#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pa6 h LEU 2 N 0.00 0.44 -0.18 4.03 3.38 -2.10 -1.26 115.31 119.61 2pa6 h LEU 2 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2pa6 h LEU 2 Cb 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2pa6 h LEU 2 CO 0.00 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.75 2pa6 n TYR 3 N -4.50 0.22 1.10 1.13 0.18 -1.26 -1.99 117.16 112.04 2pa6 n TYR 3 Ca 0.16 0.09 0.12 0.00 1.88 0.00 0.00 57.90 60.15 2pa6 n TYR 3 Cb 0.55 -0.64 0.27 0.00 -0.38 0.00 0.00 39.34 39.14 2pa6 n TYR 3 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 2pa6 n ASN 4 N -1.70 0.81 -4.74 9.48 3.02 -0.48 -4.85 115.26 116.81 2pa6 n ASN 4 Ca 0.03 -0.61 -0.41 0.00 -0.03 0.00 0.00 54.58 53.56 2pa6 n ASN 4 Cb 0.19 0.26 -0.03 0.00 -0.61 0.00 0.00 39.78 39.59 2pa6 n ASN 4 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2pa6 s MET 5 N -2.78 4.46 -0.27 3.52 -1.94 -0.84 -5.00 119.30 116.45 2pa6 s MET 5 Ca 0.17 1.91 -0.04 0.00 -1.71 0.00 0.00 55.69 56.02 2pa6 s MET 5 Cb 0.18 -3.24 0.15 0.00 2.01 0.00 0.00 34.83 33.94 2pa6 s MET 5 CO 0.63 -0.15 0.53 0.34 -0.01 0.00 0.00 175.02 176.37 2pa6 s ASP 6 N 0.27 -0.81 0.65 3.03 -1.08 -1.26 -5.02 116.67 112.46 2pa6 s ASP 6 Ca 0.54 0.87 0.42 0.00 -0.52 0.00 0.00 52.55 53.87 2pa6 s ASP 6 Cb -0.33 1.84 2.31 0.00 -1.46 0.00 0.00 42.92 45.28 2pa6 s ASP 6 CO 0.36 -0.26 2.35 -0.08 0.52 0.00 0.00 175.17 178.06 2pa6 h GLU 7 N 8.07 0.00 0.00 4.34 4.81 -2.00 -2.40 114.58 127.40 2pa6 h GLU 7 Ca -0.20 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.02 2pa6 h GLU 7 Cb 1.14 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 2pa6 h GLU 7 CO 0.21 0.00 -0.03 0.00 -0.73 0.00 0.00 179.01 178.46 2pa6 h ARG 8 N 0.00 0.00 -0.01 1.92 3.08 -1.95 -1.99 114.38 115.43 2pa6 h ARG 8 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2pa6 h ARG 8 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2pa6 h ARG 8 CO 0.00 0.03 -0.13 1.19 -1.07 0.00 0.00 179.97 179.99 2pa6 n PHE 9 N -3.94 0.00 -2.03 3.04 3.01 -0.90 -0.88 117.46 115.76 2pa6 n PHE 9 Ca -0.03 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.02 2pa6 n PHE 9 Cb 0.12 -0.11 -0.02 0.00 -0.01 0.00 0.00 39.48 39.45 2pa6 n PHE 9 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 2pa6 s GLU 10 N -2.36 4.28 -0.12 -1.08 2.02 -0.75 -0.69 118.70 120.00 2pa6 s GLU 10 Ca 0.30 2.29 -0.29 0.00 0.02 0.00 0.00 54.97 57.28 2pa6 s GLU 10 Cb 0.20 -3.11 -0.04 0.00 0.10 0.00 0.00 34.13 31.28 2pa6 s GLU 10 CO 0.46 -0.41 1.52 0.42 0.02 0.00 0.00 175.26 177.27 2pa6 s ILE 11 N -0.03 3.83 -0.06 -1.63 1.01 -0.25 -0.63 121.20 123.44 2pa6 s ILE 11 Ca 0.59 1.00 -0.04 0.00 0.00 0.00 0.00 60.65 62.20 2pa6 s ILE 11 Cb -0.41 -3.68 -0.27 0.00 0.01 0.00 0.00 42.46 38.11 2pa6 s ILE 11 CO 0.43 -0.12 0.59 0.50 0.00 0.00 0.00 174.94 176.34 2pa6 h LYS 12 N 9.27 0.25 -2.77 2.79 3.64 -0.83 0.21 116.57 129.13 2pa6 h LYS 12 Ca -0.34 -0.42 -0.03 0.00 -1.27 0.00 0.00 60.65 58.58 2pa6 h LYS 12 Cb 1.15 0.16 -0.14 0.00 -0.41 0.00 0.00 32.23 32.99 2pa6 h LYS 12 CO 0.97 1.10 0.17 0.34 -2.27 0.00 0.00 179.45 179.76 2pa6 s ASP 13 N -6.93 -0.56 -0.05 4.20 2.15 -0.98 -4.88 116.67 109.61 2pa6 s ASP 13 Ca -0.15 0.16 -0.04 0.00 0.43 0.00 0.00 52.55 52.95 2pa6 s ASP 13 Cb 0.07 0.57 0.02 0.00 -0.30 0.00 0.00 42.92 43.28 2pa6 s ASP 13 CO 0.81 -0.86 0.13 -0.63 -0.17 0.00 0.00 175.17 174.46 2pa6 s ILE 14 N -3.05 -0.02 -0.04 4.11 1.01 -1.26 -2.02 121.20 119.94 2pa6 s ILE 14 Ca -0.02 0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.69 2pa6 s ILE 14 Cb -0.01 -0.21 0.03 0.00 0.01 0.00 0.00 42.46 42.29 2pa6 s ILE 14 CO -0.07 0.03 0.08 -0.69 0.00 0.00 0.00 174.94 174.30 2pa6 s VAL 15 N 0.52 -0.04 0.12 2.92 1.01 -0.59 -4.93 120.40 119.42 2pa6 s VAL 15 Ca -0.04 0.15 0.09 0.00 0.00 0.00 0.00 61.98 62.18 2pa6 s VAL 15 Cb -0.05 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 2pa6 s VAL 15 CO -0.02 0.06 -0.18 0.00 0.00 0.00 0.00 175.10 174.95 2pa6 s ALA 16 N 0.85 2.67 0.14 5.51 0.00 -1.26 -0.28 121.76 129.39 2pa6 s ALA 16 Ca -0.07 -1.37 -0.10 0.00 0.00 0.00 0.00 51.96 50.42 2pa6 s ALA 16 Cb -0.09 -0.63 -0.00 0.00 0.00 0.00 0.00 23.12 22.40 2pa6 s ALA 16 CO -0.03 0.58 0.28 -0.98 0.00 0.00 0.00 175.76 175.60 2pa6 s ARG 17 N -2.18 1.08 -0.28 0.00 1.70 -0.07 -4.94 118.95 114.26 2pa6 s ARG 17 Ca 0.18 -1.07 -0.12 0.00 -0.47 0.00 0.00 55.73 54.25 2pa6 s ARG 17 Cb -0.10 0.38 -0.05 0.00 -0.57 0.00 0.00 34.95 34.61 2pa6 s ARG 17 CO 0.10 -0.39 0.22 -2.00 -1.08 0.00 0.00 175.30 172.15 2pa6 s GLU 18 N -3.92 3.95 0.24 3.89 2.12 -1.26 -1.72 118.70 122.00 2pa6 s GLU 18 Ca 0.13 -0.27 0.00 0.00 0.36 0.00 0.00 54.97 55.19 2pa6 s GLU 18 Cb 0.03 -3.66 -0.00 0.00 0.26 0.00 0.00 34.13 30.76 2pa6 s GLU 18 CO -0.04 -0.20 0.02 1.33 -0.54 0.00 0.00 175.26 175.83 2pa6 n VAL 19 N 5.07 0.00 -4.34 3.70 0.24 -0.56 -4.94 118.33 117.50 2pa6 n VAL 19 Ca -0.13 -1.19 -0.28 0.00 -2.04 0.00 0.00 64.34 60.69 2pa6 n VAL 19 Cb 0.52 0.28 -0.11 0.00 -1.47 0.00 0.00 33.84 33.05 2pa6 n VAL 19 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 2pa6 s ILE 20 N -1.99 2.68 0.25 1.34 -4.36 -1.26 -0.57 121.20 117.29 2pa6 s ILE 20 Ca 0.02 -1.68 -0.00 0.00 -0.26 0.00 0.00 60.65 58.73 2pa6 s ILE 20 Cb 0.00 -2.25 0.05 0.00 1.25 0.00 0.00 42.46 41.51 2pa6 s ILE 20 CO 0.02 0.03 0.34 -0.90 0.24 0.00 0.00 174.94 174.66 2pa6 n ASP 21 N 0.61 0.44 0.00 4.36 5.68 0.17 -4.86 116.55 122.95 2pa6 n ASP 21 Ca -0.15 -1.37 0.02 0.00 -0.50 0.00 0.00 54.79 52.79 2pa6 n ASP 21 Cb 0.54 -0.22 0.12 0.00 -1.14 0.00 0.00 41.12 40.41 2pa6 n ASP 21 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2pa6 n SER 22 N -2.98 0.00 -0.41 -1.12 3.41 0.15 -1.25 113.62 111.43 2pa6 n SER 22 Ca 0.06 0.37 0.04 0.00 -0.26 0.00 0.00 58.87 59.07 2pa6 n SER 22 Cb 0.20 -0.40 0.08 0.00 -0.26 0.00 0.00 64.21 63.83 2pa6 n SER 22 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2pa6 n ARG 23 N -1.40 1.99 -0.73 4.33 1.74 -1.26 -4.96 116.66 116.37 2pa6 n ARG 23 Ca 0.02 -1.59 0.00 0.00 -0.77 0.00 0.00 57.85 55.51 2pa6 n ARG 23 Cb 0.05 -1.18 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 2pa6 n ARG 23 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pa6 n GLY 24 N 0.29 0.70 3.87 -0.13 0.00 -0.38 -5.05 105.19 104.49 2pa6 n GLY 24 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 2pa6 n GLY 24 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pa6 s ASN 25 N -2.29 6.60 0.66 1.61 0.01 -1.26 -4.73 114.94 115.54 2pa6 s ASN 25 Ca 0.00 0.73 -0.18 0.00 -0.71 0.00 0.00 52.86 52.71 2pa6 s ASN 25 Cb 0.00 -2.15 -0.00 0.00 0.41 0.00 0.00 41.25 39.50 2pa6 s ASN 25 CO 0.00 0.18 1.28 -2.84 -1.51 0.00 0.00 177.10 174.21 2pa6 s PRO 26 N -1.94 2.50 0.26 -0.60 0.02 -1.26 0.44 135.00 134.41 2pa6 s PRO 26 Ca 0.33 2.02 -0.18 0.00 0.02 0.00 0.00 61.00 63.19 2pa6 s PRO 26 Cb -0.14 -1.84 0.01 0.00 0.02 0.00 0.00 34.50 32.55 2pa6 s PRO 26 CO 0.18 -1.63 0.61 -0.08 -0.33 0.00 0.00 177.00 175.75 2pa6 s THR 27 N -1.48 0.00 -0.13 0.99 -1.32 0.27 -4.72 115.64 109.24 2pa6 s THR 27 Ca 0.81 -1.12 -0.12 0.00 -1.21 0.00 0.00 61.69 60.05 2pa6 s THR 27 Cb -0.36 -2.02 -0.05 0.00 -1.51 0.00 0.00 72.50 68.56 2pa6 s THR 27 CO 0.40 -0.01 0.26 -0.69 -2.21 0.00 0.00 174.62 172.37 2pa6 s VAL 28 N -3.95 5.32 -0.04 5.08 1.01 -1.26 -1.50 120.40 125.06 2pa6 s VAL 28 Ca 0.15 0.47 0.06 0.00 0.00 0.00 0.00 61.98 62.66 2pa6 s VAL 28 Cb -0.03 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 2pa6 s VAL 28 CO 0.07 0.48 -0.22 -0.70 0.00 0.00 0.00 175.10 174.72 2pa6 s GLU 29 N -0.11 2.02 -0.01 2.72 2.12 -0.70 -1.92 118.70 122.82 2pa6 s GLU 29 Ca 0.16 -0.78 0.04 0.00 0.36 0.00 0.00 54.97 54.75 2pa6 s GLU 29 Cb -0.13 -1.82 -0.01 0.00 0.26 0.00 0.00 34.13 32.43 2pa6 s GLU 29 CO 0.05 0.39 -0.12 0.08 -0.54 0.00 0.00 175.26 175.11 2pa6 s VAL 30 N -0.26 0.92 -0.05 3.70 1.01 -0.11 -0.90 120.40 124.71 2pa6 s VAL 30 Ca 0.02 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.54 2pa6 s VAL 30 Cb -0.11 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 2pa6 s VAL 30 CO 0.01 0.26 -0.15 -1.61 0.00 0.00 0.00 175.10 173.62 2pa6 s GLU 31 N -0.25 2.51 -0.01 2.72 2.02 0.61 -1.21 118.70 125.10 2pa6 s GLU 31 Ca 0.04 -0.71 0.02 0.00 0.02 0.00 0.00 54.97 54.34 2pa6 s GLU 31 Cb -0.05 -2.37 -0.00 0.00 0.10 0.00 0.00 34.13 31.81 2pa6 s GLU 31 CO -0.00 0.61 -0.06 0.08 0.02 0.00 0.00 175.26 175.91 2pa6 s VAL 32 N -0.70 0.49 -0.01 2.63 1.01 0.97 -1.54 120.40 123.26 2pa6 s VAL 32 Ca 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.84 2pa6 s VAL 32 Cb -0.11 -0.42 0.00 0.00 0.00 0.00 0.00 36.38 35.86 2pa6 s VAL 32 CO 0.01 0.14 -0.01 -0.51 0.00 0.00 0.00 175.10 174.73 2pa6 s ILE 33 N -0.05 0.12 0.51 2.22 2.07 -0.85 -0.53 121.20 124.69 2pa6 s ILE 33 Ca 0.01 -0.03 0.03 0.00 -1.41 0.00 0.00 60.65 59.25 2pa6 s ILE 33 Cb -0.04 -0.13 0.03 0.00 0.13 0.00 0.00 42.46 42.46 2pa6 s ILE 33 CO -0.00 0.05 0.72 0.42 -1.91 0.00 0.00 174.94 174.22 2pa6 s THR 34 N 0.14 2.78 0.45 4.00 -4.23 -0.35 -0.20 115.64 118.23 2pa6 s THR 34 Ca -0.01 -0.75 0.19 0.00 -1.18 0.00 0.00 61.69 59.94 2pa6 s THR 34 Cb -0.03 -3.01 0.23 0.00 1.34 0.00 0.00 72.50 71.03 2pa6 s THR 34 CO -0.00 -0.01 2.04 0.11 -0.54 0.00 0.00 174.62 176.22 2pa6 h LYS 35 N 0.22 0.00 -0.26 3.99 1.57 -0.83 -0.49 116.57 120.77 2pa6 h LYS 35 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2pa6 h LYS 35 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2pa6 h LYS 35 CO 0.50 0.15 0.00 0.41 -0.57 0.00 0.00 179.45 179.94 2pa6 n GLY 36 N -0.97 -0.07 2.29 3.86 0.00 -0.06 -4.87 105.19 105.36 2pa6 n GLY 36 Ca -0.02 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 2pa6 n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pa6 n ASN 37 N -0.12 -4.11 -4.67 1.61 3.02 -0.19 -4.96 115.26 105.83 2pa6 n ASN 37 Ca 0.04 0.19 -0.43 0.00 -0.03 0.00 0.00 54.58 54.36 2pa6 n ASN 37 Cb 0.15 -2.79 -0.02 0.00 -0.61 0.00 0.00 39.78 36.50 2pa6 n ASN 37 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2pa6 s GLY 38 N -2.78 2.00 -0.09 7.41 0.00 -1.26 -4.82 107.32 107.79 2pa6 s GLY 38 Ca 0.00 0.23 -0.01 0.00 0.00 0.00 0.00 44.72 44.94 2pa6 s GLY 38 CO 0.00 2.02 -0.02 -0.47 0.00 0.00 0.00 173.10 174.63 2pa6 s TYR 39 N 2.62 3.08 -0.00 1.90 5.04 -1.26 -1.21 117.35 127.51 2pa6 s TYR 39 Ca 0.45 0.09 -0.01 0.00 -2.44 0.00 0.00 57.07 55.16 2pa6 s TYR 39 Cb -0.16 -1.78 -0.00 0.00 0.35 0.00 0.00 41.96 40.36 2pa6 s TYR 39 CO 0.11 0.38 0.02 0.20 -1.34 0.00 0.00 175.55 174.92 2pa6 s GLY 40 N -0.73 0.02 -0.04 8.97 0.00 0.31 -4.21 107.32 111.63 2pa6 s GLY 40 Ca 0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 44.72 44.77 2pa6 s GLY 40 CO 0.02 -0.05 0.11 -0.45 0.00 0.00 0.00 173.10 172.73 2pa6 s SER 41 N -0.23 -0.10 0.00 1.64 0.15 -1.26 -0.02 113.70 113.88 2pa6 s SER 41 Ca -0.03 0.22 -0.08 0.00 0.70 0.00 0.00 55.95 56.77 2pa6 s SER 41 Cb -0.02 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 2pa6 s SER 41 CO -0.00 -0.07 0.16 0.00 1.20 0.00 0.00 173.24 174.53 2pa6 s ALA 42 N 0.38 -0.38 -0.04 5.45 0.00 -0.35 -4.83 121.76 122.00 2pa6 s ALA 42 Ca -0.03 -0.08 0.04 0.00 0.00 0.00 0.00 51.96 51.89 2pa6 s ALA 42 Cb -0.04 0.11 -0.00 0.00 0.00 0.00 0.00 23.12 23.18 2pa6 s ALA 42 CO -0.01 -0.21 -0.17 0.42 0.00 0.00 0.00 175.76 175.79 2pa6 s ILE 43 N -1.37 1.38 0.12 0.00 1.01 -1.26 -0.94 121.20 120.14 2pa6 s ILE 43 Ca -0.15 -0.69 -0.05 0.00 0.00 0.00 0.00 60.65 59.77 2pa6 s ILE 43 Cb -0.07 -1.18 -0.05 0.00 0.01 0.00 0.00 42.46 41.16 2pa6 s ILE 43 CO 0.02 0.40 0.35 0.68 0.00 0.00 0.00 174.94 176.39 2pa6 s VAL 44 N 0.00 5.20 0.88 2.92 -7.23 -0.81 -4.79 120.40 116.57 2pa6 s VAL 44 Ca -0.03 0.02 -0.13 0.00 -1.81 0.00 0.00 61.98 60.03 2pa6 s VAL 44 Cb -0.11 -3.62 0.15 0.00 0.56 0.00 0.00 36.38 33.36 2pa6 s VAL 44 CO 0.02 0.08 1.24 -2.16 -0.31 0.00 0.00 175.10 173.97 2pa6 s PRO 45 N -2.54 1.21 0.58 4.82 0.04 -1.26 -4.52 135.00 133.32 2pa6 s PRO 45 Ca 0.39 -0.28 -0.19 0.00 0.04 0.00 0.00 61.00 60.96 2pa6 s PRO 45 Cb -0.12 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2pa6 s PRO 45 CO 0.24 -2.03 1.22 -1.54 0.04 0.00 0.00 177.00 174.93 2pa6 s SER 46 N -4.76 5.23 0.00 6.66 1.04 0.33 -4.99 113.70 117.20 2pa6 s SER 46 Ca 0.69 2.42 0.00 0.00 0.48 0.00 0.00 55.95 59.54 2pa6 s SER 46 Cb -0.07 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.45 2pa6 s SER 46 CO 0.51 -1.57 0.00 0.61 0.98 0.00 0.00 173.24 173.77 2pa6 n GLY 47 N 0.53 5.38 2.90 7.32 0.00 -1.26 -4.75 105.19 115.31 2pa6 n GLY 47 Ca 0.13 -0.88 -0.16 0.00 0.00 0.00 0.00 46.02 45.11 2pa6 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pa6 s ALA 48 N -2.00 0.37 -1.64 4.61 0.00 -1.26 -5.01 121.76 116.83 2pa6 s ALA 48 Ca 0.00 -0.06 0.23 0.00 0.00 0.00 0.00 51.96 52.13 2pa6 s ALA 48 Cb 0.00 -0.19 0.11 0.00 0.00 0.00 0.00 23.12 23.04 2pa6 s ALA 48 CO 0.00 0.03 1.15 -1.13 0.00 0.00 0.00 175.76 175.81 2pa6 n SER 49 N 3.44 1.47 -3.96 0.00 3.41 -1.26 -0.45 113.62 116.28 2pa6 n SER 49 Ca -0.18 -1.17 -0.17 0.00 -0.26 0.00 0.00 58.87 57.08 2pa6 n SER 49 Cb 0.55 0.53 -0.15 0.00 -0.26 0.00 0.00 64.21 64.89 2pa6 n SER 49 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2pa6 s THR 50 N -2.66 0.46 0.00 6.66 -4.23 -1.26 -4.71 115.64 109.90 2pa6 s THR 50 Ca 0.16 -0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.44 2pa6 s THR 50 Cb 0.18 -0.40 0.00 0.00 1.34 0.00 0.00 72.50 73.61 2pa6 s THR 50 CO 0.65 0.14 0.00 0.61 -0.54 0.00 0.00 174.62 175.48 2pa6 n GLY 51 N 3.04 1.34 0.03 3.99 0.00 -1.26 -5.04 105.19 107.28 2pa6 n GLY 51 Ca -0.14 -0.94 0.01 0.00 0.00 0.00 0.00 46.02 44.95 2pa6 n GLY 51 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pa6 n THR 52 N -0.52 0.00 0.00 2.61 -2.24 -1.26 -4.81 114.28 108.06 2pa6 n THR 52 Ca 0.00 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 2pa6 n THR 52 Cb 0.00 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 2pa6 n THR 52 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2pa6 n HIS 53 N -0.50 0.00 -3.65 4.78 8.25 -1.26 -5.10 115.22 117.74 2pa6 n HIS 53 Ca 0.01 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.27 2pa6 n HIS 53 Cb 0.03 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.13 2pa6 n HIS 53 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 2pa6 s GLU 54 N -1.29 2.97 0.29 -0.41 -1.05 -1.26 -4.90 118.70 113.05 2pa6 s GLU 54 Ca 0.00 -1.11 -0.29 0.00 -0.15 0.00 0.00 54.97 53.41 2pa6 s GLU 54 Cb 0.00 -2.68 -0.10 0.00 -0.44 0.00 0.00 34.13 30.91 2pa6 s GLU 54 CO 0.00 0.10 1.34 0.00 0.95 0.00 0.00 175.26 177.65 2pa6 s ALA 55 N -2.22 3.53 -0.16 -0.84 0.00 -0.32 -4.86 121.76 116.90 2pa6 s ALA 55 Ca 0.43 1.25 -0.07 0.00 0.00 0.00 0.00 51.96 53.57 2pa6 s ALA 55 Cb -0.08 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 2pa6 s ALA 55 CO 0.29 -0.65 0.07 -0.51 0.00 0.00 0.00 175.76 174.96 2pa6 s LEU 56 N -1.17 3.91 0.59 0.00 1.43 -0.31 -4.70 118.68 118.44 2pa6 s LEU 56 Ca 0.53 0.17 -0.15 0.00 -1.03 0.00 0.00 54.13 53.65 2pa6 s LEU 56 Cb -0.40 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 2pa6 s LEU 56 CO 0.48 0.25 1.04 -1.61 0.23 0.00 0.00 176.35 176.74 2pa6 s GLU 57 N -0.07 3.40 -0.24 1.70 2.02 0.41 -0.90 118.70 125.02 2pa6 s GLU 57 Ca 0.07 1.11 -0.08 0.00 0.02 0.00 0.00 54.97 56.08 2pa6 s GLU 57 Cb -0.12 -2.05 -0.04 0.00 0.10 0.00 0.00 34.13 32.02 2pa6 s GLU 57 CO 0.01 -0.74 0.10 -1.17 0.02 0.00 0.00 175.26 173.48 2pa6 s LEU 58 N -4.58 3.70 0.08 1.80 2.96 -1.26 -4.34 118.68 117.04 2pa6 s LEU 58 Ca 0.62 -0.07 0.08 0.00 -0.22 0.00 0.00 54.13 54.53 2pa6 s LEU 58 Cb -0.14 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 2pa6 s LEU 58 CO 0.39 0.02 -0.16 -0.13 -1.32 0.00 0.00 176.35 175.14 2pa6 s ARG 59 N 1.31 1.99 0.29 1.98 1.81 -1.26 -4.66 118.95 120.41 2pa6 s ARG 59 Ca 0.06 -1.05 0.10 0.00 -1.72 0.00 0.00 55.73 53.12 2pa6 s ARG 59 Cb -0.15 -2.19 0.41 0.00 -0.45 0.00 0.00 34.95 32.57 2pa6 s ARG 59 CO 0.05 0.52 1.64 -0.44 -0.68 0.00 0.00 175.30 176.39 2pa6 h ASP 60 N 4.10 0.02 -5.76 0.23 3.32 -0.32 -3.48 116.42 114.53 2pa6 h ASP 60 Ca -0.49 -0.01 -0.42 0.00 0.02 0.00 0.00 57.03 56.13 2pa6 h ASP 60 Cb 1.16 -0.01 0.08 0.00 0.22 0.00 0.00 39.33 40.79 2pa6 h ASP 60 CO 0.48 0.59 -0.69 0.29 -1.72 0.00 0.00 179.24 178.20 2pa6 n LYS 61 N -3.86 -6.87 -3.51 3.56 5.02 -0.20 -4.99 118.16 107.31 2pa6 n LYS 61 Ca -0.01 0.78 -0.22 0.00 -2.02 0.00 0.00 58.31 56.83 2pa6 n LYS 61 Cb 0.58 -5.76 0.01 0.00 -0.02 0.00 0.00 35.03 29.84 2pa6 n LYS 61 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2pa6 s GLU 62 N -6.30 2.38 0.17 1.97 2.02 -1.26 -4.89 118.70 112.79 2pa6 s GLU 62 Ca 0.57 -1.74 -0.15 0.00 0.02 0.00 0.00 54.97 53.67 2pa6 s GLU 62 Cb -0.26 -2.37 0.05 0.00 0.10 0.00 0.00 34.13 31.65 2pa6 s GLU 62 CO 0.70 -0.55 1.81 -0.22 0.02 0.00 0.00 175.26 177.02 2pa6 h LYS 63 N 0.66 0.66 -7.08 1.61 3.64 -1.96 -1.34 116.57 112.78 2pa6 h LYS 63 Ca -0.36 -0.05 -0.56 0.00 -1.27 0.00 0.00 60.65 58.41 2pa6 h LYS 63 Cb 1.29 -0.14 0.15 0.00 -0.41 0.00 0.00 32.23 33.11 2pa6 h LYS 63 CO 0.52 0.46 0.58 -0.98 -2.27 0.00 0.00 179.45 177.76 2pa6 s ARG 64 N -6.07 2.86 -1.17 1.90 1.70 -1.26 -2.97 118.95 113.95 2pa6 s ARG 64 Ca -0.13 2.19 -0.03 0.00 -0.47 0.00 0.00 55.73 57.28 2pa6 s ARG 64 Cb 0.12 -2.07 0.02 0.00 -0.57 0.00 0.00 34.95 32.45 2pa6 s ARG 64 CO 0.74 -1.39 0.21 1.19 -1.08 0.00 0.00 175.30 174.97 2pa6 n PHE 65 N -1.43 -1.59 -2.44 5.89 3.72 -1.26 -1.37 117.46 118.99 2pa6 n PHE 65 Ca 0.13 0.20 -0.20 0.00 -0.05 0.00 0.00 57.45 57.53 2pa6 n PHE 65 Cb 0.46 -2.97 -0.01 0.00 -0.94 0.00 0.00 39.48 36.02 2pa6 n PHE 65 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pa6 n GLY 66 N -0.99 -0.50 2.37 1.37 0.00 -1.16 -1.34 105.19 104.95 2pa6 n GLY 66 Ca -0.10 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2pa6 n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pa6 n GLY 67 N -1.02 0.72 1.62 -0.02 0.00 -0.47 -4.91 105.19 101.10 2pa6 n GLY 67 Ca -0.23 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.88 2pa6 n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pa6 n LYS 68 N -2.56 3.83 -1.20 1.61 5.02 -0.45 -1.03 118.16 123.38 2pa6 n LYS 68 Ca 0.00 -2.85 -0.33 0.00 -2.02 0.00 0.00 58.31 53.11 2pa6 n LYS 68 Cb 0.00 -1.94 0.11 0.00 -0.02 0.00 0.00 35.03 33.19 2pa6 n LYS 68 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2pa6 s GLY 69 N -0.87 2.03 -0.13 0.72 0.00 -1.26 -4.28 107.32 103.54 2pa6 s GLY 69 Ca 0.51 0.68 0.17 0.00 0.00 0.00 0.00 44.72 46.08 2pa6 s GLY 69 CO 0.23 1.08 1.20 3.33 0.00 0.00 0.00 173.10 178.94 2pa6 n VAL 70 N -3.29 1.28 0.16 1.40 0.24 -1.26 0.26 118.33 117.12 2pa6 n VAL 70 Ca 0.12 -2.33 0.04 0.00 -2.04 0.00 0.00 64.34 60.13 2pa6 n VAL 70 Cb 0.51 0.28 0.45 0.00 -1.47 0.00 0.00 33.84 33.62 2pa6 n VAL 70 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2pa6 h LEU 71 N 1.06 0.13 -0.19 1.34 3.38 -1.93 -0.85 115.31 118.26 2pa6 h LEU 71 Ca -0.09 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 2pa6 h LEU 71 Cb 1.39 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.10 2pa6 h LEU 71 CO 0.06 0.27 -0.11 0.24 0.09 0.00 0.00 178.44 179.00 2pa6 h MET 72 N 0.14 0.40 -0.87 1.13 2.86 -1.92 0.21 114.93 116.88 2pa6 h MET 72 Ca 0.03 -0.18 0.01 0.00 -2.06 0.00 0.00 59.70 57.49 2pa6 h MET 72 Cb 0.31 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.91 2pa6 h MET 72 CO 0.02 0.72 0.57 0.00 1.06 0.00 0.00 176.91 179.27 2pa6 h ALA 73 N 0.68 1.11 -0.51 6.32 0.00 -1.72 0.21 119.26 125.33 2pa6 h ALA 73 Ca 0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2pa6 h ALA 73 Cb 0.60 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2pa6 h ALA 73 CO 0.03 0.53 0.23 0.28 0.00 0.00 0.00 179.25 180.32 2pa6 h VAL 74 N 1.19 1.20 -0.31 0.00 2.07 -1.00 -2.00 116.25 117.40 2pa6 h VAL 74 Ca 0.32 -0.60 -0.08 0.00 0.82 0.00 0.00 66.70 67.16 2pa6 h VAL 74 Cb -0.12 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 2pa6 h VAL 74 CO -0.07 0.23 -0.15 -0.08 0.02 0.00 0.00 177.57 177.52 2pa6 h GLU 75 N 0.69 0.54 -0.52 1.57 4.81 -0.27 -1.34 114.58 120.06 2pa6 h GLU 75 Ca 0.17 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2pa6 h GLU 75 Cb 0.15 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 2pa6 h GLU 75 CO -0.02 0.68 0.23 -0.91 -0.73 0.00 0.00 179.01 178.26 2pa6 h ASN 76 N 0.50 0.67 0.05 1.04 2.35 -0.06 0.32 115.58 120.44 2pa6 h ASN 76 Ca 0.09 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2pa6 h ASN 76 Cb 0.55 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.75 2pa6 h ASN 76 CO 0.04 0.59 -0.02 0.58 -1.65 0.00 0.00 177.43 176.96 2pa6 h VAL 77 N 0.74 1.31 -0.11 2.81 2.07 -0.84 0.11 116.25 122.34 2pa6 h VAL 77 Ca 0.18 -1.30 -0.10 0.00 0.82 0.00 0.00 66.70 66.30 2pa6 h VAL 77 Cb 0.12 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 2pa6 h VAL 77 CO -0.02 0.32 -0.38 0.78 0.02 0.00 0.00 177.57 178.29 2pa6 h ASN 78 N -0.65 0.23 0.00 0.57 2.35 -1.01 0.03 115.58 117.10 2pa6 h ASN 78 Ca -0.01 -0.09 -0.13 0.00 -0.55 0.00 0.00 56.30 55.53 2pa6 h ASN 78 Cb 0.57 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.86 2pa6 h ASN 78 CO 0.01 0.59 -1.66 -1.20 -1.65 0.00 0.00 177.43 173.52 2pa6 n SER 79 N -4.06 2.35 -0.09 5.81 7.64 0.11 -4.59 113.62 120.79 2pa6 n SER 79 Ca -0.01 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.69 2pa6 n SER 79 Cb 0.45 1.04 -0.06 0.00 -1.01 0.00 0.00 64.21 64.63 2pa6 n SER 79 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2pa6 n ILE 80 N -2.22 1.28 -0.03 0.44 2.08 -0.61 -4.63 119.36 115.67 2pa6 n ILE 80 Ca -0.12 -0.13 -0.13 0.00 0.56 0.00 0.00 62.75 62.92 2pa6 n ILE 80 Cb 0.65 -1.93 -0.10 0.00 -0.75 0.00 0.00 39.64 37.51 2pa6 n ILE 80 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 2pa6 h ILE 81 N -0.78 1.46 -0.70 1.39 2.04 -0.85 -3.36 117.51 116.70 2pa6 h ILE 81 Ca -0.37 -1.43 0.09 0.00 1.00 0.00 0.00 64.86 64.15 2pa6 h ILE 81 Cb 1.25 2.37 -0.11 0.00 -0.74 0.00 0.00 36.82 39.58 2pa6 h ILE 81 CO -0.22 0.38 -0.50 -0.09 0.00 0.00 0.00 178.15 177.72 2pa6 h ARG 82 N -0.49 -0.17 0.00 2.37 2.43 -1.21 -0.49 114.38 116.82 2pa6 h ARG 82 Ca -0.00 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2pa6 h ARG 82 Cb 0.65 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.24 2pa6 h ARG 82 CO 0.01 -0.12 -0.00 -1.00 -1.51 0.00 0.00 179.97 177.36 2pa6 h PRO 83 N -0.18 0.00 0.00 0.20 0.13 -1.82 -1.13 132.00 129.20 2pa6 h PRO 83 Ca 0.17 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 2pa6 h PRO 83 Cb 0.54 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.66 2pa6 h PRO 83 CO -0.77 0.00 -0.18 0.93 -0.23 0.00 0.00 178.00 177.75 2pa6 h GLU 84 N 0.00 0.00 -0.00 0.86 4.39 -1.23 -3.35 114.58 115.24 2pa6 h GLU 84 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2pa6 h GLU 84 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2pa6 h GLU 84 CO 0.00 0.04 -0.00 0.44 -1.16 0.00 0.00 179.01 178.33 2pa6 n ILE 85 N -3.05 0.00 -1.78 3.13 -5.35 -0.78 -4.94 119.36 106.59 2pa6 n ILE 85 Ca 0.03 -0.50 -0.42 0.00 -0.27 0.00 0.00 62.75 61.60 2pa6 n ILE 85 Cb 0.55 1.01 -0.02 0.00 -1.74 0.00 0.00 39.64 39.44 2pa6 n ILE 85 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2pa6 s LEU 86 N -0.17 4.36 0.00 7.28 1.43 -0.50 -1.23 118.68 129.85 2pa6 s LEU 86 Ca 0.01 2.87 0.00 0.00 -1.03 0.00 0.00 54.13 55.98 2pa6 s LEU 86 Cb 0.01 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.61 2pa6 s LEU 86 CO 0.01 -0.92 0.00 0.61 0.23 0.00 0.00 176.35 176.28 2pa6 n GLY 87 N 3.14 1.68 3.79 -3.19 0.00 0.75 -4.93 105.19 106.44 2pa6 n GLY 87 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 2pa6 n GLY 87 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2pa6 s TYR 88 N -2.85 2.95 -0.30 1.61 6.14 -0.37 -4.34 117.35 120.20 2pa6 s TYR 88 Ca 0.00 1.57 -0.28 0.00 0.64 0.00 0.00 57.07 59.00 2pa6 s TYR 88 Cb 0.00 -3.11 -0.02 0.00 0.42 0.00 0.00 41.96 39.24 2pa6 s TYR 88 CO 0.00 -0.96 1.82 0.34 0.64 0.00 0.00 175.55 177.39 2pa6 s ASP 89 N -1.91 5.92 0.65 4.32 -1.08 -1.26 -1.09 116.67 122.21 2pa6 s ASP 89 Ca 0.68 1.44 0.39 0.00 -0.52 0.00 0.00 52.55 54.53 2pa6 s ASP 89 Cb -0.18 -2.53 2.14 0.00 -1.46 0.00 0.00 42.92 40.89 2pa6 s ASP 89 CO 0.22 -1.66 2.25 0.00 0.52 0.00 0.00 175.17 176.49 2pa6 h ALA 90 N 12.79 1.21 0.00 3.66 0.00 -1.24 -1.28 119.26 134.39 2pa6 h ALA 90 Ca -0.35 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 2pa6 h ALA 90 Cb 1.18 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2pa6 h ALA 90 CO 1.02 -0.09 -0.12 0.00 0.00 0.00 0.00 179.25 180.05 2pa6 h ARG 91 N 0.00 0.00 -3.28 0.00 3.08 -1.89 -3.36 114.38 108.93 2pa6 h ARG 91 Ca 0.01 0.00 -0.71 0.00 0.07 0.00 0.00 59.98 59.35 2pa6 h ARG 91 Cb 0.18 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 2pa6 h ARG 91 CO -0.00 0.12 3.17 -1.33 -1.07 0.00 0.00 179.97 180.86 2pa6 n MET 92 N -3.25 3.61 0.06 0.04 2.81 -0.49 -4.76 117.12 115.14 2pa6 n MET 92 Ca 0.01 -2.71 -0.11 0.00 -1.81 0.00 0.00 57.70 53.08 2pa6 n MET 92 Cb 0.39 -2.93 -0.04 0.00 -0.71 0.00 0.00 33.22 29.93 2pa6 n MET 92 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 2pa6 h GLN 93 N 5.31 -0.31 -0.70 0.03 5.75 -1.83 -1.08 115.11 122.28 2pa6 h GLN 93 Ca 0.70 0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 59.21 2pa6 h GLN 93 Cb 0.43 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.02 2pa6 h GLN 93 CO 1.74 -0.20 0.42 0.00 -2.65 0.00 0.00 178.83 178.14 2pa6 h ARG 94 N -0.32 0.94 -0.43 1.69 3.08 -1.96 0.12 114.38 117.50 2pa6 h ARG 94 Ca 0.06 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 2pa6 h ARG 94 Cb 0.40 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 2pa6 h ARG 94 CO -0.19 0.66 0.03 0.93 -1.07 0.00 0.00 179.97 180.34 2pa6 h GLU 95 N 0.96 0.74 -0.47 0.04 3.07 -1.85 -0.77 114.58 116.31 2pa6 h GLU 95 Ca 0.25 -0.22 -0.10 0.00 -0.50 0.00 0.00 59.36 58.79 2pa6 h GLU 95 Cb -0.04 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.78 2pa6 h GLU 95 CO -0.05 0.79 -0.09 0.82 -1.40 0.00 0.00 179.01 179.08 2pa6 h ILE 96 N 0.59 1.27 -0.71 3.13 2.04 -0.77 -0.74 117.51 122.33 2pa6 h ILE 96 Ca 0.13 -1.21 -0.06 0.00 1.00 0.00 0.00 64.86 64.72 2pa6 h ILE 96 Cb 0.44 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 2pa6 h ILE 96 CO 0.02 0.42 0.22 0.44 0.00 0.00 0.00 178.15 179.25 2pa6 h ASP 97 N 0.74 1.01 -0.58 1.72 3.32 -0.89 -2.08 116.42 119.65 2pa6 h ASP 97 Ca 0.12 -0.18 -0.09 0.00 0.02 0.00 0.00 57.03 56.89 2pa6 h ASP 97 Cb 0.63 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2pa6 h ASP 97 CO 0.04 0.94 -0.00 0.74 -1.72 0.00 0.00 179.24 179.24 2pa6 h THR 98 N 1.05 1.27 -0.62 0.35 2.02 -0.92 -0.80 112.91 115.26 2pa6 h THR 98 Ca 0.23 -1.14 0.02 0.00 0.77 0.00 0.00 66.41 66.29 2pa6 h THR 98 Cb 0.29 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 2pa6 h THR 98 CO -0.01 0.41 0.39 0.40 0.37 0.00 0.00 175.52 177.08 2pa6 h ILE 99 N 0.92 1.10 -0.44 3.11 2.04 -0.79 -0.17 117.51 123.28 2pa6 h ILE 99 Ca 0.17 -0.27 -0.12 0.00 1.00 0.00 0.00 64.86 65.64 2pa6 h ILE 99 Cb 0.55 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 2pa6 h ILE 99 CO 0.03 0.14 -0.21 0.24 0.00 0.00 0.00 178.15 178.35 2pa6 h MET 100 N 0.77 0.89 -0.34 2.37 2.86 -1.13 0.04 114.93 120.39 2pa6 h MET 100 Ca 0.24 -0.36 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 2pa6 h MET 100 Cb -0.01 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 2pa6 h MET 100 CO -0.09 1.01 0.18 0.82 1.06 0.00 0.00 176.91 179.89 2pa6 h ILE 101 N 0.77 1.15 -0.04 -1.22 2.04 -0.65 -1.52 117.51 118.05 2pa6 h ILE 101 Ca 0.10 -0.41 -0.15 0.00 1.00 0.00 0.00 64.86 65.40 2pa6 h ILE 101 Cb 0.76 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 2pa6 h ILE 101 CO 0.06 0.15 -0.67 -0.33 0.00 0.00 0.00 178.15 177.36 2pa6 h GLU 102 N 0.42 0.16 -0.48 2.37 5.08 -0.95 -1.64 114.58 119.55 2pa6 h GLU 102 Ca 0.12 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 2pa6 h GLU 102 Cb 0.09 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2pa6 h GLU 102 CO -0.02 0.78 0.06 1.25 -1.00 0.00 0.00 179.01 180.08 2pa6 h LEU 103 N 0.11 0.78 -0.01 1.33 5.85 -0.83 -2.85 115.31 119.69 2pa6 h LEU 103 Ca -0.01 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.43 2pa6 h LEU 103 Cb 1.20 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 2pa6 h LEU 103 CO 0.10 0.85 0.00 -0.78 -0.34 0.00 0.00 178.44 178.27 2pa6 h ASP 104 N 0.67 0.02 0.00 1.25 1.82 -1.20 -3.47 116.42 115.51 2pa6 h ASP 104 Ca 0.14 -0.21 0.00 0.00 -0.39 0.00 0.00 57.03 56.58 2pa6 h ASP 104 Cb 0.42 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.42 2pa6 h ASP 104 CO 0.01 0.22 0.00 0.61 -1.61 0.00 0.00 179.24 178.47 2pa6 n GLY 105 N -0.54 2.05 3.81 -0.78 0.00 -0.63 -4.78 105.19 104.33 2pa6 n GLY 105 Ca -0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 2pa6 n GLY 105 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pa6 s THR 106 N -3.19 4.63 0.48 2.61 -4.23 -1.26 -5.01 115.64 109.66 2pa6 s THR 106 Ca 0.00 -0.94 0.34 0.00 -1.18 0.00 0.00 61.69 59.91 2pa6 s THR 106 Cb 0.00 -3.33 0.37 0.00 1.34 0.00 0.00 72.50 70.87 2pa6 s THR 106 CO 0.00 -0.04 2.19 -0.65 -0.54 0.00 0.00 174.62 175.57 2pa6 h PRO 107 N 2.61 0.00 0.00 3.99 0.11 -1.96 -3.10 132.00 133.66 2pa6 h PRO 107 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2pa6 h PRO 107 Cb 1.19 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 2pa6 h PRO 107 CO 0.65 0.05 -0.33 0.27 -0.21 0.00 0.00 178.00 178.42 2pa6 n ASN 108 N -3.43 1.82 -2.35 -2.05 6.94 -1.26 -4.94 115.26 109.99 2pa6 n ASN 108 Ca -0.02 -3.32 -0.11 0.00 -0.02 0.00 0.00 54.58 51.11 2pa6 n ASN 108 Cb 0.17 -0.45 -0.01 0.00 -2.36 0.00 0.00 39.78 37.13 2pa6 n ASN 108 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2pa6 n LYS 109 N -1.07 -2.21 0.00 -3.83 5.02 -1.17 -1.16 118.16 113.74 2pa6 n LYS 109 Ca 0.16 0.55 0.13 0.00 -2.02 0.00 0.00 58.31 57.12 2pa6 n LYS 109 Cb 0.70 -5.11 0.57 0.00 -0.02 0.00 0.00 35.03 31.18 2pa6 n LYS 109 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2pa6 n SER 110 N -1.65 0.00 -0.07 4.39 3.41 -1.26 -1.04 113.62 117.39 2pa6 n SER 110 Ca -0.13 0.38 -0.09 0.00 -0.26 0.00 0.00 58.87 58.76 2pa6 n SER 110 Cb 0.58 -0.45 -0.06 0.00 -0.26 0.00 0.00 64.21 64.02 2pa6 n SER 110 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2pa6 h ARG 111 N 0.00 0.00 0.00 4.33 2.43 -1.88 -3.39 114.38 115.87 2pa6 h ARG 111 Ca 0.00 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.98 2pa6 h ARG 111 Cb 0.40 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 2pa6 h ARG 111 CO 0.00 0.47 -1.25 -0.07 -1.51 0.00 0.00 179.97 177.61 2pa6 h LEU 112 N -1.00 0.00 0.00 3.80 3.38 -1.87 -3.50 115.31 116.12 2pa6 h LEU 112 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2pa6 h LEU 112 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2pa6 h LEU 112 CO -0.05 0.74 0.00 0.61 0.09 0.00 0.00 178.44 179.83 2pa6 n GLY 113 N 1.40 2.16 0.25 0.83 0.00 -0.21 -4.51 105.19 105.11 2pa6 n GLY 113 Ca -0.08 -1.35 0.09 0.00 0.00 0.00 0.00 46.02 44.69 2pa6 n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pa6 h ALA 114 N 0.00 1.58 -0.22 4.61 0.00 -0.75 -1.93 119.26 122.54 2pa6 h ALA 114 Ca 0.00 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 2pa6 h ALA 114 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2pa6 h ALA 114 CO 0.00 0.15 -0.49 -2.95 0.00 0.00 0.00 179.25 175.96 2pa6 h ASN 115 N 0.00 0.65 -0.08 0.00 -1.07 -1.89 -0.69 115.58 112.51 2pa6 h ASN 115 Ca -0.00 -0.33 -0.03 0.00 0.07 0.00 0.00 56.30 56.01 2pa6 h ASN 115 Cb 0.25 -0.19 -0.00 0.00 -2.07 0.00 0.00 38.32 36.32 2pa6 h ASN 115 CO 0.02 1.03 -0.07 0.00 0.07 0.00 0.00 177.43 178.48 2pa6 h ALA 116 N 0.99 0.11 -0.28 4.14 0.00 -1.62 -2.71 119.26 119.88 2pa6 h ALA 116 Ca 0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2pa6 h ALA 116 Cb 1.03 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2pa6 h ALA 116 CO 0.10 -0.08 0.12 0.82 0.00 0.00 0.00 179.25 180.21 2pa6 h ILE 117 N -0.24 1.17 -0.62 0.00 2.04 -1.36 -2.90 117.51 115.60 2pa6 h ILE 117 Ca 0.01 -0.50 -0.09 0.00 1.00 0.00 0.00 64.86 65.29 2pa6 h ILE 117 Cb 0.57 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 2pa6 h ILE 117 CO 0.02 0.17 0.05 0.25 0.00 0.00 0.00 178.15 178.64 2pa6 h LEU 118 N 0.31 1.01 -0.60 1.44 5.85 -0.80 -0.81 115.31 121.72 2pa6 h LEU 118 Ca 0.10 -0.26 0.05 0.00 0.84 0.00 0.00 57.88 58.60 2pa6 h LEU 118 Cb 0.16 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 2pa6 h LEU 118 CO -0.01 1.04 0.33 0.00 -0.34 0.00 0.00 178.44 179.46 2pa6 h ALA 119 N 1.07 0.78 -0.28 1.25 0.00 -1.42 0.13 119.26 120.80 2pa6 h ALA 119 Ca 0.18 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2pa6 h ALA 119 Cb 0.49 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2pa6 h ALA 119 CO 0.02 0.01 -0.07 0.28 0.00 0.00 0.00 179.25 179.49 2pa6 h VAL 120 N 0.63 1.28 -0.48 0.00 2.07 -1.35 -1.67 116.25 116.74 2pa6 h VAL 120 Ca 0.26 -1.11 0.08 0.00 0.82 0.00 0.00 66.70 66.75 2pa6 h VAL 120 Cb 0.13 1.44 -0.07 0.00 -1.52 0.00 0.00 31.29 31.27 2pa6 h VAL 120 CO -0.16 0.35 0.10 -1.28 0.02 0.00 0.00 177.57 176.60 2pa6 h SER 121 N 0.29 0.01 -0.18 0.57 0.87 -0.50 -0.41 113.55 114.20 2pa6 h SER 121 Ca 0.07 0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 60.64 2pa6 h SER 121 Cb 0.56 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2pa6 h SER 121 CO 0.03 0.03 -0.18 -0.07 -0.53 0.00 0.00 176.83 176.11 2pa6 h LEU 122 N 0.23 0.47 -1.18 2.23 3.38 -0.97 -2.96 115.31 116.52 2pa6 h LEU 122 Ca 0.24 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 2pa6 h LEU 122 Cb 0.31 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2pa6 h LEU 122 CO -0.31 0.86 0.32 0.00 0.09 0.00 0.00 178.44 179.39 2pa6 h ALA 123 N 0.63 1.37 -0.34 1.53 0.00 -1.03 -2.15 119.26 119.27 2pa6 h ALA 123 Ca 0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2pa6 h ALA 123 Cb 0.73 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2pa6 h ALA 123 CO 0.05 0.50 0.12 0.28 0.00 0.00 0.00 179.25 180.19 2pa6 h VAL 124 N 0.89 1.20 -0.65 0.00 2.07 -1.08 -1.24 116.25 117.43 2pa6 h VAL 124 Ca 0.22 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 67.12 2pa6 h VAL 124 Cb 0.07 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 2pa6 h VAL 124 CO -0.03 0.22 0.43 0.00 0.02 0.00 0.00 177.57 178.20 2pa6 h ALA 125 N 0.96 0.83 -0.72 1.67 0.00 -1.30 -0.54 119.26 120.15 2pa6 h ALA 125 Ca 0.11 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2pa6 h ALA 125 Cb 0.22 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2pa6 h ALA 125 CO -0.01 0.26 0.25 0.87 0.00 0.00 0.00 179.25 180.63 2pa6 h LYS 126 N 0.88 1.10 -0.50 0.00 1.57 -1.22 -0.94 116.57 117.47 2pa6 h LYS 126 Ca 0.24 -0.22 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 2pa6 h LYS 126 Cb -0.09 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.03 2pa6 h LYS 126 CO -0.05 0.93 -0.06 0.00 -0.57 0.00 0.00 179.45 179.70 2pa6 h ALA 127 N 1.12 0.95 -0.21 3.86 0.00 -0.82 -0.46 119.26 123.71 2pa6 h ALA 127 Ca 0.24 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2pa6 h ALA 127 Cb 0.27 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2pa6 h ALA 127 CO -0.01 0.62 0.03 0.00 0.00 0.00 0.00 179.25 179.89 2pa6 h ALA 128 N 1.12 0.28 -0.52 0.00 0.00 -0.79 -0.53 119.26 118.82 2pa6 h ALA 128 Ca 0.14 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2pa6 h ALA 128 Cb 0.57 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2pa6 h ALA 128 CO 0.03 -0.04 0.34 0.00 0.00 0.00 0.00 179.25 179.58 2pa6 h ALA 129 N 0.83 0.66 -0.60 0.00 0.00 -1.03 -0.91 119.26 118.22 2pa6 h ALA 129 Ca 0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2pa6 h ALA 129 Cb 0.32 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2pa6 h ALA 129 CO 0.00 0.08 0.28 0.00 0.00 0.00 0.00 179.25 179.61 2pa6 h ALA 130 N 1.20 1.37 -0.39 0.00 0.00 -0.92 0.93 119.26 121.45 2pa6 h ALA 130 Ca 0.19 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 2pa6 h ALA 130 Cb -0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2pa6 h ALA 130 CO -0.05 0.49 -0.37 1.15 0.00 0.00 0.00 179.25 180.47 2pa6 h THR 131 N 0.84 1.27 0.00 0.00 2.02 -0.52 -2.93 112.91 113.59 2pa6 h THR 131 Ca 0.21 -1.55 0.00 0.00 0.77 0.00 0.00 66.41 65.84 2pa6 h THR 131 Cb 0.10 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 2pa6 h THR 131 CO -0.03 0.52 0.00 0.00 0.37 0.00 0.00 175.52 176.38 2pa6 h ALA 132 N 0.80 1.00 -3.95 6.16 0.00 -0.74 -3.47 119.26 119.05 2pa6 h ALA 132 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.74 2pa6 h ALA 132 Cb 0.96 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.84 2pa6 h ALA 132 CO 0.09 0.00 -0.41 1.17 0.00 0.00 0.00 179.25 180.10 2pa6 n LYS 133 N -2.85 -4.79 -5.11 0.00 3.00 0.27 -5.03 118.16 103.65 2pa6 n LYS 133 Ca 0.03 0.50 -0.32 0.00 -0.00 0.00 0.00 58.31 58.52 2pa6 n LYS 133 Cb 0.43 -4.55 -0.16 0.00 0.00 0.00 0.00 35.03 30.75 2pa6 n LYS 133 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2pa6 s ILE 134 N -3.19 2.36 0.29 3.15 -1.09 -0.87 -5.05 121.20 116.79 2pa6 s ILE 134 Ca 0.33 -0.93 -0.29 0.00 -2.23 0.00 0.00 60.65 57.54 2pa6 s ILE 134 Cb -0.15 -1.91 -0.14 0.00 -1.58 0.00 0.00 42.46 38.68 2pa6 s ILE 134 CO 0.44 0.56 1.12 -2.65 -1.23 0.00 0.00 174.94 173.17 2pa6 n PRO 135 N 3.27 1.57 -0.25 2.79 -0.02 -1.26 -4.52 135.00 136.58 2pa6 n PRO 135 Ca -0.18 0.55 -0.01 0.00 -2.02 0.00 0.00 63.50 61.84 2pa6 n PRO 135 Cb 0.53 -2.00 0.06 0.00 -0.02 0.00 0.00 33.50 32.06 2pa6 n PRO 135 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2pa6 h LEU 136 N 2.38 -0.85 -1.66 2.45 5.85 -1.96 0.13 115.31 121.64 2pa6 h LEU 136 Ca -0.42 0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 2pa6 h LEU 136 Cb 1.32 0.50 -0.01 0.00 0.37 0.00 0.00 40.66 42.84 2pa6 h LEU 136 CO 0.63 -0.26 0.08 0.10 -0.34 0.00 0.00 178.44 178.64 2pa6 h TYR 137 N -0.05 0.29 -0.07 1.25 -0.00 -1.89 0.51 116.97 117.02 2pa6 h TYR 137 Ca 0.32 -0.00 -0.19 0.00 0.00 0.00 0.00 58.73 58.85 2pa6 h TYR 137 Cb 0.55 -0.09 -0.00 0.00 0.00 0.00 0.00 36.73 37.18 2pa6 h TYR 137 CO -0.62 0.25 -0.77 0.87 -0.00 0.00 0.00 178.16 177.89 2pa6 h LYS 138 N 0.30 0.43 -0.12 0.10 1.79 -1.06 -0.57 116.57 117.44 2pa6 h LYS 138 Ca 0.08 -0.37 -0.17 0.00 -2.18 0.00 0.00 60.65 58.01 2pa6 h LYS 138 Cb 0.08 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 2pa6 h LYS 138 CO -0.01 1.01 -0.64 -0.92 -1.08 0.00 0.00 179.45 177.82 2pa6 h TYR 139 N 0.28 0.58 -0.03 -1.35 3.20 -0.16 0.13 116.97 119.62 2pa6 h TYR 139 Ca -0.04 -0.23 -0.17 0.00 3.14 0.00 0.00 58.73 61.43 2pa6 h TYR 139 Cb 1.36 -0.10 0.01 0.00 1.54 0.00 0.00 36.73 39.54 2pa6 h TYR 139 CO 0.05 0.96 -0.63 -0.07 -1.64 0.00 0.00 178.16 176.83 2pa6 h LEU 140 N 0.33 0.60 -1.83 2.82 3.38 -0.88 -3.38 115.31 116.35 2pa6 h LEU 140 Ca -0.01 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.23 2pa6 h LEU 140 Cb 1.19 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2pa6 h LEU 140 CO 0.11 1.24 0.00 0.61 0.09 0.00 0.00 178.44 180.50 2pa6 n GLY 141 N 0.97 0.49 0.00 0.83 0.00 -0.23 -4.97 105.19 102.28 2pa6 n GLY 141 Ca -0.10 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2pa6 n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pa6 n GLY 142 N 0.53 -0.18 0.29 -0.02 0.00 0.44 -4.53 105.19 101.71 2pa6 n GLY 142 Ca 0.07 -1.87 0.06 0.00 0.00 0.00 0.00 46.02 44.28 2pa6 n GLY 142 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2pa6 h PHE 143 N 0.00 0.29 -0.49 1.61 -5.15 -1.94 -3.21 116.94 108.05 2pa6 h PHE 143 Ca 0.00 0.01 -0.32 0.00 -0.20 0.00 0.00 57.97 57.46 2pa6 h PHE 143 Cb 0.00 -0.10 -0.12 0.00 0.22 0.00 0.00 35.95 35.96 2pa6 h PHE 143 CO 0.00 0.18 0.04 -1.71 -2.00 0.00 0.00 178.31 174.82 2pa6 n ASN 144 N -4.50 5.87 -4.19 -0.68 5.15 -1.26 -4.79 115.26 110.87 2pa6 n ASN 144 Ca 0.01 -2.83 -0.36 0.00 -0.60 0.00 0.00 54.58 50.80 2pa6 n ASN 144 Cb 0.09 -1.29 -0.13 0.00 -0.53 0.00 0.00 39.78 37.93 2pa6 n ASN 144 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2pa6 s SER 145 N 1.15 5.11 0.00 1.20 0.01 -1.21 -4.86 113.70 115.09 2pa6 s SER 145 Ca 0.56 -1.42 0.00 0.00 1.31 0.00 0.00 55.95 56.39 2pa6 s SER 145 Cb 0.32 -1.79 0.00 0.00 0.21 0.00 0.00 66.02 64.76 2pa6 s SER 145 CO -0.09 -0.35 0.01 0.00 0.41 0.00 0.00 173.24 173.22 2pa6 n TYR 146 N 4.67 0.00 -3.13 2.43 4.11 -1.26 -4.88 117.16 119.10 2pa6 n TYR 146 Ca -0.10 0.00 -0.41 0.00 -0.00 0.00 0.00 57.90 57.39 2pa6 n TYR 146 Cb 0.43 0.04 -0.07 0.00 -0.00 0.00 0.00 39.34 39.75 2pa6 n TYR 146 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 2pa6 s VAL 147 N 0.00 4.99 0.04 -3.48 1.01 -1.26 -1.52 120.40 120.17 2pa6 s VAL 147 Ca 0.00 1.04 -0.26 0.00 0.00 0.00 0.00 61.98 62.76 2pa6 s VAL 147 Cb 0.00 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 2pa6 s VAL 147 CO 0.00 0.01 0.81 -0.04 0.00 0.00 0.00 175.10 175.88 2pa6 s MET 148 N 2.49 4.53 0.48 2.72 -1.94 0.11 -4.44 119.30 123.24 2pa6 s MET 148 Ca 0.25 1.14 -0.20 0.00 -1.71 0.00 0.00 55.69 55.17 2pa6 s MET 148 Cb -0.15 -3.39 -0.09 0.00 2.01 0.00 0.00 34.83 33.21 2pa6 s MET 148 CO 0.09 0.21 1.00 -1.25 -0.01 0.00 0.00 175.02 175.07 2pa6 s PRO 149 N 0.16 3.93 -0.09 2.03 0.04 -1.26 -1.61 135.00 138.20 2pa6 s PRO 149 Ca 0.41 1.24 -0.27 0.00 0.04 0.00 0.00 61.00 62.42 2pa6 s PRO 149 Cb -0.21 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 2pa6 s PRO 149 CO 0.24 -0.30 0.86 0.08 0.04 0.00 0.00 177.00 177.91 2pa6 s VAL 150 N -2.13 4.91 0.06 -0.36 1.01 0.24 -4.79 120.40 119.34 2pa6 s VAL 150 Ca 0.65 1.74 -0.24 0.00 0.00 0.00 0.00 61.98 64.13 2pa6 s VAL 150 Cb -0.13 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.01 2pa6 s VAL 150 CO 0.19 0.12 0.72 -2.16 0.00 0.00 0.00 175.10 173.97 2pa6 s PRO 151 N 1.49 4.46 -0.42 2.72 0.04 -1.26 -1.73 135.00 140.30 2pa6 s PRO 151 Ca 0.43 1.00 -0.15 0.00 0.04 0.00 0.00 61.00 62.32 2pa6 s PRO 151 Cb -0.18 -3.33 0.02 0.00 0.04 0.00 0.00 34.50 31.05 2pa6 s PRO 151 CO 0.18 0.39 0.31 -1.64 0.04 0.00 0.00 177.00 176.28 2pa6 s MET 152 N -0.39 2.98 -0.34 4.56 -1.94 0.15 -4.20 119.30 120.12 2pa6 s MET 152 Ca 0.36 -1.04 -0.12 0.00 -1.71 0.00 0.00 55.69 53.18 2pa6 s MET 152 Cb -0.21 -3.99 -0.01 0.00 2.01 0.00 0.00 34.83 32.64 2pa6 s MET 152 CO 0.22 -0.78 0.21 -1.64 -0.01 0.00 0.00 175.02 173.03 2pa6 s MET 153 N 1.70 3.34 -0.98 2.03 -1.94 -0.53 -4.04 119.30 118.88 2pa6 s MET 153 Ca 0.05 -0.74 -0.24 0.00 -1.71 0.00 0.00 55.69 53.06 2pa6 s MET 153 Cb -0.19 -3.73 0.01 0.00 2.01 0.00 0.00 34.83 32.92 2pa6 s MET 153 CO 0.10 -0.48 1.66 1.21 -0.01 0.00 0.00 175.02 177.49 2pa6 s ASN 154 N 1.67 5.94 0.03 3.03 2.47 -1.26 -1.69 114.94 125.14 2pa6 s ASN 154 Ca 0.05 -1.15 0.22 0.00 0.42 0.00 0.00 52.86 52.41 2pa6 s ASN 154 Cb -0.18 -2.57 -0.14 0.00 -1.45 0.00 0.00 41.25 36.92 2pa6 s ASN 154 CO 0.09 -2.02 0.82 1.33 -3.72 0.00 0.00 177.10 173.60 2pa6 n VAL 155 N 7.29 0.14 -3.87 -5.21 0.24 -0.97 -3.57 118.33 112.38 2pa6 n VAL 155 Ca 0.36 -0.33 -0.26 0.00 -2.04 0.00 0.00 64.34 62.06 2pa6 n VAL 155 Cb 0.49 0.19 -0.17 0.00 -1.47 0.00 0.00 33.84 32.88 2pa6 n VAL 155 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2pa6 s ILE 156 N -3.30 0.89 0.13 1.34 1.01 -1.08 -0.80 121.20 119.38 2pa6 s ILE 156 Ca -0.00 -0.31 -0.07 0.00 0.00 0.00 0.00 60.65 60.27 2pa6 s ILE 156 Cb 0.14 -1.01 -0.06 0.00 0.01 0.00 0.00 42.46 41.55 2pa6 s ILE 156 CO 0.85 0.25 0.39 0.20 0.00 0.00 0.00 174.94 176.63 2pa6 s ASN 157 N 1.75 6.54 0.13 3.58 0.02 0.25 -1.50 114.94 125.71 2pa6 s ASN 157 Ca 0.04 0.67 0.03 0.00 -1.02 0.00 0.00 52.86 52.57 2pa6 s ASN 157 Cb -0.13 -2.12 -0.01 0.00 0.02 0.00 0.00 41.25 39.00 2pa6 s ASN 157 CO -0.07 0.08 0.12 0.61 0.02 0.00 0.00 177.10 177.86 2pa6 n GLY 158 N 0.33 3.51 0.00 0.66 0.00 -0.01 -4.72 105.19 104.97 2pa6 n GLY 158 Ca -0.04 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.25 2pa6 n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pa6 n GLY 159 N -0.25 1.92 0.22 -0.02 0.00 0.55 -4.15 105.19 103.46 2pa6 n GLY 159 Ca 0.03 -1.97 0.15 0.00 0.00 0.00 0.00 46.02 44.23 2pa6 n GLY 159 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pa6 h LYS 160 N 0.00 0.00 -0.05 1.61 1.57 -1.88 -2.31 116.57 115.52 2pa6 h LYS 160 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2pa6 h LYS 160 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2pa6 h LYS 160 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.60 2pa6 n HIS 161 N -2.52 0.05 0.05 -1.35 8.25 -1.26 -4.61 115.22 113.83 2pa6 n HIS 161 Ca -0.02 -0.07 -0.05 0.00 -0.26 0.00 0.00 57.72 57.32 2pa6 n HIS 161 Cb 0.06 -0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.31 2pa6 n HIS 161 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pa6 h ALA 162 N 1.71 0.92 0.00 -1.41 0.00 -1.57 -3.47 119.26 115.44 2pa6 h ALA 162 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2pa6 h ALA 162 Cb 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2pa6 h ALA 162 CO 0.00 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.31 2pa6 n GLY 163 N 0.01 1.63 0.00 0.00 0.00 -1.26 -4.81 105.19 100.77 2pa6 n GLY 163 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2pa6 n GLY 163 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2pa6 n ASN 164 N 0.00 0.33 -1.26 1.61 0.23 -1.26 -5.03 115.26 109.88 2pa6 n ASN 164 Ca 0.00 -0.43 0.08 0.00 -0.53 0.00 0.00 54.58 53.70 2pa6 n ASN 164 Cb 0.00 0.00 0.30 0.00 -2.08 0.00 0.00 39.78 38.00 2pa6 n ASN 164 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2pa6 n ASP 165 N -1.14 4.37 -4.73 0.53 8.00 -0.86 -4.84 116.55 117.88 2pa6 n ASP 165 Ca 0.00 -2.67 -0.41 0.00 0.71 0.00 0.00 54.79 52.42 2pa6 n ASP 165 Cb 0.00 -0.53 -0.03 0.00 -0.02 0.00 0.00 41.12 40.53 2pa6 n ASP 165 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2pa6 s LEU 166 N -2.22 4.43 -0.00 0.64 1.43 -1.20 -4.63 118.68 117.12 2pa6 s LEU 166 Ca 0.44 2.09 -0.18 0.00 -1.03 0.00 0.00 54.13 55.46 2pa6 s LEU 166 Cb 0.32 -3.59 -0.34 0.00 0.03 0.00 0.00 46.19 42.60 2pa6 s LEU 166 CO 0.16 -0.36 0.93 0.44 0.23 0.00 0.00 176.35 177.75 2pa6 h ASP 167 N 5.85 0.70 -3.96 2.29 3.32 -1.92 0.16 116.42 122.85 2pa6 h ASP 167 Ca -0.43 -0.93 -0.50 0.00 0.02 0.00 0.00 57.03 55.19 2pa6 h ASP 167 Cb 1.21 -0.23 0.04 0.00 0.22 0.00 0.00 39.33 40.58 2pa6 h ASP 167 CO 0.77 1.61 0.46 -0.76 -1.72 0.00 0.00 179.24 179.59 2pa6 s LEU 168 N -7.68 4.13 -0.05 1.55 1.43 -1.26 -4.01 118.68 112.77 2pa6 s LEU 168 Ca -0.11 2.22 -0.24 0.00 -1.03 0.00 0.00 54.13 54.97 2pa6 s LEU 168 Cb 0.03 -4.14 -0.24 0.00 0.03 0.00 0.00 46.19 41.87 2pa6 s LEU 168 CO 0.90 -0.67 1.01 -0.61 0.23 0.00 0.00 176.35 177.20 2pa6 h GLN 169 N 2.43 0.19 -4.31 1.70 4.15 -1.43 -2.98 115.11 114.87 2pa6 h GLN 169 Ca -0.49 -0.22 -0.43 0.00 0.77 0.00 0.00 58.65 58.28 2pa6 h GLN 169 Cb 1.23 0.07 -0.33 0.00 0.21 0.00 0.00 27.48 28.66 2pa6 h GLN 169 CO 0.62 0.97 -0.78 -1.21 -1.93 0.00 0.00 178.83 176.49 2pa6 s GLU 170 N -3.02 1.00 -0.31 1.69 2.02 -0.29 -0.83 118.70 118.97 2pa6 s GLU 170 Ca -0.16 -0.23 -0.01 0.00 0.02 0.00 0.00 54.97 54.60 2pa6 s GLU 170 Cb 0.01 -0.93 0.06 0.00 0.10 0.00 0.00 34.13 33.37 2pa6 s GLU 170 CO 0.75 0.01 0.02 -0.06 0.02 0.00 0.00 175.26 176.00 2pa6 s PHE 171 N 0.59 3.35 0.16 1.61 0.40 -0.57 -1.33 117.98 122.18 2pa6 s PHE 171 Ca -0.09 -2.09 0.08 0.00 -0.60 0.00 0.00 56.93 54.23 2pa6 s PHE 171 Cb -0.12 -2.30 -0.04 0.00 0.51 0.00 0.00 43.02 41.07 2pa6 s PHE 171 CO 0.01 -0.85 -0.06 -1.64 0.70 0.00 0.00 175.22 173.39 2pa6 s MET 172 N 1.19 2.22 -0.06 0.44 -1.94 0.13 -2.30 119.30 118.98 2pa6 s MET 172 Ca -0.03 -1.14 0.01 0.00 -1.71 0.00 0.00 55.69 52.82 2pa6 s MET 172 Cb -0.20 -2.28 -0.03 0.00 2.01 0.00 0.00 34.83 34.33 2pa6 s MET 172 CO -0.03 0.46 -0.07 0.96 -0.01 0.00 0.00 175.02 176.34 2pa6 s ILE 173 N -1.61 3.69 -0.23 2.53 -4.36 -0.68 -1.39 121.20 119.15 2pa6 s ILE 173 Ca 0.25 -0.50 0.01 0.00 -0.26 0.00 0.00 60.65 60.15 2pa6 s ILE 173 Cb -0.09 -2.51 0.06 0.00 1.25 0.00 0.00 42.46 41.16 2pa6 s ILE 173 CO 0.16 0.59 -0.05 -0.04 0.24 0.00 0.00 174.94 175.84 2pa6 s MET 174 N -0.84 1.61 -1.35 0.37 -1.94 0.69 -1.45 119.30 116.39 2pa6 s MET 174 Ca 0.13 -0.98 -0.10 0.00 -1.71 0.00 0.00 55.69 53.04 2pa6 s MET 174 Cb -0.11 -2.58 -0.07 0.00 2.01 0.00 0.00 34.83 34.09 2pa6 s MET 174 CO 0.02 -0.60 2.58 -0.35 -0.01 0.00 0.00 175.02 176.66 2pa6 n PRO 175 N 4.68 3.02 0.31 2.03 -0.04 -1.26 -1.17 135.00 142.57 2pa6 n PRO 175 Ca -0.12 -1.99 0.18 0.00 -0.04 0.00 0.00 63.50 61.54 2pa6 n PRO 175 Cb 0.44 -2.74 0.99 0.00 -0.04 0.00 0.00 33.50 32.15 2pa6 n PRO 175 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2pa6 h VAL 176 N 3.30 0.26 -0.00 0.52 -1.51 -1.72 -2.23 116.25 114.86 2pa6 h VAL 176 Ca 0.71 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 66.03 2pa6 h VAL 176 Cb 0.29 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.57 2pa6 h VAL 176 CO 1.70 0.02 -0.09 0.61 -1.23 0.00 0.00 177.57 178.58 2pa6 n GLY 177 N -0.97 -0.91 3.76 5.19 0.00 0.10 -3.11 105.19 109.25 2pa6 n GLY 177 Ca -0.02 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 2pa6 n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pa6 s ALA 178 N -2.41 2.17 -1.81 4.61 0.00 -0.84 -4.93 121.76 118.55 2pa6 s ALA 178 Ca 0.31 0.22 0.16 0.00 0.00 0.00 0.00 51.96 52.65 2pa6 s ALA 178 Cb 0.20 -3.26 0.22 0.00 0.00 0.00 0.00 23.12 20.28 2pa6 s ALA 178 CO 0.46 -1.84 1.11 0.25 0.00 0.00 0.00 175.76 175.74 2pa6 n THR 179 N -3.57 0.29 -3.61 0.00 -2.24 -1.26 -4.77 114.28 99.12 2pa6 n THR 179 Ca 0.09 -0.65 -0.08 0.00 -2.27 0.00 0.00 64.05 61.15 2pa6 n THR 179 Cb 0.53 1.09 -0.02 0.00 -2.10 0.00 0.00 70.33 69.84 2pa6 n THR 179 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2pa6 s SER 180 N -1.24 -0.34 0.27 3.42 1.04 -1.26 -4.65 113.70 110.94 2pa6 s SER 180 Ca 0.23 -0.21 0.03 0.00 0.48 0.00 0.00 55.95 56.48 2pa6 s SER 180 Cb 0.15 0.52 0.38 0.00 0.10 0.00 0.00 66.02 67.17 2pa6 s SER 180 CO 0.21 -0.90 1.69 -0.29 0.98 0.00 0.00 173.24 174.92 2pa6 h ILE 181 N 2.00 1.29 -0.23 -1.02 -0.00 -1.93 -0.28 117.51 117.34 2pa6 h ILE 181 Ca -0.25 -1.41 0.01 0.00 -0.00 0.00 0.00 64.86 63.21 2pa6 h ILE 181 Cb 1.26 1.50 -0.02 0.00 -0.00 0.00 0.00 36.82 39.56 2pa6 h ILE 181 CO 0.30 0.44 0.12 0.28 -0.00 0.00 0.00 178.15 179.29 2pa6 h SER 182 N 0.37 0.20 -0.07 2.19 0.02 -1.94 0.54 113.55 114.85 2pa6 h SER 182 Ca 0.04 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.89 2pa6 h SER 182 Cb 0.77 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 2pa6 h SER 182 CO 0.06 0.15 -0.30 -0.08 -1.14 0.00 0.00 176.83 175.51 2pa6 h GLU 183 N 0.26 0.54 -0.48 3.45 4.81 -1.90 -2.07 114.58 119.19 2pa6 h GLU 183 Ca 0.09 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 59.07 2pa6 h GLU 183 Cb 0.01 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 2pa6 h GLU 183 CO -0.05 0.78 0.21 0.00 -0.73 0.00 0.00 179.01 179.23 2pa6 h ALA 184 N 1.21 0.61 -0.55 2.92 0.00 -0.46 0.17 119.26 123.16 2pa6 h ALA 184 Ca 0.06 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2pa6 h ALA 184 Cb 0.76 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2pa6 h ALA 184 CO 0.06 0.19 0.21 0.28 0.00 0.00 0.00 179.25 179.99 2pa6 h VAL 185 N 0.62 1.23 -0.02 0.00 2.07 -0.78 -0.90 116.25 118.47 2pa6 h VAL 185 Ca 0.16 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 2pa6 h VAL 185 Cb 0.15 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 2pa6 h VAL 185 CO -0.02 0.27 0.01 -0.09 0.02 0.00 0.00 177.57 177.77 2pa6 h ARG 186 N 0.76 0.03 -0.44 1.57 2.43 -0.95 -0.25 114.38 117.52 2pa6 h ARG 186 Ca 0.18 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.41 2pa6 h ARG 186 Cb 0.22 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.71 2pa6 h ARG 186 CO -0.01 0.08 0.13 0.52 -1.51 0.00 0.00 179.97 179.17 2pa6 h MET 187 N -0.03 0.27 -0.47 0.20 2.86 -0.50 0.71 114.93 117.97 2pa6 h MET 187 Ca 0.01 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.66 2pa6 h MET 187 Cb 0.06 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 2pa6 h MET 187 CO -0.00 0.18 0.27 0.78 1.06 0.00 0.00 176.91 179.19 2pa6 h GLY 188 N 0.28 0.66 0.96 8.32 0.00 -0.89 -1.02 103.07 111.38 2pa6 h GLY 188 Ca 0.21 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 2pa6 h GLY 188 CO -0.24 0.15 0.21 0.23 0.00 0.00 0.00 176.54 176.89 2pa6 h SER 189 N 0.53 0.58 -0.37 0.19 0.87 -0.27 -0.34 113.55 114.73 2pa6 h SER 189 Ca 0.20 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 2pa6 h SER 189 Cb 0.05 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 2pa6 h SER 189 CO -0.11 0.55 0.18 -0.33 -0.53 0.00 0.00 176.83 176.60 2pa6 h GLU 190 N 0.57 0.53 -0.78 2.24 5.08 -0.58 -0.29 114.58 121.35 2pa6 h GLU 190 Ca 0.15 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 2pa6 h GLU 190 Cb 0.13 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2pa6 h GLU 190 CO -0.02 0.48 0.30 0.28 -1.00 0.00 0.00 179.01 179.05 2pa6 h VAL 191 N 0.46 1.26 -0.55 3.13 2.07 -1.09 -1.33 116.25 120.20 2pa6 h VAL 191 Ca 0.13 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 66.83 2pa6 h VAL 191 Cb 0.12 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 2pa6 h VAL 191 CO -0.02 0.34 0.36 0.22 0.02 0.00 0.00 177.57 178.49 2pa6 h TYR 192 N 1.14 0.67 -0.03 1.57 3.20 -0.60 0.97 116.97 123.89 2pa6 h TYR 192 Ca 0.26 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 62.00 2pa6 h TYR 192 Cb 0.23 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 2pa6 h TYR 192 CO 0.02 0.41 -0.63 0.45 -1.64 0.00 0.00 178.16 176.77 2pa6 h HIS 193 N 0.72 0.15 -0.35 -3.82 3.86 -0.75 -0.78 115.15 114.19 2pa6 h HIS 193 Ca 0.21 -0.06 -0.06 0.00 -1.16 0.00 0.00 60.37 59.30 2pa6 h HIS 193 Cb -0.05 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 2pa6 h HIS 193 CO -0.04 0.71 -0.03 0.28 0.86 0.00 0.00 177.93 179.71 2pa6 h VAL 194 N 0.08 1.27 -0.60 2.45 2.07 -0.85 -2.26 116.25 118.41 2pa6 h VAL 194 Ca -0.01 -1.05 0.04 0.00 0.82 0.00 0.00 66.70 66.51 2pa6 h VAL 194 Cb 1.13 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 32.11 2pa6 h VAL 194 CO 0.09 0.34 0.35 0.25 0.02 0.00 0.00 177.57 178.62 2pa6 h LEU 195 N 0.44 0.54 -0.53 2.57 5.85 -0.61 -1.01 115.31 122.55 2pa6 h LEU 195 Ca 0.09 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.87 2pa6 h LEU 195 Cb 0.51 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 2pa6 h LEU 195 CO 0.02 0.37 0.29 0.50 -0.34 0.00 0.00 178.44 179.28 2pa6 h LYS 196 N 0.67 0.55 -0.38 1.25 3.64 -0.92 -1.14 116.57 120.25 2pa6 h LYS 196 Ca 0.26 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.51 2pa6 h LYS 196 Cb 0.09 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 2pa6 h LYS 196 CO -0.14 0.37 -0.15 -0.91 -2.27 0.00 0.00 179.45 176.35 2pa6 h ASN 197 N 0.57 0.69 -0.62 4.20 2.35 -0.85 -1.36 115.58 120.55 2pa6 h ASN 197 Ca 0.23 -0.21 -0.08 0.00 -0.55 0.00 0.00 56.30 55.69 2pa6 h ASN 197 Cb 0.09 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 2pa6 h ASN 197 CO -0.13 0.85 0.08 0.58 -1.65 0.00 0.00 177.43 177.16 2pa6 h VAL 198 N 0.63 1.26 -0.59 2.81 2.07 -0.75 -1.28 116.25 120.40 2pa6 h VAL 198 Ca 0.10 -1.05 -0.10 0.00 0.82 0.00 0.00 66.70 66.47 2pa6 h VAL 198 Cb 0.61 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 2pa6 h VAL 198 CO 0.04 0.39 -0.03 0.40 0.02 0.00 0.00 177.57 178.39 2pa6 h ILE 199 N 0.96 1.27 0.11 4.57 2.04 -1.01 -1.54 117.51 123.90 2pa6 h ILE 199 Ca 0.19 -1.19 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 2pa6 h ILE 199 Cb 0.46 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 2pa6 h ILE 199 CO 0.02 0.43 -0.05 -0.07 0.00 0.00 0.00 178.15 178.47 2pa6 h LEU 200 N 0.96 -0.13 -1.42 1.44 3.38 -0.95 0.44 115.31 119.03 2pa6 h LEU 200 Ca 0.16 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2pa6 h LEU 200 Cb 0.59 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2pa6 h LEU 200 CO 0.04 -0.03 -0.21 1.05 0.09 0.00 0.00 178.44 179.38 2pa6 h GLU 201 N -0.22 0.00 0.07 1.13 4.11 -1.20 -0.03 114.58 118.43 2pa6 h GLU 201 Ca -0.02 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.06 2pa6 h GLU 201 Cb 0.18 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 2pa6 h GLU 201 CO 0.03 0.21 -2.03 1.63 0.07 0.00 0.00 179.01 178.92 2pa6 n LYS 202 N -3.53 0.69 0.00 1.06 5.02 -0.59 -4.67 118.16 116.15 2pa6 n LYS 202 Ca -0.01 0.29 0.05 0.00 -2.02 0.00 0.00 58.31 56.62 2pa6 n LYS 202 Cb 0.36 -1.66 0.01 0.00 -0.02 0.00 0.00 35.03 33.73 2pa6 n LYS 202 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2pa6 n TYR 203 N -3.66 0.00 0.00 2.13 4.01 0.15 -5.08 117.16 114.71 2pa6 n TYR 203 Ca -0.37 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.37 2pa6 n TYR 203 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.99 2pa6 n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2pa6 n GLY 204 N 0.77 1.81 0.17 2.72 0.00 -0.03 -4.60 105.19 106.04 2pa6 n GLY 204 Ca 0.04 -1.96 0.13 0.00 0.00 0.00 0.00 46.02 44.24 2pa6 n GLY 204 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2pa6 h LYS 205 N 0.00 0.00 -0.59 1.61 2.10 -1.91 -2.68 116.57 115.11 2pa6 h LYS 205 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2pa6 h LYS 205 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2pa6 h LYS 205 CO 0.00 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 177.72 2pa6 n ASN 206 N -2.39 3.32 -0.55 7.07 6.94 -1.26 -4.27 115.26 124.11 2pa6 n ASN 206 Ca 0.00 -2.12 0.06 0.00 -0.02 0.00 0.00 54.58 52.50 2pa6 n ASN 206 Cb 0.14 -0.43 0.15 0.00 -2.36 0.00 0.00 39.78 37.29 2pa6 n ASN 206 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2pa6 n ALA 207 N 1.05 2.37 -1.03 -2.53 0.00 -1.01 -4.67 120.51 114.70 2pa6 n ALA 207 Ca 0.19 -1.55 0.09 0.00 0.00 0.00 0.00 53.44 52.17 2pa6 n ALA 207 Cb 0.56 -0.43 0.21 0.00 0.00 0.00 0.00 19.45 19.79 2pa6 n ALA 207 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2pa6 n VAL 208 N -0.10 2.12 -1.81 0.00 0.24 -1.26 -4.58 118.33 112.94 2pa6 n VAL 208 Ca 0.13 -2.04 -0.31 0.00 -2.04 0.00 0.00 64.34 60.07 2pa6 n VAL 208 Cb 0.54 -0.25 0.02 0.00 -1.47 0.00 0.00 33.84 32.68 2pa6 n VAL 208 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2pa6 s ASN 209 N -2.33 5.85 0.25 -1.34 0.01 -1.26 -4.99 114.94 111.12 2pa6 s ASN 209 Ca 0.38 1.57 0.08 0.00 -0.71 0.00 0.00 52.86 54.18 2pa6 s ASN 209 Cb 0.32 -2.49 -0.04 0.00 0.41 0.00 0.00 41.25 39.44 2pa6 s ASN 209 CO 0.06 -1.13 0.07 0.68 -1.51 0.00 0.00 177.10 175.28 2pa6 s VAL 210 N -2.98 3.86 0.34 1.60 -7.23 -1.26 -4.35 120.40 110.38 2pa6 s VAL 210 Ca 0.58 -1.65 -0.03 0.00 -1.81 0.00 0.00 61.98 59.06 2pa6 s VAL 210 Cb -0.13 -3.06 0.07 0.00 0.56 0.00 0.00 36.38 33.83 2pa6 s VAL 210 CO 0.50 -0.33 0.46 0.61 -0.31 0.00 0.00 175.10 176.03 2pa6 n GLY 211 N -0.89 -0.31 0.39 2.32 0.00 -0.25 -4.88 105.19 101.57 2pa6 n GLY 211 Ca -0.07 -1.83 0.17 0.00 0.00 0.00 0.00 46.02 44.29 2pa6 n GLY 211 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2pa6 h ASP 212 N -0.47 0.50 -0.70 1.61 3.32 -1.92 -1.77 116.42 116.99 2pa6 h ASP 212 Ca -0.15 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.95 2pa6 h ASP 212 Cb 0.47 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2pa6 h ASP 212 CO 0.13 0.21 0.00 -0.62 -1.72 0.00 0.00 179.24 177.24 2pa6 n GLU 213 N -4.55 3.39 -0.23 3.56 1.02 -1.26 -4.95 120.64 117.62 2pa6 n GLU 213 Ca 0.19 -2.84 0.00 0.00 -0.02 0.00 0.00 57.16 54.50 2pa6 n GLU 213 Cb 0.64 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 2pa6 n GLU 213 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pa6 n GLY 214 N 1.37 1.12 3.91 0.62 0.00 -0.67 -1.61 105.19 109.93 2pa6 n GLY 214 Ca 0.26 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.00 2pa6 n GLY 214 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pa6 s GLY 215 N -1.76 1.63 0.43 -0.02 0.00 -1.23 -4.68 107.32 101.68 2pa6 s GLY 215 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.08 2pa6 s GLY 215 CO 0.00 -0.25 0.64 -1.36 0.00 0.00 0.00 173.10 172.13 2pa6 s PHE 216 N -3.30 3.30 -0.48 1.90 0.08 0.02 -1.09 117.98 118.41 2pa6 s PHE 216 Ca 0.59 0.28 0.08 0.00 0.12 0.00 0.00 56.93 58.00 2pa6 s PHE 216 Cb -0.11 -2.21 0.27 0.00 -0.57 0.00 0.00 43.02 40.41 2pa6 s PHE 216 CO 0.48 -0.23 0.65 0.00 -0.10 0.00 0.00 175.22 176.02 2pa6 n ALA 217 N -2.01 3.07 -1.27 5.36 0.00 -1.26 -0.58 120.51 123.81 2pa6 n ALA 217 Ca -0.00 -3.93 -0.34 0.00 0.00 0.00 0.00 53.44 49.17 2pa6 n ALA 217 Cb 0.57 -0.85 0.11 0.00 0.00 0.00 0.00 19.45 19.28 2pa6 n ALA 217 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2pa6 s PRO 218 N -1.94 1.95 -0.89 0.00 0.04 -1.26 -4.67 135.00 128.24 2pa6 s PRO 218 Ca 0.38 1.75 -0.18 0.00 0.04 0.00 0.00 61.00 63.00 2pa6 s PRO 218 Cb 0.20 -1.81 -0.11 0.00 0.04 0.00 0.00 34.50 32.81 2pa6 s PRO 218 CO -0.08 -1.98 2.01 -0.35 0.04 0.00 0.00 177.00 176.65 2pa6 n PRO 219 N -2.94 1.80 -3.97 0.56 -0.04 -1.26 -4.71 135.00 124.43 2pa6 n PRO 219 Ca 0.13 -1.86 -0.21 0.00 -0.04 0.00 0.00 63.50 61.52 2pa6 n PRO 219 Cb 0.50 -2.87 -0.03 0.00 -0.04 0.00 0.00 33.50 31.06 2pa6 n PRO 219 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2pa6 s LEU 220 N 1.05 3.86 0.00 1.53 1.43 -1.26 -4.94 118.68 120.35 2pa6 s LEU 220 Ca 0.53 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 2pa6 s LEU 220 Cb 0.14 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.92 2pa6 s LEU 220 CO 0.06 -0.14 0.00 0.29 0.23 0.00 0.00 176.35 176.79 2pa6 n LYS 221 N -1.30 2.36 -4.19 1.70 5.02 -1.26 -2.02 118.16 118.47 2pa6 n LYS 221 Ca -0.06 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.05 2pa6 n LYS 221 Cb 0.58 -0.76 -0.12 0.00 -0.02 0.00 0.00 35.03 34.72 2pa6 n LYS 221 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2pa6 s THR 222 N -1.32 1.17 0.25 -0.18 -4.23 -1.26 -4.53 115.64 105.54 2pa6 s THR 222 Ca 0.00 -1.44 -0.04 0.00 -1.18 0.00 0.00 61.69 59.03 2pa6 s THR 222 Cb 0.00 -1.23 0.24 0.00 1.34 0.00 0.00 72.50 72.85 2pa6 s THR 222 CO 0.00 -0.29 1.86 0.28 -0.54 0.00 0.00 174.62 175.92 2pa6 h SER 223 N 4.03 0.91 -0.91 3.99 0.02 -1.98 -1.34 113.55 118.26 2pa6 h SER 223 Ca -0.40 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 60.59 2pa6 h SER 223 Cb 1.19 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 63.51 2pa6 h SER 223 CO 0.44 0.57 0.60 0.03 -1.14 0.00 0.00 176.83 177.33 2pa6 h ARG 224 N 1.04 1.13 -0.35 3.45 3.08 -1.98 0.27 114.38 121.03 2pa6 h ARG 224 Ca 0.40 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.37 2pa6 h ARG 224 Cb 0.20 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 2pa6 h ARG 224 CO -0.18 0.75 0.17 0.93 -1.07 0.00 0.00 179.97 180.57 2pa6 h GLU 225 N 1.17 0.50 -0.18 0.04 5.08 -1.68 0.22 114.58 119.73 2pa6 h GLU 225 Ca 0.36 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2pa6 h GLU 225 Cb -0.02 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 2pa6 h GLU 225 CO -0.10 0.45 0.09 0.00 -1.00 0.00 0.00 179.01 178.44 2pa6 h ALA 226 N 1.03 0.23 -0.12 3.43 0.00 -0.78 -2.02 119.26 121.02 2pa6 h ALA 226 Ca 0.12 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2pa6 h ALA 226 Cb 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2pa6 h ALA 226 CO -0.02 -0.23 -0.23 -0.07 0.00 0.00 0.00 179.25 178.71 2pa6 h LEU 227 N 0.17 0.20 -0.56 0.00 3.38 -0.30 -1.87 115.31 116.33 2pa6 h LEU 227 Ca 0.06 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 2pa6 h LEU 227 Cb 0.09 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2pa6 h LEU 227 CO -0.01 0.44 -0.34 0.44 0.09 0.00 0.00 178.44 179.06 2pa6 h ASP 228 N 0.19 0.82 -0.55 -0.43 3.32 -0.35 -0.58 116.42 118.84 2pa6 h ASP 228 Ca 0.03 -0.35 -0.05 0.00 0.02 0.00 0.00 57.03 56.68 2pa6 h ASP 228 Cb 0.51 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 2pa6 h ASP 228 CO 0.03 1.08 0.13 0.25 -1.72 0.00 0.00 179.24 179.02 2pa6 h LEU 229 N 0.65 0.84 -0.56 1.55 5.85 -0.93 0.13 115.31 122.83 2pa6 h LEU 229 Ca 0.06 -0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.46 2pa6 h LEU 229 Cb 0.89 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 2pa6 h LEU 229 CO 0.08 0.85 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.95 2pa6 h LEU 230 N 0.78 0.98 -0.43 2.25 3.38 -1.20 -0.68 115.31 120.39 2pa6 h LEU 230 Ca 0.17 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 2pa6 h LEU 230 Cb 0.34 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2pa6 h LEU 230 CO 0.00 1.05 0.26 0.74 0.09 0.00 0.00 178.44 180.59 2pa6 h THR 231 N 0.88 1.14 -0.66 0.22 2.02 -0.77 0.14 112.91 115.88 2pa6 h THR 231 Ca 0.16 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 2pa6 h THR 231 Cb 0.55 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 2pa6 h THR 231 CO 0.03 0.14 0.30 -0.08 0.37 0.00 0.00 175.52 176.27 2pa6 h GLU 232 N 0.57 0.96 -0.19 6.66 4.81 -0.54 -1.12 114.58 125.73 2pa6 h GLU 232 Ca 0.15 -0.15 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 2pa6 h GLU 232 Cb -0.00 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 2pa6 h GLU 232 CO -0.03 0.78 -0.10 0.77 -0.73 0.00 0.00 179.01 179.70 2pa6 h SER 233 N 0.91 0.41 -0.90 1.04 0.02 -0.79 -1.65 113.55 112.60 2pa6 h SER 233 Ca 0.22 -0.42 0.01 0.00 -0.84 0.00 0.00 61.79 60.76 2pa6 h SER 233 Cb 0.15 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 2pa6 h SER 233 CO -0.02 0.74 0.58 0.58 -1.14 0.00 0.00 176.83 177.57 2pa6 h VAL 234 N 0.08 1.24 0.00 2.27 2.07 -0.63 -0.29 116.25 120.99 2pa6 h VAL 234 Ca 0.04 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 2pa6 h VAL 234 Cb 0.59 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2pa6 h VAL 234 CO 0.03 0.23 -0.00 0.50 0.02 0.00 0.00 177.57 178.35 2pa6 h LYS 235 N 1.23 -0.00 -0.24 1.57 3.64 -1.15 -1.47 116.57 120.16 2pa6 h LYS 235 Ca 0.33 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.73 2pa6 h LYS 235 Cb -0.12 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 2pa6 h LYS 235 CO -0.07 0.23 0.16 0.87 -2.27 0.00 0.00 179.45 178.37 2pa6 h LYS 236 N -0.24 0.24 0.00 1.90 1.57 -1.01 0.13 116.57 119.15 2pa6 h LYS 236 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2pa6 h LYS 236 Cb 0.24 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2pa6 h LYS 236 CO 0.00 0.16 0.00 0.00 -0.57 0.00 0.00 179.45 179.04 2pa6 h ALA 237 N 1.86 1.00 0.00 3.86 0.00 -0.75 -3.47 119.26 121.76 2pa6 h ALA 237 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2pa6 h ALA 237 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2pa6 h ALA 237 CO -0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.64 2pa6 n GLY 238 N 0.57 0.63 1.37 0.00 0.00 0.45 -4.99 105.19 103.22 2pa6 n GLY 238 Ca 0.03 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 2pa6 n GLY 238 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2pa6 n TYR 239 N -2.78 1.48 -0.29 1.61 4.01 -0.63 -4.80 117.16 115.77 2pa6 n TYR 239 Ca 0.00 -1.89 0.09 0.00 -0.16 0.00 0.00 57.90 55.94 2pa6 n TYR 239 Cb 0.08 -0.44 0.24 0.00 -0.31 0.00 0.00 39.34 38.91 2pa6 n TYR 239 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2pa6 h GLU 240 N 1.47 0.48 -0.02 -0.72 5.08 -1.87 -1.56 114.58 117.45 2pa6 h GLU 240 Ca 0.24 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2pa6 h GLU 240 Cb 1.37 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2pa6 h GLU 240 CO 0.49 0.32 -0.03 -0.25 -1.00 0.00 0.00 179.01 178.54 2pa6 n ASP 241 N -4.97 1.61 -0.00 1.42 8.00 -1.26 -4.27 116.55 117.09 2pa6 n ASP 241 Ca 0.18 -1.49 0.03 0.00 0.71 0.00 0.00 54.79 54.22 2pa6 n ASP 241 Cb 0.51 0.02 -0.04 0.00 -0.02 0.00 0.00 41.12 41.59 2pa6 n ASP 241 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2pa6 n GLU 242 N 0.21 1.51 -4.76 -1.24 4.71 -0.67 -4.74 120.64 115.66 2pa6 n GLU 242 Ca 0.18 -0.03 -0.33 0.00 -0.01 0.00 0.00 57.16 56.96 2pa6 n GLU 242 Cb 0.38 -1.02 -0.14 0.00 -1.01 0.00 0.00 31.44 29.65 2pa6 n GLU 242 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2pa6 s VAL 243 N -2.12 3.12 0.52 2.62 1.01 -0.69 0.02 120.40 124.87 2pa6 s VAL 243 Ca -0.01 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.34 2pa6 s VAL 243 Cb 0.03 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 2pa6 s VAL 243 CO 0.21 0.52 0.01 0.68 0.00 0.00 0.00 175.10 176.52 2pa6 s VAL 244 N 0.30 1.09 0.19 2.92 -7.23 -0.32 -4.88 120.40 112.49 2pa6 s VAL 244 Ca -0.10 -1.99 0.09 0.00 -1.81 0.00 0.00 61.98 58.18 2pa6 s VAL 244 Cb -0.16 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 2pa6 s VAL 244 CO 0.05 0.00 -0.11 -0.36 -0.31 0.00 0.00 175.10 174.37 2pa6 s PHE 245 N -2.89 2.57 0.01 2.82 0.08 0.28 -0.22 117.98 120.63 2pa6 s PHE 245 Ca 0.03 -0.25 0.01 0.00 0.12 0.00 0.00 56.93 56.85 2pa6 s PHE 245 Cb 0.01 -1.24 -0.01 0.00 -0.57 0.00 0.00 43.02 41.21 2pa6 s PHE 245 CO 0.02 0.53 -0.04 0.00 -0.10 0.00 0.00 175.22 175.62 2pa6 s ALA 246 N -1.79 0.33 0.09 5.36 0.00 -0.49 -0.54 121.76 124.71 2pa6 s ALA 246 Ca 0.25 -0.34 0.08 0.00 0.00 0.00 0.00 51.96 51.95 2pa6 s ALA 246 Cb -0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 2pa6 s ALA 246 CO 0.15 0.02 -0.21 -0.51 0.00 0.00 0.00 175.76 175.20 2pa6 s LEU 247 N -0.59 2.26 -0.34 0.00 1.43 0.38 -0.69 118.68 121.13 2pa6 s LEU 247 Ca -0.03 -0.65 0.02 0.00 -1.03 0.00 0.00 54.13 52.43 2pa6 s LEU 247 Cb -0.04 -0.94 0.10 0.00 0.03 0.00 0.00 46.19 45.33 2pa6 s LEU 247 CO -0.00 0.10 0.09 -0.62 0.23 0.00 0.00 176.35 176.15 2pa6 s ASP 248 N -1.72 4.35 0.19 2.29 2.15 -0.44 0.28 116.67 123.76 2pa6 s ASP 248 Ca 0.07 -1.97 -0.01 0.00 0.43 0.00 0.00 52.55 51.08 2pa6 s ASP 248 Cb -0.10 -1.24 0.10 0.00 -0.30 0.00 0.00 42.92 41.39 2pa6 s ASP 248 CO 0.04 -0.39 1.47 0.00 -0.17 0.00 0.00 175.17 176.12 2pa6 h ALA 249 N 7.75 0.66 -6.54 3.66 0.00 -1.30 -0.60 119.26 122.90 2pa6 h ALA 249 Ca -0.08 -0.57 -0.51 0.00 0.00 0.00 0.00 54.91 53.74 2pa6 h ALA 249 Cb 1.01 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.63 2pa6 h ALA 249 CO 0.50 0.74 -0.85 0.00 0.00 0.00 0.00 179.25 179.63 2pa6 n ALA 250 N -2.51 -1.69 0.03 0.00 0.00 -1.16 -3.46 120.51 111.72 2pa6 n ALA 250 Ca -0.04 -0.13 0.22 0.00 0.00 0.00 0.00 53.44 53.50 2pa6 n ALA 250 Cb 0.67 -2.50 0.68 0.00 0.00 0.00 0.00 19.45 18.29 2pa6 n ALA 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pa6 h ALA 251 N 0.88 2.28 -0.26 0.00 0.00 -1.63 -0.88 119.26 119.65 2pa6 h ALA 251 Ca -0.61 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2pa6 h ALA 251 Cb 1.38 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2pa6 h ALA 251 CO 0.68 -0.90 0.17 0.77 0.00 0.00 0.00 179.25 179.96 2pa6 h SER 252 N 0.00 0.30 0.11 0.00 0.02 -1.84 -2.09 113.55 110.06 2pa6 h SER 252 Ca 0.26 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 2pa6 h SER 252 Cb 1.50 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.96 2pa6 h SER 252 CO -0.00 0.22 -0.06 -0.33 -1.14 0.00 0.00 176.83 175.52 2pa6 h GLU 253 N 0.35 0.00 -0.02 3.45 4.39 -1.49 -2.79 114.58 118.47 2pa6 h GLU 253 Ca 0.10 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 2pa6 h GLU 253 Cb -0.03 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2pa6 h GLU 253 CO -0.02 0.06 -0.31 1.97 -1.16 0.00 0.00 179.01 179.55 2pa6 n PHE 254 N -4.03 0.05 -4.27 4.33 1.16 -0.81 -5.01 117.46 108.87 2pa6 n PHE 254 Ca -0.03 -1.33 -0.35 0.00 -1.87 0.00 0.00 57.45 53.87 2pa6 n PHE 254 Cb 0.15 -0.23 -0.09 0.00 -1.61 0.00 0.00 39.48 37.70 2pa6 n PHE 254 CO 0.00 0.00 0.00 -0.47 -1.87 0.00 0.00 176.76 174.42 2pa6 s TYR 255 N -3.11 3.25 -0.30 2.97 5.04 -1.06 -0.91 117.35 123.23 2pa6 s TYR 255 Ca 0.36 0.26 -0.12 0.00 -2.44 0.00 0.00 57.07 55.13 2pa6 s TYR 255 Cb 0.34 -1.82 0.13 0.00 0.35 0.00 0.00 41.96 40.96 2pa6 s TYR 255 CO -0.03 0.52 0.74 0.21 -1.34 0.00 0.00 175.55 175.65 2pa6 s LYS 256 N -0.92 0.53 -1.25 4.97 2.36 0.10 -4.98 119.74 120.55 2pa6 s LYS 256 Ca 0.14 1.25 -0.11 0.00 -2.55 0.00 0.00 55.97 54.70 2pa6 s LYS 256 Cb -0.11 0.67 -0.00 0.00 -1.05 0.00 0.00 37.83 37.33 2pa6 s LYS 256 CO 0.03 -0.17 0.65 -0.25 1.55 0.00 0.00 175.35 177.15 2pa6 n ASP 257 N 5.14 -2.99 0.00 1.43 8.00 -1.26 -1.88 116.55 124.99 2pa6 n ASP 257 Ca -0.13 -0.99 0.00 0.00 0.71 0.00 0.00 54.79 54.38 2pa6 n ASP 257 Cb 0.51 -3.33 0.00 0.00 -0.02 0.00 0.00 41.12 38.28 2pa6 n ASP 257 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pa6 n GLY 258 N -1.78 1.67 3.25 0.44 0.00 -1.26 -5.02 105.19 102.49 2pa6 n GLY 258 Ca -0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 2pa6 n GLY 258 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pa6 s TYR 259 N -3.63 1.50 -0.22 1.61 1.51 -0.79 -4.52 117.35 112.81 2pa6 s TYR 259 Ca 0.00 -0.50 -0.05 0.00 -1.01 0.00 0.00 57.07 55.51 2pa6 s TYR 259 Cb 0.00 -0.79 -0.02 0.00 -0.11 0.00 0.00 41.96 41.04 2pa6 s TYR 259 CO 0.00 0.17 -0.01 0.71 -1.11 0.00 0.00 175.55 175.30 2pa6 s TYR 260 N -1.78 3.00 -0.60 2.71 2.02 0.78 0.02 117.35 123.49 2pa6 s TYR 260 Ca 0.07 -0.68 -0.19 0.00 -0.37 0.00 0.00 57.07 55.90 2pa6 s TYR 260 Cb -0.07 -2.11 0.11 0.00 -0.40 0.00 0.00 41.96 39.49 2pa6 s TYR 260 CO 0.04 -0.40 0.71 0.71 -1.57 0.00 0.00 175.55 175.03 2pa6 s TYR 261 N 1.31 3.02 -0.06 2.71 1.51 -0.09 -0.83 117.35 124.92 2pa6 s TYR 261 Ca 0.04 -1.00 0.03 0.00 -1.01 0.00 0.00 57.07 55.13 2pa6 s TYR 261 Cb -0.15 -4.02 0.01 0.00 -0.11 0.00 0.00 41.96 37.69 2pa6 s TYR 261 CO -0.00 -1.29 -0.16 0.08 -1.11 0.00 0.00 175.55 173.07 2pa6 s VAL 262 N 2.61 1.41 -1.36 0.71 1.01 -0.74 -4.83 120.40 119.21 2pa6 s VAL 262 Ca 0.12 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 2pa6 s VAL 262 Cb -0.24 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 34.90 2pa6 s VAL 262 CO 0.05 0.41 0.45 -0.62 0.00 0.00 0.00 175.10 175.39 2pa6 n GLU 263 N 3.54 -2.29 -1.99 2.72 1.02 -1.26 -1.06 120.64 121.31 2pa6 n GLU 263 Ca -0.21 0.33 -0.18 0.00 -0.02 0.00 0.00 57.16 57.09 2pa6 n GLU 263 Cb 0.52 -4.12 -0.04 0.00 -0.02 0.00 0.00 31.44 27.78 2pa6 n GLU 263 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pa6 n GLY 264 N -2.03 0.52 3.28 0.62 0.00 -1.26 -4.99 105.19 101.32 2pa6 n GLY 264 Ca -0.26 -0.15 -0.16 0.00 0.00 0.00 0.00 46.02 45.45 2pa6 n GLY 264 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pa6 s LYS 265 N -4.31 1.15 -0.35 1.61 1.02 -0.23 -5.12 119.74 113.51 2pa6 s LYS 265 Ca 0.00 -1.48 -0.01 0.00 0.02 0.00 0.00 55.97 54.50 2pa6 s LYS 265 Cb 0.00 -0.81 0.08 0.00 -0.52 0.00 0.00 37.83 36.58 2pa6 s LYS 265 CO 0.00 0.12 0.09 0.21 -0.92 0.00 0.00 175.35 174.85 2pa6 s LYS 266 N -3.62 2.11 0.09 1.68 2.20 -1.26 -1.79 119.74 119.16 2pa6 s LYS 266 Ca 0.18 -1.58 0.06 0.00 -0.36 0.00 0.00 55.97 54.26 2pa6 s LYS 266 Cb 0.01 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.94 2pa6 s LYS 266 CO 0.03 -0.85 -0.06 -0.51 -0.36 0.00 0.00 175.35 173.60 2pa6 s LEU 267 N 1.15 3.23 0.66 5.43 1.43 -0.01 -4.91 118.68 125.67 2pa6 s LEU 267 Ca 0.03 -0.28 -0.05 0.00 -1.03 0.00 0.00 54.13 52.80 2pa6 s LEU 267 Cb -0.21 -1.98 0.05 0.00 0.03 0.00 0.00 46.19 44.08 2pa6 s LEU 267 CO -0.03 0.19 0.95 0.42 0.23 0.00 0.00 176.35 178.10 2pa6 s THR 268 N -1.23 2.43 0.18 5.49 -4.23 -1.26 -0.16 115.64 116.86 2pa6 s THR 268 Ca 0.23 -0.36 -0.16 0.00 -1.18 0.00 0.00 61.69 60.22 2pa6 s THR 268 Cb -0.11 -3.02 0.14 0.00 1.34 0.00 0.00 72.50 70.85 2pa6 s THR 268 CO 0.15 -0.02 1.65 -0.09 -0.54 0.00 0.00 174.62 175.78 2pa6 h ARG 269 N -0.41 0.01 -0.51 3.99 2.43 -1.99 -0.98 114.38 116.93 2pa6 h ARG 269 Ca -0.44 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.72 2pa6 h ARG 269 Cb 1.31 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.83 2pa6 h ARG 269 CO 0.58 0.00 0.27 0.93 -1.51 0.00 0.00 179.97 180.25 2pa6 h GLU 270 N 0.01 0.69 -0.11 0.20 3.07 -1.98 -1.00 114.58 115.45 2pa6 h GLU 270 Ca 0.23 -0.07 -0.19 0.00 -0.50 0.00 0.00 59.36 58.84 2pa6 h GLU 270 Cb 0.36 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.12 2pa6 h GLU 270 CO -0.49 0.52 -0.71 0.93 -1.40 0.00 0.00 179.01 177.85 2pa6 h GLU 271 N 0.70 0.52 -0.38 2.33 5.08 -1.66 -2.68 114.58 118.49 2pa6 h GLU 271 Ca 0.18 -0.41 -0.07 0.00 -1.00 0.00 0.00 59.36 58.06 2pa6 h GLU 271 Cb 0.03 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2pa6 h GLU 271 CO -0.03 1.03 -0.06 1.25 -1.00 0.00 0.00 179.01 180.20 2pa6 h LEU 272 N 0.36 0.61 -0.57 1.33 5.85 -0.71 -1.40 115.31 120.78 2pa6 h LEU 272 Ca -0.03 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 2pa6 h LEU 272 Cb 1.30 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 2pa6 h LEU 272 CO 0.13 0.72 0.33 0.25 -0.34 0.00 0.00 178.44 179.53 2pa6 h LEU 273 N 0.59 0.70 -1.27 2.25 6.46 -1.01 -0.76 115.31 122.27 2pa6 h LEU 273 Ca 0.11 -0.08 -0.07 0.00 -0.12 0.00 0.00 57.88 57.73 2pa6 h LEU 273 Cb 0.47 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.21 2pa6 h LEU 273 CO 0.02 0.57 -0.24 0.44 -0.62 0.00 0.00 178.44 178.61 2pa6 h ASP 274 N 0.77 0.19 0.12 1.25 3.32 -1.11 0.34 116.42 121.29 2pa6 h ASP 274 Ca 0.20 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 2pa6 h ASP 274 Cb 0.02 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2pa6 h ASP 274 CO -0.04 0.44 -0.06 0.22 -1.72 0.00 0.00 179.24 178.09 2pa6 h TYR 275 N 0.18 -0.15 -0.39 4.55 3.20 -0.15 0.13 116.97 124.34 2pa6 h TYR 275 Ca 0.03 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 2pa6 h TYR 275 Cb 0.53 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 2pa6 h TYR 275 CO 0.01 -0.09 0.15 1.88 -1.64 0.00 0.00 178.16 178.47 2pa6 h TYR 276 N -0.16 0.60 -0.88 -3.82 0.05 -0.79 -2.66 116.97 109.31 2pa6 h TYR 276 Ca -0.02 -0.05 0.08 0.00 0.05 0.00 0.00 58.73 58.79 2pa6 h TYR 276 Cb 0.12 -0.18 -0.07 0.00 1.01 0.00 0.00 36.73 37.62 2pa6 h TYR 276 CO -0.07 0.54 0.54 -0.22 -1.05 0.00 0.00 178.16 177.90 2pa6 h LYS 277 N 0.49 0.92 -0.62 4.88 3.64 -0.68 -0.46 116.57 124.74 2pa6 h LYS 277 Ca 0.13 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 2pa6 h LYS 277 Cb 0.20 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 2pa6 h LYS 277 CO -0.01 0.61 0.09 0.00 -2.27 0.00 0.00 179.45 177.87 2pa6 h ALA 278 N 1.44 1.00 -0.21 5.00 0.00 -0.77 -1.60 119.26 124.12 2pa6 h ALA 278 Ca 0.40 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2pa6 h ALA 278 Cb 0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2pa6 h ALA 278 CO -0.20 0.63 0.01 -0.07 0.00 0.00 0.00 179.25 179.62 2pa6 h LEU 279 N 0.95 0.35 -1.48 0.00 3.38 -0.99 -2.23 115.31 115.29 2pa6 h LEU 279 Ca 0.19 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.88 2pa6 h LEU 279 Cb 0.42 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2pa6 h LEU 279 CO 0.01 0.56 0.37 0.58 0.09 0.00 0.00 178.44 180.05 2pa6 h VAL 280 N 0.14 1.11 0.00 1.22 2.07 -0.94 0.15 116.25 119.99 2pa6 h VAL 280 Ca 0.06 -0.24 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 2pa6 h VAL 280 Cb 0.37 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2pa6 h VAL 280 CO 0.01 0.13 -0.36 0.44 0.02 0.00 0.00 177.57 177.81 2pa6 h ASP 281 N 0.71 0.00 0.30 0.57 5.19 -1.08 -3.27 116.42 118.84 2pa6 h ASP 281 Ca 0.21 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.48 2pa6 h ASP 281 Cb -0.01 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.47 2pa6 h ASP 281 CO -0.05 0.36 -1.83 -0.62 -3.12 0.00 0.00 179.24 173.98 2pa6 n GLU 282 N -3.49 0.65 -4.20 3.56 1.02 -0.52 -4.99 120.64 112.68 2pa6 n GLU 282 Ca -0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.98 2pa6 n GLU 282 Cb 0.51 -1.63 -0.11 0.00 -0.02 0.00 0.00 31.44 30.19 2pa6 n GLU 282 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2pa6 s TYR 283 N -3.08 1.21 -1.19 -0.32 2.02 0.39 -5.05 117.35 111.34 2pa6 s TYR 283 Ca -0.06 -0.60 -0.09 0.00 -0.37 0.00 0.00 57.07 55.95 2pa6 s TYR 283 Cb 0.10 -0.65 -0.07 0.00 -0.40 0.00 0.00 41.96 40.95 2pa6 s TYR 283 CO 0.85 0.06 2.40 -0.35 -1.57 0.00 0.00 175.55 176.95 2pa6 n PRO 284 N 0.59 2.66 -2.97 -1.71 -0.04 -1.26 -4.51 135.00 127.76 2pa6 n PRO 284 Ca -0.16 -1.81 -0.42 0.00 -0.04 0.00 0.00 63.50 61.07 2pa6 n PRO 284 Cb 0.57 -2.65 -0.05 0.00 -0.04 0.00 0.00 33.50 31.33 2pa6 n PRO 284 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2pa6 s ILE 285 N 3.07 4.75 -1.82 0.52 1.01 -1.26 -0.55 121.20 126.92 2pa6 s ILE 285 Ca 0.52 0.87 0.21 0.00 0.00 0.00 0.00 60.65 62.25 2pa6 s ILE 285 Cb 0.13 -4.20 -0.02 0.00 0.01 0.00 0.00 42.46 38.38 2pa6 s ILE 285 CO -0.04 -0.42 1.01 1.33 0.00 0.00 0.00 174.94 176.83 2pa6 n VAL 286 N 5.76 0.00 -3.66 2.92 0.24 0.30 -4.93 118.33 118.96 2pa6 n VAL 286 Ca 0.03 -0.26 -0.13 0.00 -2.04 0.00 0.00 64.34 61.93 2pa6 n VAL 286 Cb 0.48 1.22 -0.08 0.00 -1.47 0.00 0.00 33.84 34.00 2pa6 n VAL 286 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2pa6 s SER 287 N -2.36 -0.69 -0.08 -1.34 0.15 -1.24 -1.78 113.70 106.36 2pa6 s SER 287 Ca 0.16 1.28 -0.00 0.00 0.70 0.00 0.00 55.95 58.09 2pa6 s SER 287 Cb 0.17 1.28 0.02 0.00 -1.71 0.00 0.00 66.02 65.78 2pa6 s SER 287 CO 0.55 -0.22 -0.05 -0.63 1.20 0.00 0.00 173.24 174.09 2pa6 s ILE 288 N 0.53 0.71 -0.10 6.45 1.01 -0.38 -0.47 121.20 128.95 2pa6 s ILE 288 Ca -0.02 -0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.39 2pa6 s ILE 288 Cb -0.05 -0.77 -0.05 0.00 0.01 0.00 0.00 42.46 41.60 2pa6 s ILE 288 CO -0.02 0.30 0.26 -0.70 0.00 0.00 0.00 174.94 174.78 2pa6 s GLU 289 N 1.57 3.88 -1.15 2.79 2.12 0.14 -1.08 118.70 126.97 2pa6 s GLU 289 Ca 0.00 0.09 -0.27 0.00 0.36 0.00 0.00 54.97 55.15 2pa6 s GLU 289 Cb -0.13 -3.29 0.02 0.00 0.26 0.00 0.00 34.13 31.00 2pa6 s GLU 289 CO -0.05 0.55 0.72 -0.25 -0.54 0.00 0.00 175.26 175.69 2pa6 n ASP 290 N 2.54 -4.68 0.25 -1.70 8.00 0.11 -1.07 116.55 119.99 2pa6 n ASP 290 Ca -0.15 -1.16 0.10 0.00 0.71 0.00 0.00 54.79 54.29 2pa6 n ASP 290 Cb 0.53 -2.30 0.63 0.00 -0.02 0.00 0.00 41.12 39.96 2pa6 n ASP 290 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2pa6 h PRO 291 N -2.14 0.00 -5.18 -0.24 0.13 -1.83 -2.19 132.00 120.56 2pa6 h PRO 291 Ca -0.68 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 63.94 2pa6 h PRO 291 Cb 1.38 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.38 2pa6 h PRO 291 CO 0.49 0.16 -0.58 -0.06 -0.23 0.00 0.00 178.00 177.78 2pa6 s PHE 292 N -4.29 1.92 0.74 1.56 0.08 -1.26 -4.63 117.98 112.11 2pa6 s PHE 292 Ca -0.03 -1.05 -0.14 0.00 0.12 0.00 0.00 56.93 55.83 2pa6 s PHE 292 Cb 0.14 -1.28 0.05 0.00 -0.57 0.00 0.00 43.02 41.36 2pa6 s PHE 292 CO 0.62 -0.06 1.19 -3.38 -0.10 0.00 0.00 175.22 173.50 2pa6 s HIS 293 N -3.24 2.05 -0.68 0.36 -3.43 -1.26 -4.37 115.29 104.72 2pa6 s HIS 293 Ca 0.31 1.61 0.00 0.00 -0.80 0.00 0.00 55.06 56.18 2pa6 s HIS 293 Cb 0.07 -3.44 0.00 0.00 -1.43 0.00 0.00 32.58 27.78 2pa6 s HIS 293 CO 0.14 -2.57 0.67 -0.85 -2.00 0.00 0.00 174.74 170.14 2pa6 n GLU 294 N -2.86 0.00 0.00 -0.38 0.28 -1.26 -1.32 120.64 115.10 2pa6 n GLU 294 Ca 0.13 0.22 0.00 0.00 -0.16 0.00 0.00 57.16 57.35 2pa6 n GLU 294 Cb 0.50 -1.67 0.00 0.00 1.43 0.00 0.00 31.44 31.70 2pa6 n GLU 294 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2pa6 n GLU 295 N -1.17 -0.41 -1.94 3.44 -0.58 -1.26 -4.26 120.64 114.45 2pa6 n GLU 295 Ca 0.00 -0.57 -0.41 0.00 -0.42 0.00 0.00 57.16 55.76 2pa6 n GLU 295 Cb 0.17 -0.94 -0.01 0.00 -0.57 0.00 0.00 31.44 30.09 2pa6 n GLU 295 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2pa6 n ASP 296 N -0.06 6.61 -0.20 1.62 2.03 -0.43 -4.73 116.55 121.40 2pa6 n ASP 296 Ca 0.00 -2.99 -0.02 0.00 0.52 0.00 0.00 54.79 52.30 2pa6 n ASP 296 Cb 0.06 -1.48 0.08 0.00 -0.72 0.00 0.00 41.12 39.07 2pa6 n ASP 296 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 2pa6 h PHE 297 N 5.24 0.53 -0.46 -0.67 0.04 -1.90 -1.80 116.94 117.93 2pa6 h PHE 297 Ca 0.61 0.02 0.06 0.00 2.80 0.00 0.00 57.97 61.47 2pa6 h PHE 297 Cb 0.45 -0.15 -0.05 0.00 2.20 0.00 0.00 35.95 38.40 2pa6 h PHE 297 CO 1.52 0.23 0.15 1.49 -0.60 0.00 0.00 178.31 181.10 2pa6 h GLU 298 N 0.54 0.31 -0.80 1.51 4.81 -1.96 -1.34 114.58 117.64 2pa6 h GLU 298 Ca 0.27 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.49 2pa6 h GLU 298 Cb 0.22 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 2pa6 h GLU 298 CO -0.20 0.21 0.53 0.78 -0.73 0.00 0.00 179.01 179.59 2pa6 h GLY 299 N 0.32 1.13 1.01 1.92 0.00 -1.76 -1.64 103.07 104.06 2pa6 h GLY 299 Ca 0.22 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 2pa6 h GLY 299 CO -0.23 0.41 0.39 0.74 0.00 0.00 0.00 176.54 177.84 2pa6 h PHE 300 N 1.08 1.01 -0.76 5.60 -1.00 -0.74 -2.01 116.94 120.12 2pa6 h PHE 300 Ca 0.30 -0.03 -0.04 0.00 2.81 0.00 0.00 57.97 61.01 2pa6 h PHE 300 Cb -0.11 -0.32 -0.03 0.00 3.61 0.00 0.00 35.95 39.09 2pa6 h PHE 300 CO -0.02 0.72 0.33 0.00 -1.61 0.00 0.00 178.31 177.73 2pa6 h ALA 301 N 1.20 1.15 0.25 2.45 0.00 -0.79 -0.82 119.26 122.69 2pa6 h ALA 301 Ca 0.26 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2pa6 h ALA 301 Cb 0.05 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2pa6 h ALA 301 CO -0.04 0.63 -0.12 0.52 0.00 0.00 0.00 179.25 180.24 2pa6 h MET 302 N 1.10 -0.32 -0.05 0.00 2.86 -0.79 -1.63 114.93 116.09 2pa6 h MET 302 Ca 0.26 0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.82 2pa6 h MET 302 Cb 0.17 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 2pa6 h MET 302 CO -0.03 -0.14 -0.43 0.97 1.06 0.00 0.00 176.91 178.34 2pa6 h ILE 303 N -0.43 1.32 -0.47 -1.22 2.10 -1.30 -0.54 117.51 116.97 2pa6 h ILE 303 Ca -0.03 -1.54 -0.08 0.00 1.08 0.00 0.00 64.86 64.28 2pa6 h ILE 303 Cb 0.33 1.77 -0.02 0.00 -1.09 0.00 0.00 36.82 37.81 2pa6 h ILE 303 CO 0.06 0.45 -0.05 0.74 -1.08 0.00 0.00 178.15 178.26 2pa6 h THR 304 N 0.09 1.25 0.06 2.19 2.02 -1.04 -1.06 112.91 116.43 2pa6 h THR 304 Ca 0.01 -1.09 -0.24 0.00 0.77 0.00 0.00 66.41 65.85 2pa6 h THR 304 Cb 0.81 0.95 0.02 0.00 -1.74 0.00 0.00 68.15 68.19 2pa6 h THR 304 CO 0.06 0.38 -0.98 0.50 0.37 0.00 0.00 175.52 175.85 2pa6 h LYS 305 N 0.74 0.56 -0.13 6.66 3.64 -0.95 -3.35 116.57 123.73 2pa6 h LYS 305 Ca 0.13 -0.68 -0.16 0.00 -1.27 0.00 0.00 60.65 58.68 2pa6 h LYS 305 Cb 0.52 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 2pa6 h LYS 305 CO 0.03 1.28 -0.59 0.93 -2.27 0.00 0.00 179.45 178.83 2pa6 h GLU 306 N 0.14 0.44 -6.33 1.90 5.08 -1.04 -3.45 114.58 111.32 2pa6 h GLU 306 Ca -0.14 -0.29 -0.45 0.00 -1.00 0.00 0.00 59.36 57.47 2pa6 h GLU 306 Cb 1.67 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.96 2pa6 h GLU 306 CO 0.19 0.90 -0.33 -0.51 -1.00 0.00 0.00 179.01 178.25 2pa6 s LEU 307 N -8.17 4.10 -0.43 1.33 1.43 -0.41 -5.03 118.68 111.49 2pa6 s LEU 307 Ca -0.06 0.05 0.04 0.00 -1.03 0.00 0.00 54.13 53.14 2pa6 s LEU 307 Cb 0.11 -2.91 0.44 0.00 0.03 0.00 0.00 46.19 43.86 2pa6 s LEU 307 CO 0.83 -0.29 1.34 -0.67 0.23 0.00 0.00 176.35 177.79 2pa6 n ASP 308 N -1.60 5.43 -2.70 2.29 2.03 -1.26 -4.81 116.55 115.92 2pa6 n ASP 308 Ca -0.04 -3.75 -0.13 0.00 0.52 0.00 0.00 54.79 51.38 2pa6 n ASP 308 Cb 0.57 -0.52 -0.04 0.00 -0.72 0.00 0.00 41.12 40.41 2pa6 n ASP 308 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2pa6 n ILE 309 N -0.65 0.00 -2.93 5.18 -5.35 -1.26 -5.12 119.36 109.23 2pa6 n ILE 309 Ca 0.46 -1.30 -0.40 0.00 -0.27 0.00 0.00 62.75 61.23 2pa6 n ILE 309 Cb 0.77 0.50 -0.05 0.00 -1.74 0.00 0.00 39.64 39.12 2pa6 n ILE 309 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2pa6 s GLN 310 N -2.83 4.54 -0.26 6.28 0.74 -0.74 -4.97 119.66 122.42 2pa6 s GLN 310 Ca 0.13 1.14 0.02 0.00 0.05 0.00 0.00 55.36 56.70 2pa6 s GLN 310 Cb 0.01 -3.36 0.06 0.00 1.10 0.00 0.00 33.01 30.81 2pa6 s GLN 310 CO 0.09 0.27 -0.09 0.42 -0.55 0.00 0.00 175.29 175.44 2pa6 s ILE 311 N -0.06 2.02 -0.13 -2.34 -1.09 -1.26 -1.25 121.20 117.08 2pa6 s ILE 311 Ca 0.40 -1.57 -0.16 0.00 -2.23 0.00 0.00 60.65 57.09 2pa6 s ILE 311 Cb -0.21 -2.18 -0.04 0.00 -1.58 0.00 0.00 42.46 38.45 2pa6 s ILE 311 CO 0.24 -0.07 0.40 -0.69 -1.23 0.00 0.00 174.94 173.59 2pa6 s VAL 312 N 1.16 5.23 -0.27 2.92 1.01 -0.25 -1.42 120.40 128.79 2pa6 s VAL 312 Ca -0.07 0.79 -0.13 0.00 0.00 0.00 0.00 61.98 62.57 2pa6 s VAL 312 Cb -0.20 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 2pa6 s VAL 312 CO -0.06 0.36 0.31 -0.83 0.00 0.00 0.00 175.10 174.88 2pa6 s GLY 313 N 0.50 1.91 0.00 4.51 0.00 -0.45 -0.71 107.32 113.07 2pa6 s GLY 313 Ca 0.22 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 44.04 2pa6 s GLY 313 CO 0.08 0.85 0.00 1.34 0.00 0.00 0.00 173.10 175.37 2pa6 n ASP 314 N 5.19 0.00 0.24 1.64 2.03 -1.26 -1.70 116.55 122.69 2pa6 n ASP 314 Ca -0.10 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.28 2pa6 n ASP 314 Cb 0.51 0.00 0.59 0.00 -0.72 0.00 0.00 41.12 41.50 2pa6 n ASP 314 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2pa6 h ASP 315 N 0.00 0.00 -0.98 1.67 3.32 -1.95 0.84 116.42 119.33 2pa6 h ASP 315 Ca 0.00 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.07 2pa6 h ASP 315 Cb 0.00 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 2pa6 h ASP 315 CO 0.00 0.12 0.64 0.25 -1.72 0.00 0.00 179.24 178.53 2pa6 h LEU 316 N 0.00 1.10 0.00 1.55 5.85 -1.86 -3.26 115.31 118.68 2pa6 h LEU 316 Ca -0.00 -0.02 -0.20 0.00 0.84 0.00 0.00 57.88 58.50 2pa6 h LEU 316 Cb 0.22 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 2pa6 h LEU 316 CO 0.02 0.78 -2.02 0.49 -0.34 0.00 0.00 178.44 177.36 2pa6 n PHE 317 N -4.43 0.00 -4.43 1.25 3.72 -0.83 -4.89 117.46 107.86 2pa6 n PHE 317 Ca 0.12 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.15 2pa6 n PHE 317 Cb 0.04 -0.67 -0.08 0.00 -0.94 0.00 0.00 39.48 37.82 2pa6 n PHE 317 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2pa6 n VAL 318 N -2.44 -0.53 -4.26 -4.37 0.24 0.29 0.10 118.33 107.35 2pa6 n VAL 318 Ca -0.19 -0.21 -0.37 0.00 -2.04 0.00 0.00 64.34 61.53 2pa6 n VAL 318 Cb 0.84 -0.82 -0.03 0.00 -1.47 0.00 0.00 33.84 32.36 2pa6 n VAL 318 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2pa6 n THR 319 N -4.29 -0.99 -3.78 3.34 -1.04 -1.26 -4.67 114.28 101.58 2pa6 n THR 319 Ca -0.07 -0.04 -0.37 0.00 -2.04 0.00 0.00 64.05 61.54 2pa6 n THR 319 Cb 0.56 -1.57 -0.13 0.00 -1.82 0.00 0.00 70.33 67.37 2pa6 n THR 319 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2pa6 s ASN 320 N -3.35 5.00 0.23 8.00 3.84 0.11 -4.50 114.94 124.28 2pa6 s ASN 320 Ca 0.71 -0.38 -0.08 0.00 0.21 0.00 0.00 52.86 53.32 2pa6 s ASN 320 Cb -0.39 -1.88 0.38 0.00 -0.55 0.00 0.00 41.25 38.81 2pa6 s ASN 320 CO 0.94 -0.08 1.68 0.58 -2.79 0.00 0.00 177.10 177.43 2pa6 h VAL 321 N 5.66 0.53 -0.49 -5.21 2.07 -1.92 -0.20 116.25 116.69 2pa6 h VAL 321 Ca -0.37 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 2pa6 h VAL 321 Cb 1.16 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 2pa6 h VAL 321 CO 0.59 0.04 0.28 -0.08 0.02 0.00 0.00 177.57 178.42 2pa6 h GLU 322 N 0.23 0.68 -0.26 1.57 4.81 -1.95 -0.29 114.58 119.37 2pa6 h GLU 322 Ca 0.37 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.43 2pa6 h GLU 322 Cb 0.61 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 2pa6 h GLU 322 CO -0.49 0.53 -0.24 0.00 -0.73 0.00 0.00 179.01 178.07 2pa6 h ARG 323 N 0.66 0.50 -0.47 1.92 3.08 -1.69 -1.90 114.38 116.48 2pa6 h ARG 323 Ca 0.17 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 2pa6 h ARG 323 Cb 0.03 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2pa6 h ARG 323 CO -0.03 0.71 -0.09 1.25 -1.07 0.00 0.00 179.97 180.74 2pa6 h LEU 324 N 0.44 0.89 -0.64 3.04 5.85 -0.66 -1.51 115.31 122.72 2pa6 h LEU 324 Ca 0.07 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 2pa6 h LEU 324 Cb 0.66 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 2pa6 h LEU 324 CO 0.05 1.03 0.33 -0.09 -0.34 0.00 0.00 178.44 179.42 2pa6 h ARG 325 N 0.73 0.90 -0.58 1.25 2.43 -0.81 0.51 114.38 118.82 2pa6 h ARG 325 Ca 0.12 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2pa6 h ARG 325 Cb 0.63 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 2pa6 h ARG 325 CO 0.04 0.70 0.33 -0.22 -1.51 0.00 0.00 179.97 179.32 2pa6 h LYS 326 N 0.87 0.79 -0.55 0.20 3.64 -1.19 -1.36 116.57 118.97 2pa6 h LYS 326 Ca 0.22 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 2pa6 h LYS 326 Cb 0.08 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 2pa6 h LYS 326 CO -0.03 0.59 0.30 0.78 -2.27 0.00 0.00 179.45 178.81 2pa6 h GLY 327 N 0.78 0.83 1.00 5.01 0.00 -0.70 -2.27 103.07 107.72 2pa6 h GLY 327 Ca 0.21 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2pa6 h GLY 327 CO -0.04 0.37 0.35 -2.22 0.00 0.00 0.00 176.54 175.00 2pa6 h ILE 328 N 0.74 1.14 0.00 2.60 2.04 -0.51 0.18 117.51 123.70 2pa6 h ILE 328 Ca 0.19 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 2pa6 h ILE 328 Cb 0.06 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 2pa6 h ILE 328 CO -0.03 0.13 -0.16 -0.33 0.00 0.00 0.00 178.15 177.76 2pa6 h GLU 329 N 0.72 0.00 -0.02 2.37 5.08 -1.05 -2.01 114.58 119.67 2pa6 h GLU 329 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2pa6 h GLU 329 Cb -0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2pa6 h GLU 329 CO -0.04 0.16 -0.13 -1.33 -1.00 0.00 0.00 179.01 176.67 2pa6 n MET 330 N -4.00 1.87 -2.75 2.33 2.81 -0.84 -4.95 117.12 111.59 2pa6 n MET 330 Ca -0.02 -1.47 -0.20 0.00 -1.81 0.00 0.00 57.70 54.20 2pa6 n MET 330 Cb 0.25 -1.47 0.02 0.00 -0.71 0.00 0.00 33.22 31.30 2pa6 n MET 330 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2pa6 n LYS 331 N 0.72 -3.48 -3.02 0.03 4.76 0.29 -4.75 118.16 112.71 2pa6 n LYS 331 Ca 0.14 0.85 -0.42 0.00 -2.87 0.00 0.00 58.31 56.01 2pa6 n LYS 331 Cb 0.52 -5.48 -0.06 0.00 -1.84 0.00 0.00 35.03 28.17 2pa6 n LYS 331 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2pa6 s ALA 332 N -3.06 3.51 0.24 7.82 0.00 0.38 -4.24 121.76 126.41 2pa6 s ALA 332 Ca 0.18 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.57 2pa6 s ALA 332 Cb -0.08 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.81 2pa6 s ALA 332 CO 0.23 -1.20 0.00 0.00 0.00 0.00 0.00 175.76 174.78 2pa6 n ALA 333 N 6.10 -1.91 -2.10 0.00 0.00 -1.24 -4.54 120.51 116.81 2pa6 n ALA 333 Ca 0.01 0.34 0.01 0.00 0.00 0.00 0.00 53.44 53.81 2pa6 n ALA 333 Cb 0.48 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.21 2pa6 n ALA 333 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2pa6 n ASN 334 N -3.35 0.17 -3.58 0.00 0.23 -0.51 -4.96 115.26 103.28 2pa6 n ASN 334 Ca -0.02 -1.89 -0.17 0.00 -0.53 0.00 0.00 54.58 51.98 2pa6 n ASN 334 Cb 0.34 -0.18 -0.07 0.00 -2.08 0.00 0.00 39.78 37.79 2pa6 n ASN 334 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2pa6 s ALA 335 N 0.00 -1.62 -0.11 -2.53 0.00 -1.08 -0.70 121.76 115.72 2pa6 s ALA 335 Ca 0.07 1.32 0.01 0.00 0.00 0.00 0.00 51.96 53.35 2pa6 s ALA 335 Cb 0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 2pa6 s ALA 335 CO -0.04 -0.34 -0.13 -1.17 0.00 0.00 0.00 175.76 174.08 2pa6 s LEU 336 N -0.87 2.73 -0.38 0.00 2.96 0.16 -1.35 118.68 121.93 2pa6 s LEU 336 Ca -0.09 -0.30 -0.20 0.00 -0.22 0.00 0.00 54.13 53.32 2pa6 s LEU 336 Cb -0.02 -1.60 0.01 0.00 0.50 0.00 0.00 46.19 45.08 2pa6 s LEU 336 CO 0.07 0.21 0.62 -0.22 -1.32 0.00 0.00 176.35 175.71 2pa6 s LEU 337 N 0.11 4.35 -0.41 -0.68 2.96 -0.69 -0.80 118.68 123.52 2pa6 s LEU 337 Ca -0.06 -0.04 -0.19 0.00 -0.22 0.00 0.00 54.13 53.61 2pa6 s LEU 337 Cb -0.15 -2.73 0.02 0.00 0.50 0.00 0.00 46.19 43.82 2pa6 s LEU 337 CO 0.05 -0.64 0.57 -0.22 -1.32 0.00 0.00 176.35 174.79 2pa6 s LEU 338 N 2.70 4.52 -0.36 -0.68 2.96 0.43 -4.46 118.68 123.79 2pa6 s LEU 338 Ca 0.23 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 2pa6 s LEU 338 Cb -0.14 -2.64 0.10 0.00 0.50 0.00 0.00 46.19 44.01 2pa6 s LEU 338 CO 0.16 -0.66 0.10 -0.54 -1.32 0.00 0.00 176.35 174.09 2pa6 s LYS 339 N 2.59 1.73 0.32 1.98 1.02 -1.26 -0.75 119.74 125.37 2pa6 s LYS 339 Ca 0.20 -1.82 0.08 0.00 0.02 0.00 0.00 55.97 54.44 2pa6 s LYS 339 Cb -0.15 -3.35 0.79 0.00 -0.52 0.00 0.00 37.83 34.61 2pa6 s LYS 339 CO 0.16 -0.97 1.79 -0.39 -0.92 0.00 0.00 175.35 175.02 2pa6 h VAL 340 N 6.51 0.71 0.00 3.17 -1.51 -1.95 0.47 116.25 123.65 2pa6 h VAL 340 Ca -0.08 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 2pa6 h VAL 340 Cb 1.03 -0.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.12 2pa6 h VAL 340 CO 0.59 0.13 0.00 -0.46 -1.23 0.00 0.00 177.57 176.60 2pa6 n ASN 341 N -4.71 0.00 0.11 4.19 6.94 -1.26 -1.03 115.26 119.50 2pa6 n ASN 341 Ca 0.23 -0.85 0.10 0.00 -0.02 0.00 0.00 54.58 54.04 2pa6 n ASN 341 Cb 0.59 -0.01 0.02 0.00 -2.36 0.00 0.00 39.78 38.01 2pa6 n ASN 341 CO 0.00 0.00 0.00 -0.61 -1.03 0.00 0.00 177.26 175.62 2pa6 h GLN 342 N 0.00 0.00 0.00 -3.83 4.15 -1.22 -3.38 115.11 110.83 2pa6 h GLN 342 Ca 0.00 0.00 -0.22 0.00 0.77 0.00 0.00 58.65 59.20 2pa6 h GLN 342 Cb 0.01 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.66 2pa6 h GLN 342 CO 0.00 0.05 -1.82 1.51 -1.93 0.00 0.00 178.83 176.65 2pa6 n ILE 343 N -2.79 0.82 0.00 2.39 3.06 -0.93 -1.17 119.36 120.74 2pa6 n ILE 343 Ca -0.01 -0.34 0.00 0.00 -2.50 0.00 0.00 62.75 59.90 2pa6 n ILE 343 Cb 0.59 -0.96 0.00 0.00 0.54 0.00 0.00 39.64 39.81 2pa6 n ILE 343 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2pa6 n GLY 344 N 2.73 0.89 3.14 4.50 0.00 -0.19 -4.68 105.19 111.58 2pa6 n GLY 344 Ca -0.25 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 2pa6 n GLY 344 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pa6 s THR 345 N -1.01 0.65 0.16 2.61 -4.23 -1.26 -2.48 115.64 110.08 2pa6 s THR 345 Ca 0.00 -1.75 -0.13 0.00 -1.18 0.00 0.00 61.69 58.63 2pa6 s THR 345 Cb 0.00 -1.45 0.05 0.00 1.34 0.00 0.00 72.50 72.44 2pa6 s THR 345 CO 0.00 -0.77 1.71 -0.07 -0.54 0.00 0.00 174.62 174.95 2pa6 h LEU 346 N 3.30 0.73 -0.36 4.79 3.38 -1.91 -2.02 115.31 123.22 2pa6 h LEU 346 Ca -0.35 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.49 2pa6 h LEU 346 Cb 1.17 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 2pa6 h LEU 346 CO 0.60 0.70 0.11 0.28 0.09 0.00 0.00 178.44 180.22 2pa6 h SER 347 N 0.72 0.10 -0.50 -0.43 0.02 -1.96 -0.72 113.55 110.77 2pa6 h SER 347 Ca 0.18 0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 61.05 2pa6 h SER 347 Cb 0.20 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 2pa6 h SER 347 CO -0.01 0.09 -0.17 -0.33 -1.14 0.00 0.00 176.83 175.27 2pa6 h GLU 348 N 0.25 1.00 -0.51 3.45 5.08 -1.95 -1.79 114.58 120.11 2pa6 h GLU 348 Ca 0.17 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2pa6 h GLU 348 Cb 0.16 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2pa6 h GLU 348 CO -0.18 1.09 0.28 0.00 -1.00 0.00 0.00 179.01 179.20 2pa6 h ALA 349 N 0.89 0.66 -0.24 3.43 0.00 -1.02 -0.88 119.26 122.09 2pa6 h ALA 349 Ca 0.12 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2pa6 h ALA 349 Cb 0.75 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2pa6 h ALA 349 CO 0.06 0.17 -0.36 0.28 0.00 0.00 0.00 179.25 179.41 2pa6 h VAL 350 N 0.68 1.29 -0.67 0.00 2.07 -1.08 -1.55 116.25 116.99 2pa6 h VAL 350 Ca 0.18 -1.48 -0.05 0.00 0.82 0.00 0.00 66.70 66.17 2pa6 h VAL 350 Cb 0.04 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 2pa6 h VAL 350 CO -0.03 0.47 0.21 0.44 0.02 0.00 0.00 177.57 178.67 2pa6 h ASP 351 N 0.45 0.96 -0.56 0.57 3.32 -0.96 -0.20 116.42 119.99 2pa6 h ASP 351 Ca 0.05 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 56.85 2pa6 h ASP 351 Cb 0.83 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 2pa6 h ASP 351 CO 0.07 0.89 0.03 0.00 -1.72 0.00 0.00 179.24 178.52 2pa6 h ALA 352 N 1.23 0.75 -0.52 3.45 0.00 -0.83 -1.47 119.26 121.88 2pa6 h ALA 352 Ca 0.22 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2pa6 h ALA 352 Cb 0.28 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2pa6 h ALA 352 CO -0.01 0.55 0.26 0.00 0.00 0.00 0.00 179.25 180.05 2pa6 h ALA 353 N 0.98 0.67 -0.59 0.00 0.00 -0.81 -2.03 119.26 117.48 2pa6 h ALA 353 Ca 0.16 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2pa6 h ALA 353 Cb 0.50 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2pa6 h ALA 353 CO 0.02 0.22 0.22 1.96 0.00 0.00 0.00 179.25 181.67 2pa6 h GLN 354 N 0.69 0.89 -0.79 0.00 1.08 -0.83 0.77 115.11 116.93 2pa6 h GLN 354 Ca 0.18 -0.17 0.03 0.00 -1.45 0.00 0.00 58.65 57.24 2pa6 h GLN 354 Cb 0.10 -0.14 -0.05 0.00 -0.05 0.00 0.00 27.48 27.34 2pa6 h GLN 354 CO -0.02 0.78 0.50 1.25 -0.95 0.00 0.00 178.83 180.38 2pa6 h LEU 355 N 0.82 0.83 0.38 1.46 5.85 -1.04 0.19 115.31 123.78 2pa6 h LEU 355 Ca 0.19 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 2pa6 h LEU 355 Cb 0.23 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.08 2pa6 h LEU 355 CO -0.01 0.57 -0.18 0.00 -0.34 0.00 0.00 178.44 178.48 2pa6 h ALA 356 N 1.33 -0.50 -0.41 1.25 0.00 -0.96 -3.09 119.26 116.87 2pa6 h ALA 356 Ca 0.31 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.13 2pa6 h ALA 356 Cb 0.01 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 17.91 2pa6 h ALA 356 CO -0.11 -0.65 -0.18 0.74 0.00 0.00 0.00 179.25 179.05 2pa6 h PHE 357 N -0.78 -0.46 0.00 0.00 0.04 -0.61 -0.14 116.94 114.99 2pa6 h PHE 357 Ca -0.05 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2pa6 h PHE 357 Cb 0.52 0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.94 2pa6 h PHE 357 CO 0.01 -0.27 0.00 0.54 -0.60 0.00 0.00 178.31 177.99 2pa6 n ARG 358 N -5.37 0.24 -0.28 1.51 1.74 0.03 -1.89 116.66 112.64 2pa6 n ARG 358 Ca 0.02 0.12 0.08 0.00 -0.77 0.00 0.00 57.85 57.31 2pa6 n ARG 358 Cb 0.28 -1.50 0.17 0.00 -1.02 0.00 0.00 32.46 30.39 2pa6 n ARG 358 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2pa6 n ASN 359 N -1.21 2.15 -0.00 0.55 3.02 -0.60 -4.97 115.26 114.20 2pa6 n ASN 359 Ca 0.07 -3.40 -0.00 0.00 -0.03 0.00 0.00 54.58 51.22 2pa6 n ASN 359 Cb 0.08 -0.47 -0.00 0.00 -0.61 0.00 0.00 39.78 38.78 2pa6 n ASN 359 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pa6 n GLY 360 N -1.30 0.42 3.85 7.41 0.00 -0.79 -5.03 105.19 109.75 2pa6 n GLY 360 Ca 0.17 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 2pa6 n GLY 360 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pa6 s TYR 361 N -1.84 3.53 0.65 1.61 1.51 -0.17 -4.90 117.35 117.76 2pa6 s TYR 361 Ca 0.00 1.04 -0.07 0.00 -1.01 0.00 0.00 57.07 57.03 2pa6 s TYR 361 Cb 0.00 -2.37 0.03 0.00 -0.11 0.00 0.00 41.96 39.51 2pa6 s TYR 361 CO 0.00 0.35 0.98 0.20 -1.11 0.00 0.00 175.55 175.97 2pa6 s GLY 362 N -1.95 1.63 -0.08 0.71 0.00 0.12 -3.65 107.32 104.11 2pa6 s GLY 362 Ca 0.42 -0.69 -0.01 0.00 0.00 0.00 0.00 44.72 44.44 2pa6 s GLY 362 CO 0.20 -0.35 -0.02 0.14 0.00 0.00 0.00 173.10 173.07 2pa6 s VAL 363 N -3.16 0.53 -0.38 1.40 1.01 -1.26 -0.66 120.40 117.88 2pa6 s VAL 363 Ca 0.57 0.01 -0.09 0.00 0.00 0.00 0.00 61.98 62.48 2pa6 s VAL 363 Cb -0.11 -0.65 0.05 0.00 0.00 0.00 0.00 36.38 35.68 2pa6 s VAL 363 CO 0.46 0.28 0.19 -0.69 0.00 0.00 0.00 175.10 175.34 2pa6 s VAL 364 N 1.83 4.14 -0.01 2.92 1.01 0.02 -4.38 120.40 125.92 2pa6 s VAL 364 Ca 0.04 -1.16 -0.30 0.00 0.00 0.00 0.00 61.98 60.55 2pa6 s VAL 364 Cb -0.12 -3.41 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 2pa6 s VAL 364 CO -0.05 -0.31 1.35 -0.69 0.00 0.00 0.00 175.10 175.39 2pa6 s VAL 365 N 1.45 3.83 0.20 2.92 1.01 -1.15 -0.42 120.40 128.23 2pa6 s VAL 365 Ca 0.01 1.21 0.10 0.00 0.00 0.00 0.00 61.98 63.30 2pa6 s VAL 365 Cb -0.21 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 2pa6 s VAL 365 CO 0.04 0.00 -0.21 -0.55 0.00 0.00 0.00 175.10 174.38 2pa6 s SER 366 N 1.74 3.16 0.62 3.32 0.15 0.07 -1.20 113.70 121.56 2pa6 s SER 366 Ca 0.62 -0.91 -0.01 0.00 0.70 0.00 0.00 55.95 56.35 2pa6 s SER 366 Cb -0.30 -0.22 0.09 0.00 -1.71 0.00 0.00 66.02 63.87 2pa6 s SER 366 CO 0.26 0.03 0.58 0.00 1.20 0.00 0.00 173.24 175.31 2pa6 n HIS 367 N 0.03 -3.20 -4.45 3.44 1.44 -0.66 -4.68 115.22 107.14 2pa6 n HIS 367 Ca -0.11 -0.97 -0.22 0.00 -2.01 0.00 0.00 57.72 54.42 2pa6 n HIS 367 Cb 0.58 -0.42 -0.10 0.00 0.12 0.00 0.00 29.99 30.16 2pa6 n HIS 367 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2pa6 s ARG 368 N -3.98 1.59 0.26 -1.40 1.81 -1.26 -4.99 118.95 110.99 2pa6 s ARG 368 Ca 0.38 -1.81 -0.03 0.00 -1.72 0.00 0.00 55.73 52.55 2pa6 s ARG 368 Cb -0.02 -1.22 0.40 0.00 -0.45 0.00 0.00 34.95 33.65 2pa6 s ARG 368 CO 0.25 0.05 1.88 0.77 -0.68 0.00 0.00 175.30 177.57 2pa6 h SER 369 N 2.24 1.02 -3.28 0.23 0.02 -1.98 -3.32 113.55 108.47 2pa6 h SER 369 Ca -0.40 0.01 -0.74 0.00 -0.84 0.00 0.00 61.79 59.82 2pa6 h SER 369 Cb 1.24 -0.21 -0.23 0.00 0.14 0.00 0.00 62.40 63.34 2pa6 h SER 369 CO 0.68 0.65 -0.33 -0.83 -1.14 0.00 0.00 176.83 175.86 2pa6 s GLY 370 N -3.29 2.05 0.56 -3.77 0.00 -1.26 -4.73 107.32 96.88 2pa6 s GLY 370 Ca -0.12 -2.19 0.06 0.00 0.00 0.00 0.00 44.72 42.46 2pa6 s GLY 370 CO 0.81 1.07 0.48 -0.54 0.00 0.00 0.00 173.10 174.92 2pa6 s GLU 371 N 1.61 2.24 0.21 2.90 0.41 -1.25 -0.52 118.70 124.30 2pa6 s GLU 371 Ca 0.04 -2.00 0.04 0.00 -0.41 0.00 0.00 54.97 52.64 2pa6 s GLU 371 Cb -0.25 -2.18 -0.02 0.00 -1.78 0.00 0.00 34.13 29.91 2pa6 s GLU 371 CO 0.05 -0.71 0.15 0.25 -0.49 0.00 0.00 175.26 174.51 2pa6 n THR 372 N -1.89 0.00 1.56 3.63 -2.24 -1.26 0.32 114.28 114.40 2pa6 n THR 372 Ca 0.01 -1.43 0.13 0.00 -2.27 0.00 0.00 64.05 60.49 2pa6 n THR 372 Cb 0.64 0.67 0.76 0.00 -2.10 0.00 0.00 70.33 70.29 2pa6 n THR 372 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2pa6 n GLU 373 N -0.42 0.72 -2.10 -0.78 0.00 -1.26 -4.56 120.64 112.24 2pa6 n GLU 373 Ca 0.03 0.01 -0.40 0.00 0.00 0.00 0.00 57.16 56.79 2pa6 n GLU 373 Cb 0.36 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.28 2pa6 n GLU 373 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2pa6 s ASP 374 N -2.14 6.69 -0.13 -1.84 -1.08 -1.26 -4.94 116.67 111.97 2pa6 s ASP 374 Ca 0.36 2.69 0.18 0.00 -0.52 0.00 0.00 52.55 55.26 2pa6 s ASP 374 Cb 0.18 -2.65 0.28 0.00 -1.46 0.00 0.00 42.92 39.27 2pa6 s ASP 374 CO 0.33 -0.59 1.15 0.35 0.52 0.00 0.00 175.17 176.93 2pa6 n THR 375 N 0.68 1.81 -0.35 1.71 -2.24 -1.26 -4.83 114.28 109.80 2pa6 n THR 375 Ca 0.01 -2.19 0.13 0.00 -2.27 0.00 0.00 64.05 59.73 2pa6 n THR 375 Cb 0.42 -0.20 0.32 0.00 -2.10 0.00 0.00 70.33 68.77 2pa6 n THR 375 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2pa6 h THR 376 N 0.37 0.69 0.00 4.28 2.02 -1.95 -0.93 112.91 117.39 2pa6 h THR 376 Ca -0.00 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 2pa6 h THR 376 Cb 1.02 -0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 2pa6 h THR 376 CO 0.00 0.13 -0.04 0.16 0.37 0.00 0.00 175.52 176.14 2pa6 h ILE 377 N 0.74 0.29 0.16 3.11 3.07 -1.96 0.12 117.51 123.04 2pa6 h ILE 377 Ca 0.58 -0.28 -0.01 0.00 1.55 0.00 0.00 64.86 66.71 2pa6 h ILE 377 Cb 0.93 1.21 0.00 0.00 -0.27 0.00 0.00 36.82 38.69 2pa6 h ILE 377 CO -0.39 0.04 -0.08 0.00 -1.05 0.00 0.00 178.15 176.67 2pa6 h ALA 378 N 1.96 -0.21 -0.58 0.16 0.00 -1.49 -1.16 119.26 117.93 2pa6 h ALA 378 Ca -0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2pa6 h ALA 378 Cb 0.20 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2pa6 h ALA 378 CO 0.01 -0.44 0.25 -0.44 0.00 0.00 0.00 179.25 178.62 2pa6 h ASP 379 N -0.57 0.75 -0.55 0.00 5.19 -1.44 -2.83 116.42 116.97 2pa6 h ASP 379 Ca -0.02 -0.09 -0.07 0.00 -0.62 0.00 0.00 57.03 56.23 2pa6 h ASP 379 Cb 0.43 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.73 2pa6 h ASP 379 CO 0.04 0.67 0.06 0.25 -3.12 0.00 0.00 179.24 177.13 2pa6 h LEU 380 N 0.82 0.91 -1.43 1.55 5.85 -0.89 0.75 115.31 122.88 2pa6 h LEU 380 Ca 0.20 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 2pa6 h LEU 380 Cb 0.14 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2pa6 h LEU 380 CO -0.02 0.96 0.17 0.77 -0.34 0.00 0.00 178.44 179.98 2pa6 h SER 381 N 0.83 0.50 0.15 1.25 4.64 -0.97 -0.38 113.55 119.56 2pa6 h SER 381 Ca 0.16 -0.05 -0.30 0.00 -0.47 0.00 0.00 61.79 61.14 2pa6 h SER 381 Cb 0.46 -0.13 0.03 0.00 -0.31 0.00 0.00 62.40 62.45 2pa6 h SER 381 CO 0.02 0.45 -1.25 0.58 -0.87 0.00 0.00 176.83 175.75 2pa6 h VAL 382 N 0.56 1.30 -0.99 0.95 2.07 -1.33 -1.34 116.25 117.47 2pa6 h VAL 382 Ca 0.14 -2.50 0.05 0.00 0.82 0.00 0.00 66.70 65.21 2pa6 h VAL 382 Cb 0.10 2.80 -0.06 0.00 -1.52 0.00 0.00 31.29 32.60 2pa6 h VAL 382 CO -0.02 0.75 0.65 0.00 0.02 0.00 0.00 177.57 178.97 2pa6 h ALA 383 N 0.24 1.39 -0.00 1.67 0.00 -0.43 -1.32 119.26 120.81 2pa6 h ALA 383 Ca -0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2pa6 h ALA 383 Cb 1.94 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2pa6 h ALA 383 CO 0.24 0.48 -0.27 1.28 0.00 0.00 0.00 179.25 180.98 2pa6 n LEU 384 N -4.47 0.59 -3.98 0.00 4.77 -0.19 -4.21 117.00 109.51 2pa6 n LEU 384 Ca 0.14 -0.02 -0.29 0.00 -0.03 0.00 0.00 56.01 55.82 2pa6 n LEU 384 Cb 0.15 -0.22 -0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2pa6 n LEU 384 CO 0.33 0.12 -0.05 0.59 -1.33 0.00 0.00 177.39 177.05 2pa6 n ASN 385 N -1.11 -2.61 0.19 -1.43 5.03 -0.50 -4.84 115.26 109.99 2pa6 n ASN 385 Ca 0.10 -0.91 0.04 0.00 0.87 0.00 0.00 54.58 54.68 2pa6 n ASN 385 Cb 0.32 -3.38 0.45 0.00 -1.02 0.00 0.00 39.78 36.15 2pa6 n ASN 385 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 2pa6 h SER 386 N -1.83 0.06 0.00 6.41 4.64 -1.58 -3.45 113.55 117.80 2pa6 h SER 386 Ca -0.60 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.71 2pa6 h SER 386 Cb 1.38 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 2pa6 h SER 386 CO 0.67 0.27 0.00 0.61 -0.87 0.00 0.00 176.83 177.51 2pa6 n GLY 387 N -0.87 2.70 3.30 -0.77 0.00 -1.26 -4.54 105.19 103.74 2pa6 n GLY 387 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 2pa6 n GLY 387 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2pa6 s GLN 388 N -0.10 0.62 -0.01 1.61 -2.07 -1.26 -0.60 119.66 117.85 2pa6 s GLN 388 Ca 0.00 0.22 -0.06 0.00 -1.82 0.00 0.00 55.36 53.70 2pa6 s GLN 388 Cb 0.00 0.29 0.00 0.00 -1.09 0.00 0.00 33.01 32.21 2pa6 s GLN 388 CO 0.00 -0.14 0.12 -1.50 -1.32 0.00 0.00 175.29 172.45 2pa6 s ILE 389 N -0.57 0.06 -0.32 3.63 2.07 -0.71 -2.96 121.20 122.40 2pa6 s ILE 389 Ca -0.07 -0.50 0.02 0.00 -1.41 0.00 0.00 60.65 58.69 2pa6 s ILE 389 Cb -0.04 -0.34 0.10 0.00 0.13 0.00 0.00 42.46 42.31 2pa6 s ILE 389 CO 0.03 -0.27 0.06 -0.75 -1.91 0.00 0.00 174.94 172.10 2pa6 s LYS 390 N -0.94 1.21 -0.06 3.50 2.20 -0.34 -0.67 119.74 124.64 2pa6 s LYS 390 Ca -0.10 -1.52 0.20 0.00 -0.36 0.00 0.00 55.97 54.19 2pa6 s LYS 390 Cb -0.06 -2.71 0.39 0.00 -1.51 0.00 0.00 37.83 33.94 2pa6 s LYS 390 CO 0.01 -0.93 1.17 -2.37 -0.36 0.00 0.00 175.35 172.87 2pa6 n THR 391 N 4.50 0.67 0.00 3.43 5.66 -1.26 -1.66 114.28 125.62 2pa6 n THR 391 Ca 0.01 -1.58 0.00 0.00 -3.05 0.00 0.00 64.05 59.43 2pa6 n THR 391 Cb 0.42 0.58 0.00 0.00 -1.55 0.00 0.00 70.33 69.78 2pa6 n THR 391 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2pa6 n GLY 392 N -0.05 0.63 3.79 1.09 0.00 -1.26 -4.62 105.19 104.77 2pa6 n GLY 392 Ca 0.09 -2.07 -0.30 0.00 0.00 0.00 0.00 46.02 43.74 2pa6 n GLY 392 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pa6 s ALA 393 N -1.28 2.23 -0.07 4.61 0.00 -0.63 -4.00 121.76 122.63 2pa6 s ALA 393 Ca 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 51.96 51.86 2pa6 s ALA 393 Cb 0.00 -3.16 -0.26 0.00 0.00 0.00 0.00 23.12 19.70 2pa6 s ALA 393 CO 0.00 -1.72 3.52 -0.35 0.00 0.00 0.00 175.76 177.21 2pa6 n PRO 394 N -3.45 2.01 -3.63 0.00 -0.04 -1.26 -4.62 135.00 124.02 2pa6 n PRO 394 Ca 0.07 -1.02 -0.14 0.00 -0.04 0.00 0.00 63.50 62.37 2pa6 n PRO 394 Cb 0.55 -2.02 -0.06 0.00 -0.04 0.00 0.00 33.50 31.93 2pa6 n PRO 394 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pa6 s ALA 395 N 1.11 -1.20 0.00 0.55 0.00 -1.26 -4.94 121.76 116.02 2pa6 s ALA 395 Ca 0.65 0.57 0.00 0.00 0.00 0.00 0.00 51.96 53.18 2pa6 s ALA 395 Cb 0.31 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.68 2pa6 s ALA 395 CO -0.00 -0.43 0.00 0.54 0.00 0.00 0.00 175.76 175.87 2pa6 n ARG 396 N 0.66 0.00 -0.28 0.00 1.74 -1.26 -4.46 116.66 113.07 2pa6 n ARG 396 Ca -0.19 0.28 0.23 0.00 -0.77 0.00 0.00 57.85 57.40 2pa6 n ARG 396 Cb 0.59 0.00 0.56 0.00 -1.02 0.00 0.00 32.46 32.59 2pa6 n ARG 396 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2pa6 h GLY 397 N 0.00 0.82 2.00 -0.13 0.00 -1.98 0.83 103.07 104.61 2pa6 h GLY 397 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2pa6 h GLY 397 CO 0.00 -0.06 0.00 -1.84 0.00 0.00 0.00 176.54 174.64 2pa6 n GLU 398 N -4.50 0.03 -0.10 4.80 0.00 -1.26 -1.37 120.64 118.24 2pa6 n GLU 398 Ca 0.22 0.24 -0.20 0.00 0.00 0.00 0.00 57.16 57.42 2pa6 n GLU 398 Cb 0.86 -1.55 -0.07 0.00 0.00 0.00 0.00 31.44 30.69 2pa6 n GLU 398 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2pa6 n ARG 399 N -1.59 0.43 0.29 3.44 5.12 0.14 -4.56 116.66 119.91 2pa6 n ARG 399 Ca 0.04 0.19 0.13 0.00 -1.93 0.00 0.00 57.85 56.27 2pa6 n ARG 399 Cb 0.20 -1.22 0.84 0.00 -1.16 0.00 0.00 32.46 31.12 2pa6 n ARG 399 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 2pa6 h THR 400 N -0.73 0.66 -0.46 0.55 1.35 -1.15 -1.10 112.91 112.03 2pa6 h THR 400 Ca -0.44 -0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.38 2pa6 h THR 400 Cb 1.35 1.00 -0.02 0.00 -1.73 0.00 0.00 68.15 68.74 2pa6 h THR 400 CO -0.27 0.00 0.14 0.00 -0.25 0.00 0.00 175.52 175.14 2pa6 h ALA 401 N 2.00 1.38 -0.22 6.62 0.00 -1.47 0.10 119.26 127.68 2pa6 h ALA 401 Ca -0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 2pa6 h ALA 401 Cb 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2pa6 h ALA 401 CO 0.00 0.45 -0.17 0.87 0.00 0.00 0.00 179.25 180.40 2pa6 h LYS 402 N 0.66 0.50 -0.94 0.00 6.56 -1.44 -1.87 116.57 120.03 2pa6 h LYS 402 Ca 0.16 -0.24 0.01 0.00 -1.06 0.00 0.00 60.65 59.51 2pa6 h LYS 402 Cb 0.21 -0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 31.82 2pa6 h LYS 402 CO -0.01 0.81 0.62 1.88 -2.06 0.00 0.00 179.45 180.69 2pa6 h TYR 403 N 0.19 1.20 -0.56 -1.35 0.05 -1.33 -0.34 116.97 114.82 2pa6 h TYR 403 Ca 0.04 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.77 2pa6 h TYR 403 Cb 0.70 -0.40 -0.02 0.00 1.01 0.00 0.00 36.73 38.01 2pa6 h TYR 403 CO 0.07 0.76 0.07 -0.91 -1.05 0.00 0.00 178.16 177.11 2pa6 h ASN 404 N 1.28 0.87 -0.60 3.88 2.35 -0.90 -1.25 115.58 121.22 2pa6 h ASN 404 Ca 0.34 -0.20 -0.10 0.00 -0.55 0.00 0.00 56.30 55.80 2pa6 h ASN 404 Cb -0.13 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 37.98 2pa6 h ASN 404 CO -0.07 0.89 -0.01 -0.61 -1.65 0.00 0.00 177.43 175.98 2pa6 h GLN 405 N 0.86 1.07 -0.66 0.81 5.75 -0.62 -0.53 115.11 121.80 2pa6 h GLN 405 Ca 0.17 -0.35 -0.01 0.00 -0.15 0.00 0.00 58.65 58.31 2pa6 h GLN 405 Cb 0.41 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.83 2pa6 h GLN 405 CO 0.01 1.05 0.36 -0.07 -2.65 0.00 0.00 178.83 177.53 2pa6 h LEU 406 N 0.98 0.82 -0.92 -2.39 3.38 -0.69 0.08 115.31 116.57 2pa6 h LEU 406 Ca 0.17 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2pa6 h LEU 406 Cb 0.58 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 2pa6 h LEU 406 CO 0.03 0.68 0.58 0.40 0.09 0.00 0.00 178.44 180.23 2pa6 h ILE 407 N 0.90 1.24 -0.36 1.22 2.04 -0.80 -0.44 117.51 121.30 2pa6 h ILE 407 Ca 0.23 -0.48 -0.05 0.00 1.00 0.00 0.00 64.86 65.56 2pa6 h ILE 407 Cb 0.04 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.03 2pa6 h ILE 407 CO -0.04 0.24 0.03 0.03 0.00 0.00 0.00 178.15 178.42 2pa6 h ARG 408 N 1.25 0.62 -0.49 2.37 3.08 -0.39 -2.21 114.38 118.61 2pa6 h ARG 408 Ca 0.33 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 2pa6 h ARG 408 Cb -0.10 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 2pa6 h ARG 408 CO -0.07 0.70 0.22 0.82 -1.07 0.00 0.00 179.97 180.58 2pa6 h ILE 409 N 0.45 1.20 -0.92 2.04 2.04 -0.68 -0.46 117.51 121.18 2pa6 h ILE 409 Ca 0.11 -0.58 0.04 0.00 1.00 0.00 0.00 64.86 65.43 2pa6 h ILE 409 Cb 0.40 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 37.10 2pa6 h ILE 409 CO 0.01 0.22 0.59 -0.08 0.00 0.00 0.00 178.15 178.90 2pa6 h GLU 410 N 0.65 1.10 -0.24 2.37 4.81 -0.98 -0.95 114.58 121.34 2pa6 h GLU 410 Ca 0.17 -0.07 -0.18 0.00 -0.13 0.00 0.00 59.36 59.15 2pa6 h GLU 410 Cb 0.15 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 2pa6 h GLU 410 CO -0.02 0.73 -0.58 1.96 -0.73 0.00 0.00 179.01 180.36 2pa6 h GLN 411 N 1.13 0.77 -0.23 1.92 4.20 -1.06 -3.17 115.11 118.68 2pa6 h GLN 411 Ca 0.37 -0.51 -0.07 0.00 0.06 0.00 0.00 58.65 58.50 2pa6 h GLN 411 Cb 0.04 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2pa6 h GLN 411 CO -0.13 1.14 -0.18 1.49 -0.67 0.00 0.00 178.83 180.48 2pa6 h GLU 412 N 0.58 0.40 -0.74 1.46 4.81 -0.59 -3.10 114.58 117.40 2pa6 h GLU 412 Ca 0.00 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.05 2pa6 h GLU 412 Cb 1.18 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 2pa6 h GLU 412 CO 0.12 0.57 0.22 -0.07 -0.73 0.00 0.00 179.01 179.13 2pa6 h LEU 413 N 0.37 1.08 0.00 1.64 3.38 -1.16 -3.47 115.31 117.15 2pa6 h LEU 413 Ca 0.06 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2pa6 h LEU 413 Cb 0.53 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2pa6 h LEU 413 CO 0.03 1.00 0.00 0.61 0.09 0.00 0.00 178.44 180.18 2pa6 n GLY 414 N -0.75 2.16 3.39 0.83 0.00 -1.18 -4.73 105.19 104.91 2pa6 n GLY 414 Ca 0.06 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 2pa6 n GLY 414 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pa6 s LEU 415 N 0.00 4.69 0.23 0.99 1.02 -1.26 -5.02 118.68 119.32 2pa6 s LEU 415 Ca 0.00 -0.93 0.02 0.00 0.02 0.00 0.00 54.13 53.24 2pa6 s LEU 415 Cb 0.00 -2.03 -0.05 0.00 0.02 0.00 0.00 46.19 44.13 2pa6 s LEU 415 CO 0.00 -0.37 0.05 -0.94 0.02 0.00 0.00 176.35 175.11 2pa6 s SER 416 N 1.57 1.35 -0.09 2.29 1.04 -1.26 -4.96 113.70 113.64 2pa6 s SER 416 Ca 0.03 -1.28 0.01 0.00 0.48 0.00 0.00 55.95 55.18 2pa6 s SER 416 Cb -0.19 0.11 0.02 0.00 0.10 0.00 0.00 66.02 66.06 2pa6 s SER 416 CO 0.07 -0.63 -0.09 -0.75 0.98 0.00 0.00 173.24 172.82 2pa6 s LYS 417 N -3.96 1.52 -0.20 4.02 2.20 -0.58 -5.01 119.74 117.73 2pa6 s LYS 417 Ca 0.32 -0.29 -0.22 0.00 -0.36 0.00 0.00 55.97 55.41 2pa6 s LYS 417 Cb 0.07 -1.45 -0.02 0.00 -1.51 0.00 0.00 37.83 34.92 2pa6 s LYS 417 CO 0.10 -0.15 0.69 -0.47 -0.36 0.00 0.00 175.35 175.16 2pa6 s TYR 418 N 1.28 3.37 0.32 4.03 5.04 -1.26 0.09 117.35 130.21 2pa6 s TYR 418 Ca -0.03 1.01 0.07 0.00 -2.44 0.00 0.00 57.07 55.68 2pa6 s TYR 418 Cb -0.14 -2.87 0.76 0.00 0.35 0.00 0.00 41.96 40.06 2pa6 s TYR 418 CO -0.03 -0.22 1.79 0.00 -1.34 0.00 0.00 175.55 175.75 2pa6 h ALA 419 N 7.50 1.73 -0.79 3.97 0.00 -1.60 -3.46 119.26 126.61 2pa6 h ALA 419 Ca -0.30 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2pa6 h ALA 419 Cb 1.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2pa6 h ALA 419 CO 0.80 -0.08 0.00 0.41 0.00 0.00 0.00 179.25 180.38 2pa6 n GLY 420 N -1.36 3.36 0.00 0.00 0.00 -1.26 -1.32 105.19 104.61 2pa6 n GLY 420 Ca 0.22 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.26 2pa6 n GLY 420 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pa6 n ARG 421 N 14.00 0.05 -1.34 1.61 1.74 -1.18 -2.73 116.66 128.81 2pa6 n ARG 421 Ca 0.00 0.14 -0.33 0.00 -0.77 0.00 0.00 57.85 56.89 2pa6 n ARG 421 Cb 0.00 -1.50 0.09 0.00 -1.02 0.00 0.00 32.46 30.03 2pa6 n ARG 421 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2pa6 n ASN 422 N -1.46 6.96 0.26 0.55 3.02 -0.43 -4.68 115.26 119.47 2pa6 n ASN 422 Ca 0.06 -3.76 0.09 0.00 -0.03 0.00 0.00 54.58 50.93 2pa6 n ASN 422 Cb 0.23 -0.92 0.66 0.00 -0.61 0.00 0.00 39.78 39.13 2pa6 n ASN 422 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 2pa6 h PHE 423 N 1.86 0.00 -0.08 3.10 -5.15 -1.59 -2.00 116.94 113.08 2pa6 h PHE 423 Ca 0.60 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 58.32 2pa6 h PHE 423 Cb 1.15 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.32 2pa6 h PHE 423 CO 1.43 0.06 -0.13 0.00 -2.00 0.00 0.00 178.31 177.67 2pa6 h ARG 424 N 0.00 0.23 -2.57 6.09 3.08 -1.85 -3.37 114.38 115.98 2pa6 h ARG 424 Ca -0.00 -0.14 -0.58 0.00 0.07 0.00 0.00 59.98 59.34 2pa6 h ARG 424 Cb 0.12 0.01 -0.39 0.00 0.08 0.00 0.00 29.97 29.80 2pa6 h ARG 424 CO 0.01 0.71 -0.85 0.00 -1.07 0.00 0.00 179.97 178.76 2pa6 n PRO 426 N 4.04 0.82 0.00 0.00 -0.04 -0.77 -4.90 135.00 134.16 2pa6 n PRO 426 Ca 0.12 -0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2pa6 n PRO 426 Cb 0.37 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 2pa6 n PRO 426 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65