xf2 s MET 309 CO -0.00 0.58 -0.16 -1.14 1.05 0.00 0.00 175.02 175.34 2xf2 s GLN 310 N -0.52 2.10 -0.24 4.11 0.74 -0.36 -1.54 119.66 123.95 2xf2 s GLN 310 Ca 0.10 -0.57 -0.14 0.00 0.05 0.00 0.00 55.36 54.79 2xf2 s GLN 310 Cb -0.12 -1.68 -0.04 0.00 1.10 0.00 0.00 33.01 32.27 2xf2 s GLN 310 CO 0.02 0.09 0.34 -0.51 -0.55 0.00 0.00 175.29 174.69 2xf2 s LEU 311 N 0.50 4.09 0.00 3.68 1.43 -0.77 -0.97 118.68 126.64 2xf2 s LEU 311 Ca -0.15 0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 2xf2 s LEU 311 Cb -0.16 -2.39 0.00 0.00 0.03 0.00 0.00 46.19 43.67 2xf2 s LEU 311 CO 0.05 -0.10 0.49 -0.46 0.23 0.00 0.00 176.35 176.55 2xf2 n ASN 312 N 4.88 0.00 -3.67 2.29 0.23 -0.34 -3.80 115.26 114.84 2xf2 n ASN 312 Ca -0.10 -1.00 -0.09 0.00 -0.53 0.00 0.00 54.58 52.87 2xf2 n ASN 312 Cb 0.51 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.12 2xf2 n ASN 312 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 2xf2 s ARG 313 N 0.00 0.46 0.46 -3.83 3.52 -1.07 -5.01 118.95 113.48 2xf2 s ARG 313 Ca 0.00 0.97 -0.20 0.00 -0.13 0.00 0.00 55.73 56.37 2xf2 s ARG 313 Cb 0.00 0.13 -0.10 0.00 -1.56 0.00 0.00 34.95 33.42 2xf2 s ARG 313 CO 0.00 -0.18 0.96 -0.80 -0.81 0.00 0.00 175.30 174.48 2xf2 s ASN 314 N 1.77 6.84 0.90 -2.12 0.01 -1.26 -0.75 114.94 120.32 2xf2 s ASN 314 Ca -0.08 1.65 -0.10 0.00 -0.71 0.00 0.00 52.86 53.62 2xf2 s ASN 314 Cb -0.09 -2.53 0.14 0.00 0.41 0.00 0.00 41.25 39.18 2xf2 s ASN 314 CO -0.15 -0.43 1.14 -2.16 -1.51 0.00 0.00 177.10 173.99 2xf2 s PRO 315 N -3.46 1.13 -0.07 -0.60 0.04 -1.26 -4.85 135.00 125.94 2xf2 s PRO 315 Ca 0.61 1.51 -0.03 0.00 0.04 0.00 0.00 61.00 63.13 2xf2 s PRO 315 Cb -0.09 -1.74 -0.27 0.00 0.04 0.00 0.00 34.50 32.44 2xf2 s PRO 315 CO 0.19 -2.54 0.58 0.52 0.04 0.00 0.00 177.00 175.79 2xf2 h MET 316 N -1.80 0.23 -3.63 4.56 2.86 -2.01 -3.45 114.93 111.69 2xf2 h MET 316 Ca -0.43 -0.39 -0.45 0.00 -2.06 0.00 0.00 59.70 56.38 2xf2 h MET 316 Cb 1.26 0.14 -0.39 0.00 0.06 0.00 0.00 31.60 32.68 2xf2 h MET 316 CO 0.43 1.06 -0.76 1.21 1.06 0.00 0.00 176.91 179.90 2xf2 s ASN 317 N -6.87 1.78 0.12 1.22 3.84 -1.26 -5.05 114.94 108.72 2xf2 s ASN 317 Ca -0.15 -0.20 -0.20 0.00 0.21 0.00 0.00 52.86 52.52 2xf2 s ASN 317 Cb 0.07 -0.43 -0.06 0.00 -0.55 0.00 0.00 41.25 40.27 2xf2 s ASN 317 CO 0.81 -0.22 1.77 0.22 -2.79 0.00 0.00 177.10 176.89 2xf2 h TYR 318 N 8.33 0.20 0.13 0.43 5.03 -1.98 -2.09 116.97 127.02 2xf2 h TYR 318 Ca -0.18 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.13 2xf2 h TYR 318 Cb 1.12 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 39.34 2xf2 h TYR 318 CO 0.44 0.12 -0.06 0.35 -1.32 0.00 0.00 178.16 177.68 2xf2 h PHE 319 N 0.23 -0.17 -0.74 -3.82 3.57 -1.96 0.23 116.94 114.28 2xf2 h PHE 319 Ca 0.08 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 2xf2 h PHE 319 Cb -0.00 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 2xf2 h PHE 319 CO -0.08 -0.10 0.37 0.00 -2.23 0.00 0.00 178.31 176.27 2xf2 h ALA 320 N 0.68 1.26 0.00 2.41 0.00 -1.94 -2.33 119.26 119.34 2xf2 h ALA 320 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2xf2 h ALA 320 Cb 0.15 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2xf2 h ALA 320 CO 0.03 0.58 -0.85 0.39 0.00 0.00 0.00 179.25 179.40 2xf2 n GLU 321 N -4.34 0.47 -0.03 0.00 1.02 -0.80 -4.27 120.64 112.69 2xf2 n GLU 321 Ca 0.07 0.22 -0.15 0.00 -0.02 0.00 0.00 57.16 57.28 2xf2 n GLU 321 Cb 0.12 -1.36 -0.11 0.00 -0.02 0.00 0.00 31.44 30.08 2xf2 n GLU 321 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2xf2 h THR 322 N -0.90 1.50 -0.46 2.62 2.02 -0.78 -2.76 112.91 114.15 2xf2 h THR 322 Ca 0.00 -1.83 -0.10 0.00 0.77 0.00 0.00 66.41 65.25 2xf2 h THR 322 Cb 0.85 2.59 -0.02 0.00 -1.74 0.00 0.00 68.15 69.83 2xf2 h THR 322 CO 0.00 0.51 -0.12 -0.08 0.37 0.00 0.00 175.52 176.19 2xf2 h GLU 323 N -0.39 0.84 -0.00 6.66 4.57 -0.99 -3.15 114.58 122.12 2xf2 h GLU 323 Ca -0.03 -0.30 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 2xf2 h GLU 323 Cb 0.96 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.49 2xf2 h GLU 323 CO 0.05 0.92 -0.19 1.04 -1.18 0.00 0.00 179.01 179.65 2xf2 n GLN 324 N -4.15 0.53 -2.14 1.92 6.02 -0.89 -4.89 117.38 113.78 2xf2 n GLN 324 Ca 0.01 -0.23 -0.41 0.00 -0.01 0.00 0.00 57.00 56.36 2xf2 n GLN 324 Cb 0.38 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.12 2xf2 n GLN 324 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2xf2 s VAL 325 N -2.62 3.00 -0.39 5.09 0.11 -1.04 -4.88 120.40 119.66 2xf2 s VAL 325 Ca 0.23 0.84 0.02 0.00 -2.93 0.00 0.00 61.98 60.14 2xf2 s VAL 325 Cb 0.19 -3.53 0.12 0.00 -1.53 0.00 0.00 36.38 31.63 2xf2 s VAL 325 CO 0.53 0.13 0.16 -0.04 -3.33 0.00 0.00 175.10 172.54 2xf2 s MET 326 N -0.25 1.28 0.42 1.54 -1.94 -1.26 -5.06 119.30 114.03 2xf2 s MET 326 Ca 0.57 -1.81 -0.21 0.00 -1.71 0.00 0.00 55.69 52.53 2xf2 s MET 326 Cb -0.38 -2.60 -0.11 0.00 2.01 0.00 0.00 34.83 33.74 2xf2 s MET 326 CO 0.40 -1.05 0.95 -0.06 -0.01 0.00 0.00 175.02 175.25 2xf2 s PHE 327 N 0.73 3.33 -0.13 -0.03 0.08 -1.26 -5.04 117.98 115.67 2xf2 s PHE 327 Ca 0.14 1.62 -0.08 0.00 0.12 0.00 0.00 56.93 58.73 2xf2 s PHE 327 Cb -0.21 -2.86 0.05 0.00 -0.57 0.00 0.00 43.02 39.42 2xf2 s PHE 327 CO -0.09 -0.11 0.31 -0.65 -0.10 0.00 0.00 175.22 174.58 2xf2 s GLN 328 N -3.09 0.30 0.59 0.44 -0.21 -1.26 -4.92 119.66 111.50 2xf2 s GLN 328 Ca 0.61 0.58 0.38 0.00 0.02 0.00 0.00 55.36 56.96 2xf2 s GLN 328 Cb -0.10 -0.02 1.92 0.00 1.00 0.00 0.00 33.01 35.81 2xf2 s GLN 328 CO 0.14 -0.13 2.16 -1.35 -2.12 0.00 0.00 175.29 173.99 2xf2 h PRO 329 N 6.81 0.00 0.00 2.91 0.11 -1.91 -1.17 132.00 138.76 2xf2 h PRO 329 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2xf2 h PRO 329 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2xf2 h PRO 329 CO 0.34 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.54 2xf2 n GLY 330 N -0.67 -1.13 3.57 -0.55 0.00 -1.26 -4.19 105.19 100.97 2xf2 n GLY 330 Ca -0.01 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 2xf2 n GLY 330 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2xf2 s HIS 331 N -2.95 2.61 0.22 1.61 3.76 -0.44 -4.93 115.29 115.16 2xf2 s HIS 331 Ca 0.10 -1.16 0.11 0.00 -0.15 0.00 0.00 55.06 53.96 2xf2 s HIS 331 Cb 0.12 -4.64 -0.04 0.00 1.11 0.00 0.00 32.58 29.13 2xf2 s HIS 331 CO 0.34 -1.77 -0.17 -1.50 -0.85 0.00 0.00 174.74 170.79 2xf2 s ILE 332 N 5.31 2.70 0.24 0.60 2.07 -1.26 -1.78 121.20 129.08 2xf2 s ILE 332 Ca 0.54 -2.01 0.09 0.00 -1.41 0.00 0.00 60.65 57.87 2xf2 s ILE 332 Cb 0.02 -2.35 -0.05 0.00 0.13 0.00 0.00 42.46 40.21 2xf2 s ILE 332 CO 0.04 -0.20 -0.15 0.68 -1.91 0.00 0.00 174.94 173.40 2xf2 s VAL 333 N -1.93 1.98 0.11 4.00 -7.23 -1.26 -4.90 120.40 111.17 2xf2 s VAL 333 Ca 0.25 -2.27 -0.36 0.00 -1.81 0.00 0.00 61.98 57.79 2xf2 s VAL 333 Cb -0.07 -2.17 -0.16 0.00 0.56 0.00 0.00 36.38 34.54 2xf2 s VAL 333 CO 0.13 -0.50 1.42 -1.14 -0.31 0.00 0.00 175.10 174.70 2xf2 n ARG 334 N -0.48 1.48 0.00 4.82 0.63 -1.26 -1.88 116.66 119.98 2xf2 n ARG 334 Ca -0.07 0.53 0.00 0.00 -0.92 0.00 0.00 57.85 57.40 2xf2 n ARG 334 Cb 0.61 -2.22 0.00 0.00 0.45 0.00 0.00 32.46 31.30 2xf2 n ARG 334 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2xf2 n GLY 335 N 2.80 0.62 3.16 5.14 0.00 -1.26 -3.10 105.19 112.56 2xf2 n GLY 335 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 2xf2 n GLY 335 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2xf2 s VAL 336 N -2.00 1.24 0.14 1.61 1.01 -0.79 -0.99 120.40 120.63 2xf2 s VAL 336 Ca 0.00 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 60.93 2xf2 s VAL 336 Cb 0.00 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 2xf2 s VAL 336 CO 0.00 0.09 0.17 -0.62 0.00 0.00 0.00 175.10 174.74 2xf2 s ASP 337 N -1.04 0.18 0.75 3.32 2.15 -0.05 -4.70 116.67 117.27 2xf2 s ASP 337 Ca 0.03 -1.01 -0.09 0.00 0.43 0.00 0.00 52.55 51.92 2xf2 s ASP 337 Cb -0.08 0.36 0.07 0.00 -0.30 0.00 0.00 42.92 42.97 2xf2 s ASP 337 CO 0.01 -0.80 1.08 -0.36 -0.17 0.00 0.00 175.17 174.94 2xf2 s PHE 338 N -3.99 2.96 0.45 -5.34 0.08 -1.26 -0.79 117.98 110.07 2xf2 s PHE 338 Ca 0.19 0.60 0.03 0.00 0.12 0.00 0.00 56.93 57.88 2xf2 s PHE 338 Cb 0.05 -3.30 -0.04 0.00 -0.57 0.00 0.00 43.02 39.16 2xf2 s PHE 338 CO -0.00 -1.54 0.04 0.95 -0.10 0.00 0.00 175.22 174.56 2xf2 s THR 339 N -3.38 1.24 -1.52 0.64 -4.23 -1.26 -4.47 115.64 102.65 2xf2 s THR 339 Ca 0.61 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.18 2xf2 s THR 339 Cb -0.11 -2.46 0.22 0.00 1.34 0.00 0.00 72.50 71.49 2xf2 s THR 339 CO 0.47 0.00 1.06 -0.62 -0.54 0.00 0.00 174.62 174.98 2xf2 n GLU 340 N -1.06 1.79 -1.51 3.99 4.71 -1.26 -4.58 120.64 122.73 2xf2 n GLU 340 Ca -0.11 -0.88 -0.54 0.00 -0.01 0.00 0.00 57.16 55.62 2xf2 n GLU 340 Cb 0.67 -1.40 -0.08 0.00 -1.01 0.00 0.00 31.44 29.62 2xf2 n GLU 340 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2xf2 n ASP 341 N 0.18 2.11 0.23 1.62 -0.08 -1.26 -4.83 116.55 114.51 2xf2 n ASP 341 Ca 0.08 0.65 0.16 0.00 -1.51 0.00 0.00 54.79 54.17 2xf2 n ASP 341 Cb 0.33 -1.19 0.69 0.00 2.34 0.00 0.00 41.12 43.29 2xf2 n ASP 341 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2xf2 h PRO 342 N 10.42 0.00 0.07 -0.67 0.11 -1.76 0.66 132.00 140.82 2xf2 h PRO 342 Ca -0.31 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 2xf2 h PRO 342 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2xf2 h PRO 342 CO 1.01 0.00 -0.03 1.25 -0.21 0.00 0.00 178.00 180.01 2xf2 h LEU 343 N 0.00 -0.08 -0.44 2.35 5.85 -1.88 -2.84 115.31 118.27 2xf2 h LEU 343 Ca 0.00 -0.52 0.03 0.00 0.84 0.00 0.00 57.88 58.23 2xf2 h LEU 343 Cb 0.35 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 2xf2 h LEU 343 CO 0.00 0.53 0.23 0.25 -0.34 0.00 0.00 178.44 179.11 2xf2 h LEU 344 N -0.75 0.34 -0.34 2.25 5.85 -1.77 -2.26 115.31 118.64 2xf2 h LEU 344 Ca -0.01 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.80 2xf2 h LEU 344 Cb 0.60 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.51 2xf2 h LEU 344 CO 0.02 0.24 -0.13 1.56 -0.34 0.00 0.00 178.44 179.79 2xf2 h GLN 345 N 0.46 -0.06 -0.04 1.25 1.08 -0.98 -2.29 115.11 114.53 2xf2 h GLN 345 Ca 0.19 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.25 2xf2 h GLN 345 Cb 0.08 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 2xf2 h GLN 345 CO -0.12 -0.04 -0.64 0.78 -0.95 0.00 0.00 178.83 177.86 2xf2 h GLY 346 N -0.06 0.18 0.11 3.46 0.00 -1.46 -3.10 103.07 102.20 2xf2 h GLY 346 Ca 0.17 -0.23 0.19 0.00 0.00 0.00 0.00 47.33 47.46 2xf2 h GLY 346 CO -0.38 0.21 0.61 3.21 0.00 0.00 0.00 176.54 180.19 2xf2 h ARG 347 N 0.12 0.73 -0.86 4.80 3.08 -0.82 -2.23 114.38 119.20 2xf2 h ARG 347 Ca -0.01 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.07 2xf2 h ARG 347 Cb 1.14 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 30.97 2xf2 h ARG 347 CO 0.09 0.48 0.56 -0.07 -1.07 0.00 0.00 179.97 179.96 2xf2 h LEU 348 N 0.75 0.81 -0.18 3.04 3.38 -1.43 -1.22 115.31 120.45 2xf2 h LEU 348 Ca 0.58 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.54 2xf2 h LEU 348 Cb 0.93 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2xf2 h LEU 348 CO -0.39 0.50 0.03 0.15 0.09 0.00 0.00 178.44 178.83 2xf2 h PHE 349 N 0.91 0.32 -0.47 1.13 3.57 -1.57 -3.34 116.94 117.49 2xf2 h PHE 349 Ca 0.38 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.81 2xf2 h PHE 349 Cb 0.29 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 2xf2 h PHE 349 CO -0.00 0.46 0.19 1.03 -2.23 0.00 0.00 178.31 177.76 2xf2 h SER 350 N 0.09 0.64 0.73 0.41 0.87 -1.15 -2.82 113.55 112.31 2xf2 h SER 350 Ca 0.06 -0.17 -0.09 0.00 -1.23 0.00 0.00 61.79 60.36 2xf2 h SER 350 Cb 0.32 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 2xf2 h SER 350 CO 0.00 0.63 -0.40 1.88 -0.53 0.00 0.00 176.83 178.41 2xf2 h TYR 351 N 0.61 0.00 -0.09 2.24 -1.99 -1.63 0.55 116.97 116.66 2xf2 h TYR 351 Ca 0.16 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.72 2xf2 h TYR 351 Cb 0.19 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.93 2xf2 h TYR 351 CO 0.00 0.40 -0.60 1.25 -0.00 0.00 0.00 178.16 179.22 2xf2 h LEU 352 N 0.00 0.69 -0.27 3.88 5.85 -1.66 -3.32 115.31 120.48 2xf2 h LEU 352 Ca -0.00 -0.66 -0.07 0.00 0.84 0.00 0.00 57.88 57.99 2xf2 h LEU 352 Cb 0.88 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 2xf2 h LEU 352 CO 0.05 1.24 -0.08 -0.78 -0.34 0.00 0.00 178.44 178.53 2xf2 h ASP 353 N 0.19 0.55 0.36 1.25 3.58 -1.23 -3.26 116.42 117.85 2xf2 h ASP 353 Ca -0.05 -0.38 -0.04 0.00 0.42 0.00 0.00 57.03 56.98 2xf2 h ASP 353 Cb 1.25 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 42.14 2xf2 h ASP 353 CO 0.12 0.80 -0.20 0.00 -2.88 0.00 0.00 179.24 177.08 2xf2 h THR 354 N 0.29 0.87 0.00 2.25 1.03 -1.02 -1.90 112.91 114.43 2xf2 h THR 354 Ca 0.07 -0.77 -0.02 0.00 -0.01 0.00 0.00 66.41 65.67 2xf2 h THR 354 Cb 0.57 1.45 -0.00 0.00 -1.07 0.00 0.00 68.15 69.10 2xf2 h THR 354 CO 0.03 0.20 -0.12 1.56 -0.01 0.00 0.00 175.52 177.18 2xf2 h GLN 355 N 0.00 0.00 -0.50 0.00 1.08 -1.65 -0.99 115.11 113.05 2xf2 h GLN 355 Ca -0.00 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 2xf2 h GLN 355 Cb 0.44 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 2xf2 h GLN 355 CO 0.03 0.12 0.18 -0.07 -0.95 0.00 0.00 178.83 178.14 2xf2 h LEU 356 N 0.00 0.66 -0.07 1.46 3.38 -1.50 0.57 115.31 119.80 2xf2 h LEU 356 Ca -0.00 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2xf2 h LEU 356 Cb 0.35 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2xf2 h LEU 356 CO 0.02 0.61 -0.01 -1.13 0.09 0.00 0.00 178.44 178.01 2xf2 h ASN 357 N 0.71 0.13 -0.26 -0.43 -0.73 -1.30 -1.08 115.58 112.62 2xf2 h ASN 357 Ca 0.17 -0.36 -0.05 0.00 1.87 0.00 0.00 56.30 57.93 2xf2 h ASN 357 Cb 0.17 -0.04 -0.01 0.00 0.27 0.00 0.00 38.32 38.71 2xf2 h ASN 357 CO -0.01 0.46 -0.04 0.03 -0.37 0.00 0.00 177.43 177.49 2xf2 h ARG 358 N -0.19 0.49 0.00 6.67 3.08 -1.18 -3.28 114.38 119.97 2xf2 h ARG 358 Ca 0.02 -0.18 -0.09 0.00 0.07 0.00 0.00 59.98 59.80 2xf2 h ARG 358 Cb 0.40 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 2xf2 h ARG 358 CO 0.01 0.69 -1.14 1.25 -1.07 0.00 0.00 179.97 179.71 2xf2 h HIS 359 N 0.25 0.00 0.00 3.04 2.76 -1.00 -3.41 115.15 116.79 2xf2 h HIS 359 Ca 0.07 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2xf2 h HIS 359 Cb 0.50 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.46 2xf2 h HIS 359 CO 0.05 0.32 0.00 0.41 -1.30 0.00 0.00 177.93 177.40 2xf2 n GLY 360 N 1.29 0.56 3.87 5.26 0.00 -0.41 -4.97 105.19 110.78 2xf2 n GLY 360 Ca -0.05 -0.15 0.04 0.00 0.00 0.00 0.00 46.02 45.86 2xf2 n GLY 360 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2xf2 s GLY 361 N -2.14 -0.30 0.00 -0.02 0.00 -1.21 -5.03 107.32 98.63 2xf2 s GLY 361 Ca 0.00 0.40 0.28 0.00 0.00 0.00 0.00 44.72 45.40 2xf2 s GLY 361 CO 0.00 4.52 1.74 -1.55 0.00 0.00 0.00 173.10 177.81 2xf2 n PRO 362 N -0.81 0.16 -1.27 2.90 -0.04 -1.26 -4.31 135.00 130.37 2xf2 n PRO 362 Ca 0.01 -0.05 -0.30 0.00 -0.04 0.00 0.00 63.50 63.12 2xf2 n PRO 362 Cb 0.60 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.69 2xf2 n PRO 362 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2xf2 n ASN 363 N -1.37 5.85 0.23 3.54 3.02 -1.26 -4.60 115.26 120.66 2xf2 n ASN 363 Ca 0.08 -3.69 0.08 0.00 -0.03 0.00 0.00 54.58 51.02 2xf2 n ASN 363 Cb 0.32 -0.91 0.53 0.00 -0.61 0.00 0.00 39.78 39.11 2xf2 n ASN 363 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 2xf2 h PHE 364 N 1.52 0.00 0.00 3.10 -5.15 -1.93 -1.90 116.94 112.58 2xf2 h PHE 364 Ca 0.62 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.39 2xf2 h PHE 364 Cb 1.77 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.94 2xf2 h PHE 364 CO 1.50 0.23 0.00 0.39 -2.00 0.00 0.00 178.31 178.43 2xf2 n GLU 365 N -3.89 0.04 0.00 6.09 -0.58 -1.26 -2.26 120.64 118.78 2xf2 n GLU 365 Ca -0.02 0.34 0.13 0.00 -0.42 0.00 0.00 57.16 57.19 2xf2 n GLU 365 Cb 0.32 -1.58 0.39 0.00 -0.57 0.00 0.00 31.44 29.99 2xf2 n GLU 365 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2xf2 n GLN 366 N -1.66 0.13 -1.94 3.49 6.02 -0.71 -3.06 117.38 119.65 2xf2 n GLN 366 Ca 0.02 -0.06 -0.41 0.00 -0.01 0.00 0.00 57.00 56.55 2xf2 n GLN 366 Cb 0.14 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.89 2xf2 n GLN 366 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2xf2 s LEU 367 N -2.91 4.37 0.25 1.08 1.43 -0.96 -4.75 118.68 117.19 2xf2 s LEU 367 Ca 0.14 2.88 -0.06 0.00 -1.03 0.00 0.00 54.13 56.07 2xf2 s LEU 367 Cb 0.18 -3.66 0.48 0.00 0.03 0.00 0.00 46.19 43.22 2xf2 s LEU 367 CO 0.62 -0.73 1.64 -0.65 0.23 0.00 0.00 176.35 177.46 2xf2 h PRO 368 N 3.34 0.12 0.00 1.29 0.11 -1.91 0.17 132.00 135.11 2xf2 h PRO 368 Ca -0.50 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2xf2 h PRO 368 Cb 1.23 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2xf2 h PRO 368 CO 0.66 0.08 -0.09 0.97 -0.21 0.00 0.00 178.00 179.41 2xf2 h ILE 369 N 0.12 0.33 0.00 4.15 6.09 -1.90 -2.98 117.51 123.32 2xf2 h ILE 369 Ca 0.43 -0.55 0.00 0.00 -1.37 0.00 0.00 64.86 63.38 2xf2 h ILE 369 Cb 0.78 1.41 0.00 0.00 0.47 0.00 0.00 36.82 39.48 2xf2 h ILE 369 CO -0.67 0.09 -1.38 0.59 -3.07 0.00 0.00 178.15 173.71 2xf2 n ASN 370 N -3.37 0.48 -4.76 2.19 3.02 0.47 -4.94 115.26 108.35 2xf2 n ASN 370 Ca -0.01 -0.23 -0.37 0.00 -0.03 0.00 0.00 54.58 53.94 2xf2 n ASN 370 Cb 0.26 1.25 0.02 0.00 -0.61 0.00 0.00 39.78 40.69 2xf2 n ASN 370 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2xf2 s ARG 371 N -3.30 3.41 0.79 3.52 0.52 -0.38 -4.85 118.95 118.66 2xf2 s ARG 371 Ca -0.00 1.94 -0.12 0.00 -0.52 0.00 0.00 55.73 57.03 2xf2 s ARG 371 Cb 0.14 -2.27 0.07 0.00 0.52 0.00 0.00 34.95 33.40 2xf2 s ARG 371 CO 0.85 -0.88 1.16 -1.25 0.02 0.00 0.00 175.30 175.21 2xf2 s PRO 372 N -2.88 2.12 -0.26 3.54 0.04 -1.26 -4.98 135.00 131.32 2xf2 s PRO 372 Ca 0.69 0.18 0.12 0.00 0.04 0.00 0.00 61.00 62.03 2xf2 s PRO 372 Cb -0.33 -1.96 0.61 0.00 0.04 0.00 0.00 34.50 32.86 2xf2 s PRO 372 CO 0.39 -1.50 1.58 0.54 0.04 0.00 0.00 177.00 178.05 2xf2 n ARG 373 N -3.27 3.03 -4.36 4.56 5.12 -1.26 -4.94 116.66 115.54 2xf2 n ARG 373 Ca 0.08 -3.02 -0.19 0.00 -1.93 0.00 0.00 57.85 52.79 2xf2 n ARG 373 Cb 0.60 -1.99 -0.10 0.00 -1.16 0.00 0.00 32.46 29.81 2xf2 n ARG 373 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2xf2 s ALA 374 N -2.98 2.03 0.56 7.54 0.00 -1.26 -4.84 121.76 122.81 2xf2 s ALA 374 Ca 0.48 -1.72 -0.21 0.00 0.00 0.00 0.00 51.96 50.51 2xf2 s ALA 374 Cb 0.39 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 2xf2 s ALA 374 CO 0.09 -0.01 1.31 -2.14 0.00 0.00 0.00 175.76 175.00 2xf2 s PRO 375 N -3.70 3.09 -0.18 0.00 0.02 -1.26 -5.02 135.00 127.95 2xf2 s PRO 375 Ca 0.24 2.10 -0.00 0.00 0.02 0.00 0.00 61.00 63.36 2xf2 s PRO 375 Cb 0.01 -2.16 0.00 0.00 0.02 0.00 0.00 34.50 32.38 2xf2 s PRO 375 CO 0.08 -1.19 -0.14 0.42 -0.33 0.00 0.00 177.00 175.83 2xf2 s ILE 376 N -1.38 2.62 -0.27 2.83 1.01 -1.26 -5.04 121.20 119.71 2xf2 s ILE 376 Ca 0.73 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 60.60 2xf2 s ILE 376 Cb -0.37 -2.13 0.12 0.00 0.01 0.00 0.00 42.46 40.09 2xf2 s ILE 376 CO 0.43 0.50 0.24 -1.00 0.00 0.00 0.00 174.94 175.11 2xf2 s HIS 377 N 1.09 -0.23 0.35 3.97 3.76 -1.26 -5.14 115.29 117.83 2xf2 s HIS 377 Ca -0.00 -0.25 -0.09 0.00 -0.15 0.00 0.00 55.06 54.57 2xf2 s HIS 377 Cb -0.14 -0.55 0.03 0.00 1.11 0.00 0.00 32.58 33.03 2xf2 s HIS 377 CO -0.05 -0.82 0.62 0.27 -0.85 0.00 0.00 174.74 173.91 2xf2 n ASN 378 N 5.30 -1.78 -1.38 1.40 0.23 -1.26 -4.94 115.26 112.83 2xf2 n ASN 378 Ca -0.04 -2.62 0.09 0.00 -0.53 0.00 0.00 54.58 51.47 2xf2 n ASN 378 Cb 0.46 3.08 0.32 0.00 -2.08 0.00 0.00 39.78 41.56 2xf2 n ASN 378 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2xf2 n ASN 379 N -1.56 4.50 -4.77 0.53 3.02 -1.26 -4.94 115.26 110.78 2xf2 n ASN 379 Ca -0.04 -2.55 -0.40 0.00 -0.03 0.00 0.00 54.58 51.56 2xf2 n ASN 379 Cb 0.56 -0.54 -0.03 0.00 -0.61 0.00 0.00 39.78 39.16 2xf2 n ASN 379 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2xf2 s ASN 380 N -1.09 6.82 0.04 6.41 0.01 -1.26 -4.85 114.94 121.02 2xf2 s ASN 380 Ca 0.47 2.43 -0.01 0.00 -0.71 0.00 0.00 52.86 55.03 2xf2 s ASN 380 Cb 0.32 -2.63 -0.03 0.00 0.41 0.00 0.00 41.25 39.31 2xf2 s ASN 380 CO 0.20 -0.48 -0.03 -0.13 -1.51 0.00 0.00 177.10 175.16 2xf2 s ARG 381 N -1.90 0.51 5.03 -0.60 1.81 -1.26 -5.09 118.95 117.46 2xf2 s ARG 381 Ca 0.51 -1.01 0.00 0.00 -1.72 0.00 0.00 55.73 53.50 2xf2 s ARG 381 Cb -0.34 0.18 0.00 0.00 -0.45 0.00 0.00 34.95 34.34 2xf2 s ARG 381 CO 0.44 -0.09 0.00 -0.25 -0.68 0.00 0.00 175.30 174.71 2xf2 n ASP 382 N 0.60 0.00 0.00 0.23 8.00 -1.26 -5.05 116.55 119.07 2xf2 n ASP 382 Ca -0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.33 2xf2 n ASP 382 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 2xf2 n ASP 382 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2xf2 n GLY 383 N 0.00 -1.27 3.57 0.44 0.00 -1.26 -4.67 105.19 102.00 2xf2 n GLY 383 Ca 0.00 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 2xf2 n GLY 383 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xf2 n ALA 384 N -0.31 -0.28 -2.55 4.61 0.00 -1.26 -2.92 120.51 117.80 2xf2 n ALA 384 Ca 0.00 0.24 -0.12 0.00 0.00 0.00 0.00 53.44 53.56 2xf2 n ALA 384 Cb 0.00 -2.00 0.01 0.00 0.00 0.00 0.00 19.45 17.46 2xf2 n ALA 384 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xf2 n GLY 385 N 1.33 0.02 3.60 0.00 0.00 -1.26 -4.26 105.19 104.61 2xf2 n GLY 385 Ca 0.10 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 2xf2 n GLY 385 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2xf2 s GLN 386 N -5.00 3.54 0.00 1.61 2.00 -1.15 -4.83 119.66 115.83 2xf2 s GLN 386 Ca 0.12 1.05 0.24 0.00 -2.00 0.00 0.00 55.36 54.77 2xf2 s GLN 386 Cb -0.05 -4.05 0.24 0.00 0.80 0.00 0.00 33.01 29.94 2xf2 s GLN 386 CO 0.15 -1.61 1.27 -1.33 -0.50 0.00 0.00 175.29 173.27 2xf2 n MET 387 N 8.12 1.83 -4.14 1.67 2.81 -1.26 -4.93 117.12 121.22 2xf2 n MET 387 Ca 0.18 -1.46 -0.23 0.00 -1.81 0.00 0.00 57.70 54.38 2xf2 n MET 387 Cb 0.48 -1.47 -0.06 0.00 -0.71 0.00 0.00 33.22 31.46 2xf2 n MET 387 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 2xf2 s PHE 388 N -2.18 2.79 -0.39 2.03 0.08 -1.26 -5.10 117.98 113.95 2xf2 s PHE 388 Ca 0.26 -0.27 0.03 0.00 0.12 0.00 0.00 56.93 57.07 2xf2 s PHE 388 Cb 0.19 -1.47 0.11 0.00 -0.57 0.00 0.00 43.02 41.29 2xf2 s PHE 388 CO 0.40 0.45 0.12 0.42 -0.10 0.00 0.00 175.22 176.51 2xf2 s ILE 389 N -2.33 2.18 0.03 0.64 1.01 -1.26 -5.07 121.20 116.40 2xf2 s ILE 389 Ca 0.35 -2.52 -0.30 0.00 0.00 0.00 0.00 60.65 58.18 2xf2 s ILE 389 Cb -0.05 -2.58 -0.06 0.00 0.01 0.00 0.00 42.46 39.77 2xf2 s ILE 389 CO 0.23 -0.67 1.47 -2.84 0.00 0.00 0.00 174.94 173.12 2xf2 s PRO 390 N 0.64 4.26 0.34 2.79 0.02 -1.26 -4.92 135.00 136.87 2xf2 s PRO 390 Ca 0.13 2.08 0.18 0.00 0.02 0.00 0.00 61.00 63.41 2xf2 s PRO 390 Cb -0.21 -3.55 0.23 0.00 0.02 0.00 0.00 34.50 30.99 2xf2 s PRO 390 CO -0.07 -0.61 1.53 -0.07 -0.33 0.00 0.00 177.00 177.45 2xf2 h LEU 391 N 8.25 0.00 -8.77 -5.54 3.38 -2.01 -3.44 115.31 107.18 2xf2 h LEU 391 Ca -0.40 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 56.99 2xf2 h LEU 391 Cb 1.19 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.85 2xf2 h LEU 391 CO 0.91 0.34 0.72 -0.62 0.09 0.00 0.00 178.44 179.88 2xf2 s ASP 392 N -6.36 6.65 0.00 -0.43 2.15 -1.26 -4.90 116.67 112.51 2xf2 s ASP 392 Ca 0.04 0.48 0.30 0.00 0.43 0.00 0.00 52.55 53.80 2xf2 s ASP 392 Cb 0.07 -2.50 1.54 0.00 -0.30 0.00 0.00 42.92 41.74 2xf2 s ASP 392 CO 0.71 -1.03 2.04 -0.81 -0.17 0.00 0.00 175.17 175.91 2xf2 n PRO 393 N 7.21 0.92 -3.53 4.34 -0.04 -1.26 -4.35 135.00 138.29 2xf2 n PRO 393 Ca 0.09 -0.20 -0.32 0.00 -0.04 0.00 0.00 63.50 63.03 2xf2 n PRO 393 Cb 0.48 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.38 2xf2 n PRO 393 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2xf2 n ASN 394 N -0.87 4.09 -3.70 3.54 3.02 -1.26 -5.00 115.26 115.10 2xf2 n ASN 394 Ca 0.19 -3.30 -0.41 0.00 -0.03 0.00 0.00 54.58 51.02 2xf2 n ASN 394 Cb 0.21 -0.88 0.00 0.00 -0.61 0.00 0.00 39.78 38.50 2xf2 n ASN 394 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2xf2 n ALA 395 N 1.56 6.02 -3.06 5.41 0.00 -1.26 -4.82 120.51 124.36 2xf2 n ALA 395 Ca 0.25 -4.25 -0.12 0.00 0.00 0.00 0.00 53.44 49.32 2xf2 n ALA 395 Cb 0.37 -2.83 -0.06 0.00 0.00 0.00 0.00 19.45 16.94 2xf2 n ALA 395 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2xf2 s TYR 396 N -0.62 -0.22 0.03 0.00 1.13 -1.26 -4.87 117.35 111.54 2xf2 s TYR 396 Ca 0.45 0.04 0.07 0.00 -1.41 0.00 0.00 57.07 56.22 2xf2 s TYR 396 Cb 0.14 0.22 -0.02 0.00 -1.10 0.00 0.00 41.96 41.19 2xf2 s TYR 396 CO -0.04 -0.62 -0.19 -1.12 -2.51 0.00 0.00 175.55 171.07 2xf2 s SER 397 N -2.37 2.31 0.45 -0.18 0.01 -1.26 -4.04 113.70 108.62 2xf2 s SER 397 Ca -0.01 -0.48 -0.20 0.00 1.31 0.00 0.00 55.95 56.57 2xf2 s SER 397 Cb 0.01 -0.20 -0.10 0.00 0.21 0.00 0.00 66.02 65.93 2xf2 s SER 397 CO -0.07 0.16 0.96 -2.16 0.41 0.00 0.00 173.24 172.54 2xf2 s PRO 398 N -1.02 4.16 0.09 12.44 0.04 -1.26 -5.18 135.00 144.26 2xf2 s PRO 398 Ca 0.07 1.10 0.03 0.00 0.04 0.00 0.00 61.00 62.24 2xf2 s PRO 398 Cb -0.08 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 2xf2 s PRO 398 CO 0.01 -0.09 -0.09 0.54 0.04 0.00 0.00 177.00 177.42 2xf2 s ASN 399 N -2.32 1.25 -0.06 6.66 2.20 -1.26 -5.01 114.94 116.40 2xf2 s ASN 399 Ca 0.62 -0.81 0.12 0.00 -0.94 0.00 0.00 52.86 51.85 2xf2 s ASN 399 Cb -0.09 0.04 -0.19 0.00 -2.00 0.00 0.00 41.25 39.01 2xf2 s ASN 399 CO 0.16 -0.31 0.20 0.35 -2.94 0.00 0.00 177.10 174.56 2xf2 n THR 400 N 0.58 0.33 0.27 0.54 -2.24 -1.26 -2.54 114.28 109.95 2xf2 n THR 400 Ca -0.16 -0.39 0.13 0.00 -2.27 0.00 0.00 64.05 61.35 2xf2 n THR 400 Cb 0.58 -0.14 0.77 0.00 -2.10 0.00 0.00 70.33 69.44 2xf2 n THR 400 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2xf2 h GLU 401 N 0.00 0.00 -0.17 -0.78 4.39 -1.96 -0.55 114.58 115.51 2xf2 h GLU 401 Ca -0.13 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.49 2xf2 h GLU 401 Cb 1.05 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.65 2xf2 h GLU 401 CO 0.01 0.07 -0.23 -1.71 -1.16 0.00 0.00 179.01 175.99 2xf2 n ASN 402 N -3.85 2.26 -2.34 1.42 5.15 -1.26 -4.97 115.26 111.66 2xf2 n ASN 402 Ca -0.02 -3.71 -0.18 0.00 -0.60 0.00 0.00 54.58 50.07 2xf2 n ASN 402 Cb 0.17 -0.57 -0.01 0.00 -0.53 0.00 0.00 39.78 38.83 2xf2 n ASN 402 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2xf2 n LYS 403 N -1.11 -1.82 -0.73 1.20 5.02 -0.21 -2.12 118.16 118.38 2xf2 n LYS 403 Ca 0.25 0.90 0.00 0.00 -2.02 0.00 0.00 58.31 57.44 2xf2 n LYS 403 Cb 0.85 -5.52 0.00 0.00 -0.02 0.00 0.00 35.03 30.35 2xf2 n LYS 403 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2xf2 n GLY 404 N -0.90 0.67 3.75 0.72 0.00 -1.05 -5.00 105.19 103.38 2xf2 n GLY 404 Ca -0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 2xf2 n GLY 404 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2xf2 s SER 405 N -2.15 5.44 0.52 1.61 0.15 -0.90 -3.83 113.70 114.54 2xf2 s SER 405 Ca 0.00 0.01 -0.22 0.00 0.70 0.00 0.00 55.95 56.43 2xf2 s SER 405 Cb 0.00 -1.46 -0.06 0.00 -1.71 0.00 0.00 66.02 62.79 2xf2 s SER 405 CO 0.00 0.21 1.30 -2.84 1.20 0.00 0.00 173.24 173.11 2xf2 s PRO 406 N -2.12 3.34 0.04 5.44 0.02 -1.26 -4.77 135.00 135.69 2xf2 s PRO 406 Ca 0.26 2.11 -0.13 0.00 0.02 0.00 0.00 61.00 63.26 2xf2 s PRO 406 Cb -0.12 -2.32 -0.06 0.00 0.02 0.00 0.00 34.50 32.03 2xf2 s PRO 406 CO 0.18 -0.99 0.42 0.15 -0.33 0.00 0.00 177.00 176.42 2xf2 s LYS 407 N -2.83 3.85 0.29 5.54 1.02 -1.25 -5.00 119.74 121.37 2xf2 s LYS 407 Ca 0.69 0.32 -0.30 0.00 0.02 0.00 0.00 55.97 56.70 2xf2 s LYS 407 Cb -0.37 -3.11 -0.11 0.00 -0.52 0.00 0.00 37.83 33.73 2xf2 s LYS 407 CO 0.44 0.62 1.52 -0.65 -0.92 0.00 0.00 175.35 176.36 2xf2 s GLN 408 N -1.49 4.18 -0.07 1.68 -1.52 -1.26 -5.02 119.66 116.16 2xf2 s GLN 408 Ca 0.29 2.47 0.04 0.00 -1.95 0.00 0.00 55.36 56.21 2xf2 s GLN 408 Cb -0.15 -3.04 -0.02 0.00 -0.22 0.00 0.00 33.01 29.58 2xf2 s GLN 408 CO 0.16 -0.53 -0.19 0.00 -0.25 0.00 0.00 175.29 174.48 2xf2 s ALA 409 N -0.23 2.44 0.00 6.09 0.00 -1.26 -4.81 121.76 123.99 2xf2 s ALA 409 Ca 0.60 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.56 2xf2 s ALA 409 Cb -0.45 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 21.79 2xf2 s ALA 409 CO 0.49 0.45 0.00 0.27 0.00 0.00 0.00 175.76 176.97 2xf2 n ASN 410 N 2.78 0.00 -0.33 0.00 0.23 0.81 -4.44 115.26 114.30 2xf2 n ASN 410 Ca -0.17 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.88 2xf2 n ASN 410 Cb 0.52 0.00 0.17 0.00 -2.08 0.00 0.00 39.78 38.39 2xf2 n ASN 410 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2xf2 h GLU 411 N 0.00 1.19 0.00 -3.83 4.81 -1.79 -0.30 114.58 114.66 2xf2 h GLU 411 Ca 0.00 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2xf2 h GLU 411 Cb 0.00 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.11 2xf2 h GLU 411 CO 0.00 0.78 -1.88 0.25 -0.73 0.00 0.00 179.01 177.43 2xf2 n THR 412 N -4.42 0.02 -4.68 0.32 -2.24 -1.26 -4.75 114.28 97.27 2xf2 n THR 412 Ca 0.12 -0.44 -0.24 0.00 -2.27 0.00 0.00 64.05 61.22 2xf2 n THR 412 Cb 0.07 0.05 -0.15 0.00 -2.10 0.00 0.00 70.33 68.20 2xf2 n THR 412 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2xf2 s VAL 413 N -3.31 1.34 -0.33 2.28 -7.23 -1.23 -4.85 120.40 107.07 2xf2 s VAL 413 Ca -0.07 -0.85 0.00 0.00 -1.81 0.00 0.00 61.98 59.25 2xf2 s VAL 413 Cb 0.12 -1.14 0.00 0.00 0.56 0.00 0.00 36.38 35.92 2xf2 s VAL 413 CO 0.79 0.28 0.00 0.61 -0.31 0.00 0.00 175.10 176.47 2xf2 n GLY 414 N 2.38 0.49 3.71 2.32 0.00 -1.26 -0.14 105.19 112.70 2xf2 n GLY 414 Ca -0.16 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 2xf2 n GLY 414 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2xf2 n LYS 415 N -1.19 -6.76 -1.62 1.61 5.02 -1.26 -4.77 118.16 109.20 2xf2 n LYS 415 Ca -0.03 0.73 -0.33 0.00 -2.02 0.00 0.00 58.31 56.66 2xf2 n LYS 415 Cb 0.32 -5.69 0.07 0.00 -0.02 0.00 0.00 35.03 29.70 2xf2 n LYS 415 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2xf2 s GLY 416 N -3.48 2.20 0.55 0.72 0.00 -0.12 -4.86 107.32 102.33 2xf2 s GLY 416 Ca 0.52 0.66 -0.21 0.00 0.00 0.00 0.00 44.72 45.69 2xf2 s GLY 416 CO 0.77 1.03 1.31 -0.12 0.00 0.00 0.00 173.10 176.10 2xf2 s PHE 417 N -2.23 2.34 -0.07 1.90 5.36 -1.26 -4.37 117.98 119.64 2xf2 s PHE 417 Ca 0.69 1.42 -0.09 0.00 -0.96 0.00 0.00 56.93 57.99 2xf2 s PHE 417 Cb -0.23 -3.71 0.02 0.00 -0.34 0.00 0.00 43.02 38.76 2xf2 s PHE 417 CO 0.43 -2.68 0.24 -0.59 -1.46 0.00 0.00 175.22 171.17 2xf2 s PHE 418 N -1.37 -0.22 0.33 10.12 -0.71 -1.26 -4.51 117.98 120.36 2xf2 s PHE 418 Ca 0.72 0.51 -0.28 0.00 -1.04 0.00 0.00 56.93 56.84 2xf2 s PHE 418 Cb -0.38 0.08 -0.10 0.00 -1.21 0.00 0.00 43.02 41.41 2xf2 s PHE 418 CO 0.44 -0.19 1.21 0.99 -1.34 0.00 0.00 175.22 176.34 2xf2 s THR 419 N -0.26 3.04 -0.15 -4.49 2.01 -1.26 -4.86 115.64 109.68 2xf2 s THR 419 Ca -0.04 1.02 -0.36 0.00 0.31 0.00 0.00 61.69 62.63 2xf2 s THR 419 Cb -0.03 -3.64 -0.13 0.00 0.01 0.00 0.00 72.50 68.71 2xf2 s THR 419 CO 0.01 0.22 1.85 0.00 -0.69 0.00 0.00 174.62 176.01 2xf2 n ALA 420 N 0.80 0.60 0.32 7.40 0.00 -1.26 -4.83 120.51 123.54 2xf2 n ALA 420 Ca 0.00 0.30 0.21 0.00 0.00 0.00 0.00 53.44 53.96 2xf2 n ALA 420 Cb 0.44 -2.43 1.04 0.00 0.00 0.00 0.00 19.45 18.50 2xf2 n ALA 420 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2xf2 h PRO 421 N 8.77 0.00 -0.09 0.00 0.13 -1.91 -2.77 132.00 136.12 2xf2 h PRO 421 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2xf2 h PRO 421 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2xf2 h PRO 421 CO 0.95 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.12 2xf2 n GLU 422 N -3.09 2.14 -1.98 0.86 -0.58 -1.26 -4.93 120.64 111.80 2xf2 n GLU 422 Ca -0.02 -1.67 -0.41 0.00 -0.42 0.00 0.00 57.16 54.63 2xf2 n GLU 422 Cb 0.15 -1.47 -0.02 0.00 -0.57 0.00 0.00 31.44 29.53 2xf2 n GLU 422 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2xf2 s ARG 423 N -1.91 4.25 0.12 3.49 0.52 -1.05 -5.01 118.95 119.36 2xf2 s ARG 423 Ca 0.32 2.35 0.03 0.00 -0.52 0.00 0.00 55.73 57.91 2xf2 s ARG 423 Cb 0.20 -3.08 -0.04 0.00 0.52 0.00 0.00 34.95 32.55 2xf2 s ARG 423 CO 0.31 -0.43 -0.08 0.95 0.02 0.00 0.00 175.30 176.07 2xf2 s THR 424 N -0.22 0.91 0.07 0.02 -4.23 -1.26 -5.09 115.64 105.85 2xf2 s THR 424 Ca 0.58 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 59.18 2xf2 s THR 424 Cb -0.43 -1.78 -0.03 0.00 1.34 0.00 0.00 72.50 71.59 2xf2 s THR 424 CO 0.46 -0.79 -0.22 0.00 -0.54 0.00 0.00 174.62 173.53 2xf2 s ALA 425 N -3.49 2.49 -0.28 3.99 0.00 -1.26 -5.13 121.76 118.08 2xf2 s ALA 425 Ca 0.15 -1.30 -0.13 0.00 0.00 0.00 0.00 51.96 50.68 2xf2 s ALA 425 Cb 0.04 -0.59 0.10 0.00 0.00 0.00 0.00 23.12 22.67 2xf2 s ALA 425 CO -0.02 0.56 0.66 0.45 0.00 0.00 0.00 175.76 177.41 2xf2 s SER 426 N -1.65 -1.01 0.00 0.00 0.15 -1.26 -5.16 113.70 104.78 2xf2 s SER 426 Ca 0.14 1.52 0.00 0.00 0.70 0.00 0.00 55.95 58.31 2xf2 s SER 426 Cb -0.10 1.76 0.00 0.00 -1.71 0.00 0.00 66.02 65.96 2xf2 s SER 426 CO 0.06 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.88 2xf2 n GLY 427 N 4.81 0.81 3.78 9.45 0.00 -1.26 -5.06 105.19 117.73 2xf2 n GLY 427 Ca -0.16 -2.23 -0.37 0.00 0.00 0.00 0.00 46.02 43.26 2xf2 n GLY 427 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2xf2 s LYS 428 N -0.89 4.56 0.19 1.61 1.02 -1.26 -5.00 119.74 119.97 2xf2 s LYS 428 Ca 0.00 1.35 -0.31 0.00 0.02 0.00 0.00 55.97 57.02 2xf2 s LYS 428 Cb 0.00 -2.79 -0.10 0.00 -0.52 0.00 0.00 37.83 34.42 2xf2 s LYS 428 CO 0.00 0.25 1.56 -0.51 -0.92 0.00 0.00 175.35 175.74 2xf2 s LEU 429 N -2.08 4.37 0.02 3.17 1.43 -1.26 -4.98 118.68 119.34 2xf2 s LEU 429 Ca 0.51 2.67 -0.24 0.00 -1.03 0.00 0.00 54.13 56.04 2xf2 s LEU 429 Cb -0.19 -3.60 0.05 0.00 0.03 0.00 0.00 46.19 42.48 2xf2 s LEU 429 CO 0.24 -0.83 0.53 0.00 0.23 0.00 0.00 176.35 176.53 2xf2 s GLN 430 N 0.81 1.00 -0.69 1.70 -2.07 -1.26 -5.09 119.66 114.06 2xf2 s GLN 430 Ca 0.68 -0.11 -0.03 0.00 -1.82 0.00 0.00 55.36 54.09 2xf2 s GLN 430 Cb -0.44 0.46 0.18 0.00 -1.09 0.00 0.00 33.01 32.11 2xf2 s GLN 430 CO 0.34 -0.34 0.52 1.03 -1.32 0.00 0.00 175.29 175.52 2xf2 s ARG 431 N -2.00 2.74 0.06 9.60 0.52 -1.26 -5.06 118.95 123.56 2xf2 s ARG 431 Ca -0.08 -2.69 -0.01 0.00 -0.52 0.00 0.00 55.73 52.44 2xf2 s ARG 431 Cb -0.01 -3.80 -0.04 0.00 0.52 0.00 0.00 34.95 31.62 2xf2 s ARG 431 CO 0.02 -1.20 -0.02 0.95 0.02 0.00 0.00 175.30 175.07 2xf2 s THR 432 N -0.33 0.20 -0.21 0.02 -4.23 -1.26 -5.13 115.64 104.71 2xf2 s THR 432 Ca 0.19 -1.82 -0.19 0.00 -1.18 0.00 0.00 61.69 58.69 2xf2 s THR 432 Cb -0.17 -1.60 -0.03 0.00 1.34 0.00 0.00 72.50 72.04 2xf2 s THR 432 CO -0.05 -0.92 0.55 -0.22 -0.54 0.00 0.00 174.62 173.44 2xf2 s LEU 433 N -2.94 4.13 0.28 4.79 2.96 -1.26 -5.04 118.68 121.60 2xf2 s LEU 433 Ca 0.10 0.70 -0.30 0.00 -0.22 0.00 0.00 54.13 54.40 2xf2 s LEU 433 Cb 0.08 -2.75 -0.13 0.00 0.50 0.00 0.00 46.19 43.89 2xf2 s LEU 433 CO -0.08 -0.22 1.44 -0.24 -1.32 0.00 0.00 176.35 175.93 2xf2 n SER 434 N 4.96 3.11 0.31 3.68 2.88 -1.26 -4.85 113.62 122.45 2xf2 n SER 434 Ca -0.04 1.16 0.20 0.00 -1.33 0.00 0.00 58.87 58.86 2xf2 n SER 434 Cb 0.50 -1.50 0.96 0.00 -0.75 0.00 0.00 64.21 63.42 2xf2 n SER 434 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 2xf2 h THR 435 N 3.02 0.06 0.00 2.46 1.35 -2.04 -2.13 112.91 115.62 2xf2 h THR 435 Ca -0.46 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 2xf2 h THR 435 Cb 1.26 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 2xf2 h THR 435 CO 0.73 0.01 0.00 0.35 -0.25 0.00 0.00 175.52 176.36 2xf2 n THR 436 N -3.14 0.41 0.47 6.82 -2.24 -1.26 -3.58 114.28 111.76 2xf2 n THR 436 Ca -0.01 0.10 0.12 0.00 -2.27 0.00 0.00 64.05 61.99 2xf2 n THR 436 Cb 0.18 -0.73 0.19 0.00 -2.10 0.00 0.00 70.33 67.87 2xf2 n THR 436 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2xf2 n PHE 437 N -1.42 0.38 0.55 4.78 3.01 -0.80 -4.28 117.46 119.68 2xf2 n PHE 437 Ca 0.07 -0.19 0.13 0.00 1.01 0.00 0.00 57.45 58.47 2xf2 n PHE 437 Cb 0.23 -0.00 0.34 0.00 -0.01 0.00 0.00 39.48 40.04 2xf2 n PHE 437 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2xf2 h GLU 438 N 4.54 0.00 -5.91 -1.08 5.08 -1.74 -3.41 114.58 112.05 2xf2 h GLU 438 Ca 0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 2xf2 h GLU 438 Cb 0.99 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.13 2xf2 h GLU 438 CO 0.00 0.00 0.87 1.21 -1.00 0.00 0.00 179.01 180.09 2xf2 s ASN 439 N -4.79 6.21 0.00 1.42 3.84 -1.26 -4.84 114.94 115.52 2xf2 s ASN 439 Ca 0.10 -0.80 0.26 0.00 0.21 0.00 0.00 52.86 52.62 2xf2 s ASN 439 Cb 0.11 -2.50 0.66 0.00 -0.55 0.00 0.00 41.25 38.98 2xf2 s ASN 439 CO 0.62 -1.62 1.53 0.59 -2.79 0.00 0.00 177.10 175.42 2xf2 n ASN 440 N 8.55 2.16 0.00 -4.21 3.02 -1.26 -4.60 115.26 118.92 2xf2 n ASN 440 Ca 0.03 -1.72 0.00 0.00 -0.03 0.00 0.00 54.58 52.86 2xf2 n ASN 440 Cb 0.48 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 2xf2 n ASN 440 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 2xf2 n TRP 441 N 0.69 0.00 -0.17 3.10 8.01 -1.26 -4.58 117.44 123.22 2xf2 n TRP 441 Ca 0.17 0.00 -0.08 0.00 -1.31 0.00 0.00 57.50 56.28 2xf2 n TRP 441 Cb 0.46 0.00 0.02 0.00 -2.01 0.00 0.00 31.31 29.78 2xf2 n TRP 441 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.69 177.45 2xf2 h SER 442 N 0.00 0.64 -0.22 -0.99 0.02 -1.81 -2.48 113.55 108.71 2xf2 h SER 442 Ca 0.00 -0.10 -0.18 0.00 -0.84 0.00 0.00 61.79 60.67 2xf2 h SER 442 Cb 0.94 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2xf2 h SER 442 CO 0.00 0.56 -0.57 1.56 -1.14 0.00 0.00 176.83 177.25 2xf2 h GLN 443 N 0.67 0.77 -1.00 3.45 4.20 -1.87 -1.13 115.11 120.19 2xf2 h GLN 443 Ca 0.18 -0.54 0.20 0.00 0.06 0.00 0.00 58.65 58.55 2xf2 h GLN 443 Cb 0.07 0.08 -0.11 0.00 0.30 0.00 0.00 27.48 27.83 2xf2 h GLN 443 CO -0.03 1.16 0.61 -1.35 -0.67 0.00 0.00 178.83 178.55 2xf2 h PRO 444 N 0.50 0.71 -0.53 1.46 0.11 -1.80 -0.64 132.00 131.82 2xf2 h PRO 444 Ca -0.01 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.96 2xf2 h PRO 444 Cb 1.18 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 2xf2 h PRO 444 CO 0.12 0.47 -0.06 -0.09 -0.21 0.00 0.00 178.00 178.23 2xf2 h ARG 445 N 0.73 0.95 -0.40 1.05 9.65 -1.14 -0.82 114.38 124.41 2xf2 h ARG 445 Ca 0.59 -0.31 0.05 0.00 -1.10 0.00 0.00 59.98 59.21 2xf2 h ARG 445 Cb 0.96 -0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 29.41 2xf2 h ARG 445 CO -0.39 0.97 0.12 1.25 2.80 0.00 0.00 179.97 184.72 2xf2 h LEU 446 N 0.86 0.11 -0.03 3.80 5.85 -0.35 0.41 115.31 125.94 2xf2 h LEU 446 Ca 0.15 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 2xf2 h LEU 446 Cb 0.59 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 2xf2 h LEU 446 CO 0.04 0.09 0.02 0.15 -0.34 0.00 0.00 178.44 178.40 2xf2 h PHE 447 N 0.27 0.05 -0.36 1.25 3.57 -0.83 -2.74 116.94 118.16 2xf2 h PHE 447 Ca 0.19 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.75 2xf2 h PHE 447 Cb 0.19 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.86 2xf2 h PHE 447 CO -0.16 0.16 0.00 2.35 -2.23 0.00 0.00 178.31 178.43 2xf2 h TRP 448 N -0.08 -0.01 -0.15 0.41 2.91 -0.94 -1.44 115.95 116.65 2xf2 h TRP 448 Ca 0.01 0.03 0.04 0.00 1.13 0.00 0.00 58.89 60.10 2xf2 h TRP 448 Cb 0.13 0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 28.83 2xf2 h TRP 448 CO -0.03 -0.06 0.14 -0.91 -1.03 0.00 0.00 178.44 176.55 2xf2 h ASN 449 N 0.10 0.00 0.21 2.65 2.35 -0.82 -3.05 115.58 117.03 2xf2 h ASN 449 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 2xf2 h ASN 449 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 2xf2 h ASN 449 CO -0.29 0.00 -0.23 -1.20 -1.65 0.00 0.00 177.43 174.06 2xf2 n SER 450 N -4.07 1.07 -4.88 5.81 7.64 -0.54 -4.92 113.62 113.73 2xf2 n SER 450 Ca 0.01 -0.95 -0.31 0.00 1.01 0.00 0.00 58.87 58.63 2xf2 n SER 450 Cb 0.26 0.12 -0.05 0.00 -1.01 0.00 0.00 64.21 63.54 2xf2 n SER 450 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2xf2 s LEU 451 N -2.45 4.10 0.74 -3.43 1.43 -1.15 -4.64 118.68 113.26 2xf2 s LEU 451 Ca 0.26 0.92 -0.13 0.00 -1.03 0.00 0.00 54.13 54.14 2xf2 s LEU 451 Cb 0.19 -3.71 0.04 0.00 0.03 0.00 0.00 46.19 42.75 2xf2 s LEU 451 CO 0.50 -0.15 1.13 0.68 0.23 0.00 0.00 176.35 178.75 2xf2 s VAL 452 N -1.95 2.87 0.29 -1.59 -7.23 -1.26 -4.80 120.40 106.73 2xf2 s VAL 452 Ca 0.47 0.36 0.02 0.00 -1.81 0.00 0.00 61.98 61.02 2xf2 s VAL 452 Cb -0.11 -2.81 0.29 0.00 0.56 0.00 0.00 36.38 34.31 2xf2 s VAL 452 CO 0.24 -0.29 1.84 0.78 -0.31 0.00 0.00 175.10 177.36 2xf2 h ASN 453 N -0.61 0.92 -0.80 4.85 2.35 -1.98 -1.17 115.58 119.14 2xf2 h ASN 453 Ca -0.46 0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.31 2xf2 h ASN 453 Cb 1.26 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 39.45 2xf2 h ASN 453 CO 0.50 0.50 0.39 0.00 -1.65 0.00 0.00 177.43 177.17 2xf2 h ALA 454 N 1.54 1.17 -0.04 -0.83 0.00 -1.94 -1.80 119.26 117.37 2xf2 h ALA 454 Ca 0.49 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 55.07 2xf2 h ALA 454 Cb 0.48 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2xf2 h ALA 454 CO -0.25 0.63 -0.75 0.37 0.00 0.00 0.00 179.25 179.25 2xf2 h GLN 455 N 1.15 0.26 -0.64 0.00 4.15 -1.60 -0.03 115.11 118.39 2xf2 h GLN 455 Ca 0.28 -0.22 0.05 0.00 0.77 0.00 0.00 58.65 59.52 2xf2 h GLN 455 Cb 0.10 0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.80 2xf2 h GLN 455 CO -0.04 0.89 0.37 0.87 -1.93 0.00 0.00 178.83 178.99 2xf2 h LYS 456 N 0.17 0.67 -0.62 1.69 1.57 -1.18 -1.73 116.57 117.13 2xf2 h LYS 456 Ca -0.03 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 2xf2 h LYS 456 Cb 1.32 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.45 2xf2 h LYS 456 CO 0.12 0.44 0.18 1.49 -0.57 0.00 0.00 179.45 181.11 2xf2 h GLU 457 N 0.69 0.98 -0.77 3.15 4.57 -0.85 -1.82 114.58 120.54 2xf2 h GLU 457 Ca 0.28 -0.22 0.01 0.00 -1.18 0.00 0.00 59.36 58.24 2xf2 h GLU 457 Cb 0.13 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.54 2xf2 h GLU 457 CO -0.15 0.88 0.50 0.74 -1.18 0.00 0.00 179.01 179.80 2xf2 h PHE 458 N 0.90 0.97 0.00 0.92 0.04 -0.67 0.37 116.94 119.48 2xf2 h PHE 458 Ca 0.20 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.99 2xf2 h PHE 458 Cb 0.32 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 38.14 2xf2 h PHE 458 CO 0.02 0.62 -0.00 0.82 -0.60 0.00 0.00 178.31 179.17 2xf2 h ILE 459 N 1.04 1.16 -0.40 -0.55 2.04 -1.07 0.18 117.51 119.92 2xf2 h ILE 459 Ca 0.28 -0.50 0.07 0.00 1.00 0.00 0.00 64.86 65.71 2xf2 h ILE 459 Cb -0.11 1.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.41 2xf2 h ILE 459 CO -0.06 0.13 0.05 0.58 0.00 0.00 0.00 178.15 178.85 2xf2 h VAL 460 N -0.22 0.76 -0.41 1.67 2.07 -0.81 -0.37 116.25 118.94 2xf2 h VAL 460 Ca -0.00 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 2xf2 h VAL 460 Cb 0.22 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2xf2 h VAL 460 CO 0.00 0.03 -0.02 0.44 0.02 0.00 0.00 177.57 178.04 2xf2 h ASP 461 N 0.17 0.64 -0.27 0.57 3.32 -0.16 0.87 116.42 121.55 2xf2 h ASP 461 Ca 0.19 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 2xf2 h ASP 461 Cb 0.25 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2xf2 h ASP 461 CO -0.28 0.72 -0.04 0.00 -1.72 0.00 0.00 179.24 177.93 2xf2 h ALA 462 N 1.35 0.36 -0.24 3.45 0.00 -0.45 -1.30 119.26 122.43 2xf2 h ALA 462 Ca 0.12 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 2xf2 h ALA 462 Cb 0.43 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2xf2 h ALA 462 CO 0.02 0.14 -0.32 0.52 0.00 0.00 0.00 179.25 179.62 2xf2 h MET 463 N 0.26 0.49 -0.31 0.00 2.86 -0.76 -0.05 114.93 117.41 2xf2 h MET 463 Ca 0.07 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 2xf2 h MET 463 Cb 0.49 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 2xf2 h MET 463 CO 0.02 0.75 0.13 0.00 1.06 0.00 0.00 176.91 178.88 2xf2 h ARG 464 N 0.42 0.46 0.14 1.72 3.08 -0.79 -0.26 114.38 119.15 2xf2 h ARG 464 Ca 0.05 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2xf2 h ARG 464 Cb 0.76 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 2xf2 h ARG 464 CO 0.06 0.46 -0.11 0.35 -1.07 0.00 0.00 179.97 179.66 2xf2 h PHE 465 N 0.36 -0.29 -0.15 3.04 3.57 -0.95 -2.18 116.94 120.34 2xf2 h PHE 465 Ca 0.11 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 2xf2 h PHE 465 Cb 0.16 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2xf2 h PHE 465 CO -0.01 -0.18 0.00 0.93 -2.23 0.00 0.00 178.31 176.82 2xf2 h GLU 466 N -0.26 0.26 0.00 1.11 5.08 -0.93 -3.12 114.58 116.72 2xf2 h GLU 466 Ca -0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2xf2 h GLU 466 Cb 0.24 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2xf2 h GLU 466 CO -0.02 0.49 0.00 1.79 -1.00 0.00 0.00 179.01 180.27 2xf2 h THR 467 N 0.01 0.00 0.00 1.13 1.35 -1.11 -2.04 112.91 112.25 2xf2 h THR 467 Ca 0.04 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 2xf2 h THR 467 Cb 0.37 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 2xf2 h THR 467 CO 0.01 0.00 0.00 0.77 -0.25 0.00 0.00 175.52 176.05 2xf2 h SER 468 N 0.00 0.00 -0.16 5.36 4.64 -1.32 -2.38 113.55 119.69 2xf2 h SER 468 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2xf2 h SER 468 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2xf2 h SER 468 CO 0.00 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.55 2xf2 n ASN 469 N -2.92 1.86 -4.56 4.97 3.02 -0.77 -4.80 115.26 112.06 2xf2 n ASN 469 Ca 0.01 -1.72 -0.41 0.00 -0.03 0.00 0.00 54.58 52.43 2xf2 n ASN 469 Cb 0.27 -0.10 -0.09 0.00 -0.61 0.00 0.00 39.78 39.25 2xf2 n ASN 469 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2xf2 s VAL 470 N -1.80 5.12 0.12 2.41 1.01 -0.90 -4.49 120.40 121.87 2xf2 s VAL 470 Ca 0.34 0.24 -0.07 0.00 0.00 0.00 0.00 61.98 62.49 2xf2 s VAL 470 Cb 0.19 -3.85 -0.17 0.00 0.00 0.00 0.00 36.38 32.55 2xf2 s VAL 470 CO 0.28 -0.09 1.31 0.28 0.00 0.00 0.00 175.10 176.88 2xf2 h SER 471 N 8.40 0.69 -2.80 3.32 0.02 -1.87 -3.45 113.55 117.86 2xf2 h SER 471 Ca -0.29 -0.51 -0.55 0.00 -0.84 0.00 0.00 61.79 59.60 2xf2 h SER 471 Cb 1.14 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.47 2xf2 h SER 471 CO 0.71 1.30 0.93 -0.55 -1.14 0.00 0.00 176.83 178.07 2xf2 s SER 472 N -7.11 6.78 0.34 3.07 0.15 -1.26 -4.89 113.70 110.78 2xf2 s SER 472 Ca -0.08 2.14 0.11 0.00 0.70 0.00 0.00 55.95 58.83 2xf2 s SER 472 Cb 0.09 -2.55 0.60 0.00 -1.71 0.00 0.00 66.02 62.45 2xf2 s SER 472 CO 0.88 -0.80 1.76 0.77 1.20 0.00 0.00 173.24 177.05 2xf2 h SER 473 N 8.38 0.04 -0.01 5.45 4.64 -1.99 -1.96 113.55 128.10 2xf2 h SER 473 Ca -0.37 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2xf2 h SER 473 Cb 1.17 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2xf2 h SER 473 CO 0.93 0.47 0.01 0.58 -0.87 0.00 0.00 176.83 177.94 2xf2 h VAL 474 N 0.04 1.04 -0.22 0.95 2.07 -1.99 -0.80 116.25 117.34 2xf2 h VAL 474 Ca -0.00 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2xf2 h VAL 474 Cb 0.77 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 2xf2 h VAL 474 CO 0.06 0.03 0.11 0.58 0.02 0.00 0.00 177.57 178.37 2xf2 h VAL 475 N -0.03 1.12 -0.69 2.57 2.07 -1.93 -0.85 116.25 118.50 2xf2 h VAL 475 Ca 0.00 -0.33 0.06 0.00 0.82 0.00 0.00 66.70 67.25 2xf2 h VAL 475 Cb 0.05 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 2xf2 h VAL 475 CO -0.00 0.12 0.39 0.03 0.02 0.00 0.00 177.57 178.13 2xf2 h ARG 476 N 0.23 0.70 -0.37 1.57 3.08 -1.23 -0.47 114.38 117.90 2xf2 h ARG 476 Ca 0.08 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 2xf2 h ARG 476 Cb 0.09 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 2xf2 h ARG 476 CO -0.01 0.47 -0.01 -0.44 -1.07 0.00 0.00 179.97 178.91 2xf2 h ASP 477 N 0.72 0.65 -0.49 7.04 3.32 -0.96 -2.63 116.42 124.07 2xf2 h ASP 477 Ca 0.31 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2xf2 h ASP 477 Cb 0.18 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2xf2 h ASP 477 CO -0.18 0.81 0.31 0.44 -1.72 0.00 0.00 179.24 178.90 2xf2 h ASP 478 N 0.48 0.58 -0.15 6.45 3.32 -0.59 -1.75 116.42 124.76 2xf2 h ASP 478 Ca 0.10 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 2xf2 h ASP 478 Cb 0.48 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 2xf2 h ASP 478 CO 0.02 0.43 0.05 0.58 -1.72 0.00 0.00 179.24 178.60 2xf2 h VAL 479 N 0.68 1.18 -0.71 -1.35 2.07 -0.95 -2.31 116.25 114.86 2xf2 h VAL 479 Ca 0.18 -0.55 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 2xf2 h VAL 479 Cb -0.05 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 2xf2 h VAL 479 CO -0.04 0.17 0.27 0.40 0.02 0.00 0.00 177.57 178.39 2xf2 h ILE 480 N 0.06 1.25 -0.37 4.57 1.08 -1.09 0.00 117.51 123.01 2xf2 h ILE 480 Ca 0.05 -0.80 0.04 0.00 -0.39 0.00 0.00 64.86 63.76 2xf2 h ILE 480 Cb 0.22 0.44 -0.04 0.00 -3.07 0.00 0.00 36.82 34.37 2xf2 h ILE 480 CO -0.00 0.32 0.14 0.40 -0.69 0.00 0.00 178.15 178.32 2xf2 h ILE 481 N 1.02 0.91 -0.50 -0.67 2.04 -1.29 -0.22 117.51 118.80 2xf2 h ILE 481 Ca 0.24 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.93 2xf2 h ILE 481 Cb 0.23 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 2xf2 h ILE 481 CO -0.02 0.06 0.10 1.56 0.00 0.00 0.00 178.15 179.85 2xf2 h GLN 482 N 0.31 0.82 -0.36 2.37 1.08 -1.06 -2.90 115.11 115.37 2xf2 h GLN 482 Ca 0.17 -0.21 -0.04 0.00 -1.45 0.00 0.00 58.65 57.11 2xf2 h GLN 482 Cb 0.13 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 2xf2 h GLN 482 CO -0.16 0.81 0.05 -0.07 -0.95 0.00 0.00 178.83 178.51 2xf2 h LEU 483 N 0.71 0.50 -1.83 1.46 3.38 -0.75 -2.38 115.31 116.39 2xf2 h LEU 483 Ca 0.16 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2xf2 h LEU 483 Cb 0.37 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2xf2 h LEU 483 CO 0.01 0.53 -0.14 -1.13 0.09 0.00 0.00 178.44 177.80 2xf2 h ASN 484 N 0.52 0.00 1.35 -0.43 -1.24 -0.83 -0.83 115.58 114.11 2xf2 h ASN 484 Ca 0.12 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.13 2xf2 h ASN 484 Cb 0.26 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.31 2xf2 h ASN 484 CO 0.00 0.14 0.00 0.03 -1.29 0.00 0.00 177.43 176.31 2xf2 h ARG 485 N 0.00 0.00 0.00 6.67 3.08 -1.36 -3.13 114.38 119.64 2xf2 h ARG 485 Ca -0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 2xf2 h ARG 485 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 2xf2 h ARG 485 CO 0.02 0.00 -0.49 0.82 -1.07 0.00 0.00 179.97 179.25 2xf2 h ILE 486 N 0.00 1.14 -1.74 2.04 2.04 -1.23 -3.41 117.51 116.35 2xf2 h ILE 486 Ca 0.00 -2.03 0.07 0.00 1.00 0.00 0.00 64.86 63.90 2xf2 h ILE 486 Cb 0.67 2.33 -0.23 0.00 -0.74 0.00 0.00 36.82 38.85 2xf2 h ILE 486 CO 0.00 0.39 0.16 -0.55 0.00 0.00 0.00 178.15 178.15 2xf2 s SER 487 N -6.33 -0.77 0.33 1.72 0.15 -0.52 -4.69 113.70 103.59 2xf2 s SER 487 Ca -0.20 1.19 0.10 0.00 0.70 0.00 0.00 55.95 57.75 2xf2 s SER 487 Cb 0.01 1.43 0.57 0.00 -1.71 0.00 0.00 66.02 66.32 2xf2 s SER 487 CO 0.54 -0.18 1.75 -0.78 1.20 0.00 0.00 173.24 175.76 2xf2 h ASP 488 N 6.77 0.08 0.05 5.45 3.58 -1.82 -2.08 116.42 128.45 2xf2 h ASP 488 Ca -0.27 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.14 2xf2 h ASP 488 Cb 1.19 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.22 2xf2 h ASP 488 CO 0.16 0.50 -0.02 -1.13 -2.88 0.00 0.00 179.24 175.87 2xf2 h ASN 489 N 0.07 -0.06 -0.09 2.28 -0.00 -1.94 -0.57 115.58 115.27 2xf2 h ASN 489 Ca 0.00 -0.25 0.04 0.00 -0.00 0.00 0.00 56.30 56.09 2xf2 h ASN 489 Cb 0.79 0.01 -0.05 0.00 -0.00 0.00 0.00 38.32 39.07 2xf2 h ASN 489 CO 0.06 0.22 -0.22 0.25 -0.00 0.00 0.00 177.43 177.75 2xf2 h LEU 490 N -0.34 -0.66 -0.62 0.34 5.85 -1.87 -1.53 115.31 116.49 2xf2 h LEU 490 Ca -0.01 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2xf2 h LEU 490 Cb 0.30 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 2xf2 h LEU 490 CO 0.01 -0.27 0.39 0.00 -0.34 0.00 0.00 178.44 178.23 2xf2 h ALA 491 N 0.65 0.78 -0.55 1.25 0.00 -1.34 -1.89 119.26 118.16 2xf2 h ALA 491 Ca 0.09 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2xf2 h ALA 491 Cb 0.42 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2xf2 h ALA 491 CO -0.26 0.24 0.12 1.15 0.00 0.00 0.00 179.25 180.50 2xf2 h THR 492 N 0.84 1.25 -0.24 0.00 2.02 -0.92 0.25 112.91 116.10 2xf2 h THR 492 Ca 0.22 -0.92 -0.11 0.00 0.77 0.00 0.00 66.41 66.38 2xf2 h THR 492 Cb -0.05 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 2xf2 h THR 492 CO -0.04 0.33 -0.31 0.03 0.37 0.00 0.00 175.52 175.90 2xf2 h ARG 493 N 0.79 0.50 -0.03 6.66 3.08 -1.06 -2.55 114.38 121.77 2xf2 h ARG 493 Ca 0.17 -0.21 -0.12 0.00 0.07 0.00 0.00 59.98 59.89 2xf2 h ARG 493 Cb 0.37 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.41 2xf2 h ARG 493 CO 0.01 0.76 -0.45 0.28 -1.07 0.00 0.00 179.97 179.49 2xf2 h VAL 494 N 0.43 1.44 -0.73 2.04 2.07 -1.20 -3.32 116.25 116.99 2xf2 h VAL 494 Ca 0.05 -1.94 0.11 0.00 0.82 0.00 0.00 66.70 65.75 2xf2 h VAL 494 Cb 0.76 2.52 -0.05 0.00 -1.52 0.00 0.00 31.29 33.00 2xf2 h VAL 494 CO 0.06 0.56 0.48 0.00 0.02 0.00 0.00 177.57 178.69 2xf2 h ALA 495 N 0.35 1.92 0.00 1.67 0.00 -0.80 -2.36 119.26 120.04 2xf2 h ALA 495 Ca -0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2xf2 h ALA 495 Cb 1.15 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2xf2 h ALA 495 CO 0.09 -0.09 -0.18 0.66 0.00 0.00 0.00 179.25 179.73 2xf2 h SER 496 N 0.56 0.00 1.51 0.00 4.64 -1.56 -2.23 113.55 116.47 2xf2 h SER 496 Ca 0.34 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.61 2xf2 h SER 496 Cb 0.58 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 2xf2 h SER 496 CO -0.12 0.18 -0.50 0.00 -0.87 0.00 0.00 176.83 175.52 2xf2 h ALA 497 N 1.82 0.77 -0.17 5.18 0.00 -1.60 -3.39 119.26 121.87 2xf2 h ALA 497 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2xf2 h ALA 497 Cb 0.46 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2xf2 h ALA 497 CO 0.02 0.31 0.00 0.44 0.00 0.00 0.00 179.25 180.02 2xf2 n ILE 498 N -3.04 1.32 -2.05 0.00 -5.35 -0.85 -4.98 119.36 104.40 2xf2 n ILE 498 Ca 0.01 -1.31 -0.05 0.00 -0.27 0.00 0.00 62.75 61.13 2xf2 n ILE 498 Cb 0.64 0.28 -0.00 0.00 -1.74 0.00 0.00 39.64 38.82 2xf2 n ILE 498 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2xf2 n GLY 499 N -0.25 0.19 3.47 3.28 0.00 -1.14 -5.01 105.19 105.73 2xf2 n GLY 499 Ca 0.10 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 2xf2 n GLY 499 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2xf2 s VAL 500 N -2.26 3.32 0.35 1.61 1.01 -1.12 -5.10 120.40 118.20 2xf2 s VAL 500 Ca 0.00 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 61.09 2xf2 s VAL 500 Cb 0.00 -2.36 -0.11 0.00 0.00 0.00 0.00 36.38 33.91 2xf2 s VAL 500 CO 0.00 0.56 1.53 1.21 0.00 0.00 0.00 175.10 178.40 2xf2 n GLU 501 N 2.80 2.68 -1.84 2.72 2.13 -1.26 -4.42 120.64 123.45 2xf2 n GLU 501 Ca -0.18 0.95 -0.42 0.00 0.66 0.00 0.00 57.16 58.17 2xf2 n GLU 501 Cb 0.53 -2.69 -0.03 0.00 0.27 0.00 0.00 31.44 29.51 2xf2 n GLU 501 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2xf2 s ALA 502 N -0.71 3.78 0.57 4.31 0.00 -1.26 -4.99 121.76 123.46 2xf2 s ALA 502 Ca 0.57 1.39 -0.14 0.00 0.00 0.00 0.00 51.96 53.78 2xf2 s ALA 502 Cb -0.48 -3.69 -0.06 0.00 0.00 0.00 0.00 23.12 18.89 2xf2 s ALA 502 CO 0.58 -1.00 1.01 -1.25 0.00 0.00 0.00 175.76 175.10 2xf2 s PRO 503 N 1.94 3.72 0.35 0.00 0.04 -1.26 -5.06 135.00 134.74 2xf2 s PRO 503 Ca 0.75 0.90 -0.18 0.00 0.04 0.00 0.00 61.00 62.51 2xf2 s PRO 503 Cb -0.44 -2.10 -0.10 0.00 0.04 0.00 0.00 34.50 31.90 2xf2 s PRO 503 CO 0.33 -0.46 0.83 0.15 0.04 0.00 0.00 177.00 177.88 2xf2 s LYS 504 N -4.51 4.15 0.30 4.56 1.02 -1.26 -4.94 119.74 119.08 2xf2 s LYS 504 Ca 0.58 0.90 -0.29 0.00 0.02 0.00 0.00 55.97 57.18 2xf2 s LYS 504 Cb -0.11 -2.41 -0.13 0.00 -0.52 0.00 0.00 37.83 34.66 2xf2 s LYS 504 CO 0.41 0.12 1.26 -2.30 -0.92 0.00 0.00 175.35 173.92 2xf2 n PRO 505 N -0.29 1.94 -3.95 -1.68 -0.02 -1.26 -4.99 135.00 124.76 2xf2 n PRO 505 Ca 0.04 0.68 -0.31 0.00 -2.02 0.00 0.00 63.50 61.90 2xf2 n PRO 505 Cb 0.53 -2.24 -0.15 0.00 -0.02 0.00 0.00 33.50 31.62 2xf2 n PRO 505 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2xf2 s ASN 506 N -0.21 4.58 0.00 2.55 3.84 -1.26 -5.03 114.94 119.42 2xf2 s ASN 506 Ca 0.59 -2.01 0.15 0.00 0.21 0.00 0.00 52.86 51.80 2xf2 s ASN 506 Cb -0.62 -1.45 0.44 0.00 -0.55 0.00 0.00 41.25 39.08 2xf2 s ASN 506 CO 0.59 -0.38 1.35 -1.54 -2.79 0.00 0.00 177.10 174.33 2xf2 n SER 507 N 4.39 2.09 -0.31 -4.21 3.41 -1.26 -4.47 113.62 113.26 2xf2 n SER 507 Ca 0.02 -1.94 0.13 0.00 -0.26 0.00 0.00 58.87 56.83 2xf2 n SER 507 Cb 0.42 -0.23 0.31 0.00 -0.26 0.00 0.00 64.21 64.45 2xf2 n SER 507 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2xf2 h SER 508 N 2.39 0.41 -0.22 4.04 0.02 -1.96 -2.41 113.55 115.83 2xf2 h SER 508 Ca 0.00 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2xf2 h SER 508 Cb 0.54 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.18 2xf2 h SER 508 CO 0.00 0.04 0.00 0.49 -1.14 0.00 0.00 176.83 176.22 2xf2 n PHE 509 N -5.00 0.29 -2.18 3.45 3.72 -1.26 -5.02 117.46 111.47 2xf2 n PHE 509 Ca 0.22 -0.42 -0.40 0.00 -0.05 0.00 0.00 57.45 56.80 2xf2 n PHE 509 Cb 0.65 -0.03 -0.02 0.00 -0.94 0.00 0.00 39.48 39.14 2xf2 n PHE 509 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2xf2 s TYR 510 N -0.95 3.09 0.22 1.38 2.02 -0.91 -4.55 117.35 117.65 2xf2 s TYR 510 Ca 0.16 1.47 -0.23 0.00 -0.37 0.00 0.00 57.07 58.11 2xf2 s TYR 510 Cb 0.09 -3.59 0.04 0.00 -0.40 0.00 0.00 41.96 38.10 2xf2 s TYR 510 CO 0.12 -1.65 0.83 -3.38 -1.57 0.00 0.00 175.55 169.90 2xf2 s HIS 511 N -1.20 -0.16 -0.68 2.71 -3.43 -1.26 -5.07 115.29 106.21 2xf2 s HIS 511 Ca 0.51 -0.23 0.09 0.00 -0.80 0.00 0.00 55.06 54.62 2xf2 s HIS 511 Cb -0.37 0.68 0.25 0.00 -1.43 0.00 0.00 32.58 31.71 2xf2 s HIS 511 CO 0.49 -1.06 1.21 -0.25 -2.00 0.00 0.00 174.74 173.13 2xf2 n ASP 512 N -0.47 2.77 -4.77 7.38 8.00 -1.26 -4.91 116.55 123.29 2xf2 n ASP 512 Ca -0.05 -2.07 -0.35 0.00 0.71 0.00 0.00 54.79 53.03 2xf2 n ASP 512 Cb 0.60 -0.20 0.01 0.00 -0.02 0.00 0.00 41.12 41.50 2xf2 n ASP 512 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2xf2 s ASN 513 N -1.07 5.65 0.19 -2.24 0.01 -1.26 -5.05 114.94 111.16 2xf2 s ASN 513 Ca 0.19 2.23 0.02 0.00 -0.71 0.00 0.00 52.86 54.59 2xf2 s ASN 513 Cb 0.11 -2.59 -0.05 0.00 0.41 0.00 0.00 41.25 39.14 2xf2 s ASN 513 CO 0.12 -1.27 -0.00 0.42 -1.51 0.00 0.00 177.10 174.86 2xf2 s THR 514 N -1.72 0.78 0.02 1.60 -4.23 -1.26 -4.59 115.64 106.24 2xf2 s THR 514 Ca 0.73 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.26 2xf2 s THR 514 Cb -0.25 -2.17 -0.02 0.00 1.34 0.00 0.00 72.50 71.40 2xf2 s THR 514 CO 0.28 -0.44 -0.07 0.28 -0.54 0.00 0.00 174.62 174.13 2xf2 s THR 515 N -3.59 0.52 0.32 3.99 -1.32 -1.26 -5.05 115.64 109.25 2xf2 s THR 515 Ca 0.25 -0.74 -0.26 0.00 -1.21 0.00 0.00 61.69 59.73 2xf2 s THR 515 Cb 0.06 -0.53 -0.10 0.00 -1.51 0.00 0.00 72.50 70.42 2xf2 s THR 515 CO 0.05 -0.17 0.93 0.00 -2.21 0.00 0.00 174.62 173.23 2xf2 s ALA 516 N -0.86 3.21 -1.55 11.08 0.00 -1.26 -4.24 121.76 128.14 2xf2 s ALA 516 Ca -0.05 0.50 -0.14 0.00 0.00 0.00 0.00 51.96 52.27 2xf2 s ALA 516 Cb -0.07 -3.17 0.09 0.00 0.00 0.00 0.00 23.12 19.98 2xf2 s ALA 516 CO 0.00 0.18 0.97 0.72 0.00 0.00 0.00 175.76 177.63 2xf2 n HIS 517 N 0.54 -2.26 0.11 0.00 8.25 -1.26 -4.87 115.22 115.73 2xf2 n HIS 517 Ca 0.02 0.90 0.10 0.00 -0.26 0.00 0.00 57.72 58.47 2xf2 n HIS 517 Cb 0.50 -3.89 0.00 0.00 1.12 0.00 0.00 29.99 27.72 2xf2 n HIS 517 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 2xf2 h ILE 518 N -2.04 0.09 -4.46 1.59 6.09 -1.83 -3.47 117.51 113.48 2xf2 h ILE 518 Ca -0.58 -1.16 -0.47 0.00 -1.37 0.00 0.00 64.86 61.28 2xf2 h ILE 518 Cb 1.38 1.64 0.11 0.00 0.47 0.00 0.00 36.82 40.42 2xf2 h ILE 518 CO 0.68 0.05 0.37 -0.83 -3.07 0.00 0.00 178.15 175.35 2xf2 s GLY 519 N -4.41 1.59 0.35 8.18 0.00 -1.26 -4.99 107.32 106.78 2xf2 s GLY 519 Ca -0.00 -0.63 0.22 0.00 0.00 0.00 0.00 44.72 44.31 2xf2 s GLY 519 CO 0.78 -0.10 1.41 0.00 0.00 0.00 0.00 173.10 175.19 2xf2 h ALA 520 N -1.24 0.82 -3.24 3.20 0.00 -1.92 -3.47 119.26 113.40 2xf2 h ALA 520 Ca -0.47 -0.07 -0.64 0.00 0.00 0.00 0.00 54.91 53.73 2xf2 h ALA 520 Cb 1.33 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.99 2xf2 h ALA 520 CO 0.63 0.08 -0.69 -0.06 0.00 0.00 0.00 179.25 179.22 2xf2 s PHE 521 N -3.22 2.83 0.00 0.00 0.08 -1.26 -4.47 117.98 111.94 2xf2 s PHE 521 Ca 0.04 -0.12 0.00 0.00 0.12 0.00 0.00 56.93 56.97 2xf2 s PHE 521 Cb 0.07 -1.43 0.00 0.00 -0.57 0.00 0.00 43.02 41.08 2xf2 s PHE 521 CO 0.71 0.48 0.00 0.41 -0.10 0.00 0.00 175.22 176.72 2xf2 n GLY 522 N 0.35 1.22 3.33 4.36 0.00 -1.26 -4.72 105.19 108.47 2xf2 n GLY 522 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 2xf2 n GLY 522 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2xf2 s GLU 523 N -0.14 1.67 0.62 1.61 2.02 -1.26 -5.13 118.70 118.09 2xf2 s GLU 523 Ca 0.00 -1.11 -0.16 0.00 0.02 0.00 0.00 54.97 53.72 2xf2 s GLU 523 Cb 0.00 -1.88 -0.02 0.00 0.10 0.00 0.00 34.13 32.33 2xf2 s GLU 523 CO 0.00 0.48 1.10 0.15 0.02 0.00 0.00 175.26 177.01 2xf2 s LYS 524 N -1.33 3.02 0.42 1.61 1.02 -1.26 -4.90 119.74 118.31 2xf2 s LYS 524 Ca 0.11 1.38 -0.25 0.00 0.02 0.00 0.00 55.97 57.23 2xf2 s LYS 524 Cb -0.10 -1.98 -0.08 0.00 -0.52 0.00 0.00 37.83 35.15 2xf2 s LYS 524 CO 0.02 -1.08 1.20 -0.51 -0.92 0.00 0.00 175.35 174.07 2xf2 s LEU 525 N -4.60 4.15 0.03 3.17 1.43 -0.08 -4.84 118.68 117.93 2xf2 s LEU 525 Ca 0.67 2.42 -0.13 0.00 -1.03 0.00 0.00 54.13 56.05 2xf2 s LEU 525 Cb -0.20 -4.04 -0.34 0.00 0.03 0.00 0.00 46.19 41.64 2xf2 s LEU 525 CO 0.38 -0.78 0.97 0.00 0.23 0.00 0.00 176.35 177.15 2xf2 h ALA 526 N 2.50 -0.08 -3.52 4.21 0.00 -1.53 -3.47 119.26 117.38 2xf2 h ALA 526 Ca -0.49 -0.90 -0.40 0.00 0.00 0.00 0.00 54.91 53.11 2xf2 h ALA 526 Cb 1.24 0.19 -0.23 0.00 0.00 0.00 0.00 17.79 19.00 2xf2 h ALA 526 CO 0.62 0.78 -0.78 0.15 0.00 0.00 0.00 179.25 180.02 2xf2 s LYS 527 N -2.61 0.81 0.00 0.00 1.02 -0.89 -5.03 119.74 113.05 2xf2 s LYS 527 Ca -0.09 -0.84 0.18 0.00 0.02 0.00 0.00 55.97 55.24 2xf2 s LYS 527 Cb 0.05 -0.79 0.35 0.00 -0.52 0.00 0.00 37.83 36.91 2xf2 s LYS 527 CO 0.93 0.18 1.27 1.28 -0.92 0.00 0.00 175.35 178.09 2xf2 n LEU 528 N 1.56 3.09 -4.60 3.17 4.77 -1.26 -4.86 117.00 118.87 2xf2 n LEU 528 Ca -0.20 -1.56 -0.54 0.00 -0.03 0.00 0.00 56.01 53.68 2xf2 n LEU 528 Cb 0.54 -0.21 -0.07 0.00 -2.33 0.00 0.00 43.42 41.36 2xf2 n LEU 528 CO 0.22 0.69 0.93 0.47 -1.33 0.00 0.00 177.39 178.36 2xf2 n ASP 529 N 1.11 1.52 0.00 -1.43 9.92 -1.18 -1.91 116.55 124.58 2xf2 n ASP 529 Ca 0.15 1.12 0.00 0.00 -0.53 0.00 0.00 54.79 55.53 2xf2 n ASP 529 Cb 0.50 -1.14 0.00 0.00 -0.64 0.00 0.00 41.12 39.85 2xf2 n ASP 529 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2xf2 n GLY 530 N 2.67 1.19 3.80 0.44 0.00 0.89 -4.97 105.19 109.20 2xf2 n GLY 530 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 2xf2 n GLY 530 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2xf2 s LEU 531 N 0.00 3.50 -0.04 0.99 1.43 -0.80 -4.87 118.68 118.90 2xf2 s LEU 531 Ca 0.00 1.82 0.04 0.00 -1.03 0.00 0.00 54.13 54.97 2xf2 s LEU 531 Cb 0.00 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.68 2xf2 s LEU 531 CO 0.00 -1.17 -0.17 -0.54 0.23 0.00 0.00 176.35 174.70 2xf2 s LYS 532 N -4.06 1.66 -0.22 1.70 1.02 -1.26 -1.68 119.74 116.90 2xf2 s LYS 532 Ca 0.64 -0.60 -0.05 0.00 0.02 0.00 0.00 55.97 55.98 2xf2 s LYS 532 Cb -0.16 -1.48 -0.02 0.00 -0.52 0.00 0.00 37.83 35.65 2xf2 s LYS 532 CO 0.37 0.27 0.00 0.08 -0.92 0.00 0.00 175.35 175.15 2xf2 s VAL 533 N -0.07 3.82 -0.31 3.17 1.01 0.64 -0.27 120.40 128.40 2xf2 s VAL 533 Ca -0.01 -0.34 -0.19 0.00 0.00 0.00 0.00 61.98 61.43 2xf2 s VAL 533 Cb -0.10 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 2xf2 s VAL 533 CO 0.01 0.40 0.59 -0.83 0.00 0.00 0.00 175.10 175.28 2xf2 s GLY 534 N 1.36 1.79 -0.37 4.51 0.00 -0.01 0.08 107.32 114.68 2xf2 s GLY 534 Ca 0.04 -0.71 -0.15 0.00 0.00 0.00 0.00 44.72 43.91 2xf2 s GLY 534 CO 0.00 1.39 0.34 -2.27 0.00 0.00 0.00 173.10 172.57 2xf2 s LEU 535 N 2.53 4.64 -0.38 0.66 2.96 0.51 -0.58 118.68 129.01 2xf2 s LEU 535 Ca 0.23 -0.46 -0.23 0.00 -0.22 0.00 0.00 54.13 53.46 2xf2 s LEU 535 Cb -0.15 -2.27 0.01 0.00 0.50 0.00 0.00 46.19 44.28 2xf2 s LEU 535 CO 0.12 -0.38 0.76 -0.76 -1.32 0.00 0.00 176.35 174.77 2xf2 s LEU 536 N 1.92 4.18 0.00 -0.68 1.43 0.11 -0.79 118.68 124.85 2xf2 s LEU 536 Ca 0.09 0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.40 2xf2 s LEU 536 Cb -0.17 -2.97 -0.00 0.00 0.03 0.00 0.00 46.19 43.08 2xf2 s LEU 536 CO 0.11 -0.75 0.02 0.00 0.23 0.00 0.00 176.35 175.96 2xf2 n ALA 537 N 6.43 0.26 -3.56 4.21 0.00 0.31 -1.02 120.51 127.14 2xf2 n ALA 537 Ca 0.02 -1.25 -0.13 0.00 0.00 0.00 0.00 53.44 52.08 2xf2 n ALA 537 Cb 0.48 0.72 -0.14 0.00 0.00 0.00 0.00 19.45 20.51 2xf2 n ALA 537 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2xf2 s SER 538 N -2.52 -0.09 0.55 0.00 0.15 -1.26 -4.51 113.70 106.02 2xf2 s SER 538 Ca 0.03 0.25 0.31 0.00 0.70 0.00 0.00 55.95 57.24 2xf2 s SER 538 Cb 0.00 0.17 1.61 0.00 -1.71 0.00 0.00 66.02 66.09 2xf2 s SER 538 CO 0.02 -0.12 2.12 -0.37 1.20 0.00 0.00 173.24 176.09 2xf2 h VAL 539 N 5.82 0.42 0.00 4.45 -1.51 -1.93 -2.30 116.25 121.20 2xf2 h VAL 539 Ca -0.39 -0.41 0.00 0.00 -1.23 0.00 0.00 66.70 64.67 2xf2 h VAL 539 Cb 1.15 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 31.60 2xf2 h VAL 539 CO 0.43 0.08 0.00 0.78 -1.23 0.00 0.00 177.57 177.63 2xf2 h ASN 540 N 0.00 0.00 -2.88 4.19 2.35 -1.96 -3.35 115.58 113.94 2xf2 h ASN 540 Ca -0.00 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.14 2xf2 h ASN 540 Cb 0.28 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.25 2xf2 h ASN 540 CO 0.01 0.00 -0.76 -0.54 -1.65 0.00 0.00 177.43 174.49 2xf2 s LYS 541 N -3.30 1.66 0.52 0.81 -0.14 -0.87 -5.00 119.74 113.43 2xf2 s LYS 541 Ca 0.06 -2.64 0.35 0.00 -1.36 0.00 0.00 55.97 52.37 2xf2 s LYS 541 Cb 0.10 -2.46 1.50 0.00 -1.68 0.00 0.00 37.83 35.29 2xf2 s LYS 541 CO 0.49 -1.31 1.79 -1.35 -0.76 0.00 0.00 175.35 174.20 2xf2 h PRO 542 N 5.71 0.05 0.00 -1.68 0.11 -1.70 0.22 132.00 134.70 2xf2 h PRO 542 Ca 0.17 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.23 2xf2 h PRO 542 Cb 0.84 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 2xf2 h PRO 542 CO 0.54 0.03 -0.20 0.00 -0.21 0.00 0.00 178.00 178.17 2xf2 h ALA 543 N 1.42 1.39 -0.29 -0.75 0.00 -1.91 -2.30 119.26 116.83 2xf2 h ALA 543 Ca 0.59 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 2xf2 h ALA 543 Cb 2.25 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 20.00 2xf2 h ALA 543 CO -0.06 0.25 0.07 0.66 0.00 0.00 0.00 179.25 180.18 2xf2 h SER 544 N 0.00 0.43 -0.74 0.00 4.64 -0.67 -2.90 113.55 114.31 2xf2 h SER 544 Ca -0.00 -0.23 -0.04 0.00 -0.47 0.00 0.00 61.79 61.05 2xf2 h SER 544 Cb 0.43 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.38 2xf2 h SER 544 CO 0.03 0.54 0.31 0.40 -0.87 0.00 0.00 176.83 177.24 2xf2 h ILE 545 N 0.30 1.25 0.00 0.95 2.04 -1.54 -2.70 117.51 117.81 2xf2 h ILE 545 Ca 0.09 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 2xf2 h ILE 545 Cb 0.28 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2xf2 h ILE 545 CO 0.00 0.32 -0.08 0.00 0.00 0.00 0.00 178.15 178.39 2xf2 h ALA 546 N 1.25 1.17 0.00 1.87 0.00 -1.31 -1.94 119.26 120.30 2xf2 h ALA 546 Ca 0.25 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2xf2 h ALA 546 Cb 0.19 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2xf2 h ALA 546 CO -0.02 0.10 -0.06 1.96 0.00 0.00 0.00 179.25 181.22 2xf2 h GLN 547 N 0.00 0.00 -0.05 0.00 4.20 -1.28 -2.96 115.11 115.01 2xf2 h GLN 547 Ca -0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 2xf2 h GLN 547 Cb 0.33 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 2xf2 h GLN 547 CO 0.01 0.06 -0.03 0.78 -0.67 0.00 0.00 178.83 178.98 2xf2 h GLY 548 N 0.89 0.02 1.40 3.46 0.00 -1.49 -0.36 103.07 106.99 2xf2 h GLY 548 Ca -0.00 0.04 -0.07 0.00 0.00 0.00 0.00 47.33 47.30 2xf2 h GLY 548 CO 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 176.54 176.50 2xf2 h ALA 549 N 1.02 1.15 -0.21 3.60 0.00 -1.70 0.11 119.26 123.24 2xf2 h ALA 549 Ca 0.03 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 2xf2 h ALA 549 Cb 0.08 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2xf2 h ALA 549 CO -0.07 0.55 -0.13 -0.22 0.00 0.00 0.00 179.25 179.38 2xf2 h LYS 550 N 0.69 0.45 -0.59 0.00 3.64 -1.51 -1.74 116.57 117.51 2xf2 h LYS 550 Ca 0.14 -0.21 -0.08 0.00 -1.27 0.00 0.00 60.65 59.22 2xf2 h LYS 550 Cb 0.44 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 2xf2 h LYS 550 CO 0.02 0.76 0.03 1.25 -2.27 0.00 0.00 179.45 179.24 2xf2 h LEU 551 N 0.14 0.97 -0.60 5.20 5.85 -0.87 -3.13 115.31 122.87 2xf2 h LEU 551 Ca 0.04 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 2xf2 h LEU 551 Cb 0.64 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2xf2 h LEU 551 CO 0.04 1.01 0.37 -0.61 -0.34 0.00 0.00 178.44 178.91 2xf2 h GLN 552 N 0.93 0.81 -0.21 1.25 5.75 -0.64 -2.29 115.11 120.71 2xf2 h GLN 552 Ca 0.17 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.59 2xf2 h GLN 552 Cb 0.49 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 2xf2 h GLN 552 CO 0.02 0.57 0.04 -0.39 -2.65 0.00 0.00 178.83 176.42 2xf2 h VAL 553 N 0.81 1.11 0.00 2.39 -1.51 -1.27 0.14 116.25 117.92 2xf2 h VAL 553 Ca 0.22 -0.39 -0.04 0.00 -1.23 0.00 0.00 66.70 65.26 2xf2 h VAL 553 Cb -0.04 0.91 -0.01 0.00 -2.13 0.00 0.00 31.29 30.02 2xf2 h VAL 553 CO -0.04 0.14 -0.18 0.00 -1.23 0.00 0.00 177.57 176.26 2xf2 h ALA 554 N 1.76 0.90 -0.00 5.19 0.00 -1.43 -3.33 119.26 122.34 2xf2 h ALA 554 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2xf2 h ALA 554 Cb 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2xf2 h ALA 554 CO -0.00 0.22 -0.57 1.28 0.00 0.00 0.00 179.25 180.18 2xf2 n LEU 555 N -3.16 0.89 -0.33 0.00 4.77 -0.75 -4.63 117.00 113.79 2xf2 n LEU 555 Ca 0.03 -0.57 0.08 0.00 -0.03 0.00 0.00 56.01 55.51 2xf2 n LEU 555 Cb 0.57 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.90 2xf2 n LEU 555 CO 0.36 0.20 1.18 0.28 -1.33 0.00 0.00 177.39 178.07 2xf2 h SER 556 N 0.43 0.76 0.92 -1.43 0.02 -1.11 -2.54 113.55 110.60 2xf2 h SER 556 Ca 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2xf2 h SER 556 Cb 0.38 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2xf2 h SER 556 CO 0.00 0.37 0.00 0.77 -1.14 0.00 0.00 176.83 176.83 2xf2 h SER 557 N 0.83 0.00 -0.58 3.07 4.64 -1.82 -2.16 113.55 117.53 2xf2 h SER 557 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 2xf2 h SER 557 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2xf2 h SER 557 CO -0.31 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 176.98 2xf2 n VAL 558 N -2.94 0.94 -1.40 0.95 0.24 -0.97 -4.97 118.33 110.18 2xf2 n VAL 558 Ca 0.01 -0.97 -0.04 0.00 -2.04 0.00 0.00 64.34 61.30 2xf2 n VAL 558 Cb 0.28 0.56 -0.01 0.00 -1.47 0.00 0.00 33.84 33.19 2xf2 n VAL 558 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2xf2 n GLY 559 N 1.28 0.53 3.80 7.63 0.00 -0.81 -3.12 105.19 114.50 2xf2 n GLY 559 Ca 0.20 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 2xf2 n GLY 559 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2xf2 s VAL 560 N -2.15 5.31 -0.13 1.61 1.01 -1.18 -0.08 120.40 124.80 2xf2 s VAL 560 Ca 0.00 0.48 -0.08 0.00 0.00 0.00 0.00 61.98 62.38 2xf2 s VAL 560 Cb 0.00 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 2xf2 s VAL 560 CO 0.00 0.51 0.15 -1.81 0.00 0.00 0.00 175.10 173.94 2xf2 s ASP 561 N -0.33 6.38 -0.20 3.32 1.01 -0.68 -4.35 116.67 121.82 2xf2 s ASP 561 Ca 0.17 0.46 -0.08 0.00 0.71 0.00 0.00 52.55 53.81 2xf2 s ASP 561 Cb -0.13 -2.08 -0.04 0.00 1.01 0.00 0.00 42.92 41.67 2xf2 s ASP 561 CO 0.05 0.38 0.09 -0.69 0.21 0.00 0.00 175.17 175.21 2xf2 s VAL 562 N -0.87 4.94 -0.22 -1.27 1.01 -1.26 -0.26 120.40 122.47 2xf2 s VAL 562 Ca 0.15 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 2xf2 s VAL 562 Cb -0.12 -3.24 0.01 0.00 0.00 0.00 0.00 36.38 33.02 2xf2 s VAL 562 CO 0.04 0.44 -0.07 -0.69 0.00 0.00 0.00 175.10 174.81 2xf2 s VAL 563 N 0.53 3.01 -0.27 2.92 1.01 0.11 -4.95 120.40 122.76 2xf2 s VAL 563 Ca 0.05 -0.74 -0.22 0.00 0.00 0.00 0.00 61.98 61.06 2xf2 s VAL 563 Cb -0.12 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 2xf2 s VAL 563 CO 0.01 0.36 0.73 -0.69 0.00 0.00 0.00 175.10 175.51 2xf2 s VAL 564 N 1.40 4.88 -0.15 2.92 1.01 -1.26 -0.36 120.40 128.84 2xf2 s VAL 564 Ca 0.04 1.22 -0.04 0.00 0.00 0.00 0.00 61.98 63.19 2xf2 s VAL 564 Cb -0.15 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 2xf2 s VAL 564 CO -0.05 -0.10 0.00 -0.69 0.00 0.00 0.00 175.10 174.26 2xf2 s VAL 565 N 2.74 4.26 0.36 2.92 1.01 0.03 -0.42 120.40 131.30 2xf2 s VAL 565 Ca 0.30 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 62.04 2xf2 s VAL 565 Cb -0.15 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.37 2xf2 s VAL 565 CO 0.10 0.51 0.48 0.00 0.00 0.00 0.00 175.10 176.18 2xf2 n ALA 566 N 3.24 -0.23 0.08 5.51 0.00 -0.72 -0.53 120.51 127.86 2xf2 n ALA 566 Ca -0.17 -1.70 -0.01 0.00 0.00 0.00 0.00 53.44 51.56 2xf2 n ALA 566 Cb 0.53 1.37 0.28 0.00 0.00 0.00 0.00 19.45 21.62 2xf2 n ALA 566 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2xf2 h GLU 567 N 0.00 0.30 -3.75 0.00 3.07 -1.87 -0.85 114.58 111.48 2xf2 h GLU 567 Ca -0.27 -0.11 -0.08 0.00 -0.50 0.00 0.00 59.36 58.40 2xf2 h GLU 567 Cb 1.22 -0.02 -0.13 0.00 -0.84 0.00 0.00 28.75 28.98 2xf2 h GLU 567 CO 0.38 0.55 -0.29 -0.98 -1.40 0.00 0.00 179.01 177.26 2xf2 s ARG 568 N -4.44 1.00 -0.21 2.33 1.70 -1.26 -4.56 118.95 113.50 2xf2 s ARG 568 Ca -0.05 -0.98 -0.29 0.00 -0.47 0.00 0.00 55.73 53.93 2xf2 s ARG 568 Cb 0.14 0.38 -0.02 0.00 -0.57 0.00 0.00 34.95 34.88 2xf2 s ARG 568 CO 0.76 -0.35 1.51 -1.64 -1.08 0.00 0.00 175.30 174.50 2xf2 s MET 569 N -3.89 3.92 0.37 3.89 -1.94 -1.26 -4.91 119.30 115.49 2xf2 s MET 569 Ca 0.09 1.64 0.05 0.00 -1.71 0.00 0.00 55.69 55.76 2xf2 s MET 569 Cb 0.04 -3.96 -0.03 0.00 2.01 0.00 0.00 34.83 32.89 2xf2 s MET 569 CO -0.07 -1.13 0.19 0.00 -0.01 0.00 0.00 175.02 174.00 2xf2 s ALA 570 N 4.67 2.40 0.19 3.03 0.00 -1.26 -5.04 121.76 125.75 2xf2 s ALA 570 Ca 0.66 -1.60 -0.33 0.00 0.00 0.00 0.00 51.96 50.69 2xf2 s ALA 570 Cb -0.24 1.09 -0.14 0.00 0.00 0.00 0.00 23.12 23.83 2xf2 s ALA 570 CO 0.26 -0.49 1.40 0.09 0.00 0.00 0.00 175.76 177.03 2xf2 n ASN 571 N -1.37 2.49 0.00 0.00 4.13 -1.26 -1.92 115.26 117.33 2xf2 n ASN 571 Ca 0.00 1.12 0.00 0.00 1.68 0.00 0.00 54.58 57.38 2xf2 n ASN 571 Cb 0.64 -1.37 0.00 0.00 -1.54 0.00 0.00 39.78 37.51 2xf2 n ASN 571 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2xf2 n ASN 572 N 2.50 -3.72 -4.73 6.41 3.02 -1.26 -5.00 115.26 112.48 2xf2 n ASN 572 Ca 0.14 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.32 2xf2 n ASN 572 Cb 0.28 -1.97 -0.06 0.00 -0.61 0.00 0.00 39.78 37.42 2xf2 n ASN 572 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2xf2 s VAL 573 N -1.64 5.18 -0.15 2.41 1.01 -0.81 -4.72 120.40 121.69 2xf2 s VAL 573 Ca 0.00 0.92 -0.06 0.00 0.00 0.00 0.00 61.98 62.84 2xf2 s VAL 573 Cb 0.00 -3.80 -0.24 0.00 0.00 0.00 0.00 36.38 32.34 2xf2 s VAL 573 CO 0.00 0.35 0.26 0.47 0.00 0.00 0.00 175.10 176.18 2xf2 n ASP 574 N 3.52 2.10 -3.88 3.32 10.43 0.44 -4.68 116.55 127.80 2xf2 n ASP 574 Ca -0.08 0.16 -0.09 0.00 2.57 0.00 0.00 54.79 57.35 2xf2 n ASP 574 Cb 0.52 -0.80 -0.06 0.00 1.84 0.00 0.00 41.12 42.62 2xf2 n ASP 574 CO 0.00 0.00 0.00 -1.83 -1.07 0.00 0.00 177.20 174.30 2xf2 s GLU 575 N -2.55 1.27 0.33 -1.24 -1.05 -0.92 -5.00 118.70 109.55 2xf2 s GLU 575 Ca -0.25 -1.06 0.00 0.00 -0.15 0.00 0.00 54.97 53.51 2xf2 s GLU 575 Cb 0.07 0.44 -0.03 0.00 -0.44 0.00 0.00 34.13 34.16 2xf2 s GLU 575 CO 0.74 -0.50 0.53 0.95 0.95 0.00 0.00 175.26 177.93 2xf2 s THR 576 N -3.94 5.11 0.40 1.83 -4.23 -1.26 -1.76 115.64 111.80 2xf2 s THR 576 Ca 0.14 -0.46 0.08 0.00 -1.18 0.00 0.00 61.69 60.28 2xf2 s THR 576 Cb 0.01 -3.85 0.29 0.00 1.34 0.00 0.00 72.50 70.30 2xf2 s THR 576 CO -0.00 -0.52 2.00 1.88 -0.54 0.00 0.00 174.62 177.43 2xf2 h TYR 577 N 0.86 0.59 -0.87 3.99 0.05 -1.39 -2.15 116.97 118.05 2xf2 h TYR 577 Ca -0.50 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.29 2xf2 h TYR 577 Cb 1.22 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 38.72 2xf2 h TYR 577 CO 0.51 0.32 0.50 1.03 -1.05 0.00 0.00 178.16 179.47 2xf2 h SER 578 N 0.60 1.07 -0.34 3.88 0.87 -1.86 -2.39 113.55 115.38 2xf2 h SER 578 Ca 0.25 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2xf2 h SER 578 Cb 0.23 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 2xf2 h SER 578 CO -0.07 0.84 0.00 0.00 -0.53 0.00 0.00 176.83 177.07 2xf2 n ALA 579 N -2.41 2.46 -2.67 6.23 0.00 -0.84 -4.94 120.51 118.33 2xf2 n ALA 579 Ca 0.09 -0.72 -0.24 0.00 0.00 0.00 0.00 53.44 52.57 2xf2 n ALA 579 Cb 0.08 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.47 2xf2 n ALA 579 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2xf2 s SER 580 N -1.26 4.74 -0.01 0.00 0.01 -0.90 -4.90 113.70 111.38 2xf2 s SER 580 Ca 0.32 -0.50 -0.25 0.00 1.31 0.00 0.00 55.95 56.83 2xf2 s SER 580 Cb 0.17 -0.97 0.05 0.00 0.21 0.00 0.00 66.02 65.48 2xf2 s SER 580 CO 0.24 0.03 0.54 -0.62 0.41 0.00 0.00 173.24 173.85 2xf2 s ASP 581 N -3.38 -0.48 0.43 2.44 2.15 -1.26 -4.97 116.67 111.59 2xf2 s ASP 581 Ca 0.30 0.41 0.20 0.00 0.43 0.00 0.00 52.55 53.89 2xf2 s ASP 581 Cb -0.08 0.47 1.16 0.00 -0.30 0.00 0.00 42.92 44.17 2xf2 s ASP 581 CO 0.20 -0.60 1.84 0.00 -0.17 0.00 0.00 175.17 176.43 2xf2 h ALA 582 N 3.15 2.33 0.00 3.66 0.00 -1.90 -1.99 119.26 124.51 2xf2 h ALA 582 Ca -0.29 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2xf2 h ALA 582 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2xf2 h ALA 582 CO 0.40 -0.64 0.00 1.33 0.00 0.00 0.00 179.25 180.34 2xf2 n VAL 583 N -4.50 0.91 0.65 0.00 0.24 -1.26 -1.81 118.33 112.55 2xf2 n VAL 583 Ca 0.21 0.37 0.12 0.00 -2.04 0.00 0.00 64.34 63.00 2xf2 n VAL 583 Cb 0.80 -1.31 0.46 0.00 -1.47 0.00 0.00 33.84 32.32 2xf2 n VAL 583 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2xf2 n GLN 584 N -2.21 0.17 -4.60 7.34 6.02 -0.75 -4.87 117.38 118.48 2xf2 n GLN 584 Ca 0.01 0.22 -0.25 0.00 -0.01 0.00 0.00 57.00 56.97 2xf2 n GLN 584 Cb 0.17 -1.73 -0.14 0.00 1.02 0.00 0.00 30.24 29.57 2xf2 n GLN 584 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2xf2 s PHE 585 N -3.12 1.71 -0.24 1.08 0.08 -0.75 -4.85 117.98 111.89 2xf2 s PHE 585 Ca 0.10 -0.37 0.22 0.00 0.12 0.00 0.00 56.93 57.00 2xf2 s PHE 585 Cb 0.13 -1.02 0.02 0.00 -0.57 0.00 0.00 43.02 41.57 2xf2 s PHE 585 CO 0.51 0.08 1.08 -0.44 -0.10 0.00 0.00 175.22 176.34 2xf2 h ASP 586 N 4.90 0.00 -4.79 1.36 3.32 -0.92 -3.47 116.42 116.82 2xf2 h ASP 586 Ca -0.42 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.48 2xf2 h ASP 586 Cb 1.16 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.50 2xf2 h ASP 586 CO 0.44 0.02 -0.49 0.00 -1.72 0.00 0.00 179.24 177.49 2xf2 s ALA 587 N -3.34 -0.35 -0.08 3.45 0.00 -0.95 -3.87 121.76 116.61 2xf2 s ALA 587 Ca -0.00 -0.03 0.04 0.00 0.00 0.00 0.00 51.96 51.96 2xf2 s ALA 587 Cb 0.09 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.26 2xf2 s ALA 587 CO 0.78 -0.19 -0.20 0.08 0.00 0.00 0.00 175.76 176.23 2xf2 s VAL 588 N -1.16 1.76 -0.09 0.00 1.01 -0.53 -0.83 120.40 120.57 2xf2 s VAL 588 Ca -0.12 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.03 2xf2 s VAL 588 Cb -0.07 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.79 2xf2 s VAL 588 CO 0.01 0.49 -0.16 -0.69 0.00 0.00 0.00 175.10 174.76 2xf2 s VAL 589 N 0.37 1.48 -0.23 2.92 1.01 0.26 -0.61 120.40 125.61 2xf2 s VAL 589 Ca -0.16 -0.66 -0.22 0.00 0.00 0.00 0.00 61.98 60.94 2xf2 s VAL 589 Cb -0.17 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 2xf2 s VAL 589 CO 0.07 0.43 0.72 -0.69 0.00 0.00 0.00 175.10 175.64 2xf2 s VAL 590 N 0.73 4.93 0.61 2.92 1.01 -0.28 0.07 120.40 130.38 2xf2 s VAL 590 Ca -0.12 1.35 -0.15 0.00 0.00 0.00 0.00 61.98 63.06 2xf2 s VAL 590 Cb -0.16 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 2xf2 s VAL 590 CO 0.03 0.01 1.05 0.00 0.00 0.00 0.00 175.10 176.19 2xf2 s ALA 591 N 2.49 2.75 -0.16 5.51 0.00 -0.19 -1.18 121.76 130.97 2xf2 s ALA 591 Ca 0.31 0.34 -0.29 0.00 0.00 0.00 0.00 51.96 52.32 2xf2 s ALA 591 Cb -0.16 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 2xf2 s ALA 591 CO 0.09 -0.85 1.69 0.34 0.00 0.00 0.00 175.76 177.03 2xf2 s ASP 592 N -2.95 6.39 0.00 0.00 -1.08 -1.19 -2.14 116.67 115.70 2xf2 s ASP 592 Ca 0.63 1.86 0.00 0.00 -0.52 0.00 0.00 52.55 54.52 2xf2 s ASP 592 Cb -0.15 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.78 2xf2 s ASP 592 CO 0.39 -1.21 0.00 0.61 0.52 0.00 0.00 175.17 175.49 2xf2 n GLY 593 N 4.59 0.68 0.03 2.66 0.00 -1.26 -3.85 105.19 108.04 2xf2 n GLY 593 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 2xf2 n GLY 593 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xf2 n ALA 594 N -1.12 3.71 0.14 4.61 0.00 -0.91 -4.51 120.51 122.44 2xf2 n ALA 594 Ca 0.00 -0.40 0.19 0.00 0.00 0.00 0.00 53.44 53.23 2xf2 n ALA 594 Cb 0.00 -1.06 0.78 0.00 0.00 0.00 0.00 19.45 19.17 2xf2 n ALA 594 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2xf2 h GLU 595 N 0.16 0.00 0.00 0.00 9.09 -1.84 -1.39 114.58 120.60 2xf2 h GLU 595 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2xf2 h GLU 595 Cb 0.51 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.61 2xf2 h GLU 595 CO 0.00 0.00 0.00 0.78 0.05 0.00 0.00 179.01 179.84 2xf2 h GLY 596 N 0.00 0.00 1.55 1.06 0.00 -1.95 -2.48 103.07 101.26 2xf2 h GLY 596 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2xf2 h GLY 596 CO -0.00 0.00 -0.08 1.04 0.00 0.00 0.00 176.54 177.49 2xf2 n LEU 597 N -2.65 0.15 -1.66 3.11 4.77 -0.53 -4.16 117.00 116.04 2xf2 n LEU 597 Ca 0.00 0.29 -0.16 0.00 -0.03 0.00 0.00 56.01 56.11 2xf2 n LEU 597 Cb 0.19 -0.35 0.15 0.00 -2.33 0.00 0.00 43.42 41.08 2xf2 n LEU 597 CO 0.20 0.03 0.82 0.49 -1.33 0.00 0.00 177.39 177.61 2xf2 n PHE 598 N -1.34 2.01 -1.73 -1.77 3.01 -0.93 -4.53 117.46 112.18 2xf2 n PHE 598 Ca 0.10 -1.99 -0.42 0.00 1.01 0.00 0.00 57.45 56.15 2xf2 n PHE 598 Cb 0.30 -0.70 -0.01 0.00 -0.01 0.00 0.00 39.48 39.06 2xf2 n PHE 598 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2xf2 n GLY 599 N -1.03 1.16 0.31 1.37 0.00 -1.26 -4.74 105.19 101.00 2xf2 n GLY 599 Ca 0.44 0.44 0.20 0.00 0.00 0.00 0.00 46.02 47.10 2xf2 n GLY 599 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xf2 h ALA 600 N 4.25 1.00 -0.26 4.61 0.00 -1.96 -1.34 119.26 125.56 2xf2 h ALA 600 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2xf2 h ALA 600 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2xf2 h ALA 600 CO 0.75 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.75 2xf2 n ASP 601 N -3.09 2.62 0.28 0.00 9.92 -1.26 -4.56 116.55 120.45 2xf2 n ASP 601 Ca -0.01 -1.87 0.14 0.00 -0.53 0.00 0.00 54.79 52.52 2xf2 n ASP 601 Cb 0.18 -0.17 0.80 0.00 -0.64 0.00 0.00 41.12 41.29 2xf2 n ASP 601 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 2xf2 h SER 602 N 3.47 0.00 -0.20 -2.24 4.64 -1.61 -2.23 113.55 115.39 2xf2 h SER 602 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 2xf2 h SER 602 Cb 0.76 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.84 2xf2 h SER 602 CO 0.00 0.07 -0.14 -0.26 -0.87 0.00 0.00 176.83 175.63 2xf2 h PHE 603 N 0.00 0.65 0.00 4.77 -1.00 -1.81 -3.07 116.94 116.48 2xf2 h PHE 603 Ca -0.00 -0.11 0.00 0.00 2.81 0.00 0.00 57.97 60.66 2xf2 h PHE 603 Cb 0.20 -0.17 0.00 0.00 3.61 0.00 0.00 35.95 39.59 2xf2 h PHE 603 CO 0.00 0.71 -0.04 0.25 -1.61 0.00 0.00 178.31 177.62 2xf2 n THR 604 N -4.17 0.00 -1.78 -1.55 -2.24 -1.03 -4.77 114.28 98.74 2xf2 n THR 604 Ca 0.01 -0.36 -0.42 0.00 -2.27 0.00 0.00 64.05 61.01 2xf2 n THR 604 Cb 0.36 0.97 -0.02 0.00 -2.10 0.00 0.00 70.33 69.53 2xf2 n THR 604 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2xf2 s VAL 605 N -0.81 2.13 0.09 2.28 0.11 -0.87 -4.92 120.40 118.41 2xf2 s VAL 605 Ca 0.00 0.10 -0.31 0.00 -2.93 0.00 0.00 61.98 58.84 2xf2 s VAL 605 Cb 0.00 -3.06 -0.08 0.00 -1.53 0.00 0.00 36.38 31.70 2xf2 s VAL 605 CO 0.00 0.01 1.59 -0.70 -3.33 0.00 0.00 175.10 172.67 2xf2 s GLU 606 N 0.51 4.22 -1.13 1.54 2.12 -1.26 -4.87 118.70 119.82 2xf2 s GLU 606 Ca 0.70 2.29 -0.10 0.00 0.36 0.00 0.00 54.97 58.21 2xf2 s GLU 606 Cb -0.48 -3.48 -0.07 0.00 0.26 0.00 0.00 34.13 30.36 2xf2 s GLU 606 CO 0.38 -0.67 2.31 -0.35 -0.54 0.00 0.00 175.26 176.39 2xf2 n PRO 607 N 5.12 2.48 -1.36 4.30 -0.04 -1.26 -4.79 135.00 139.44 2xf2 n PRO 607 Ca 0.15 -1.81 -0.30 0.00 -0.04 0.00 0.00 63.50 61.50 2xf2 n PRO 607 Cb 0.40 -2.69 0.10 0.00 -0.04 0.00 0.00 33.50 31.28 2xf2 n PRO 607 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2xf2 s SER 608 N 3.31 4.31 0.26 3.54 1.04 -1.26 -4.91 113.70 120.00 2xf2 s SER 608 Ca 0.51 1.56 -0.02 0.00 0.48 0.00 0.00 55.95 58.47 2xf2 s SER 608 Cb 0.13 -2.29 0.42 0.00 0.10 0.00 0.00 66.02 64.38 2xf2 s SER 608 CO -0.02 -2.12 1.87 0.00 0.98 0.00 0.00 173.24 173.95 2xf2 h ALA 609 N -1.19 1.37 -0.06 5.32 0.00 -1.99 -1.90 119.26 120.80 2xf2 h ALA 609 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2xf2 h ALA 609 Cb 1.25 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2xf2 h ALA 609 CO 0.55 0.37 0.00 0.41 0.00 0.00 0.00 179.25 180.58 2xf2 n GLY 610 N -1.35 -0.05 0.14 0.00 0.00 -1.26 -2.77 105.19 99.90 2xf2 n GLY 610 Ca 0.15 -0.40 0.02 0.00 0.00 0.00 0.00 46.02 45.80 2xf2 n GLY 610 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2xf2 h SER 611 N 1.97 0.00 -6.28 1.61 4.64 -1.65 -3.48 113.55 110.36 2xf2 h SER 611 Ca 0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 2xf2 h SER 611 Cb 0.42 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.43 2xf2 h SER 611 CO 0.00 0.50 -0.75 0.61 -0.87 0.00 0.00 176.83 176.32 2xf2 n GLY 612 N 1.23 -0.49 3.76 -0.77 0.00 -1.12 -4.96 105.19 102.85 2xf2 n GLY 612 Ca 0.01 0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 2xf2 n GLY 612 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xf2 s ALA 613 N -3.25 2.94 0.21 4.61 0.00 -1.26 -5.01 121.76 120.00 2xf2 s ALA 613 Ca 0.66 1.18 -0.20 0.00 0.00 0.00 0.00 51.96 53.60 2xf2 s ALA 613 Cb -0.34 -3.49 -0.08 0.00 0.00 0.00 0.00 23.12 19.21 2xf2 s ALA 613 CO 0.81 -1.05 0.71 0.45 0.00 0.00 0.00 175.76 176.68 2xf2 s SER 614 N -1.06 7.06 0.00 0.00 0.15 -1.26 -4.96 113.70 113.63 2xf2 s SER 614 Ca 0.67 1.40 0.27 0.00 0.70 0.00 0.00 55.95 58.98 2xf2 s SER 614 Cb -0.36 -2.41 0.77 0.00 -1.71 0.00 0.00 66.02 62.31 2xf2 s SER 614 CO 0.43 0.06 1.58 0.35 1.20 0.00 0.00 173.24 176.86 2xf2 n THR 615 N 0.83 0.00 0.46 6.45 -2.24 -1.26 -4.36 114.28 114.16 2xf2 n THR 615 Ca -0.03 -0.21 0.13 0.00 -2.27 0.00 0.00 64.05 61.67 2xf2 n THR 615 Cb 0.51 0.59 0.44 0.00 -2.10 0.00 0.00 70.33 69.76 2xf2 n THR 615 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2xf2 h LEU 616 N 2.01 0.00 -7.28 3.22 3.38 -1.92 -3.45 115.31 111.26 2xf2 h LEU 616 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2xf2 h LEU 616 Cb 0.56 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.15 2xf2 h LEU 616 CO 0.00 0.00 -0.02 -0.72 0.09 0.00 0.00 178.44 177.79 2xf2 s TYR 617 N -3.25 -0.34 0.61 1.13 -0.85 -1.26 -4.26 117.35 109.12 2xf2 s TYR 617 Ca 0.07 0.31 -0.19 0.00 -0.52 0.00 0.00 57.07 56.74 2xf2 s TYR 617 Cb 0.10 0.29 -0.04 0.00 0.38 0.00 0.00 41.96 42.70 2xf2 s TYR 617 CO 0.53 -0.63 1.15 -2.30 -1.52 0.00 0.00 175.55 172.78 2xf2 n PRO 618 N 0.35 1.10 -1.69 -3.49 -0.02 -1.26 -4.85 135.00 125.16 2xf2 n PRO 618 Ca -0.18 0.43 -0.59 0.00 -2.02 0.00 0.00 63.50 61.13 2xf2 n PRO 618 Cb 0.61 -2.36 -0.08 0.00 -0.02 0.00 0.00 33.50 31.65 2xf2 n PRO 618 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2xf2 n ALA 619 N -1.67 -0.79 -0.99 3.55 0.00 -1.26 -1.65 120.51 117.70 2xf2 n ALA 619 Ca 0.14 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.02 2xf2 n ALA 619 Cb 0.47 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.81 2xf2 n ALA 619 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xf2 n GLY 620 N 3.71 0.52 0.23 0.00 0.00 -1.16 -4.71 105.19 103.77 2xf2 n GLY 620 Ca 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.22 2xf2 n GLY 620 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2xf2 h ARG 621 N 1.15 -0.10 -0.32 1.61 9.65 -1.66 0.22 114.38 124.93 2xf2 h ARG 621 Ca 0.00 0.01 0.04 0.00 -1.10 0.00 0.00 59.98 58.92 2xf2 h ARG 621 Cb 0.07 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.64 2xf2 h ARG 621 CO 0.00 -0.07 0.10 -1.35 2.80 0.00 0.00 179.97 181.46 2xf2 h PRO 622 N -0.11 0.23 -0.33 0.20 0.11 -1.86 -1.18 132.00 129.07 2xf2 h PRO 622 Ca 0.19 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.21 2xf2 h PRO 622 Cb 0.39 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 2xf2 h PRO 622 CO -0.44 0.15 -0.09 1.25 -0.21 0.00 0.00 178.00 178.66 2xf2 h LEU 623 N 0.24 0.53 -0.63 2.35 5.85 -1.71 -2.57 115.31 119.37 2xf2 h LEU 623 Ca 0.14 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2xf2 h LEU 623 Cb 0.12 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2xf2 h LEU 623 CO -0.15 0.66 0.36 -1.13 -0.34 0.00 0.00 178.44 177.84 2xf2 h ASN 624 N 0.51 0.77 -0.27 1.25 -1.24 -0.44 0.88 115.58 117.04 2xf2 h ASN 624 Ca 0.10 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.03 2xf2 h ASN 624 Cb 0.47 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.31 2xf2 h ASN 624 CO 0.03 0.63 0.18 0.40 -1.29 0.00 0.00 177.43 177.38 2xf2 h ILE 625 N 0.85 1.07 0.18 2.57 2.04 -0.90 0.57 117.51 123.90 2xf2 h ILE 625 Ca 0.22 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 2xf2 h ILE 625 Cb 0.02 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2xf2 h ILE 625 CO -0.04 0.07 -0.09 0.25 0.00 0.00 0.00 178.15 178.34 2xf2 h LEU 626 N 0.37 -0.21 -0.65 1.44 5.85 -1.16 -1.33 115.31 119.62 2xf2 h LEU 626 Ca 0.10 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 2xf2 h LEU 626 Cb -0.04 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2xf2 h LEU 626 CO -0.02 -0.12 0.14 -0.07 -0.34 0.00 0.00 178.44 178.02 2xf2 h LEU 627 N -0.28 1.01 -0.37 2.25 3.38 -0.76 -1.45 115.31 119.08 2xf2 h LEU 627 Ca -0.03 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 2xf2 h LEU 627 Cb 0.22 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2xf2 h LEU 627 CO 0.04 0.99 0.23 0.44 0.09 0.00 0.00 178.44 180.23 2xf2 h ASP 628 N 0.98 0.44 -0.45 -0.43 3.32 -0.87 -0.42 116.42 118.99 2xf2 h ASP 628 Ca 0.20 -0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.26 2xf2 h ASP 628 Cb 0.39 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.78 2xf2 h ASP 628 CO 0.01 0.36 0.17 0.00 -1.72 0.00 0.00 179.24 178.06 2xf2 h ALA 629 N 1.10 0.54 0.01 3.45 0.00 -0.93 0.26 119.26 123.70 2xf2 h ALA 629 Ca 0.13 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2xf2 h ALA 629 Cb -0.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2xf2 h ALA 629 CO -0.03 -0.21 -0.00 0.35 0.00 0.00 0.00 179.25 179.36 2xf2 h PHE 630 N 0.36 -0.01 -0.10 0.00 3.57 -1.03 -1.39 116.94 118.34 2xf2 h PHE 630 Ca 0.21 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 2xf2 h PHE 630 Cb 0.18 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 2xf2 h PHE 630 CO -0.14 0.06 -0.14 0.00 -2.23 0.00 0.00 178.31 175.86 2xf2 h ARG 631 N -0.08 0.15 0.00 1.11 3.08 -0.62 -1.56 114.38 116.46 2xf2 h ARG 631 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2xf2 h ARG 631 Cb 0.07 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2xf2 h ARG 631 CO 0.00 0.30 0.00 1.19 -1.07 0.00 0.00 179.97 180.39 2xf2 n PHE 632 N -4.30 0.02 -0.18 3.04 3.72 0.04 -4.91 117.46 114.89 2xf2 n PHE 632 Ca -0.01 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 2xf2 n PHE 632 Cb 0.25 -0.51 0.00 0.00 -0.94 0.00 0.00 39.48 38.28 2xf2 n PHE 632 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2xf2 n GLY 633 N 1.46 0.90 3.84 1.37 0.00 -0.59 -4.80 105.19 107.37 2xf2 n GLY 633 Ca 0.07 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 2xf2 n GLY 633 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2xf2 s LYS 634 N -0.68 3.72 0.06 1.61 1.02 -0.54 -0.40 119.74 124.52 2xf2 s LYS 634 Ca 0.00 0.97 -0.34 0.00 0.02 0.00 0.00 55.97 56.61 2xf2 s LYS 634 Cb 0.00 -2.10 -0.13 0.00 -0.52 0.00 0.00 37.83 35.08 2xf2 s LYS 634 CO 0.00 -0.47 1.66 2.41 -0.92 0.00 0.00 175.35 178.03 2xf2 n THR 635 N -1.94 0.20 -4.50 2.17 -1.04 -1.25 -4.63 114.28 103.29 2xf2 n THR 635 Ca 0.07 -0.04 -0.25 0.00 -2.04 0.00 0.00 64.05 61.79 2xf2 n THR 635 Cb 0.54 -1.57 -0.13 0.00 -1.82 0.00 0.00 70.33 67.34 2xf2 n THR 635 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2xf2 s VAL 636 N 2.00 1.70 0.11 12.58 -7.23 -0.26 -1.45 120.40 127.85 2xf2 s VAL 636 Ca 0.85 -1.34 -0.08 0.00 -1.81 0.00 0.00 61.98 59.59 2xf2 s VAL 636 Cb -0.72 -1.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.71 2xf2 s VAL 636 CO 0.44 0.10 0.19 -0.83 -0.31 0.00 0.00 175.10 174.69 2xf2 s GLY 637 N -1.48 0.26 -0.12 2.32 0.00 0.22 -0.90 107.32 107.63 2xf2 s GLY 637 Ca 0.07 -0.77 -0.12 0.00 0.00 0.00 0.00 44.72 43.90 2xf2 s GLY 637 CO 0.03 -0.88 0.34 0.00 0.00 0.00 0.00 173.10 172.59 2xf2 s ALA 638 N -3.90 -0.85 -0.09 3.20 0.00 -0.20 -1.12 121.76 118.80 2xf2 s ALA 638 Ca 0.09 0.90 0.01 0.00 0.00 0.00 0.00 51.96 52.96 2xf2 s ALA 638 Cb 0.05 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 2xf2 s ALA 638 CO -0.07 -0.18 -0.10 -0.51 0.00 0.00 0.00 175.76 174.90 2xf2 s LEU 639 N -0.01 2.97 0.00 0.00 1.43 -0.33 -1.75 118.68 120.99 2xf2 s LEU 639 Ca -0.02 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 2xf2 s LEU 639 Cb -0.03 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.54 2xf2 s LEU 639 CO 0.01 0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.49 2xf2 n GLY 640 N 2.68 2.92 0.00 -3.19 0.00 0.35 -0.05 105.19 107.90 2xf2 n GLY 640 Ca -0.18 -0.06 0.09 0.00 0.00 0.00 0.00 46.02 45.87 2xf2 n GLY 640 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2xf2 n SER 641 N 2.41 0.00 0.29 1.61 7.64 -1.26 -2.46 113.62 121.85 2xf2 n SER 641 Ca 0.00 -0.38 0.15 0.00 1.01 0.00 0.00 58.87 59.65 2xf2 n SER 641 Cb 0.00 -0.09 0.89 0.00 -1.01 0.00 0.00 64.21 64.01 2xf2 n SER 641 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2xf2 h GLY 642 N 2.81 0.00 1.75 0.23 0.00 -0.64 -2.10 103.07 105.11 2xf2 h GLY 642 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 2xf2 h GLY 642 CO 0.00 0.00 0.11 1.48 0.00 0.00 0.00 176.54 178.13 2xf2 h SER 643 N 0.00 0.00 -0.57 0.19 4.64 -1.62 -0.38 113.55 115.82 2xf2 h SER 643 Ca 0.01 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.43 2xf2 h SER 643 Cb 0.03 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 2xf2 h SER 643 CO -0.00 0.00 0.39 0.44 -0.87 0.00 0.00 176.83 176.79 2xf2 h ASP 644 N 0.00 0.29 -0.35 4.97 3.32 -1.65 -1.75 116.42 121.26 2xf2 h ASP 644 Ca 0.03 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 2xf2 h ASP 644 Cb 0.25 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 2xf2 h ASP 644 CO -0.00 0.18 -0.00 0.00 -1.72 0.00 0.00 179.24 177.69 2xf2 h ALA 645 N 1.71 1.17 -0.81 3.45 0.00 -1.27 -1.79 119.26 121.72 2xf2 h ALA 645 Ca 0.26 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2xf2 h ALA 645 Cb 0.61 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2xf2 h ALA 645 CO -0.06 0.54 0.38 -0.07 0.00 0.00 0.00 179.25 180.03 2xf2 h LEU 646 N 0.68 1.07 -0.45 0.00 3.38 -1.45 -1.95 115.31 116.59 2xf2 h LEU 646 Ca 0.14 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2xf2 h LEU 646 Cb 0.42 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2xf2 h LEU 646 CO 0.02 0.91 0.12 -0.33 0.09 0.00 0.00 178.44 179.24 2xf2 h GLU 647 N 1.15 0.71 -0.71 1.13 5.08 -1.31 0.22 114.58 120.85 2xf2 h GLU 647 Ca 0.28 -0.17 0.08 0.00 -1.00 0.00 0.00 59.36 58.55 2xf2 h GLU 647 Cb 0.13 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 2xf2 h GLU 647 CO -0.03 0.70 0.47 0.77 -1.00 0.00 0.00 179.01 179.92 2xf2 h SER 648 N 0.59 0.61 -0.11 1.42 0.02 -1.11 -1.71 113.55 113.26 2xf2 h SER 648 Ca 0.14 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2xf2 h SER 648 Cb 0.30 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2xf2 h SER 648 CO -0.00 0.38 0.00 0.61 -1.14 0.00 0.00 176.83 176.68 2xf2 n GLY 649 N -1.46 0.41 3.22 -3.77 0.00 -0.75 -4.58 105.19 98.26 2xf2 n GLY 649 Ca 0.11 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 2xf2 n GLY 649 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2xf2 n GLN 650 N 0.51 -6.08 -3.55 1.61 6.02 -0.35 -4.97 117.38 110.57 2xf2 n GLN 650 Ca 0.17 0.86 -0.40 0.00 -0.01 0.00 0.00 57.00 57.62 2xf2 n GLN 650 Cb 0.40 -5.74 -0.11 0.00 1.02 0.00 0.00 30.24 25.81 2xf2 n GLN 650 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2xf2 s ILE 651 N -3.23 5.06 0.02 5.09 1.01 0.64 -5.02 121.20 124.78 2xf2 s ILE 651 Ca 0.41 -0.39 -0.30 0.00 0.00 0.00 0.00 60.65 60.37 2xf2 s ILE 651 Cb -0.18 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 2xf2 s ILE 651 CO 0.51 -0.06 1.06 -0.55 0.00 0.00 0.00 174.94 175.90 2xf2 s SER 652 N 1.68 7.26 0.00 3.58 0.15 -1.26 -4.33 113.70 120.77 2xf2 s SER 652 Ca 0.05 1.79 0.16 0.00 0.70 0.00 0.00 55.95 58.65 2xf2 s SER 652 Cb -0.18 -2.57 0.73 0.00 -1.71 0.00 0.00 66.02 62.29 2xf2 s SER 652 CO 0.09 -0.34 1.50 -1.54 1.20 0.00 0.00 173.24 174.15 2xf2 n SER 653 N 3.94 0.00 0.22 5.45 3.41 -1.26 -2.11 113.62 123.26 2xf2 n SER 653 Ca 0.07 0.36 0.14 0.00 -0.26 0.00 0.00 58.87 59.18 2xf2 n SER 653 Cb 0.49 -0.43 0.47 0.00 -0.26 0.00 0.00 64.21 64.48 2xf2 n SER 653 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2xf2 h GLU 654 N 0.00 0.00 -7.03 4.33 4.39 -1.91 -3.45 114.58 110.91 2xf2 h GLU 654 Ca 0.00 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.19 2xf2 h GLU 654 Cb 0.24 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 28.96 2xf2 h GLU 654 CO 0.00 0.00 0.47 1.03 -1.16 0.00 0.00 179.01 179.35 2xf2 s ARG 655 N -3.41 3.59 0.36 2.33 1.81 -0.90 -4.99 118.95 117.74 2xf2 s ARG 655 Ca 0.04 1.74 -0.29 0.00 -1.72 0.00 0.00 55.73 55.51 2xf2 s ARG 655 Cb 0.08 -2.27 -0.11 0.00 -0.45 0.00 0.00 34.95 32.20 2xf2 s ARG 655 CO 0.57 -0.68 1.51 -0.65 -0.68 0.00 0.00 175.30 175.37 2xf2 s GLN 656 N -2.90 4.11 -0.08 3.54 -1.52 -1.26 -2.87 119.66 118.68 2xf2 s GLN 656 Ca 0.67 2.57 0.00 0.00 -1.95 0.00 0.00 55.36 56.65 2xf2 s GLN 656 Cb -0.28 -2.98 0.00 0.00 -0.22 0.00 0.00 33.01 29.53 2xf2 s GLN 656 CO 0.33 -0.55 0.00 0.41 -0.25 0.00 0.00 175.29 175.22 2xf2 n GLY 657 N 0.86 0.48 3.18 3.09 0.00 -1.26 -4.99 105.19 106.56 2xf2 n GLY 657 Ca 0.03 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 2xf2 n GLY 657 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2xf2 s VAL 658 N -1.97 2.41 -0.04 1.61 1.01 -1.14 -1.10 120.40 121.18 2xf2 s VAL 658 Ca 0.00 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.20 2xf2 s VAL 658 Cb 0.00 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 2xf2 s VAL 658 CO 0.00 0.51 -0.19 -0.31 0.00 0.00 0.00 175.10 175.11 2xf2 s TYR 659 N 1.22 1.84 0.14 5.22 2.02 -0.08 -4.82 117.35 122.90 2xf2 s TYR 659 Ca 0.03 -0.49 0.11 0.00 -0.37 0.00 0.00 57.07 56.34 2xf2 s TYR 659 Cb -0.14 -1.22 -0.04 0.00 -0.40 0.00 0.00 41.96 40.16 2xf2 s TYR 659 CO -0.08 -0.14 -0.24 0.95 -1.57 0.00 0.00 175.55 174.47 2xf2 s THR 660 N -0.12 2.43 0.02 -0.71 -4.23 -1.26 -1.03 115.64 110.74 2xf2 s THR 660 Ca -0.01 -1.77 -0.12 0.00 -1.18 0.00 0.00 61.69 58.61 2xf2 s THR 660 Cb -0.11 -2.11 0.01 0.00 1.34 0.00 0.00 72.50 71.64 2xf2 s THR 660 CO 0.02 0.04 0.26 -0.83 -0.54 0.00 0.00 174.62 173.57 2xf2 s GLY 661 N -2.24 -0.08 0.08 3.99 0.00 -0.72 -4.95 107.32 103.41 2xf2 s GLY 661 Ca 0.17 0.02 -0.15 0.00 0.00 0.00 0.00 44.72 44.75 2xf2 s GLY 661 CO 0.08 -0.18 1.33 1.70 0.00 0.00 0.00 173.10 176.04 2xf2 h LYS 662 N 3.58 0.66 -4.06 2.90 3.64 -1.94 0.10 116.57 121.46 2xf2 h LYS 662 Ca -0.31 -0.44 -0.20 0.00 -1.27 0.00 0.00 60.65 58.43 2xf2 h LYS 662 Cb 1.19 0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 32.97 2xf2 h LYS 662 CO 0.44 1.06 -0.25 0.54 -2.27 0.00 0.00 179.45 178.97 2xf2 s ASN 663 N -6.69 0.44 -0.90 4.20 2.20 -1.26 -3.23 114.94 109.69 2xf2 s ASN 663 Ca -0.12 -1.28 -0.07 0.00 -0.94 0.00 0.00 52.86 50.45 2xf2 s ASN 663 Cb 0.08 0.58 -0.11 0.00 -2.00 0.00 0.00 41.25 39.80 2xf2 s ASN 663 CO 0.84 -1.16 3.11 0.00 -2.94 0.00 0.00 177.10 176.96 2xf2 n ALA 664 N -0.45 6.96 -2.13 3.54 0.00 -1.26 -4.66 120.51 122.50 2xf2 n ALA 664 Ca 0.00 -2.95 0.00 0.00 0.00 0.00 0.00 53.44 50.49 2xf2 n ALA 664 Cb 0.62 -2.81 0.00 0.00 0.00 0.00 0.00 19.45 17.26 2xf2 n ALA 664 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xf2 n GLY 665 N 2.71 0.83 0.24 0.00 0.00 -1.26 -4.24 105.19 103.47 2xf2 n GLY 665 Ca 0.61 -1.95 -0.03 0.00 0.00 0.00 0.00 46.02 44.66 2xf2 n GLY 665 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2xf2 h ASP 666 N 0.00 0.48 -0.60 1.61 3.32 -1.96 -2.42 116.42 116.85 2xf2 h ASP 666 Ca 0.00 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 56.84 2xf2 h ASP 666 Cb 0.00 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 2xf2 h ASP 666 CO 0.00 0.71 0.15 0.00 -1.72 0.00 0.00 179.24 178.37 2xf2 h ALA 667 N 1.34 1.07 -0.11 3.45 0.00 -1.94 -1.50 119.26 121.56 2xf2 h ALA 667 Ca 0.07 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 2xf2 h ALA 667 Cb 0.63 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.18 2xf2 h ALA 667 CO 0.04 0.61 -0.59 0.35 0.00 0.00 0.00 179.25 179.67 2xf2 h PHE 668 N 0.94 0.82 -0.79 0.00 3.57 -1.78 -3.11 116.94 116.59 2xf2 h PHE 668 Ca 0.20 -0.36 0.05 0.00 3.53 0.00 0.00 57.97 61.39 2xf2 h PHE 668 Cb 0.34 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.91 2xf2 h PHE 668 CO 0.02 1.16 0.52 0.00 -2.23 0.00 0.00 178.31 177.78 2xf2 h ALA 669 N 0.49 1.60 -0.40 2.41 0.00 -1.30 -1.68 119.26 120.38 2xf2 h ALA 669 Ca -0.04 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2xf2 h ALA 669 Cb 1.23 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2xf2 h ALA 669 CO 0.12 0.29 0.20 -0.22 0.00 0.00 0.00 179.25 179.64 2xf2 h LYS 670 N 0.88 0.40 -0.60 0.00 3.64 -1.25 0.81 116.57 120.45 2xf2 h LYS 670 Ca 0.33 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.65 2xf2 h LYS 670 Cb 0.18 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 2xf2 h LYS 670 CO -0.11 0.26 0.24 -0.44 -2.27 0.00 0.00 179.45 177.14 2xf2 h ASP 671 N 0.41 0.82 -0.62 4.20 3.32 -1.29 -1.50 116.42 121.76 2xf2 h ASP 671 Ca 0.17 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 2xf2 h ASP 671 Cb 0.07 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 2xf2 h ASP 671 CO -0.12 0.76 0.10 0.40 -1.72 0.00 0.00 179.24 178.66 2xf2 h ILE 672 N 0.83 1.26 -0.90 0.35 1.08 -1.01 0.09 117.51 119.21 2xf2 h ILE 672 Ca 0.20 -1.02 -0.00 0.00 -0.39 0.00 0.00 64.86 63.65 2xf2 h ILE 672 Cb 0.20 0.71 -0.04 0.00 -3.07 0.00 0.00 36.82 34.61 2xf2 h ILE 672 CO -0.02 0.38 0.55 0.11 -0.69 0.00 0.00 178.15 178.48 2xf2 h LYS 673 N 0.94 1.22 -0.12 2.37 1.57 -0.65 0.15 116.57 122.06 2xf2 h LYS 673 Ca 0.19 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2xf2 h LYS 673 Cb 0.44 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2xf2 h LYS 673 CO 0.01 0.85 0.05 1.03 -0.57 0.00 0.00 179.45 180.82 2xf2 h SER 674 N 1.24 0.16 -0.35 0.86 0.87 -0.82 -1.48 113.55 114.04 2xf2 h SER 674 Ca 0.32 -0.16 0.04 0.00 -1.23 0.00 0.00 61.79 60.76 2xf2 h SER 674 Cb -0.06 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 61.82 2xf2 h SER 674 CO -0.06 0.28 0.14 1.23 -0.53 0.00 0.00 176.83 177.89 2xf2 h GLY 675 N 0.04 0.46 1.36 5.77 0.00 -0.67 -2.03 103.07 108.00 2xf2 h GLY 675 Ca 0.04 -0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 2xf2 h GLY 675 CO -0.00 0.05 0.05 1.41 0.00 0.00 0.00 176.54 178.05 2xf2 h LEU 676 N 0.30 0.74 -0.81 3.11 3.38 -0.63 0.10 115.31 121.50 2xf2 h LEU 676 Ca 0.16 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 2xf2 h LEU 676 Cb 0.11 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2xf2 h LEU 676 CO -0.14 0.78 -0.52 0.77 0.09 0.00 0.00 178.44 179.42 2xf2 h SER 677 N 0.75 0.20 -0.03 -0.43 4.64 -1.01 -2.24 113.55 115.42 2xf2 h SER 677 Ca 0.15 -0.10 -0.12 0.00 -0.47 0.00 0.00 61.79 61.25 2xf2 h SER 677 Cb 0.38 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2xf2 h SER 677 CO 0.01 0.69 -0.37 0.74 -0.87 0.00 0.00 176.83 177.03 2xf2 h THR 678 N 0.14 1.29 0.00 2.95 2.02 -1.04 -0.19 112.91 118.09 2xf2 h THR 678 Ca 0.00 -1.51 0.00 0.00 0.77 0.00 0.00 66.41 65.67 2xf2 h THR 678 Cb 0.97 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 2xf2 h THR 678 CO 0.08 0.48 0.00 0.33 0.37 0.00 0.00 175.52 176.77 2xf2 n PHE 679 N -4.05 0.00 -4.25 3.16 7.35 0.33 -4.74 117.46 115.26 2xf2 n PHE 679 Ca -0.01 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.48 2xf2 n PHE 679 Cb 0.49 0.00 -0.16 0.00 0.35 0.00 0.00 39.48 40.16 2xf2 n PHE 679 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 2xf2 s LYS 680 N 0.00 0.89 -0.58 -4.13 2.20 -1.26 -4.45 119.74 112.41 2xf2 s LYS 680 Ca 0.00 -0.18 -0.20 0.00 -0.36 0.00 0.00 55.97 55.23 2xf2 s LYS 680 Cb 0.00 -0.86 0.08 0.00 -1.51 0.00 0.00 37.83 35.54 2xf2 s LYS 680 CO 0.00 -0.02 0.76 -0.06 -0.36 0.00 0.00 175.35 175.67 2xf2 s PHE 681 N 0.66 2.92 -0.85 4.03 0.08 0.47 -4.92 117.98 120.37 2xf2 s PHE 681 Ca -0.09 -0.70 0.25 0.00 0.12 0.00 0.00 56.93 56.50 2xf2 s PHE 681 Cb -0.13 -3.96 0.97 0.00 -0.57 0.00 0.00 43.02 39.33 2xf2 s PHE 681 CO 0.01 -1.31 1.77 1.28 -0.10 0.00 0.00 175.22 176.87 2xf2 n LEU 682 N 6.67 0.33 0.00 -0.37 4.77 -1.26 -2.99 117.00 124.15 2xf2 n LEU 682 Ca -0.07 0.54 0.08 0.00 -0.03 0.00 0.00 56.01 56.54 2xf2 n LEU 682 Cb 0.44 -0.46 0.43 0.00 -2.33 0.00 0.00 43.42 41.50 2xf2 n LEU 682 CO 0.59 -0.17 0.75 -0.90 -1.33 0.00 0.00 177.39 176.33 2xf2 n ASP 683 N -1.82 0.00 -0.43 -1.43 3.85 -1.26 -2.44 116.55 113.01 2xf2 n ASP 683 Ca 0.05 0.06 0.12 0.00 -0.71 0.00 0.00 54.79 54.31 2xf2 n ASP 683 Cb 0.32 -0.29 0.49 0.00 -1.35 0.00 0.00 41.12 40.29 2xf2 n ASP 683 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2xf2 n ARG 684 N -1.29 1.58 -4.70 0.11 1.74 -1.16 -4.82 116.66 108.12 2xf2 n ARG 684 Ca 0.08 -0.85 -0.33 0.00 -0.77 0.00 0.00 57.85 55.98 2xf2 n ARG 684 Cb 0.14 -1.42 -0.15 0.00 -1.02 0.00 0.00 32.46 30.00 2xf2 n ARG 684 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2xf2 s PHE 685 N -1.90 2.76 0.37 -1.55 0.08 -1.02 -5.03 117.98 111.68 2xf2 s PHE 685 Ca 0.35 -0.91 -0.27 0.00 0.12 0.00 0.00 56.93 56.22 2xf2 s PHE 685 Cb 0.19 -1.85 -0.09 0.00 -0.57 0.00 0.00 43.02 40.69 2xf2 s PHE 685 CO 0.29 -0.38 1.27 0.00 -0.10 0.00 0.00 175.22 176.30 2xf2 s ALA 686 N 0.61 3.33 0.02 5.36 0.00 -1.26 -5.04 121.76 124.77 2xf2 s ALA 686 Ca -0.09 1.17 0.08 0.00 0.00 0.00 0.00 51.96 53.12 2xf2 s ALA 686 Cb -0.16 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.48 2xf2 s ALA 686 CO 0.03 -0.67 -0.24 0.08 0.00 0.00 0.00 175.76 174.96 2xf2 s VAL 687 N -1.24 1.90 0.31 0.00 1.01 -1.26 -5.01 120.40 116.11 2xf2 s VAL 687 Ca 0.53 -1.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 2xf2 s VAL 687 Cb -0.37 -1.61 -0.12 0.00 0.00 0.00 0.00 36.38 34.28 2xf2 s VAL 687 CO 0.48 0.40 1.36 0.47 0.00 0.00 0.00 175.10 177.81 2xf2 n ASP 688 N 2.12 2.92 -0.61 3.32 8.00 -1.26 -5.18 116.55 125.85 2xf2 n ASP 688 Ca -0.16 1.18 0.13 0.00 0.71 0.00 0.00 54.79 56.65 2xf2 n ASP 688 Cb 0.52 -1.49 0.41 0.00 -0.02 0.00 0.00 41.12 40.54 2xf2 n ASP 688 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19