#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dfa s PHE 2 N 0.00 0.84 1.13 0.00 0.08 -1.26 -1.51 117.98 117.26 1dfa s PHE 2 Ca 0.00 -0.18 -0.16 0.00 0.12 0.00 0.00 56.93 56.71 1dfa s PHE 2 Cb 0.00 -0.53 0.18 0.00 -0.57 0.00 0.00 43.02 42.10 1dfa s PHE 2 CO 0.00 -0.01 0.45 0.00 -0.10 0.00 0.00 175.22 175.55 1dfa n ALA 3 N 2.73 -3.54 -2.46 5.36 0.00 -0.34 -1.17 120.51 121.09 1dfa n ALA 3 Ca -0.14 -1.21 -0.42 0.00 0.00 0.00 0.00 53.44 51.67 1dfa n ALA 3 Cb 0.57 -1.73 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 1dfa n ALA 3 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1dfa s LYS 4 N -3.85 4.38 0.00 0.00 2.20 -1.26 -3.56 119.74 117.65 1dfa s LYS 4 Ca 0.61 1.69 0.00 0.00 -0.36 0.00 0.00 55.97 57.91 1dfa s LYS 4 Cb -0.18 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.63 1dfa s LYS 4 CO 0.66 -0.39 0.00 0.41 -0.36 0.00 0.00 175.35 175.67 1dfa n GLY 5 N 3.32 0.76 3.67 5.54 0.00 -1.26 -5.07 105.19 112.14 1dfa n GLY 5 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1dfa n GLY 5 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dfa s THR 6 N -2.00 3.62 -0.04 2.61 2.01 -1.23 -4.69 115.64 115.92 1dfa s THR 6 Ca 0.00 0.83 -0.26 0.00 0.31 0.00 0.00 61.69 62.57 1dfa s THR 6 Cb 0.00 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 1dfa s THR 6 CO 0.00 -0.06 0.81 0.20 -0.69 0.00 0.00 174.62 174.89 1dfa s ASN 7 N 2.90 7.14 0.22 3.53 0.02 -1.26 0.14 114.94 127.62 1dfa s ASN 7 Ca 0.70 1.38 0.10 0.00 -1.02 0.00 0.00 52.86 54.02 1dfa s ASN 7 Cb -0.32 -2.48 -0.04 0.00 0.02 0.00 0.00 41.25 38.43 1dfa s ASN 7 CO 0.28 -0.17 -0.12 0.68 0.02 0.00 0.00 177.10 177.79 1dfa s VAL 8 N 0.86 2.99 -0.08 1.60 -7.23 -0.59 -0.93 120.40 117.03 1dfa s VAL 8 Ca 0.43 -1.89 -0.20 0.00 -1.81 0.00 0.00 61.98 58.52 1dfa s VAL 8 Cb -0.19 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 1dfa s VAL 8 CO 0.22 -0.21 0.54 -0.22 -0.31 0.00 0.00 175.10 175.13 1dfa s LEU 9 N -3.08 4.32 0.13 1.32 0.20 -0.99 -2.54 118.68 118.04 1dfa s LEU 9 Ca 0.26 0.96 -0.10 0.00 0.69 0.00 0.00 54.13 55.94 1dfa s LEU 9 Cb -0.08 -2.82 -0.06 0.00 -0.43 0.00 0.00 46.19 42.81 1dfa s LEU 9 CO 0.15 0.00 0.46 -0.04 -0.29 0.00 0.00 176.35 176.63 1dfa s MET 10 N 0.47 3.81 0.40 1.98 -1.94 0.49 -0.58 119.30 123.94 1dfa s MET 10 Ca 0.29 0.24 0.10 0.00 -1.71 0.00 0.00 55.69 54.61 1dfa s MET 10 Cb -0.16 -2.91 0.53 0.00 2.01 0.00 0.00 34.83 34.30 1dfa s MET 10 CO 0.13 0.49 1.17 0.00 -0.01 0.00 0.00 175.02 176.80 1dfa h ALA 11 N 3.39 1.39 -0.59 3.03 0.00 -0.74 0.90 119.26 126.64 1dfa h ALA 11 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1dfa h ALA 11 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1dfa h ALA 11 CO 0.67 -0.39 0.00 -0.25 0.00 0.00 0.00 179.25 179.28 1dfa n ASP 12 N -2.11 4.42 -0.03 0.00 9.92 -1.26 -4.70 116.55 122.79 1dfa n ASP 12 Ca -0.01 -2.40 -0.00 0.00 -0.53 0.00 0.00 54.79 51.85 1dfa n ASP 12 Cb 0.54 -0.53 -0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1dfa n ASP 12 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1dfa n GLY 13 N 0.98 0.46 3.88 0.44 0.00 0.31 -4.93 105.19 106.33 1dfa n GLY 13 Ca 0.24 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 1dfa n GLY 13 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dfa s SER 14 N -2.44 6.57 -0.08 1.61 0.01 -1.14 -4.79 113.70 113.44 1dfa s SER 14 Ca 0.00 0.92 0.01 0.00 1.31 0.00 0.00 55.95 58.19 1dfa s SER 14 Cb 0.00 -2.23 -0.03 0.00 0.21 0.00 0.00 66.02 63.98 1dfa s SER 14 CO 0.00 -0.17 -0.10 -0.63 0.41 0.00 0.00 173.24 172.76 1dfa s ILE 15 N -1.99 3.45 -0.11 1.44 1.09 -1.26 0.19 121.20 124.00 1dfa s ILE 15 Ca 0.47 -0.56 -0.17 0.00 -1.10 0.00 0.00 60.65 59.29 1dfa s ILE 15 Cb -0.11 -2.41 0.04 0.00 -1.06 0.00 0.00 42.46 38.93 1dfa s ILE 15 CO 0.25 0.58 0.44 -0.70 -0.10 0.00 0.00 174.94 175.41 1dfa s GLU 16 N -0.56 0.64 0.56 2.79 2.56 -1.05 -4.99 118.70 118.66 1dfa s GLU 16 Ca 0.08 0.33 -0.21 0.00 0.00 0.00 0.00 54.97 55.17 1dfa s GLU 16 Cb -0.12 0.30 -0.04 0.00 2.00 0.00 0.00 34.13 36.27 1dfa s GLU 16 CO 0.02 -0.13 1.34 0.00 -0.56 0.00 0.00 175.26 175.93 1dfa h ILE 18 N 1.28 0.74 0.00 0.00 6.09 0.94 -1.96 117.51 124.60 1dfa h ILE 18 Ca -0.51 -0.23 -0.03 0.00 -1.37 0.00 0.00 64.86 62.73 1dfa h ILE 18 Cb 1.31 0.02 -0.00 0.00 0.47 0.00 0.00 36.82 38.61 1dfa h ILE 18 CO 0.56 0.12 -0.14 1.05 -3.07 0.00 0.00 178.15 176.68 1dfa h GLU 19 N 0.66 0.00 -0.62 2.19 4.11 -1.90 -3.16 114.58 115.86 1dfa h GLU 19 Ca 0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.94 1dfa h GLU 19 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1dfa h GLU 19 CO -0.27 0.14 0.00 0.09 0.07 0.00 0.00 179.01 179.04 1dfa n ASN 20 N -3.19 3.75 -4.90 3.06 3.02 -0.74 -4.91 115.26 111.35 1dfa n ASN 20 Ca 0.02 -2.32 -0.30 0.00 -0.03 0.00 0.00 54.58 51.94 1dfa n ASN 20 Cb 0.47 -0.50 -0.04 0.00 -0.61 0.00 0.00 39.78 39.10 1dfa n ASN 20 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1dfa s ILE 21 N -1.75 5.21 0.11 2.41 1.01 -1.20 -4.96 121.20 122.04 1dfa s ILE 21 Ca 0.39 -0.52 -0.01 0.00 0.00 0.00 0.00 60.65 60.52 1dfa s ILE 21 Cb 0.25 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 1dfa s ILE 21 CO 0.19 0.09 0.04 -1.61 0.00 0.00 0.00 174.94 173.65 1dfa s GLU 22 N -2.62 0.86 0.33 2.79 2.02 -1.26 -5.05 118.70 115.77 1dfa s GLU 22 Ca 0.34 -1.39 -0.26 0.00 0.02 0.00 0.00 54.97 53.68 1dfa s GLU 22 Cb -0.12 0.23 -0.14 0.00 0.10 0.00 0.00 34.13 34.20 1dfa s GLU 22 CO 0.27 -0.23 0.79 0.28 0.02 0.00 0.00 175.26 176.39 1dfa n VAL 23 N -0.05 1.98 0.00 2.63 0.31 -1.26 -1.84 118.33 120.09 1dfa n VAL 23 Ca -0.07 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 1dfa n VAL 23 Cb 0.63 -0.72 0.00 0.00 -0.91 0.00 0.00 33.84 32.84 1dfa n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1dfa n GLY 24 N 1.51 2.94 3.76 2.92 0.00 0.10 -4.97 105.19 111.45 1dfa n GLY 24 Ca 0.11 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 1dfa n GLY 24 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1dfa s ASN 25 N 0.50 5.56 -0.24 1.61 0.02 -0.77 -4.69 114.94 116.93 1dfa s ASN 25 Ca 0.00 2.88 -0.03 0.00 -1.02 0.00 0.00 52.86 54.69 1dfa s ASN 25 Cb 0.00 -2.65 0.01 0.00 0.02 0.00 0.00 41.25 38.63 1dfa s ASN 25 CO 0.00 -1.39 -0.06 -0.54 0.02 0.00 0.00 177.10 175.14 1dfa s LYS 26 N -2.67 3.07 0.82 -0.60 1.02 -1.26 -1.85 119.74 118.27 1dfa s LYS 26 Ca 0.66 -0.82 -0.10 0.00 0.02 0.00 0.00 55.97 55.72 1dfa s LYS 26 Cb -0.43 -2.99 0.12 0.00 -0.52 0.00 0.00 37.83 34.02 1dfa s LYS 26 CO 0.53 -0.31 1.15 0.14 -0.92 0.00 0.00 175.35 175.94 1dfa s VAL 27 N 1.39 2.10 -0.19 3.17 -7.23 -1.16 -0.52 120.40 117.96 1dfa s VAL 27 Ca 0.03 -0.16 -0.18 0.00 -1.81 0.00 0.00 61.98 59.86 1dfa s VAL 27 Cb -0.15 -2.94 -0.03 0.00 0.56 0.00 0.00 36.38 33.81 1dfa s VAL 27 CO -0.04 0.00 0.49 -0.32 -0.31 0.00 0.00 175.10 174.92 1dfa s MET 28 N -5.52 4.20 0.78 4.82 1.75 0.26 -0.92 119.30 124.65 1dfa s MET 28 Ca 0.66 0.37 -0.07 0.00 -1.25 0.00 0.00 55.69 55.40 1dfa s MET 28 Cb -0.08 -3.55 0.12 0.00 2.84 0.00 0.00 34.83 34.16 1dfa s MET 28 CO 0.48 -0.10 1.09 0.20 -0.65 0.00 0.00 175.02 176.04 1dfa s GLY 29 N 1.09 1.74 0.28 2.11 0.00 0.45 -1.09 107.32 111.90 1dfa s GLY 29 Ca 0.23 -1.24 0.01 0.00 0.00 0.00 0.00 44.72 43.72 1dfa s GLY 29 CO 0.09 -0.69 1.83 0.50 0.00 0.00 0.00 173.10 174.83 1dfa h LYS 30 N -0.85 0.93 -0.00 2.90 1.57 -1.82 -2.69 116.57 116.61 1dfa h LYS 30 Ca -0.42 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1dfa h LYS 30 Cb 1.28 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1dfa h LYS 30 CO 0.48 0.62 -0.00 -0.40 -0.57 0.00 0.00 179.45 179.58 1dfa n ASP 31 N -4.64 0.19 0.00 0.86 5.68 -1.26 -4.79 116.55 112.58 1dfa n ASP 31 Ca 0.18 -1.02 0.00 0.00 -0.50 0.00 0.00 54.79 53.46 1dfa n ASP 31 Cb 0.36 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 1dfa n ASP 31 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dfa n GLY 32 N 1.04 0.71 3.69 6.12 0.00 -1.01 -4.78 105.19 110.96 1dfa n GLY 32 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 1dfa n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dfa s ARG 33 N -0.40 2.70 0.50 1.61 0.52 -1.26 -4.58 118.95 118.04 1dfa s ARG 33 Ca 0.00 -0.71 -0.22 0.00 -0.52 0.00 0.00 55.73 54.27 1dfa s ARG 33 Cb 0.00 -2.62 -0.06 0.00 0.52 0.00 0.00 34.95 32.79 1dfa s ARG 33 CO 0.00 0.58 1.28 -1.25 0.02 0.00 0.00 175.30 175.93 1dfa s PRO 34 N -1.95 3.44 0.48 3.54 0.04 -1.26 -0.41 135.00 138.88 1dfa s PRO 34 Ca 0.23 2.05 0.07 0.00 0.04 0.00 0.00 61.00 63.38 1dfa s PRO 34 Cb -0.12 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.08 1dfa s PRO 34 CO 0.15 -0.89 0.36 1.03 0.04 0.00 0.00 177.00 177.68 1dfa s ARG 35 N -2.78 2.34 -0.15 4.56 1.81 -0.10 -4.77 118.95 119.85 1dfa s ARG 35 Ca 0.67 -1.83 -0.00 0.00 -1.72 0.00 0.00 55.73 52.85 1dfa s ARG 35 Cb -0.35 -2.17 0.03 0.00 -0.45 0.00 0.00 34.95 32.01 1dfa s ARG 35 CO 0.43 -0.39 -0.08 -1.83 -0.68 0.00 0.00 175.30 172.75 1dfa s GLU 36 N -4.16 1.66 -0.35 3.54 1.03 -1.26 -3.00 118.70 116.16 1dfa s GLU 36 Ca 0.40 -0.49 -0.29 0.00 0.03 0.00 0.00 54.97 54.62 1dfa s GLU 36 Cb -0.01 -1.95 0.02 0.00 -0.80 0.00 0.00 34.13 31.38 1dfa s GLU 36 CO 0.24 -0.36 1.14 0.08 -1.33 0.00 0.00 175.26 175.03 1dfa s VAL 37 N 1.60 4.37 -0.37 1.83 1.01 -0.77 -3.10 120.40 124.97 1dfa s VAL 37 Ca 0.02 1.54 0.08 0.00 0.00 0.00 0.00 61.98 63.62 1dfa s VAL 37 Cb -0.14 -4.40 0.21 0.00 0.00 0.00 0.00 36.38 32.05 1dfa s VAL 37 CO -0.08 -0.59 1.16 2.30 0.00 0.00 0.00 175.10 177.89 1dfa n ILE 38 N 6.14 1.26 -3.64 2.22 -5.35 0.35 0.03 119.36 120.36 1dfa n ILE 38 Ca 0.13 -1.25 -0.02 0.00 -0.27 0.00 0.00 62.75 61.33 1dfa n ILE 38 Cb 0.47 0.32 -0.03 0.00 -1.74 0.00 0.00 39.64 38.67 1dfa n ILE 38 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1dfa s LYS 39 N -1.44 0.04 -0.35 6.28 2.20 -1.23 -4.94 119.74 120.31 1dfa s LYS 39 Ca 0.17 -0.00 -0.01 0.00 -0.36 0.00 0.00 55.97 55.77 1dfa s LYS 39 Cb 0.12 0.02 0.13 0.00 -1.51 0.00 0.00 37.83 36.58 1dfa s LYS 39 CO 0.07 -0.01 0.19 -0.51 -0.36 0.00 0.00 175.35 174.73 1dfa s LEU 40 N -1.48 1.15 0.47 5.43 1.43 -1.26 -1.35 118.68 123.07 1dfa s LEU 40 Ca 0.10 -2.03 -0.16 0.00 -1.03 0.00 0.00 54.13 51.01 1dfa s LEU 40 Cb -0.01 -0.48 -0.08 0.00 0.03 0.00 0.00 46.19 45.64 1dfa s LEU 40 CO -0.06 -0.34 0.93 -2.84 0.23 0.00 0.00 176.35 174.28 1dfa s PRO 41 N 1.22 3.97 0.35 1.29 0.02 -1.23 -5.01 135.00 135.62 1dfa s PRO 41 Ca 0.16 0.89 0.07 0.00 0.02 0.00 0.00 61.00 62.14 1dfa s PRO 41 Cb -0.22 -2.20 -0.03 0.00 0.02 0.00 0.00 34.50 32.08 1dfa s PRO 41 CO -0.08 -0.17 0.25 1.03 -0.33 0.00 0.00 177.00 177.70 1dfa s ARG 42 N -3.83 1.81 0.00 5.54 1.81 -1.26 -4.01 118.95 119.01 1dfa s ARG 42 Ca 0.58 -2.07 0.00 0.00 -1.72 0.00 0.00 55.73 52.52 1dfa s ARG 42 Cb -0.10 0.13 0.00 0.00 -0.45 0.00 0.00 34.95 34.53 1dfa s ARG 42 CO 0.27 -0.63 0.00 0.41 -0.68 0.00 0.00 175.30 174.68 1dfa n GLY 43 N -0.70 -0.78 3.45 -3.53 0.00 -1.21 -4.95 105.19 97.47 1dfa n GLY 43 Ca 0.05 -1.26 -0.14 0.00 0.00 0.00 0.00 46.02 44.67 1dfa n GLY 43 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1dfa s ARG 44 N -2.00 0.67 0.00 1.61 3.52 -1.24 -0.62 118.95 120.88 1dfa s ARG 44 Ca 0.00 0.71 0.00 0.00 -0.13 0.00 0.00 55.73 56.31 1dfa s ARG 44 Cb 0.00 0.32 0.00 0.00 -1.56 0.00 0.00 34.95 33.71 1dfa s ARG 44 CO 0.00 -0.09 0.00 -0.85 -0.81 0.00 0.00 175.30 173.55 1dfa n GLU 45 N 2.63 -0.47 -1.97 5.12 0.28 -0.81 -4.85 120.64 120.58 1dfa n GLU 45 Ca -0.14 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.45 1dfa n GLU 45 Cb 0.56 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.42 1dfa n GLU 45 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1dfa s THR 46 N -3.00 2.47 0.14 3.84 2.01 -1.26 -0.29 115.64 119.55 1dfa s THR 46 Ca 0.00 0.44 0.10 0.00 0.31 0.00 0.00 61.69 62.54 1dfa s THR 46 Cb 0.00 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 1dfa s THR 46 CO 0.00 0.09 -0.23 -0.04 -0.69 0.00 0.00 174.62 173.75 1dfa s MET 47 N -1.25 1.57 0.05 4.92 1.00 -0.92 -1.33 119.30 123.35 1dfa s MET 47 Ca 0.55 -1.34 0.08 0.00 0.00 0.00 0.00 55.69 54.98 1dfa s MET 47 Cb -0.43 -1.96 -0.03 0.00 0.00 0.00 0.00 34.83 32.41 1dfa s MET 47 CO 0.52 0.45 -0.22 0.71 0.00 0.00 0.00 175.02 176.47 1dfa s TYR 48 N -1.26 1.93 -0.31 -0.03 1.51 -0.29 0.57 117.35 119.47 1dfa s TYR 48 Ca 0.17 -0.39 -0.16 0.00 -1.01 0.00 0.00 57.07 55.68 1dfa s TYR 48 Cb -0.10 -1.14 -0.02 0.00 -0.11 0.00 0.00 41.96 40.60 1dfa s TYR 48 CO 0.09 0.12 0.42 0.45 -1.11 0.00 0.00 175.55 175.52 1dfa s SER 49 N -1.31 6.27 -0.20 2.29 0.15 -0.32 -2.21 113.70 118.37 1dfa s SER 49 Ca 0.08 0.12 -0.05 0.00 0.70 0.00 0.00 55.95 56.80 1dfa s SER 49 Cb -0.09 -2.23 -0.03 0.00 -1.71 0.00 0.00 66.02 61.96 1dfa s SER 49 CO 0.02 -0.31 0.00 -0.69 1.20 0.00 0.00 173.24 173.47 1dfa s VAL 50 N 2.17 3.99 -0.02 4.45 1.01 0.75 -0.92 120.40 131.83 1dfa s VAL 50 Ca 0.16 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 1dfa s VAL 50 Cb -0.16 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.43 1dfa s VAL 50 CO 0.11 0.43 0.07 0.54 0.00 0.00 0.00 175.10 176.26 1dfa s VAL 51 N 0.94 0.02 0.37 2.92 0.11 -0.61 -0.76 120.40 123.39 1dfa s VAL 51 Ca 0.01 -0.20 -0.28 0.00 -2.93 0.00 0.00 61.98 58.59 1dfa s VAL 51 Cb -0.14 -0.18 -0.10 0.00 -1.53 0.00 0.00 36.38 34.43 1dfa s VAL 51 CO 0.02 -0.11 1.40 -1.58 -3.33 0.00 0.00 175.10 171.50 1dfa s GLN 52 N -0.32 4.14 0.02 1.54 0.74 -0.21 -0.01 119.66 125.55 1dfa s GLN 52 Ca -0.04 2.40 -0.30 0.00 0.05 0.00 0.00 55.36 57.47 1dfa s GLN 52 Cb -0.03 -2.95 -0.05 0.00 1.10 0.00 0.00 33.01 31.08 1dfa s GLN 52 CO 0.00 -0.44 1.29 0.15 -0.55 0.00 0.00 175.29 175.74 1dfa s LYS 53 N -2.04 4.35 0.01 1.67 1.02 0.48 -4.75 119.74 120.47 1dfa s LYS 53 Ca 0.53 1.84 -0.02 0.00 0.02 0.00 0.00 55.97 58.33 1dfa s LYS 53 Cb -0.43 -3.47 -0.01 0.00 -0.52 0.00 0.00 37.83 33.40 1dfa s LYS 53 CO 0.58 -0.43 0.03 -1.54 -0.92 0.00 0.00 175.35 173.07 1dfa s SER 54 N 1.45 0.13 0.00 2.83 1.04 -1.26 -4.89 113.70 112.99 1dfa s SER 54 Ca 0.60 -0.31 0.06 0.00 0.48 0.00 0.00 55.95 56.78 1dfa s SER 54 Cb -0.30 0.13 0.26 0.00 0.10 0.00 0.00 66.02 66.21 1dfa s SER 54 CO 0.26 -0.27 1.19 0.00 0.98 0.00 0.00 173.24 175.40 1dfa n GLN 55 N 1.81 0.00 0.00 4.02 3.00 -1.26 -4.90 117.38 120.06 1dfa n GLN 55 Ca -0.22 0.39 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 1dfa n GLN 55 Cb 0.56 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.30 1dfa n GLN 55 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.06 174.67 1dfa n HIS 56 N -1.49 0.00 0.00 1.08 1.44 -1.26 -5.18 115.22 109.81 1dfa n HIS 56 Ca 0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.72 1dfa n HIS 56 Cb 0.07 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.18 1dfa n HIS 56 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1dfa n ARG 57 N 0.00 0.00 -2.00 -1.40 1.74 -1.26 -5.02 116.66 108.72 1dfa n ARG 57 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1dfa n ARG 57 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1dfa n ARG 57 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1dfa n ALA 58 N 0.00 0.00 -1.77 7.54 0.00 -1.26 -5.07 120.51 119.96 1dfa n ALA 58 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1dfa n ALA 58 Cb 0.00 -0.49 -0.06 0.00 0.00 0.00 0.00 19.45 18.90 1dfa n ALA 58 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1dfa s HIS 59 N -2.94 3.88 -0.39 0.00 -3.43 -1.26 -4.94 115.29 106.21 1dfa s HIS 59 Ca 0.00 1.86 -0.39 0.00 -0.80 0.00 0.00 55.06 55.73 1dfa s HIS 59 Cb 0.00 -2.95 -0.15 0.00 -1.43 0.00 0.00 32.58 28.05 1dfa s HIS 59 CO 0.00 0.37 2.05 1.17 -2.00 0.00 0.00 174.74 176.34 1dfa n LYS 60 N 1.17 0.72 -3.61 -0.38 3.00 -1.26 -4.91 118.16 112.89 1dfa n LYS 60 Ca -0.01 0.22 0.01 0.00 -0.00 0.00 0.00 58.31 58.53 1dfa n LYS 60 Cb 0.48 -2.05 -0.01 0.00 0.00 0.00 0.00 35.03 33.45 1dfa n LYS 60 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1dfa s SER 61 N 5.92 -0.06 0.00 3.14 1.04 -1.26 -5.04 113.70 117.43 1dfa s SER 61 Ca 1.10 -0.10 0.24 0.00 0.48 0.00 0.00 55.95 57.67 1dfa s SER 61 Cb -1.13 0.14 0.26 0.00 0.10 0.00 0.00 66.02 65.39 1dfa s SER 61 CO 0.59 -0.26 1.26 0.47 0.98 0.00 0.00 173.24 176.29 1dfa n ASP 62 N -0.42 2.03 -4.71 7.02 8.00 -1.26 -4.90 116.55 122.30 1dfa n ASP 62 Ca -0.07 -1.51 -0.36 0.00 0.71 0.00 0.00 54.79 53.55 1dfa n ASP 62 Cb 0.62 0.27 -0.08 0.00 -0.02 0.00 0.00 41.12 41.92 1dfa n ASP 62 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1dfa s SER 63 N -2.34 6.33 0.00 -2.24 1.04 -1.26 -4.98 113.70 110.26 1dfa s SER 63 Ca 0.23 0.38 0.00 0.00 0.48 0.00 0.00 55.95 57.04 1dfa s SER 63 Cb 0.19 -2.15 0.00 0.00 0.10 0.00 0.00 66.02 64.16 1dfa s SER 63 CO 0.48 0.10 0.77 -1.54 0.98 0.00 0.00 173.24 174.03 1dfa n SER 64 N 3.74 2.09 0.31 7.02 3.41 -1.26 -4.30 113.62 124.63 1dfa n SER 64 Ca -0.13 -1.99 -0.13 0.00 -0.26 0.00 0.00 58.87 56.37 1dfa n SER 64 Cb 0.52 -0.50 -0.06 0.00 -0.26 0.00 0.00 64.21 63.91 1dfa n SER 64 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1dfa h ARG 65 N 0.01 -0.79 -6.85 4.33 2.43 -1.99 -3.44 114.38 108.07 1dfa h ARG 65 Ca 0.00 0.05 -0.53 0.00 -0.81 0.00 0.00 59.98 58.69 1dfa h ARG 65 Cb 0.77 0.18 0.09 0.00 -0.42 0.00 0.00 29.97 30.59 1dfa h ARG 65 CO 0.00 -0.53 0.82 -1.21 -1.51 0.00 0.00 179.97 177.54 1dfa s GLU 66 N -4.28 4.15 0.07 0.20 2.02 -1.26 -4.92 118.70 114.69 1dfa s GLU 66 Ca -0.12 2.52 -0.31 0.00 0.02 0.00 0.00 54.97 57.08 1dfa s GLU 66 Cb 0.01 -3.02 -0.07 0.00 0.10 0.00 0.00 34.13 31.15 1dfa s GLU 66 CO 0.36 -0.54 1.47 0.14 0.02 0.00 0.00 175.26 176.71 1dfa s VAL 67 N -0.49 3.30 0.29 2.63 -7.23 -1.26 -4.90 120.40 112.74 1dfa s VAL 67 Ca 0.58 0.84 -0.02 0.00 -1.81 0.00 0.00 61.98 61.57 1dfa s VAL 67 Cb -0.46 -3.54 -0.04 0.00 0.56 0.00 0.00 36.38 32.90 1dfa s VAL 67 CO 0.53 0.03 0.51 -2.16 -0.31 0.00 0.00 175.10 173.70 1dfa s PRO 68 N 1.83 3.55 -0.27 4.82 0.04 -1.26 -4.00 135.00 139.70 1dfa s PRO 68 Ca 0.67 -0.21 -0.12 0.00 0.04 0.00 0.00 61.00 61.37 1dfa s PRO 68 Cb -0.36 -2.70 -0.05 0.00 0.04 0.00 0.00 34.50 31.43 1dfa s PRO 68 CO 0.30 0.24 0.26 -2.00 0.04 0.00 0.00 177.00 175.83 1dfa s GLU 69 N -3.79 3.98 0.00 4.56 2.56 -1.26 -4.94 118.70 119.81 1dfa s GLU 69 Ca 0.41 -0.18 0.24 0.00 0.00 0.00 0.00 54.97 55.44 1dfa s GLU 69 Cb -0.10 -3.65 0.29 0.00 2.00 0.00 0.00 34.13 32.66 1dfa s GLU 69 CO 0.32 -0.20 1.28 1.28 -0.56 0.00 0.00 175.26 177.38 1dfa n LEU 70 N 5.12 2.00 -4.10 2.70 4.77 -1.26 -4.47 117.00 121.76 1dfa n LEU 70 Ca -0.12 -0.69 -0.42 0.00 -0.03 0.00 0.00 56.01 54.75 1dfa n LEU 70 Cb 0.52 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1dfa n LEU 70 CO 0.35 0.36 0.91 0.18 -1.33 0.00 0.00 177.39 177.85 1dfa n LEU 71 N 0.18 5.84 -3.72 2.23 4.77 -1.26 -4.81 117.00 120.22 1dfa n LEU 71 Ca 0.12 -5.16 -0.13 0.00 -0.03 0.00 0.00 56.01 50.80 1dfa n LEU 71 Cb 0.46 -1.30 -0.09 0.00 -2.33 0.00 0.00 43.42 40.16 1dfa n LEU 71 CO 0.24 1.58 0.13 -1.59 -1.33 0.00 0.00 177.39 176.42 1dfa s LYS 72 N -2.16 0.57 0.08 3.23 -2.85 -1.26 -1.05 119.74 116.30 1dfa s LYS 72 Ca 0.31 0.50 -0.18 0.00 -1.00 0.00 0.00 55.97 55.60 1dfa s LYS 72 Cb -0.01 0.27 0.04 0.00 -2.06 0.00 0.00 37.83 36.08 1dfa s LYS 72 CO 0.02 -0.09 0.44 -0.59 0.10 0.00 0.00 175.35 175.22 1dfa s PHE 73 N -0.04 -0.28 -0.19 1.78 -0.12 0.06 -5.01 117.98 114.18 1dfa s PHE 73 Ca -0.02 0.14 -0.00 0.00 -0.05 0.00 0.00 56.93 57.00 1dfa s PHE 73 Cb -0.03 0.27 0.01 0.00 -0.63 0.00 0.00 43.02 42.64 1dfa s PHE 73 CO 0.02 -0.65 -0.16 0.99 -0.05 0.00 0.00 175.22 175.37 1dfa s THR 74 N -3.03 2.38 0.29 -4.49 2.01 -1.26 -0.18 115.64 111.36 1dfa s THR 74 Ca -0.02 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.15 1dfa s THR 74 Cb 0.00 -2.02 0.00 0.00 0.01 0.00 0.00 72.50 70.49 1dfa s THR 74 CO -0.06 0.51 0.01 0.00 -0.69 0.00 0.00 174.62 174.38 1dfa s ASN 76 N -2.62 5.69 0.34 0.00 6.03 -0.57 -1.14 114.94 122.67 1dfa s ASN 76 Ca 0.00 -0.17 0.14 0.00 -1.03 0.00 0.00 52.86 51.80 1dfa s ASN 76 Cb -0.00 -1.50 1.10 0.00 -3.03 0.00 0.00 41.25 37.81 1dfa s ASN 76 CO 0.00 -0.03 1.52 0.00 -2.03 0.00 0.00 177.10 176.56 1dfa n ALA 77 N -1.14 0.81 0.22 3.54 0.00 -0.44 0.40 120.51 123.90 1dfa n ALA 77 Ca -0.08 1.00 0.05 0.00 0.00 0.00 0.00 53.44 54.41 1dfa n ALA 77 Cb 0.57 -0.90 0.21 0.00 0.00 0.00 0.00 19.45 19.33 1dfa n ALA 77 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1dfa n THR 78 N -5.27 1.18 -2.39 0.00 -2.24 -1.26 -1.55 114.28 102.75 1dfa n THR 78 Ca 0.32 -0.69 -0.41 0.00 -2.27 0.00 0.00 64.05 60.99 1dfa n THR 78 Cb 1.06 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 69.10 1dfa n THR 78 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1dfa s HIS 79 N -1.79 3.44 -0.54 4.78 2.46 0.16 -4.76 115.29 119.05 1dfa s HIS 79 Ca 0.29 1.44 -0.20 0.00 0.47 0.00 0.00 55.06 57.05 1dfa s HIS 79 Cb 0.20 -3.42 0.06 0.00 -0.13 0.00 0.00 32.58 29.29 1dfa s HIS 79 CO 0.12 -1.15 0.73 -1.21 -2.47 0.00 0.00 174.74 170.76 1dfa s GLU 80 N -0.22 3.16 0.07 2.88 2.02 -1.26 -0.27 118.70 125.07 1dfa s GLU 80 Ca 0.53 -0.78 -0.28 0.00 0.02 0.00 0.00 54.97 54.45 1dfa s GLU 80 Cb -0.32 -4.11 -0.05 0.00 0.10 0.00 0.00 34.13 29.74 1dfa s GLU 80 CO 0.36 -1.36 0.89 -0.51 0.02 0.00 0.00 175.26 174.67 1dfa s LEU 81 N 3.04 4.46 -0.39 1.80 1.43 -0.12 -4.16 118.68 124.73 1dfa s LEU 81 Ca 0.19 1.65 -0.21 0.00 -1.03 0.00 0.00 54.13 54.72 1dfa s LEU 81 Cb -0.18 -3.45 0.01 0.00 0.03 0.00 0.00 46.19 42.60 1dfa s LEU 81 CO 0.13 -0.06 0.67 0.68 0.23 0.00 0.00 176.35 178.00 1dfa s VAL 82 N 0.10 4.82 0.36 -1.59 -7.23 -1.26 -2.06 120.40 113.55 1dfa s VAL 82 Ca 0.44 0.44 0.06 0.00 -1.81 0.00 0.00 61.98 61.11 1dfa s VAL 82 Cb -0.22 -4.16 -0.07 0.00 0.56 0.00 0.00 36.38 32.49 1dfa s VAL 82 CO 0.27 -0.47 0.02 0.68 -0.31 0.00 0.00 175.10 175.30 1dfa s VAL 83 N 2.85 1.61 -0.00 1.32 -7.23 -0.62 -4.45 120.40 113.89 1dfa s VAL 83 Ca 0.25 -2.02 -0.01 0.00 -1.81 0.00 0.00 61.98 58.40 1dfa s VAL 83 Cb -0.14 -2.86 -0.00 0.00 0.56 0.00 0.00 36.38 33.94 1dfa s VAL 83 CO 0.17 -0.03 0.01 -0.13 -0.31 0.00 0.00 175.10 174.82 1dfa s ARG 84 N -3.79 0.11 -0.00 4.82 0.52 -0.44 -1.98 118.95 118.18 1dfa s ARG 84 Ca 0.35 -0.14 0.01 0.00 -0.52 0.00 0.00 55.73 55.43 1dfa s ARG 84 Cb 0.09 0.04 -0.00 0.00 0.52 0.00 0.00 34.95 35.60 1dfa s ARG 84 CO 0.16 -0.02 -0.05 0.99 0.02 0.00 0.00 175.30 176.41 1dfa s THR 85 N -0.40 0.37 0.45 0.02 2.01 -1.01 -1.61 115.64 115.46 1dfa s THR 85 Ca -0.04 -0.22 -0.23 0.00 0.31 0.00 0.00 61.69 61.51 1dfa s THR 85 Cb -0.03 -0.32 -0.08 0.00 0.01 0.00 0.00 72.50 72.09 1dfa s THR 85 CO -0.00 0.09 1.15 -2.16 -0.69 0.00 0.00 174.62 173.01 1dfa s PRO 86 N -0.14 3.84 0.63 4.92 0.04 -1.26 0.01 135.00 143.03 1dfa s PRO 86 Ca 0.01 1.75 -0.14 0.00 0.04 0.00 0.00 61.00 62.66 1dfa s PRO 86 Cb -0.02 -2.45 -0.02 0.00 0.04 0.00 0.00 34.50 32.06 1dfa s PRO 86 CO -0.00 -0.48 1.07 1.03 0.04 0.00 0.00 177.00 178.66 1dfa s ARG 87 N -2.64 3.08 -0.29 4.56 1.81 -0.22 -4.77 118.95 120.50 1dfa s ARG 87 Ca 0.62 1.19 -0.20 0.00 -1.72 0.00 0.00 55.73 55.63 1dfa s ARG 87 Cb -0.28 -2.00 0.15 0.00 -0.45 0.00 0.00 34.95 32.37 1dfa s ARG 87 CO 0.34 -1.00 1.09 0.45 -0.68 0.00 0.00 175.30 175.51 1dfa s SER 88 N -2.96 -0.37 0.04 0.23 0.15 -1.26 -4.93 113.70 104.60 1dfa s SER 88 Ca 0.63 0.63 0.00 0.00 0.70 0.00 0.00 55.95 57.92 1dfa s SER 88 Cb -0.17 0.94 -0.03 0.00 -1.71 0.00 0.00 66.02 65.06 1dfa s SER 88 CO 0.42 -0.10 -0.04 0.54 1.20 0.00 0.00 173.24 175.26 1dfa s VAL 89 N 0.82 0.24 -0.24 4.45 0.11 -1.26 -1.73 120.40 122.79 1dfa s VAL 89 Ca -0.03 -1.23 -0.17 0.00 -2.93 0.00 0.00 61.98 57.62 1dfa s VAL 89 Cb -0.04 -0.72 0.07 0.00 -1.53 0.00 0.00 36.38 34.16 1dfa s VAL 89 CO -0.12 -0.63 0.61 -0.60 -3.33 0.00 0.00 175.10 171.03 1dfa s ARG 90 N -2.24 0.66 0.00 1.54 3.52 -0.30 -4.90 118.95 117.23 1dfa s ARG 90 Ca -0.08 0.99 0.00 0.00 -0.13 0.00 0.00 55.73 56.51 1dfa s ARG 90 Cb -0.05 0.21 0.00 0.00 -1.56 0.00 0.00 34.95 33.55 1dfa s ARG 90 CO -0.03 -0.12 0.00 0.54 -0.81 0.00 0.00 175.30 174.87 1dfa n ARG 91 N 3.59 0.00 0.00 5.12 1.74 -1.26 -1.27 116.66 124.58 1dfa n ARG 91 Ca -0.18 0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1dfa n ARG 91 Cb 0.57 -3.24 0.00 0.00 -1.02 0.00 0.00 32.46 28.77 1dfa n ARG 91 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1dfa n LEU 92 N 0.00 0.00 0.00 0.55 7.94 -1.26 -4.79 117.00 119.44 1dfa n LEU 92 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1dfa n LEU 92 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1dfa n LEU 92 CO 0.00 0.00 0.00 -1.20 -1.11 0.00 0.00 177.39 175.08 1dfa n SER 93 N 0.00 0.00 0.17 1.96 7.64 -1.26 -4.83 113.62 117.29 1dfa n SER 93 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 1dfa n SER 93 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 1dfa n SER 93 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1dfa h ARG 94 N 0.00 -0.38 -0.58 1.43 2.43 -2.01 -3.44 114.38 111.82 1dfa h ARG 94 Ca 0.00 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1dfa h ARG 94 Cb 0.00 0.09 -0.17 0.00 -0.42 0.00 0.00 29.97 29.46 1dfa h ARG 94 CO 0.00 -0.14 -0.28 0.95 -1.51 0.00 0.00 179.97 179.00 1dfa s THR 95 N -5.36 -0.58 0.52 0.20 -4.23 -1.26 -5.08 115.64 99.85 1dfa s THR 95 Ca -0.15 -0.15 0.03 0.00 -1.18 0.00 0.00 61.69 60.24 1dfa s THR 95 Cb 0.03 0.00 0.03 0.00 1.34 0.00 0.00 72.50 73.90 1dfa s THR 95 CO 0.60 0.00 0.73 -0.63 -0.54 0.00 0.00 174.62 174.78 1dfa s ILE 96 N 1.65 2.73 -0.09 2.99 1.01 -1.26 -5.15 121.20 123.08 1dfa s ILE 96 Ca 0.18 -0.75 -0.09 0.00 0.00 0.00 0.00 60.65 59.99 1dfa s ILE 96 Cb 0.02 -2.98 0.03 0.00 0.01 0.00 0.00 42.46 39.53 1dfa s ILE 96 CO -0.10 0.00 0.27 -0.54 0.00 0.00 0.00 174.94 174.56 1dfa s LYS 97 N -4.67 0.33 0.00 2.79 1.02 -1.26 -4.94 119.74 113.01 1dfa s LYS 97 Ca 0.57 0.33 0.00 0.00 0.02 0.00 0.00 55.97 56.89 1dfa s LYS 97 Cb -0.10 0.16 0.00 0.00 -0.52 0.00 0.00 37.83 37.37 1dfa s LYS 97 CO 0.37 -0.04 0.00 0.41 -0.92 0.00 0.00 175.35 175.17 1dfa n GLY 98 N 2.84 1.73 3.26 -3.33 0.00 -1.26 -5.18 105.19 103.25 1dfa n GLY 98 Ca -0.13 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 1dfa n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dfa s VAL 99 N 2.61 0.09 -0.00 1.61 1.01 -1.26 -5.08 120.40 119.37 1dfa s VAL 99 Ca 0.00 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 1dfa s VAL 99 Cb 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.33 1dfa s VAL 99 CO 0.00 -0.40 0.00 -0.62 0.00 0.00 0.00 175.10 174.08 1dfa n GLU 100 N 0.32 -0.81 0.00 2.72 -0.58 -1.26 -4.71 120.64 116.32 1dfa n GLU 100 Ca -0.17 0.63 0.00 0.00 -0.42 0.00 0.00 57.16 57.19 1dfa n GLU 100 Cb 0.61 -1.08 0.00 0.00 -0.57 0.00 0.00 31.44 30.40 1dfa n GLU 100 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1dfa n TYR 101 N 2.05 0.00 -3.95 -0.32 4.02 -1.26 -5.05 117.16 112.66 1dfa n TYR 101 Ca -0.01 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.79 1dfa n TYR 101 Cb 0.01 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.25 1dfa n TYR 101 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 176.86 175.26 1dfa s PHE 102 N 0.00 0.34 -0.03 -0.72 -0.12 -1.26 -5.18 117.98 111.01 1dfa s PHE 102 Ca 0.00 -0.77 -0.01 0.00 -0.05 0.00 0.00 56.93 56.11 1dfa s PHE 102 Cb 0.00 -0.15 -0.04 0.00 -0.63 0.00 0.00 43.02 42.20 1dfa s PHE 102 CO 0.00 -0.56 0.04 -2.00 -0.05 0.00 0.00 175.22 172.65 1dfa s GLU 103 N -3.92 2.99 -0.25 1.99 2.12 -1.26 -4.97 118.70 115.40 1dfa s GLU 103 Ca 0.10 -0.48 -0.03 0.00 0.36 0.00 0.00 54.97 54.92 1dfa s GLU 103 Cb 0.05 -2.81 0.01 0.00 0.26 0.00 0.00 34.13 31.64 1dfa s GLU 103 CO -0.07 0.66 -0.04 0.08 -0.54 0.00 0.00 175.26 175.36 1dfa s VAL 104 N -1.08 3.18 -0.22 3.70 1.01 -1.26 -4.48 120.40 121.24 1dfa s VAL 104 Ca 0.19 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.27 1dfa s VAL 104 Cb -0.12 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1dfa s VAL 104 CO 0.10 0.25 0.10 -0.63 0.00 0.00 0.00 175.10 174.92 1dfa s ILE 105 N 1.40 4.85 0.09 2.22 1.01 -0.40 -3.29 121.20 127.07 1dfa s ILE 105 Ca 0.02 -0.00 0.03 0.00 0.00 0.00 0.00 60.65 60.70 1dfa s ILE 105 Cb -0.16 -3.24 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 1dfa s ILE 105 CO -0.03 0.38 -0.09 0.42 0.00 0.00 0.00 174.94 175.62 1dfa s THR 106 N 1.00 0.82 -0.19 2.92 -4.23 -0.72 -1.15 115.64 114.08 1dfa s THR 106 Ca 0.05 -1.60 -0.07 0.00 -1.18 0.00 0.00 61.69 58.89 1dfa s THR 106 Cb -0.14 -1.29 -0.04 0.00 1.34 0.00 0.00 72.50 72.37 1dfa s THR 106 CO 0.03 -0.59 0.07 -0.36 -0.54 0.00 0.00 174.62 173.23 1dfa s PHE 107 N -2.49 3.22 0.02 3.99 0.40 -0.71 0.56 117.98 122.97 1dfa s PHE 107 Ca 0.04 0.01 -0.28 0.00 -0.60 0.00 0.00 56.93 56.10 1dfa s PHE 107 Cb -0.02 -2.11 0.08 0.00 0.51 0.00 0.00 43.02 41.48 1dfa s PHE 107 CO -0.01 0.07 0.72 -1.83 0.70 0.00 0.00 175.22 174.87 1dfa s GLU 108 N 0.59 1.05 0.13 0.44 -1.05 -0.72 -4.49 118.70 114.65 1dfa s GLU 108 Ca 0.03 -0.08 -0.30 0.00 -0.15 0.00 0.00 54.97 54.47 1dfa s GLU 108 Cb -0.13 0.49 -0.07 0.00 -0.44 0.00 0.00 34.13 33.98 1dfa s GLU 108 CO 0.01 -0.40 1.26 -1.64 0.95 0.00 0.00 175.26 175.44 1dfa s MET 109 N -2.33 4.42 0.07 -4.83 -1.94 -0.80 -0.83 119.30 113.05 1dfa s MET 109 Ca -0.04 1.92 -0.00 0.00 -1.71 0.00 0.00 55.69 55.86 1dfa s MET 109 Cb -0.01 -3.27 0.00 0.00 2.01 0.00 0.00 34.83 33.57 1dfa s MET 109 CO -0.02 -0.24 0.09 0.41 -0.01 0.00 0.00 175.02 175.25 1dfa n GLY 110 N 2.81 3.09 3.26 -0.03 0.00 0.36 -3.91 105.19 110.78 1dfa n GLY 110 Ca 0.08 -1.47 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 1dfa n GLY 110 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1dfa s GLN 111 N -2.17 3.20 -0.01 1.61 -1.52 -1.26 -0.52 119.66 118.99 1dfa s GLN 111 Ca 0.06 -0.77 0.06 0.00 -1.95 0.00 0.00 55.36 52.76 1dfa s GLN 111 Cb -0.00 -2.57 -0.03 0.00 -0.22 0.00 0.00 33.01 30.20 1dfa s GLN 111 CO 0.04 0.06 -0.17 0.21 -0.25 0.00 0.00 175.29 175.18 1dfa s LYS 112 N 0.70 2.28 -0.60 2.91 2.47 0.18 -4.94 119.74 122.75 1dfa s LYS 112 Ca -0.08 -0.84 -0.28 0.00 -1.56 0.00 0.00 55.97 53.22 1dfa s LYS 112 Cb -0.16 -2.27 0.02 0.00 -1.46 0.00 0.00 37.83 33.96 1dfa s LYS 112 CO 0.01 0.58 1.36 0.15 0.16 0.00 0.00 175.35 177.62 1dfa s LYS 113 N -1.04 3.30 0.47 4.03 -0.14 -1.26 -1.16 119.74 123.94 1dfa s LYS 113 Ca 0.13 0.31 -0.24 0.00 -1.36 0.00 0.00 55.97 54.80 1dfa s LYS 113 Cb -0.11 -4.12 -0.07 0.00 -1.68 0.00 0.00 37.83 31.85 1dfa s LYS 113 CO 0.03 -1.95 1.38 0.00 -0.76 0.00 0.00 175.35 174.05 1dfa s ALA 114 N 5.89 3.11 0.53 5.17 0.00 0.25 -4.86 121.76 131.85 1dfa s ALA 114 Ca 0.48 1.37 0.22 0.00 0.00 0.00 0.00 51.96 54.03 1dfa s ALA 114 Cb -0.10 -3.56 1.38 0.00 0.00 0.00 0.00 23.12 20.85 1dfa s ALA 114 CO 0.23 -1.17 2.07 -1.00 0.00 0.00 0.00 175.76 175.90 1dfa h PRO 115 N 2.12 0.00 0.00 0.00 0.13 -1.95 0.00 132.00 132.30 1dfa h PRO 115 Ca -0.51 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.58 1dfa h PRO 115 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1dfa h PRO 115 CO 0.60 0.00 -0.20 0.38 -0.23 0.00 0.00 178.00 178.55 1dfa h ASP 116 N 0.00 0.00 0.00 1.44 2.03 -2.02 -3.46 116.42 114.41 1dfa h ASP 116 Ca 0.13 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.43 1dfa h ASP 116 Cb 0.55 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.05 1dfa h ASP 116 CO -0.00 0.20 0.00 0.61 -1.03 0.00 0.00 179.24 179.02 1dfa n GLY 117 N -0.22 1.27 3.83 7.15 0.00 -0.01 -5.11 105.19 112.09 1dfa n GLY 117 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1dfa n GLY 117 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1dfa s ARG 118 N 0.00 4.01 -0.77 1.61 6.06 -1.25 -4.82 118.95 123.80 1dfa s ARG 118 Ca 0.00 1.05 0.01 0.00 -2.50 0.00 0.00 55.73 54.29 1dfa s ARG 118 Cb 0.00 -2.14 0.19 0.00 0.06 0.00 0.00 34.95 33.05 1dfa s ARG 118 CO 0.00 -0.22 0.61 0.96 -2.50 0.00 0.00 175.30 174.15 1dfa s ILE 119 N -2.42 3.65 0.41 4.11 -5.25 -1.26 0.84 121.20 121.28 1dfa s ILE 119 Ca 0.61 -3.89 -0.24 0.00 -0.99 0.00 0.00 60.65 56.14 1dfa s ILE 119 Cb -0.10 -3.33 -0.09 0.00 2.95 0.00 0.00 42.46 41.89 1dfa s ILE 119 CO 0.24 -1.02 1.06 0.68 -1.79 0.00 0.00 174.94 174.12 1dfa s VAL 120 N -1.19 3.65 -0.23 8.37 -7.23 -0.31 -4.75 120.40 118.71 1dfa s VAL 120 Ca 0.25 1.24 -0.13 0.00 -1.81 0.00 0.00 61.98 61.52 1dfa s VAL 120 Cb -0.09 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 33.18 1dfa s VAL 120 CO -0.12 -0.02 0.29 -0.70 -0.31 0.00 0.00 175.10 174.24 1dfa s GLU 121 N -2.58 4.10 0.27 4.82 2.12 -1.26 0.50 118.70 126.67 1dfa s GLU 121 Ca 0.59 -0.03 -0.21 0.00 0.36 0.00 0.00 54.97 55.68 1dfa s GLU 121 Cb -0.22 -3.56 0.02 0.00 0.26 0.00 0.00 34.13 30.63 1dfa s GLU 121 CO 0.28 -0.05 0.73 -0.48 -0.54 0.00 0.00 175.26 175.20 1dfa s LEU 122 N 1.36 -0.26 0.01 2.70 2.34 0.32 -4.97 118.68 120.17 1dfa s LEU 122 Ca 0.13 -0.59 -0.30 0.00 0.06 0.00 0.00 54.13 53.43 1dfa s LEU 122 Cb -0.14 2.70 -0.04 0.00 -0.56 0.00 0.00 46.19 48.15 1dfa s LEU 122 CO 0.07 -1.32 1.06 -0.69 -1.06 0.00 0.00 176.35 174.40 1dfa s VAL 123 N -3.89 4.59 0.13 1.48 1.01 -1.26 -0.48 120.40 121.97 1dfa s VAL 123 Ca 0.11 1.86 0.08 0.00 0.00 0.00 0.00 61.98 64.03 1dfa s VAL 123 Cb -0.06 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1dfa s VAL 123 CO 0.06 0.13 -0.20 -0.54 0.00 0.00 0.00 175.10 174.55 1dfa s LYS 124 N 1.17 1.19 -0.18 2.72 1.02 -0.01 -4.73 119.74 120.92 1dfa s LYS 124 Ca 0.54 -1.27 -0.17 0.00 0.02 0.00 0.00 55.97 55.09 1dfa s LYS 124 Cb -0.23 -1.36 -0.04 0.00 -0.52 0.00 0.00 37.83 35.68 1dfa s LYS 124 CO 0.27 0.30 0.43 -2.00 -0.92 0.00 0.00 175.35 173.43 1dfa s GLU 125 N -2.30 4.23 -0.06 1.68 2.12 -1.26 -1.76 118.70 121.34 1dfa s GLU 125 Ca 0.10 0.30 0.05 0.00 0.36 0.00 0.00 54.97 55.78 1dfa s GLU 125 Cb -0.08 -3.51 -0.02 0.00 0.26 0.00 0.00 34.13 30.79 1dfa s GLU 125 CO 0.05 0.01 -0.21 0.08 -0.54 0.00 0.00 175.26 174.66 1dfa s VAL 126 N 1.12 2.47 0.00 3.70 1.01 0.19 -4.95 120.40 123.94 1dfa s VAL 126 Ca 0.22 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1dfa s VAL 126 Cb -0.15 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.30 1dfa s VAL 126 CO 0.08 0.57 0.00 -1.54 0.00 0.00 0.00 175.10 174.21 1dfa n SER 127 N 2.82 0.00 -3.16 3.32 3.41 -1.26 -1.76 113.62 117.00 1dfa n SER 127 Ca -0.17 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.36 1dfa n SER 127 Cb 0.52 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.54 1dfa n SER 127 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1dfa n LYS 128 N 0.00 -1.27 -2.11 4.33 5.02 -1.21 -4.31 118.16 118.62 1dfa n LYS 128 Ca 0.00 -0.36 -0.40 0.00 -2.02 0.00 0.00 58.31 55.52 1dfa n LYS 128 Cb 0.00 -0.61 -0.03 0.00 -0.02 0.00 0.00 35.03 34.37 1dfa n LYS 128 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1dfa s SER 129 N -1.91 5.65 -0.06 4.39 0.15 -1.26 -4.84 113.70 115.81 1dfa s SER 129 Ca 0.17 0.61 -0.00 0.00 0.70 0.00 0.00 55.95 57.42 1dfa s SER 129 Cb -0.03 -2.53 0.03 0.00 -1.71 0.00 0.00 66.02 61.77 1dfa s SER 129 CO 0.14 -2.03 -0.02 -0.47 1.20 0.00 0.00 173.24 172.06 1dfa s TYR 130 N 7.76 0.70 0.00 3.44 6.04 -1.26 -5.11 117.35 128.91 1dfa s TYR 130 Ca 0.67 -0.19 0.00 0.00 0.04 0.00 0.00 57.07 57.59 1dfa s TYR 130 Cb -0.15 -0.75 0.00 0.00 -1.04 0.00 0.00 41.96 40.02 1dfa s TYR 130 CO 0.25 -0.28 0.00 -0.35 -1.54 0.00 0.00 175.55 173.64 1dfa n PRO 131 N 4.72 0.00 -2.18 4.97 -0.04 -1.26 -4.96 135.00 136.25 1dfa n PRO 131 Ca -0.14 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.16 1dfa n PRO 131 Cb 0.50 -0.40 0.01 0.00 -0.04 0.00 0.00 33.50 33.58 1dfa n PRO 131 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1dfa n ILE 132 N 0.00 -1.54 -2.71 0.52 5.41 -1.26 -4.13 119.36 115.65 1dfa n ILE 132 Ca 0.00 0.02 -0.01 0.00 1.00 0.00 0.00 62.75 63.76 1dfa n ILE 132 Cb 0.00 -1.40 -0.01 0.00 -0.71 0.00 0.00 39.64 37.52 1dfa n ILE 132 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1dfa n SER 133 N 0.33 -4.81 0.00 4.38 2.88 -1.26 -4.94 113.62 110.19 1dfa n SER 133 Ca -0.05 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 1dfa n SER 133 Cb 0.28 -2.54 0.00 0.00 -0.75 0.00 0.00 64.21 61.20 1dfa n SER 133 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1dfa n GLU 134 N 2.22 0.00 -1.04 -1.46 4.07 -1.25 -4.42 120.64 118.76 1dfa n GLU 134 Ca -0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.01 1dfa n GLU 134 Cb 0.13 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.51 1dfa n GLU 134 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1dfa n LYS 152 N 0.00 -2.97 0.00 5.31 4.81 -1.26 -1.91 118.16 122.15 1dfa n LYS 152 Ca 0.00 2.19 0.12 0.00 -0.87 0.00 0.00 58.31 59.75 1dfa n LYS 152 Cb 0.00 -2.46 0.14 0.00 0.02 0.00 0.00 35.03 32.74 1dfa n LYS 152 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1dfa n ALA 153 N -0.67 2.75 -2.29 3.14 0.00 -1.26 -4.96 120.51 117.21 1dfa n ALA 153 Ca 0.00 -0.64 -0.18 0.00 0.00 0.00 0.00 53.44 52.63 1dfa n ALA 153 Cb 0.00 -0.87 -0.08 0.00 0.00 0.00 0.00 19.45 18.50 1dfa n ALA 153 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1dfa s TYR 154 N -2.13 1.60 -0.11 0.00 -0.85 -1.26 -1.05 117.35 113.55 1dfa s TYR 154 Ca 0.27 -1.59 -0.03 0.00 -0.52 0.00 0.00 57.07 55.20 1dfa s TYR 154 Cb 0.20 -0.66 -0.03 0.00 0.38 0.00 0.00 41.96 41.85 1dfa s TYR 154 CO 0.38 -0.83 0.03 -0.06 -1.52 0.00 0.00 175.55 173.54 1dfa s PHE 155 N -3.59 3.22 -0.30 -3.49 0.08 0.10 -4.74 117.98 109.27 1dfa s PHE 155 Ca 0.40 0.19 -0.03 0.00 0.12 0.00 0.00 56.93 57.61 1dfa s PHE 155 Cb 0.03 -1.86 0.04 0.00 -0.57 0.00 0.00 43.02 40.66 1dfa s PHE 155 CO 0.24 0.43 0.02 -2.00 -0.10 0.00 0.00 175.22 173.80 1dfa s GLU 156 N -0.64 2.58 0.05 0.44 2.56 -1.26 -2.41 118.70 120.01 1dfa s GLU 156 Ca 0.11 -1.17 -0.01 0.00 0.00 0.00 0.00 54.97 53.89 1dfa s GLU 156 Cb -0.12 -3.22 0.00 0.00 2.00 0.00 0.00 34.13 32.80 1dfa s GLU 156 CO 0.02 -0.58 0.09 -2.67 -0.56 0.00 0.00 175.26 171.56 1dfa n TRP 157 N 4.68 -0.89 -4.02 5.30 4.27 -0.84 -5.04 117.44 120.90 1dfa n TRP 157 Ca -0.14 -0.31 -0.11 0.00 -3.89 0.00 0.00 57.50 53.06 1dfa n TRP 157 Cb 0.44 0.11 -0.11 0.00 -1.36 0.00 0.00 31.31 30.39 1dfa n TRP 157 CO 0.00 0.00 0.00 -0.08 -2.29 0.00 0.00 177.69 175.32 1dfa s THR 158 N -2.68 0.31 -0.10 -1.67 -1.32 -1.26 -1.59 115.64 107.33 1dfa s THR 158 Ca 0.03 -0.96 -0.08 0.00 -1.21 0.00 0.00 61.69 59.47 1dfa s THR 158 Cb -0.00 -0.42 0.03 0.00 -1.51 0.00 0.00 72.50 70.60 1dfa s THR 158 CO 0.02 -0.43 0.25 -0.51 -2.21 0.00 0.00 174.62 171.75 1dfa s ILE 159 N -1.38 -0.01 0.32 5.08 2.07 -0.87 -4.96 121.20 121.43 1dfa s ILE 159 Ca -0.13 0.05 -0.28 0.00 -1.41 0.00 0.00 60.65 58.88 1dfa s ILE 159 Cb -0.10 -0.37 -0.09 0.00 0.13 0.00 0.00 42.46 42.03 1dfa s ILE 159 CO -0.00 0.02 1.14 -1.61 -1.91 0.00 0.00 174.94 172.58 1dfa s GLU 160 N 0.53 4.47 0.25 3.50 2.02 -1.25 -0.95 118.70 127.27 1dfa s GLU 160 Ca -0.03 1.86 -0.08 0.00 0.02 0.00 0.00 54.97 56.74 1dfa s GLU 160 Cb -0.05 -3.05 0.42 0.00 0.10 0.00 0.00 34.13 31.56 1dfa s GLU 160 CO -0.03 0.04 1.61 0.00 0.02 0.00 0.00 175.26 176.90 1dfa h ALA 161 N 3.47 0.71 0.00 5.21 0.00 -0.49 0.54 119.26 128.70 1dfa h ALA 161 Ca -0.48 0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1dfa h ALA 161 Cb 1.22 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1dfa h ALA 161 CO 0.66 -0.43 0.00 2.89 0.00 0.00 0.00 179.25 182.36 1dfa n ARG 162 N -5.44 0.10 0.00 0.00 1.85 -0.59 -2.97 116.66 109.61 1dfa n ARG 162 Ca 0.14 0.49 0.12 0.00 -1.00 0.00 0.00 57.85 57.59 1dfa n ARG 162 Cb 0.47 -1.76 0.15 0.00 -1.05 0.00 0.00 32.46 30.28 1dfa n ARG 162 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1dfa n ASP 163 N -1.95 1.01 -0.07 2.89 8.00 0.19 -4.33 116.55 122.28 1dfa n ASP 163 Ca 0.01 -0.80 0.08 0.00 0.71 0.00 0.00 54.79 54.78 1dfa n ASP 163 Cb 0.10 0.44 0.44 0.00 -0.02 0.00 0.00 41.12 42.07 1dfa n ASP 163 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1dfa h LEU 164 N 0.71 0.47 -2.51 0.64 -0.00 -1.58 -2.16 115.31 110.88 1dfa h LEU 164 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1dfa h LEU 164 Cb 0.54 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.10 1dfa h LEU 164 CO 0.00 0.31 0.00 0.77 -0.00 0.00 0.00 178.44 179.52 1dfa h SER 165 N 0.54 0.00 1.75 -0.43 4.64 -1.83 -1.23 113.55 116.99 1dfa h SER 165 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1dfa h SER 165 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1dfa h SER 165 CO -0.06 0.00 -0.10 -0.07 -0.87 0.00 0.00 176.83 175.73 1dfa h LEU 166 N 0.00 0.00 -9.93 5.97 3.38 -1.69 -3.46 115.31 109.57 1dfa h LEU 166 Ca 0.00 -0.01 -0.53 0.00 0.09 0.00 0.00 57.88 57.43 1dfa h LEU 166 Cb 0.00 0.00 0.10 0.00 0.09 0.00 0.00 40.66 40.85 1dfa h LEU 166 CO 0.00 0.00 0.72 -0.76 0.09 0.00 0.00 178.44 178.49 1dfa s LEU 167 N -5.66 4.31 0.55 1.67 1.43 -0.47 -5.01 118.68 115.50 1dfa s LEU 167 Ca 0.07 2.91 -0.17 0.00 -1.03 0.00 0.00 54.13 55.91 1dfa s LEU 167 Cb 0.07 -3.72 -0.06 0.00 0.03 0.00 0.00 46.19 42.52 1dfa s LEU 167 CO 0.66 -0.83 1.05 -0.83 0.23 0.00 0.00 176.35 176.64 1dfa s GLY 168 N -0.33 2.26 0.25 -3.19 0.00 -1.26 -4.81 107.32 100.24 1dfa s GLY 168 Ca 0.53 0.46 -0.14 0.00 0.00 0.00 0.00 44.72 45.58 1dfa s GLY 168 CO 0.59 0.78 1.56 0.23 0.00 0.00 0.00 173.10 176.25 1dfa h SER 169 N 0.86 -1.22 0.38 1.64 0.87 -1.98 -0.21 113.55 113.89 1dfa h SER 169 Ca -0.48 0.30 -0.02 0.00 -1.23 0.00 0.00 61.79 60.37 1dfa h SER 169 Cb 1.22 0.69 0.00 0.00 -0.44 0.00 0.00 62.40 63.88 1dfa h SER 169 CO 0.58 -0.30 -0.18 0.45 -0.53 0.00 0.00 176.83 176.84 1dfa h HIS 170 N -0.01 -0.47 -1.00 2.24 3.86 -2.00 -1.40 115.15 116.37 1dfa h HIS 170 Ca 0.40 -0.01 0.19 0.00 -1.16 0.00 0.00 60.37 59.79 1dfa h HIS 170 Cb 0.65 0.16 -0.10 0.00 1.06 0.00 0.00 27.41 29.17 1dfa h HIS 170 CO -0.82 -0.14 0.61 0.28 0.86 0.00 0.00 177.93 178.72 1dfa h VAL 171 N -0.93 0.70 -0.43 2.45 2.07 -1.87 -1.85 116.25 116.39 1dfa h VAL 171 Ca -0.05 -0.25 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 1dfa h VAL 171 Cb 0.54 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1dfa h VAL 171 CO 0.09 0.13 -0.08 -0.09 0.02 0.00 0.00 177.57 177.64 1dfa h ARG 172 N 0.73 0.81 0.00 1.57 9.65 -0.94 -2.35 114.38 123.85 1dfa h ARG 172 Ca 0.58 -0.30 -0.08 0.00 -1.10 0.00 0.00 59.98 59.08 1dfa h ARG 172 Cb 0.94 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.45 1dfa h ARG 172 CO -0.37 0.92 -0.40 0.87 2.80 0.00 0.00 179.97 183.79 1dfa h LYS 173 N 0.64 0.00 0.00 0.20 1.57 -0.49 -3.06 116.57 115.43 1dfa h LYS 173 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1dfa h LYS 173 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1dfa h LYS 173 CO 0.04 0.40 0.00 0.00 -0.57 0.00 0.00 179.45 179.31 1dfa h ALA 174 N 1.60 1.00 -2.46 3.86 0.00 -1.16 -3.47 119.26 118.64 1dfa h ALA 174 Ca -0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.42 1dfa h ALA 174 Cb 0.92 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1dfa h ALA 174 CO 0.05 0.00 0.27 0.99 0.00 0.00 0.00 179.25 180.56 1dfa s THR 175 N -3.19 4.34 0.17 0.00 2.01 -0.90 -4.46 115.64 113.60 1dfa s THR 175 Ca 0.08 1.63 -0.11 0.00 0.31 0.00 0.00 61.69 63.60 1dfa s THR 175 Cb 0.07 -3.94 0.00 0.00 0.01 0.00 0.00 72.50 68.64 1dfa s THR 175 CO 0.65 0.14 0.33 -0.72 -0.69 0.00 0.00 174.62 174.33 1dfa s TYR 176 N -1.61 0.27 0.55 4.92 1.13 -0.63 -4.60 117.35 117.38 1dfa s TYR 176 Ca 0.48 -0.63 0.08 0.00 -1.41 0.00 0.00 57.07 55.59 1dfa s TYR 176 Cb -0.18 0.05 0.06 0.00 -1.10 0.00 0.00 41.96 40.79 1dfa s TYR 176 CO 0.22 -0.75 0.63 -0.65 -2.51 0.00 0.00 175.55 172.49 1dfa s GLN 177 N -3.94 2.33 0.19 -3.49 -0.21 -0.57 -1.33 119.66 112.64 1dfa s GLN 177 Ca 0.15 -1.75 0.03 0.00 0.02 0.00 0.00 55.36 53.81 1dfa s GLN 177 Cb 0.02 -2.45 -0.05 0.00 1.00 0.00 0.00 33.01 31.54 1dfa s GLN 177 CO -0.01 -0.71 -0.02 0.95 -2.12 0.00 0.00 175.29 173.37 1dfa s THR 178 N -2.68 0.90 0.03 -0.19 -4.23 -1.26 -0.72 115.64 107.50 1dfa s THR 178 Ca 0.51 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 59.05 1dfa s THR 178 Cb -0.05 -2.14 -0.02 0.00 1.34 0.00 0.00 72.50 71.64 1dfa s THR 178 CO 0.32 -0.48 -0.13 -0.72 -0.54 0.00 0.00 174.62 173.07 1dfa s TYR 179 N -3.51 1.14 0.16 3.99 -0.85 0.14 -2.62 117.35 115.81 1dfa s TYR 179 Ca 0.24 -0.32 0.05 0.00 -0.52 0.00 0.00 57.07 56.52 1dfa s TYR 179 Cb 0.05 -0.69 -0.04 0.00 0.38 0.00 0.00 41.96 41.66 1dfa s TYR 179 CO 0.05 0.01 0.14 0.00 -1.52 0.00 0.00 175.55 174.24 1dfa s ALA 180 N -0.72 3.60 0.57 9.51 0.00 -0.96 -0.46 121.76 133.29 1dfa s ALA 180 Ca 0.02 -1.18 -0.16 0.00 0.00 0.00 0.00 51.96 50.63 1dfa s ALA 180 Cb -0.07 -1.40 -0.05 0.00 0.00 0.00 0.00 23.12 21.60 1dfa s ALA 180 CO 0.01 0.53 1.04 -1.25 0.00 0.00 0.00 175.76 176.08 1dfa s PRO 181 N -3.05 3.51 -0.96 0.00 0.04 -1.26 -4.84 135.00 128.43 1dfa s PRO 181 Ca 0.31 1.14 -0.18 0.00 0.04 0.00 0.00 61.00 62.30 1dfa s PRO 181 Cb -0.10 -2.06 0.13 0.00 0.04 0.00 0.00 34.50 32.50 1dfa s PRO 181 CO 0.24 -0.65 1.18 0.42 0.04 0.00 0.00 177.00 178.23 1dfa s ILE 182 N -2.49 4.71 -1.47 0.56 1.01 0.20 -4.83 121.20 118.89 1dfa s ILE 182 Ca 0.62 -1.64 0.26 0.00 0.00 0.00 0.00 60.65 59.89 1dfa s ILE 182 Cb -0.14 -4.81 0.48 0.00 0.01 0.00 0.00 42.46 38.00 1dfa s ILE 182 CO 0.35 -1.55 1.90 0.18 0.00 0.00 0.00 174.94 175.82 1dfa n LEU 183 N 6.59 0.00 -4.84 2.97 4.77 -1.26 -4.81 117.00 120.43 1dfa n LEU 183 Ca 0.26 0.27 -0.33 0.00 -0.03 0.00 0.00 56.01 56.18 1dfa n LEU 183 Cb 0.49 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.25 1dfa n LEU 183 CO 0.53 -0.03 0.55 -0.47 -1.33 0.00 0.00 177.39 176.63 1dfa s TYR 184 N -2.53 3.35 -0.05 -1.77 5.04 -1.26 -4.90 117.35 115.23 1dfa s TYR 184 Ca 0.26 1.41 -0.00 0.00 -2.44 0.00 0.00 57.07 56.30 1dfa s TYR 184 Cb 0.18 -2.70 0.03 0.00 0.35 0.00 0.00 41.96 39.82 1dfa s TYR 184 CO 0.40 -0.04 -0.00 -1.21 -1.34 0.00 0.00 175.55 173.36 1dfa s GLU 185 N -3.17 0.47 0.00 4.97 2.02 -1.24 -4.51 118.70 117.24 1dfa s GLU 185 Ca 0.58 0.08 0.00 0.00 0.02 0.00 0.00 54.97 55.65 1dfa s GLU 185 Cb -0.10 -0.71 0.00 0.00 0.10 0.00 0.00 34.13 33.42 1dfa s GLU 185 CO 0.16 -0.20 0.00 0.09 0.02 0.00 0.00 175.26 175.34 1dfa n ASN 186 N 4.55 0.00 -0.28 -0.19 5.03 0.23 -4.88 115.26 119.72 1dfa n ASN 186 Ca -0.18 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.27 1dfa n ASN 186 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.26 1dfa n ASN 186 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1dfa n ASP 187 N 0.00 0.00 -0.08 6.41 2.03 -1.26 -3.78 116.55 119.87 1dfa n ASP 187 Ca 0.00 -1.28 0.25 0.00 0.52 0.00 0.00 54.79 54.29 1dfa n ASP 187 Cb 0.00 -0.06 0.63 0.00 -0.72 0.00 0.00 41.12 40.98 1dfa n ASP 187 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 1dfa h HIS 188 N 0.00 0.00 0.23 -0.67 -0.00 -1.96 -0.31 115.15 112.44 1dfa h HIS 188 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1dfa h HIS 188 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.52 1dfa h HIS 188 CO -0.06 0.00 -0.11 0.35 -0.00 0.00 0.00 177.93 178.11 1dfa h PHE 189 N 0.00 -0.29 0.00 5.26 3.57 -1.94 -3.28 116.94 120.26 1dfa h PHE 189 Ca 0.36 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.79 1dfa h PHE 189 Cb 1.96 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 40.79 1dfa h PHE 189 CO 0.00 -0.03 -0.28 0.35 -2.23 0.00 0.00 178.31 176.12 1dfa h PHE 190 N -1.02 0.00 0.00 0.41 -0.00 -1.51 -1.25 116.94 113.57 1dfa h PHE 190 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.94 1dfa h PHE 190 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.34 1dfa h PHE 190 CO 0.04 0.28 0.00 -0.25 -0.00 0.00 0.00 178.31 178.38 1dfa n ASP 191 N -3.84 0.24 -4.26 0.41 8.00 -0.44 -3.79 116.55 112.88 1dfa n ASP 191 Ca -0.01 0.55 -0.44 0.00 0.71 0.00 0.00 54.79 55.59 1dfa n ASP 191 Cb 0.37 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 1dfa n ASP 191 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1dfa n TYR 192 N -1.75 4.47 -0.04 1.24 9.36 -0.47 -4.89 117.16 125.08 1dfa n TYR 192 Ca 0.04 -3.51 -0.11 0.00 3.32 0.00 0.00 57.90 57.64 1dfa n TYR 192 Cb 0.22 -1.66 -0.04 0.00 -0.63 0.00 0.00 39.34 37.23 1dfa n TYR 192 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1dfa h MET 193 N 6.37 0.23 0.00 2.98 -0.00 -1.79 -3.48 114.93 119.25 1dfa h MET 193 Ca 0.21 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.88 1dfa h MET 193 Cb 0.80 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 32.36 1dfa h MET 193 CO 1.14 0.23 0.00 0.94 -0.00 0.00 0.00 176.91 179.22 1dfa n GLN 194 N -4.92 0.00 -1.28 -0.10 -0.06 -1.26 -5.12 117.38 104.64 1dfa n GLN 194 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.96 1dfa n GLN 194 Cb 0.07 -1.93 0.00 0.00 -4.06 0.00 0.00 30.24 24.32 1dfa n GLN 194 CO 0.00 0.00 0.00 1.47 -0.20 0.00 0.00 177.06 178.33 1dfa n LEU 200 N 0.00 0.00 0.00 1.69 -0.00 -1.25 -5.04 117.00 112.39 1dfa n LEU 200 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1dfa n LEU 200 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1dfa n LEU 200 CO 0.00 -0.12 0.11 0.35 -0.00 0.00 0.00 177.39 177.73 1dfa n THR 201 N -0.25 0.00 -2.36 1.47 -2.24 -1.26 -3.71 114.28 105.93 1dfa n THR 201 Ca 0.00 0.34 -0.42 0.00 -2.27 0.00 0.00 64.05 61.70 1dfa n THR 201 Cb 0.00 -0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 67.74 1dfa n THR 201 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1dfa s ILE 202 N -2.70 3.98 0.00 2.28 -1.09 -1.26 -3.68 121.20 118.73 1dfa s ILE 202 Ca 0.00 1.36 0.00 0.00 -2.23 0.00 0.00 60.65 59.78 1dfa s ILE 202 Cb 0.00 -3.88 0.00 0.00 -1.58 0.00 0.00 42.46 37.00 1dfa s ILE 202 CO 0.00 0.03 0.00 -0.62 -1.23 0.00 0.00 174.94 173.12 1dfa n GLU 203 N 4.93 0.00 0.00 2.79 1.02 -1.24 -5.00 120.64 123.14 1dfa n GLU 203 Ca 0.11 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 1dfa n GLU 203 Cb 0.45 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 1dfa n GLU 203 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dfa n GLY 204 N -0.69 -1.56 0.50 0.62 0.00 -1.24 -3.87 105.19 98.95 1dfa n GLY 204 Ca 0.00 0.60 0.41 0.00 0.00 0.00 0.00 46.02 47.02 1dfa n GLY 204 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1dfa n PRO 205 N 0.00 -0.02 -0.03 1.61 -0.02 -1.26 -1.23 135.00 134.05 1dfa n PRO 205 Ca 0.00 1.09 -0.11 0.00 -2.02 0.00 0.00 63.50 62.46 1dfa n PRO 205 Cb 0.00 -2.25 -0.05 0.00 -0.02 0.00 0.00 33.50 31.18 1dfa n PRO 205 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1dfa h LYS 206 N 0.00 -0.41 -0.28 -0.52 3.64 -1.95 -1.68 116.57 115.37 1dfa h LYS 206 Ca 0.82 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 60.18 1dfa h LYS 206 Cb 2.86 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 34.76 1dfa h LYS 206 CO -0.29 -0.27 -0.04 -0.39 -2.27 0.00 0.00 179.45 176.18 1dfa h VAL 207 N -0.43 1.19 0.02 2.00 -1.51 -1.55 -0.52 116.25 115.46 1dfa h VAL 207 Ca 0.10 -0.79 -0.07 0.00 -1.23 0.00 0.00 66.70 64.70 1dfa h VAL 207 Cb 0.59 1.03 0.01 0.00 -2.13 0.00 0.00 31.29 30.79 1dfa h VAL 207 CO -0.42 0.26 -0.30 0.25 -1.23 0.00 0.00 177.57 176.13 1dfa h LEU 208 N 0.42 0.22 -1.13 4.19 5.85 -1.62 -0.62 115.31 122.63 1dfa h LEU 208 Ca 0.09 -0.86 0.06 0.00 0.84 0.00 0.00 57.88 58.01 1dfa h LEU 208 Cb 0.35 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 1dfa h LEU 208 CO 0.01 1.05 0.60 0.00 -0.34 0.00 0.00 178.44 179.77 1dfa h ALA 209 N 0.17 1.49 -0.12 1.25 0.00 -1.29 0.30 119.26 121.06 1dfa h ALA 209 Ca -0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1dfa h ALA 209 Cb 1.12 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1dfa h ALA 209 CO 0.06 0.38 0.01 -0.92 0.00 0.00 0.00 179.25 178.77 1dfa h TYR 210 N 1.06 0.21 0.00 0.00 3.20 -1.13 -2.65 116.97 117.66 1dfa h TYR 210 Ca 0.39 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.23 1dfa h TYR 210 Cb 0.18 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.39 1dfa h TYR 210 CO -0.00 0.41 0.00 -0.07 -1.64 0.00 0.00 178.16 176.86 1dfa h LEU 211 N -0.05 0.00 0.19 2.82 3.38 0.24 -1.66 115.31 120.24 1dfa h LEU 211 Ca 0.03 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.75 1dfa h LEU 211 Cb 0.32 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.10 1dfa h LEU 211 CO 0.00 0.00 -1.14 -0.07 0.09 0.00 0.00 178.44 177.33 1dfa h LEU 212 N 0.00 0.64 -0.96 1.67 3.38 -0.34 -2.46 115.31 117.24 1dfa h LEU 212 Ca 0.00 -0.94 -0.11 0.00 0.09 0.00 0.00 57.88 56.92 1dfa h LEU 212 Cb 0.37 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1dfa h LEU 212 CO 0.00 1.55 -0.49 1.23 0.09 0.00 0.00 178.44 180.82 1dfa h GLY 213 N -0.12 0.08 2.00 0.83 0.00 -1.33 -1.83 103.07 102.69 1dfa h GLY 213 Ca -0.20 -0.08 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 1dfa h GLY 213 CO 0.21 0.07 -0.45 -2.00 0.00 0.00 0.00 176.54 174.37 1dfa h LEU 214 N 0.06 0.00 0.13 3.11 5.85 -1.34 -2.57 115.31 120.54 1dfa h LEU 214 Ca -0.00 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.49 1dfa h LEU 214 Cb 0.88 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.94 1dfa h LEU 214 CO 0.07 0.45 -0.96 -0.25 -0.34 0.00 0.00 178.44 177.40 1dfa h TRP 215 N 0.00 0.73 0.00 1.25 7.01 -0.90 -1.07 115.95 122.97 1dfa h TRP 215 Ca -0.00 -0.49 -0.01 0.00 2.11 0.00 0.00 58.89 60.50 1dfa h TRP 215 Cb 0.81 -0.05 -0.00 0.00 -2.10 0.00 0.00 29.16 27.82 1dfa h TRP 215 CO 0.00 1.35 -0.06 0.82 -2.79 0.00 0.00 178.44 177.77 1dfa h ILE 216 N -0.10 0.43 0.00 2.65 2.04 -1.34 0.51 117.51 121.70 1dfa h ILE 216 Ca -0.16 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 1dfa h ILE 216 Cb 1.71 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 1dfa h ILE 216 CO 0.18 0.05 -0.37 1.23 0.00 0.00 0.00 178.15 179.25 1dfa h GLY 217 N 0.52 0.00 0.00 5.37 0.00 -1.42 -3.43 103.07 104.11 1dfa h GLY 217 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1dfa h GLY 217 CO 0.01 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.77 1dfa n ASP 218 N -4.62 0.54 -4.63 0.19 8.00 -0.41 -4.72 116.55 110.90 1dfa n ASP 218 Ca -0.12 -0.77 -0.30 0.00 0.71 0.00 0.00 54.79 54.31 1dfa n ASP 218 Cb 0.35 0.44 0.18 0.00 -0.02 0.00 0.00 41.12 42.08 1dfa n ASP 218 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1dfa s GLY 219 N -0.44 1.65 -0.17 0.44 0.00 0.18 -3.48 107.32 105.50 1dfa s GLY 219 Ca 0.00 0.41 -0.15 0.00 0.00 0.00 0.00 44.72 44.98 1dfa s GLY 219 CO 0.00 0.90 0.34 -2.27 0.00 0.00 0.00 173.10 172.06 1dfa s LEU 220 N -6.73 4.22 0.50 0.66 2.96 0.32 -4.89 118.68 115.71 1dfa s LEU 220 Ca 0.67 0.53 0.25 0.00 -0.22 0.00 0.00 54.13 55.36 1dfa s LEU 220 Cb -0.23 -2.44 1.32 0.00 0.50 0.00 0.00 46.19 45.34 1dfa s LEU 220 CO 0.59 0.04 1.92 0.28 -1.32 0.00 0.00 176.35 177.86 1dfa h SER 221 N 6.90 0.14 0.67 3.68 0.02 -1.94 -2.63 113.55 120.39 1dfa h SER 221 Ca -0.40 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1dfa h SER 221 Cb 1.17 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1dfa h SER 221 CO 0.74 0.06 -0.38 -0.90 -1.14 0.00 0.00 176.83 175.21 1dfa n ASP 222 N -4.38 0.40 -3.44 3.07 5.68 -1.26 -4.99 116.55 111.63 1dfa n ASP 222 Ca 0.16 -0.02 -0.02 0.00 -0.50 0.00 0.00 54.79 54.40 1dfa n ASP 222 Cb 0.75 0.05 0.02 0.00 -1.14 0.00 0.00 41.12 40.79 1dfa n ASP 222 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1dfa s ARG 223 N -3.02 1.18 -1.08 0.11 1.70 -0.99 -4.82 118.95 112.03 1dfa s ARG 223 Ca 0.11 -0.75 -0.19 0.00 -0.47 0.00 0.00 55.73 54.43 1dfa s ARG 223 Cb 0.17 0.33 -0.07 0.00 -0.57 0.00 0.00 34.95 34.82 1dfa s ARG 223 CO 0.66 -0.55 2.01 0.00 -1.08 0.00 0.00 175.30 176.34 1dfa n ALA 224 N -0.71 3.93 -3.68 7.88 0.00 -1.26 -3.82 120.51 122.86 1dfa n ALA 224 Ca -0.02 -3.52 -0.27 0.00 0.00 0.00 0.00 53.44 49.63 1dfa n ALA 224 Cb 0.59 -3.59 -0.17 0.00 0.00 0.00 0.00 19.45 16.29 1dfa n ALA 224 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1dfa s THR 225 N 4.92 0.23 0.23 0.00 -4.23 -1.26 -4.24 115.64 111.28 1dfa s THR 225 Ca 0.55 -0.34 0.02 0.00 -1.18 0.00 0.00 61.69 60.73 1dfa s THR 225 Cb 0.12 -0.79 0.04 0.00 1.34 0.00 0.00 72.50 73.21 1dfa s THR 225 CO 0.05 -0.23 0.32 0.49 -0.54 0.00 0.00 174.62 174.71 1dfa n PHE 226 N 5.16 -2.93 -3.19 3.99 3.01 -1.26 0.12 117.46 122.36 1dfa n PHE 226 Ca -0.08 -0.71 -0.21 0.00 1.01 0.00 0.00 57.45 57.46 1dfa n PHE 226 Cb 0.48 -0.22 -0.05 0.00 -0.01 0.00 0.00 39.48 39.68 1dfa n PHE 226 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1dfa n SER 227 N -2.84 0.74 -4.69 4.37 7.64 -1.23 -3.59 113.62 114.02 1dfa n SER 227 Ca 0.06 -2.90 -0.42 0.00 1.01 0.00 0.00 58.87 56.62 1dfa n SER 227 Cb 0.21 -0.63 -0.03 0.00 -1.01 0.00 0.00 64.21 62.76 1dfa n SER 227 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1dfa s VAL 228 N -1.95 2.54 0.04 0.44 1.01 -1.26 -4.91 120.40 116.31 1dfa s VAL 228 Ca 0.38 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.15 1dfa s VAL 228 Cb 0.26 -3.06 -0.07 0.00 0.00 0.00 0.00 36.38 33.51 1dfa s VAL 228 CO -0.09 0.00 1.60 -0.62 0.00 0.00 0.00 175.10 175.99 1dfa s ASP 229 N 2.55 6.66 0.11 3.32 2.15 -1.26 -4.97 116.67 125.24 1dfa s ASP 229 Ca 0.80 2.38 -0.34 0.00 0.43 0.00 0.00 52.55 55.81 1dfa s ASP 229 Cb -0.46 -2.56 -0.13 0.00 -0.30 0.00 0.00 42.92 39.48 1dfa s ASP 229 CO 0.36 -0.86 1.56 0.28 -0.17 0.00 0.00 175.17 176.34 1dfa h SER 230 N 8.41 -1.60 -0.67 -0.34 0.02 -2.03 -1.90 113.55 115.44 1dfa h SER 230 Ca -0.41 0.18 0.19 0.00 -0.84 0.00 0.00 61.79 60.91 1dfa h SER 230 Cb 1.19 0.61 -0.03 0.00 0.14 0.00 0.00 62.40 64.32 1dfa h SER 230 CO 0.93 -0.52 0.65 0.08 -1.14 0.00 0.00 176.83 176.83 1dfa h ARG 231 N -0.67 0.00 -4.68 3.45 0.11 -2.04 -3.21 114.38 107.35 1dfa h ARG 231 Ca 0.02 0.00 -0.71 0.00 0.10 0.00 0.00 59.98 59.38 1dfa h ARG 231 Cb 0.72 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 31.70 1dfa h ARG 231 CO -0.35 0.00 2.30 -3.47 0.10 0.00 0.00 179.97 178.55 1dfa n ASP 232 N -3.75 4.70 -0.34 0.08 4.64 -0.71 -4.75 116.55 116.42 1dfa n ASP 232 Ca 0.14 -2.94 -0.02 0.00 -1.38 0.00 0.00 54.79 50.58 1dfa n ASP 232 Cb 0.89 -1.64 0.10 0.00 -1.04 0.00 0.00 41.12 39.44 1dfa n ASP 232 CO 0.00 0.00 0.00 0.74 -0.82 0.00 0.00 177.20 177.12 1dfa h THR 233 N 4.60 1.20 -0.46 5.18 2.02 -1.78 -1.87 112.91 121.79 1dfa h THR 233 Ca 0.45 -0.41 0.03 0.00 0.77 0.00 0.00 66.41 67.25 1dfa h THR 233 Cb 0.76 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1dfa h THR 233 CO 1.58 0.22 0.31 0.77 0.37 0.00 0.00 175.52 178.76 1dfa h SER 234 N 1.19 0.45 0.22 4.18 4.64 -1.88 -0.81 113.55 121.54 1dfa h SER 234 Ca 0.34 -0.01 -0.34 0.00 -0.47 0.00 0.00 61.79 61.31 1dfa h SER 234 Cb -0.08 -0.10 0.02 0.00 -0.31 0.00 0.00 62.40 61.93 1dfa h SER 234 CO -0.09 0.31 -1.62 0.25 -0.87 0.00 0.00 176.83 174.81 1dfa h LEU 235 N 0.52 0.73 -1.40 5.97 5.85 -1.68 -2.82 115.31 122.49 1dfa h LEU 235 Ca 0.18 -0.93 0.09 0.00 0.84 0.00 0.00 57.88 58.06 1dfa h LEU 235 Cb 0.09 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 1dfa h LEU 235 CO -0.05 1.75 0.49 0.24 -0.34 0.00 0.00 178.44 180.54 1dfa h MET 236 N 0.12 0.67 -0.64 1.25 2.86 -1.04 0.76 114.93 118.91 1dfa h MET 236 Ca -0.30 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.25 1dfa h MET 236 Cb 2.13 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 33.61 1dfa h MET 236 CO 0.23 0.44 0.21 1.49 1.06 0.00 0.00 176.91 180.34 1dfa h GLU 237 N 0.69 0.98 0.44 1.72 4.81 -1.15 -2.35 114.58 119.72 1dfa h GLU 237 Ca 0.34 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1dfa h GLU 237 Cb 0.41 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1dfa h GLU 237 CO -0.12 0.86 -0.21 -0.09 -0.73 0.00 0.00 179.01 178.71 1dfa h ARG 238 N 0.91 -0.57 -0.61 1.92 9.65 -0.73 -1.03 114.38 123.93 1dfa h ARG 238 Ca 0.21 0.04 0.12 0.00 -1.10 0.00 0.00 59.98 59.25 1dfa h ARG 238 Cb 0.28 0.13 -0.10 0.00 -1.39 0.00 0.00 29.97 28.89 1dfa h ARG 238 CO -0.01 -0.27 0.05 0.28 2.80 0.00 0.00 179.97 182.83 1dfa h VAL 239 N -0.88 0.55 -0.16 0.20 2.07 -0.95 0.53 116.25 117.62 1dfa h VAL 239 Ca -0.06 -0.06 -0.16 0.00 0.82 0.00 0.00 66.70 67.24 1dfa h VAL 239 Cb 0.57 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1dfa h VAL 239 CO 0.10 0.03 -0.58 0.74 0.02 0.00 0.00 177.57 177.88 1dfa h THR 240 N 0.17 1.33 0.48 2.57 2.02 -1.48 -1.55 112.91 116.46 1dfa h THR 240 Ca 0.32 -1.85 -0.02 0.00 0.77 0.00 0.00 66.41 65.62 1dfa h THR 240 Cb 0.50 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 1dfa h THR 240 CO -0.47 0.57 -0.23 -0.08 0.37 0.00 0.00 175.52 175.68 1dfa h GLU 241 N 0.40 -0.62 -0.54 6.66 4.81 -0.05 -2.94 114.58 122.29 1dfa h GLU 241 Ca 0.00 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1dfa h GLU 241 Cb 1.13 0.14 -0.05 0.00 0.63 0.00 0.00 28.75 30.60 1dfa h GLU 241 CO 0.11 -0.32 0.26 1.88 -0.73 0.00 0.00 179.01 180.21 1dfa h TYR 242 N -0.94 0.47 -0.35 0.92 -1.99 -0.02 -2.51 116.97 112.54 1dfa h TYR 242 Ca -0.07 0.02 0.07 0.00 2.00 0.00 0.00 58.73 60.76 1dfa h TYR 242 Cb 0.59 -0.13 -0.07 0.00 2.00 0.00 0.00 36.73 39.13 1dfa h TYR 242 CO 0.01 0.21 -0.09 0.00 -0.00 0.00 0.00 178.16 178.29 1dfa h ALA 243 N 1.31 0.24 -0.76 3.88 0.00 -1.33 -0.71 119.26 121.89 1dfa h ALA 243 Ca 0.25 0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.41 1dfa h ALA 243 Cb 0.19 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 1dfa h ALA 243 CO -0.19 -0.46 0.37 1.49 0.00 0.00 0.00 179.25 180.46 1dfa h GLU 244 N 0.00 0.58 0.00 0.00 4.81 -1.27 0.74 114.58 119.44 1dfa h GLU 244 Ca 0.17 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1dfa h GLU 244 Cb 0.26 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1dfa h GLU 244 CO -0.36 0.38 -0.21 0.87 -0.73 0.00 0.00 179.01 178.96 1dfa h LYS 245 N 0.60 0.00 -0.55 1.92 1.57 -0.75 -0.76 116.57 118.59 1dfa h LYS 245 Ca 0.39 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.14 1dfa h LYS 245 Cb 0.48 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1dfa h LYS 245 CO -0.31 0.21 0.04 -0.11 -0.57 0.00 0.00 179.45 178.70 1dfa n LEU 246 N -4.09 5.54 0.00 2.94 7.94 0.07 -4.97 117.00 124.44 1dfa n LEU 246 Ca -0.02 -3.00 0.00 0.00 -1.11 0.00 0.00 56.01 51.88 1dfa n LEU 246 Cb 0.28 -0.68 0.00 0.00 0.53 0.00 0.00 43.42 43.55 1dfa n LEU 246 CO 0.35 0.67 0.00 0.59 -1.11 0.00 0.00 177.39 177.89 1dfa n ASN 247 N 0.34 0.00 -3.13 1.96 5.03 -0.17 -4.97 115.26 114.32 1dfa n ASN 247 Ca 0.29 0.00 -0.11 0.00 0.87 0.00 0.00 54.58 55.63 1dfa n ASN 247 Cb 1.19 0.00 0.11 0.00 -1.02 0.00 0.00 39.78 40.06 1dfa n ASN 247 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1dfa n LEU 248 N 0.00 0.00 0.00 3.41 -0.00 -0.96 -4.57 117.00 114.88 1dfa n LEU 248 Ca 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 56.01 55.69 1dfa n LEU 248 Cb 0.00 -0.40 0.00 0.00 -0.00 0.00 0.00 43.42 43.02 1dfa n LEU 248 CO 0.00 -1.98 0.00 0.00 -0.00 0.00 0.00 177.39 175.41 1dfa n ALA 250 N -0.34 0.00 0.45 0.00 0.00 -1.26 -4.86 120.51 114.50 1dfa n ALA 250 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1dfa n ALA 250 Cb 0.00 -0.15 0.19 0.00 0.00 0.00 0.00 19.45 19.49 1dfa n ALA 250 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1dfa n GLU 251 N -1.86 0.22 -3.21 0.00 0.28 -1.26 -4.27 120.64 110.53 1dfa n GLU 251 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.97 1dfa n GLU 251 Cb 0.00 -1.43 -0.02 0.00 1.43 0.00 0.00 31.44 31.41 1dfa n GLU 251 CO 0.00 0.00 0.00 1.52 -0.16 0.00 0.00 177.13 178.49 1dfa s TYR 252 N -2.00 -1.45 0.00 -1.84 -0.85 -1.26 -4.60 117.35 105.35 1dfa s TYR 252 Ca 0.09 -0.01 0.00 0.00 -0.52 0.00 0.00 57.07 56.64 1dfa s TYR 252 Cb 0.04 0.18 0.00 0.00 0.38 0.00 0.00 41.96 42.56 1dfa s TYR 252 CO 0.07 -1.14 0.23 1.63 -1.52 0.00 0.00 175.55 174.82 1dfa n LYS 253 N 4.29 0.00 -0.40 -3.49 5.02 -1.24 -4.08 118.16 118.26 1dfa n LYS 253 Ca 0.12 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1dfa n LYS 253 Cb 0.55 -0.06 0.00 0.00 -0.02 0.00 0.00 35.03 35.49 1dfa n LYS 253 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1dfa n ASN 281 N 0.00 0.00 -0.42 4.39 4.05 -1.26 -4.79 115.26 117.23 1dfa n ASN 281 Ca 0.00 -1.44 0.04 0.00 0.45 0.00 0.00 54.58 53.64 1dfa n ASN 281 Cb 0.51 -0.09 -0.02 0.00 1.23 0.00 0.00 39.78 41.41 1dfa n ASN 281 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 1dfa n THR 282 N 0.00 -0.34 -1.84 -0.44 -2.24 -1.26 -4.50 114.28 103.66 1dfa n THR 282 Ca 0.00 0.29 -0.42 0.00 -2.27 0.00 0.00 64.05 61.65 1dfa n THR 282 Cb 0.59 -0.45 -0.01 0.00 -2.10 0.00 0.00 70.33 68.36 1dfa n THR 282 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1dfa n GLU 283 N -2.58 2.70 -3.72 -0.78 0.00 -1.26 -4.80 120.64 110.20 1dfa n GLU 283 Ca -0.02 -2.63 -0.37 0.00 0.00 0.00 0.00 57.16 54.13 1dfa n GLU 283 Cb 0.19 -3.30 -0.11 0.00 0.00 0.00 0.00 31.44 28.22 1dfa n GLU 283 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 1dfa s ASN 284 N 3.77 5.36 0.00 4.31 3.84 -1.26 -5.00 114.94 125.95 1dfa s ASN 284 Ca 0.51 -2.10 0.00 0.00 0.21 0.00 0.00 52.86 51.47 1dfa s ASN 284 Cb 0.12 -1.87 0.00 0.00 -0.55 0.00 0.00 41.25 38.94 1dfa s ASN 284 CO -0.02 -0.56 0.44 -0.81 -2.79 0.00 0.00 177.10 173.36 1dfa n PRO 285 N 4.54 0.00 -0.09 0.43 -0.04 -1.26 -0.14 135.00 138.43 1dfa n PRO 285 Ca -0.02 0.10 -0.23 0.00 -0.04 0.00 0.00 63.50 63.31 1dfa n PRO 285 Cb 0.41 -1.62 -0.12 0.00 -0.04 0.00 0.00 33.50 32.13 1dfa n PRO 285 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1dfa n LEU 286 N -0.94 2.45 0.16 1.53 0.00 -1.26 -3.55 117.00 115.39 1dfa n LEU 286 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 56.01 56.18 1dfa n LEU 286 Cb 0.12 -0.95 0.26 0.00 0.00 0.00 0.00 43.42 42.85 1dfa n LEU 286 CO 0.00 0.71 0.60 -0.25 0.00 0.00 0.00 177.39 178.45 1dfa h TRP 287 N -0.41 0.01 0.00 1.96 2.91 -0.90 -2.21 115.95 117.31 1dfa h TRP 287 Ca -0.53 -0.00 -0.08 0.00 1.13 0.00 0.00 58.89 59.40 1dfa h TRP 287 Cb 1.76 -0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 30.40 1dfa h TRP 287 CO 0.02 0.51 -0.38 -0.44 -1.03 0.00 0.00 178.44 177.12 1dfa h ASP 288 N 0.00 0.00 0.77 2.65 3.45 -1.16 -2.99 116.42 119.15 1dfa h ASP 288 Ca -0.00 0.00 -0.25 0.00 0.43 0.00 0.00 57.03 57.21 1dfa h ASP 288 Cb 0.89 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.63 1dfa h ASP 288 CO 0.07 0.38 -1.28 0.00 -1.57 0.00 0.00 179.24 176.84 1dfa h ALA 289 N 1.62 0.46 -0.63 3.45 0.00 -1.53 0.24 119.26 122.88 1dfa h ALA 289 Ca -0.00 -1.10 -0.01 0.00 0.00 0.00 0.00 54.91 53.80 1dfa h ALA 289 Cb 0.77 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1dfa h ALA 289 CO 0.05 1.33 0.37 0.82 0.00 0.00 0.00 179.25 181.81 1dfa h ILE 290 N 0.01 1.19 0.21 0.00 2.04 -1.32 0.11 117.51 119.74 1dfa h ILE 290 Ca -0.12 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 1dfa h ILE 290 Cb 1.88 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 1dfa h ILE 290 CO 0.12 0.20 -0.10 0.58 0.00 0.00 0.00 178.15 178.95 1dfa h VAL 291 N 0.85 0.14 -0.14 1.67 2.07 -1.61 0.72 116.25 119.95 1dfa h VAL 291 Ca 0.22 -0.86 0.03 0.00 0.82 0.00 0.00 66.70 66.91 1dfa h VAL 291 Cb 0.00 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 29.98 1dfa h VAL 291 CO -0.04 0.04 -0.08 1.23 0.02 0.00 0.00 177.57 178.74 1dfa h GLY 292 N -1.06 0.04 1.02 2.17 0.00 -0.49 -2.65 103.07 102.10 1dfa h GLY 292 Ca -0.03 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1dfa h GLY 292 CO 0.05 -0.10 0.00 1.04 0.00 0.00 0.00 176.54 177.53 1dfa n LEU 293 N -5.22 0.00 0.00 3.11 4.77 0.36 -4.93 117.00 115.09 1dfa n LEU 293 Ca -0.03 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1dfa n LEU 293 Cb 0.15 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1dfa n LEU 293 CO 0.25 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 1dfa n GLY 294 N 0.87 0.77 0.32 -0.72 0.00 -1.00 -4.77 105.19 100.67 1dfa n GLY 294 Ca 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1dfa n GLY 294 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1dfa n PHE 295 N -2.43 0.00 -3.46 1.61 3.01 0.25 -4.04 117.46 112.41 1dfa n PHE 295 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.18 1dfa n PHE 295 Cb 0.00 -0.03 -0.12 0.00 -0.01 0.00 0.00 39.48 39.32 1dfa n PHE 295 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1dfa s LEU 296 N -0.35 0.85 -1.17 4.37 1.43 -1.23 -1.10 118.68 121.48 1dfa s LEU 296 Ca 0.00 -2.08 -0.21 0.00 -1.03 0.00 0.00 54.13 50.81 1dfa s LEU 296 Cb 0.00 -0.30 -0.01 0.00 0.03 0.00 0.00 46.19 45.91 1dfa s LEU 296 CO 0.00 -0.31 1.80 -0.75 0.23 0.00 0.00 176.35 177.31 1dfa s LYS 297 N 1.17 3.20 -0.59 1.70 2.47 0.66 -4.24 119.74 124.11 1dfa s LYS 297 Ca 0.17 -1.35 -0.06 0.00 -1.56 0.00 0.00 55.97 53.18 1dfa s LYS 297 Cb -0.22 -5.34 0.01 0.00 -1.46 0.00 0.00 37.83 30.81 1dfa s LYS 297 CO -0.01 -3.03 0.63 -0.25 0.16 0.00 0.00 175.35 172.84 1dfa n ASP 298 N 11.39 -7.58 -3.99 1.43 9.92 -1.26 -3.46 116.55 122.99 1dfa n ASP 298 Ca 0.44 0.15 -0.32 0.00 -0.53 0.00 0.00 54.79 54.54 1dfa n ASP 298 Cb 0.47 -5.14 0.01 0.00 -0.64 0.00 0.00 41.12 35.82 1dfa n ASP 298 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1dfa n GLY 299 N -1.19 -0.48 3.43 0.44 0.00 -1.26 -4.95 105.19 101.17 1dfa n GLY 299 Ca 0.04 0.18 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 1dfa n GLY 299 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dfa s VAL 300 N -3.31 -0.00 0.33 1.61 0.11 -1.22 -5.14 120.40 112.77 1dfa s VAL 300 Ca 0.67 0.02 -0.28 0.00 -2.93 0.00 0.00 61.98 59.45 1dfa s VAL 300 Cb -0.34 -0.75 -0.12 0.00 -1.53 0.00 0.00 36.38 33.63 1dfa s VAL 300 CO 0.85 0.01 1.35 0.29 -3.33 0.00 0.00 175.10 174.27 1dfa n LYS 301 N 3.22 2.23 -3.87 1.54 5.02 -1.26 0.24 118.16 125.28 1dfa n LYS 301 Ca -0.16 0.78 -0.11 0.00 -2.02 0.00 0.00 58.31 56.81 1dfa n LYS 301 Cb 0.56 -2.41 -0.10 0.00 -0.02 0.00 0.00 35.03 33.07 1dfa n LYS 301 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1dfa s ASN 302 N -0.17 0.04 -0.38 4.39 2.47 -0.26 -4.15 114.94 116.88 1dfa s ASN 302 Ca 0.57 -0.26 -0.03 0.00 0.42 0.00 0.00 52.86 53.55 1dfa s ASN 302 Cb -0.56 0.22 0.09 0.00 -1.45 0.00 0.00 41.25 39.55 1dfa s ASN 302 CO 0.60 -0.42 0.16 -0.63 -3.72 0.00 0.00 177.10 173.09 1dfa s ILE 303 N -1.71 3.32 0.35 -5.21 1.01 -1.26 -4.30 121.20 113.40 1dfa s ILE 303 Ca -0.12 -1.80 -0.27 0.00 0.00 0.00 0.00 60.65 58.46 1dfa s ILE 303 Cb -0.06 -3.16 -0.12 0.00 0.01 0.00 0.00 42.46 39.13 1dfa s ILE 303 CO 0.00 -0.52 1.11 -2.65 0.00 0.00 0.00 174.94 172.88 1dfa n PRO 304 N 4.64 1.62 -0.19 2.79 -0.02 -1.26 -4.66 135.00 137.92 1dfa n PRO 304 Ca -0.06 0.57 0.01 0.00 -2.02 0.00 0.00 63.50 62.00 1dfa n PRO 304 Cb 0.42 -2.08 0.26 0.00 -0.02 0.00 0.00 33.50 32.08 1dfa n PRO 304 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1dfa h SER 305 N 2.03 0.82 -0.08 2.55 0.87 -1.95 -2.55 113.55 115.23 1dfa h SER 305 Ca -0.44 -0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.12 1dfa h SER 305 Cb 1.32 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1dfa h SER 305 CO 0.60 0.61 0.21 2.19 -0.53 0.00 0.00 176.83 179.90 1dfa h PHE 306 N 0.96 0.00 0.00 2.24 -5.15 -1.95 -0.86 116.94 112.18 1dfa h PHE 306 Ca 0.26 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 58.02 1dfa h PHE 306 Cb -0.09 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.08 1dfa h PHE 306 CO 0.00 0.00 -0.02 -0.07 -2.00 0.00 0.00 178.31 176.22 1dfa h LEU 307 N 0.00 0.00 -0.01 2.10 4.07 -1.84 -2.72 115.31 116.90 1dfa h LEU 307 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1dfa h LEU 307 Cb 0.45 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.19 1dfa h LEU 307 CO -0.00 0.02 0.00 -1.20 -1.08 0.00 0.00 178.44 176.18 1dfa n SER 308 N -3.79 0.09 0.00 -0.43 7.64 -0.33 -3.83 113.62 112.97 1dfa n SER 308 Ca -0.03 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.36 1dfa n SER 308 Cb 0.11 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 1dfa n SER 308 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1dfa n THR 309 N -1.58 0.32 -0.84 0.44 -2.24 -1.05 -4.79 114.28 104.53 1dfa n THR 309 Ca 0.06 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1dfa n THR 309 Cb 0.32 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 1dfa n THR 309 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1dfa n ASP 310 N -0.16 0.00 -4.69 3.42 2.03 -1.07 0.76 116.55 116.83 1dfa n ASP 310 Ca 0.00 -0.34 -0.43 0.00 0.52 0.00 0.00 54.79 54.54 1dfa n ASP 310 Cb 0.32 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.69 1dfa n ASP 310 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1dfa n ASN 311 N -1.03 3.98 -0.04 1.67 2.85 -1.25 -4.19 115.26 117.24 1dfa n ASN 311 Ca 0.00 0.99 -0.09 0.00 -0.11 0.00 0.00 54.58 55.37 1dfa n ASN 311 Cb 0.00 -1.53 -0.02 0.00 1.24 0.00 0.00 39.78 39.46 1dfa n ASN 311 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1dfa h ILE 312 N 4.64 0.34 -0.91 -1.44 1.08 -1.94 -1.53 117.51 117.76 1dfa h ILE 312 Ca -0.46 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.16 1dfa h ILE 312 Cb 1.23 0.34 -0.09 0.00 -3.07 0.00 0.00 36.82 35.22 1dfa h ILE 312 CO 0.95 0.00 0.51 1.23 -0.69 0.00 0.00 178.15 180.14 1dfa h GLY 313 N -0.29 1.51 2.00 5.37 0.00 -1.99 0.16 103.07 109.84 1dfa h GLY 313 Ca 0.13 -0.31 -0.08 0.00 0.00 0.00 0.00 47.33 47.07 1dfa h GLY 313 CO -0.39 -0.01 -0.39 -0.84 0.00 0.00 0.00 176.54 174.92 1dfa h THR 314 N 0.72 1.23 -0.15 4.70 2.02 -1.70 -0.27 112.91 119.46 1dfa h THR 314 Ca 0.49 -1.34 -0.06 0.00 0.77 0.00 0.00 66.41 66.27 1dfa h THR 314 Cb 0.67 1.73 -0.00 0.00 -1.74 0.00 0.00 68.15 68.81 1dfa h THR 314 CO -0.35 0.38 -0.13 0.03 0.37 0.00 0.00 175.52 175.82 1dfa h ARG 315 N 0.00 0.36 -0.36 6.66 3.08 -0.22 -2.33 114.38 121.56 1dfa h ARG 315 Ca -0.00 -0.18 -0.08 0.00 0.07 0.00 0.00 59.98 59.78 1dfa h ARG 315 Cb 0.70 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 1dfa h ARG 315 CO 0.05 0.72 -0.12 0.93 -1.07 0.00 0.00 179.97 180.48 1dfa h GLU 316 N 0.00 0.64 -0.14 0.04 5.08 -0.90 -2.63 114.58 116.67 1dfa h GLU 316 Ca 0.03 -0.20 -0.16 0.00 -1.00 0.00 0.00 59.36 58.03 1dfa h GLU 316 Cb 0.64 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1dfa h GLU 316 CO 0.03 0.74 -0.59 1.15 -1.00 0.00 0.00 179.01 179.35 1dfa h THR 317 N 0.58 1.34 -0.24 1.13 2.02 -1.01 -2.75 112.91 113.98 1dfa h THR 317 Ca 0.10 -1.88 -0.01 0.00 0.77 0.00 0.00 66.41 65.39 1dfa h THR 317 Cb 0.55 1.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.81 1dfa h THR 317 CO 0.03 0.58 0.09 0.15 0.37 0.00 0.00 175.52 176.74 1dfa h PHE 318 N 0.35 0.36 -0.87 3.16 3.57 -1.31 -2.76 116.94 119.44 1dfa h PHE 318 Ca -0.00 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.52 1dfa h PHE 318 Cb 1.13 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.71 1dfa h PHE 318 CO 0.04 0.39 0.57 -0.07 -2.23 0.00 0.00 178.31 177.01 1dfa h LEU 319 N 0.23 0.90 -0.17 0.59 3.38 -1.45 -2.65 115.31 116.14 1dfa h LEU 319 Ca 0.08 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1dfa h LEU 319 Cb 0.18 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1dfa h LEU 319 CO -0.01 0.59 0.10 0.00 0.09 0.00 0.00 178.44 179.22 1dfa h ALA 320 N 1.51 0.21 -0.81 1.53 0.00 -1.41 -0.59 119.26 119.70 1dfa h ALA 320 Ca 0.36 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1dfa h ALA 320 Cb 0.13 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1dfa h ALA 320 CO -0.12 -0.29 0.38 0.78 0.00 0.00 0.00 179.25 180.00 1dfa h GLY 321 N 0.20 1.26 1.67 0.00 0.00 -1.33 0.23 103.07 105.10 1dfa h GLY 321 Ca 0.06 -0.63 -0.10 0.00 0.00 0.00 0.00 47.33 46.67 1dfa h GLY 321 CO -0.01 0.59 -0.31 1.41 0.00 0.00 0.00 176.54 178.22 1dfa h LEU 322 N 1.16 0.39 -0.03 3.11 3.38 -1.37 -1.02 115.31 120.93 1dfa h LEU 322 Ca 0.28 -0.14 -0.26 0.00 0.09 0.00 0.00 57.88 57.85 1dfa h LEU 322 Cb 0.13 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.78 1dfa h LEU 322 CO -0.03 0.68 -1.08 0.40 0.09 0.00 0.00 178.44 178.50 1dfa h ILE 323 N 0.33 1.37 -0.57 1.22 2.04 -0.65 -2.71 117.51 118.52 1dfa h ILE 323 Ca 0.04 -2.51 -0.04 0.00 1.00 0.00 0.00 64.86 63.35 1dfa h ILE 323 Cb 0.72 2.57 -0.03 0.00 -0.74 0.00 0.00 36.82 39.34 1dfa h ILE 323 CO 0.05 0.76 0.22 0.44 0.00 0.00 0.00 178.15 179.62 1dfa h ASP 324 N 0.24 0.80 0.16 1.72 3.32 -0.39 -1.48 116.42 120.80 1dfa h ASP 324 Ca -0.12 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 1dfa h ASP 324 Cb 1.75 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 41.09 1dfa h ASP 324 CO 0.20 0.76 -0.08 0.77 -1.72 0.00 0.00 179.24 179.17 1dfa h SER 325 N 0.79 -0.18 -0.43 6.45 4.64 -1.23 -3.42 113.55 120.17 1dfa h SER 325 Ca 0.19 0.01 -0.31 0.00 -0.47 0.00 0.00 61.79 61.21 1dfa h SER 325 Cb 0.21 0.05 -0.37 0.00 -0.31 0.00 0.00 62.40 61.99 1dfa h SER 325 CO -0.01 -0.07 -0.94 -0.67 -0.87 0.00 0.00 176.83 174.26 1dfa n ASP 326 N -2.90 2.63 -4.29 4.97 4.64 -1.02 -4.89 116.55 115.68 1dfa n ASP 326 Ca -0.03 -2.79 -0.22 0.00 -1.38 0.00 0.00 54.79 50.37 1dfa n ASP 326 Cb 0.08 -0.41 -0.01 0.00 -1.04 0.00 0.00 41.12 39.74 1dfa n ASP 326 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1dfa n GLY 327 N -0.54 2.94 3.64 0.27 0.00 -0.56 -2.79 105.19 108.14 1dfa n GLY 327 Ca 0.20 -2.29 -0.10 0.00 0.00 0.00 0.00 46.02 43.84 1dfa n GLY 327 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1dfa s TYR 328 N -2.27 -0.75 0.04 1.61 -0.85 -0.85 -4.86 117.35 109.43 1dfa s TYR 328 Ca 0.21 1.69 0.02 0.00 -0.52 0.00 0.00 57.07 58.48 1dfa s TYR 328 Cb -0.02 0.39 -0.04 0.00 0.38 0.00 0.00 41.96 42.67 1dfa s TYR 328 CO 0.14 -0.36 0.03 0.54 -1.52 0.00 0.00 175.55 174.37 1dfa s VAL 329 N 0.74 4.29 0.21 -3.49 0.11 -1.26 -1.21 120.40 119.79 1dfa s VAL 329 Ca -0.03 -0.72 0.04 0.00 -2.93 0.00 0.00 61.98 58.34 1dfa s VAL 329 Cb -0.05 -2.99 -0.05 0.00 -1.53 0.00 0.00 36.38 31.76 1dfa s VAL 329 CO -0.07 0.24 -0.03 0.42 -3.33 0.00 0.00 175.10 172.32 1dfa s THR 330 N -1.24 1.07 0.00 5.04 -4.23 -0.03 -4.99 115.64 111.25 1dfa s THR 330 Ca 0.24 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 1dfa s THR 330 Cb -0.12 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.52 1dfa s THR 330 CO 0.16 -0.45 0.09 0.47 -0.54 0.00 0.00 174.62 174.35 1dfa n ASP 331 N -0.35 0.18 0.00 3.99 10.43 -1.26 -1.73 116.55 127.80 1dfa n ASP 331 Ca -0.06 -0.61 0.00 0.00 2.57 0.00 0.00 54.79 56.68 1dfa n ASP 331 Cb 0.63 0.15 0.00 0.00 1.84 0.00 0.00 41.12 43.74 1dfa n ASP 331 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1dfa n GLU 332 N -0.15 0.00 -3.26 -1.24 4.71 -1.26 -2.48 120.64 116.96 1dfa n GLU 332 Ca 0.00 0.45 -0.33 0.00 -0.01 0.00 0.00 57.16 57.27 1dfa n GLU 332 Cb 0.09 -0.84 -0.05 0.00 -1.01 0.00 0.00 31.44 29.63 1dfa n GLU 332 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1dfa n HIS 333 N -1.17 3.11 0.00 -0.32 8.25 -1.26 -4.97 115.22 118.86 1dfa n HIS 333 Ca 0.00 -3.54 0.00 0.00 -0.26 0.00 0.00 57.72 53.92 1dfa n HIS 333 Cb 0.00 -0.83 0.00 0.00 1.12 0.00 0.00 29.99 30.28 1dfa n HIS 333 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dfa n GLY 334 N 1.03 0.79 3.69 -1.41 0.00 -1.04 -4.96 105.19 103.29 1dfa n GLY 334 Ca 0.28 -1.48 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 1dfa n GLY 334 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1dfa n ILE 335 N 1.19 1.68 -3.65 -0.61 0.13 -1.26 -4.40 119.36 112.44 1dfa n ILE 335 Ca 0.00 -0.42 -0.14 0.00 -1.10 0.00 0.00 62.75 61.09 1dfa n ILE 335 Cb 0.00 -1.55 -0.08 0.00 -0.84 0.00 0.00 39.64 37.17 1dfa n ILE 335 CO 0.00 0.00 0.00 -0.75 2.80 0.00 0.00 176.55 178.60 1dfa s LYS 336 N -1.42 0.76 0.07 9.51 2.20 -0.71 -4.52 119.74 125.63 1dfa s LYS 336 Ca 0.59 0.68 0.08 0.00 -0.36 0.00 0.00 55.97 56.97 1dfa s LYS 336 Cb -0.59 0.37 -0.03 0.00 -1.51 0.00 0.00 37.83 36.06 1dfa s LYS 336 CO 0.58 -0.13 -0.20 0.00 -0.36 0.00 0.00 175.35 175.24 1dfa s ALA 337 N -0.03 2.54 -0.25 3.13 0.00 -0.78 -0.85 121.76 125.52 1dfa s ALA 337 Ca -0.03 -1.28 -0.02 0.00 0.00 0.00 0.00 51.96 50.64 1dfa s ALA 337 Cb -0.04 -0.63 0.08 0.00 0.00 0.00 0.00 23.12 22.53 1dfa s ALA 337 CO 0.03 0.57 0.06 0.99 0.00 0.00 0.00 175.76 177.40 1dfa s THR 338 N -0.98 0.74 0.03 0.00 2.01 -0.35 -1.60 115.64 115.49 1dfa s THR 338 Ca 0.15 -0.97 -0.10 0.00 0.31 0.00 0.00 61.69 61.08 1dfa s THR 338 Cb -0.10 -1.36 -0.05 0.00 0.01 0.00 0.00 72.50 70.99 1dfa s THR 338 CO 0.06 -0.41 0.35 -0.63 -0.69 0.00 0.00 174.62 173.31 1dfa s ILE 339 N 1.73 5.15 0.03 1.82 1.01 -0.99 -2.02 121.20 127.93 1dfa s ILE 339 Ca 0.03 0.47 0.07 0.00 0.00 0.00 0.00 60.65 61.23 1dfa s ILE 339 Cb -0.17 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 1dfa s ILE 339 CO -0.16 0.40 -0.21 -0.54 0.00 0.00 0.00 174.94 174.43 1dfa s LYS 340 N -1.60 2.03 -0.11 2.79 -0.14 -1.12 -1.54 119.74 120.05 1dfa s LYS 340 Ca 0.28 -0.99 -0.28 0.00 -1.36 0.00 0.00 55.97 53.62 1dfa s LYS 340 Cb -0.14 -2.13 0.07 0.00 -1.68 0.00 0.00 37.83 33.95 1dfa s LYS 340 CO 0.15 0.54 0.67 -0.08 -0.76 0.00 0.00 175.35 175.87 1dfa s THR 341 N -0.84 0.00 -1.97 2.17 -1.32 -0.65 -4.90 115.64 108.12 1dfa s THR 341 Ca 0.13 -0.02 0.23 0.00 -1.21 0.00 0.00 61.69 60.82 1dfa s THR 341 Cb -0.10 -0.98 0.03 0.00 -1.51 0.00 0.00 72.50 69.94 1dfa s THR 341 CO 0.03 -0.01 1.16 2.30 -2.21 0.00 0.00 174.62 175.89 1dfa n ILE 342 N 1.42 0.00 -3.33 5.08 -5.35 -1.26 0.25 119.36 116.17 1dfa n ILE 342 Ca -0.18 -0.23 -0.38 0.00 -0.27 0.00 0.00 62.75 61.69 1dfa n ILE 342 Cb 0.56 1.11 -0.06 0.00 -1.74 0.00 0.00 39.64 39.51 1dfa n ILE 342 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 1dfa s HIS 343 N -2.50 3.50 0.20 4.28 3.76 -1.26 -4.89 115.29 118.39 1dfa s HIS 343 Ca 0.19 0.86 0.07 0.00 -0.15 0.00 0.00 55.06 56.03 1dfa s HIS 343 Cb 0.18 -2.54 0.09 0.00 1.11 0.00 0.00 32.58 31.42 1dfa s HIS 343 CO 0.57 0.16 1.45 1.15 -0.85 0.00 0.00 174.74 177.22 1dfa h THR 344 N 4.73 1.53 -0.12 1.30 2.02 -1.91 -2.49 112.91 117.97 1dfa h THR 344 Ca -0.41 -2.62 -0.20 0.00 0.77 0.00 0.00 66.41 63.96 1dfa h THR 344 Cb 1.18 2.43 0.00 0.00 -1.74 0.00 0.00 68.15 70.01 1dfa h THR 344 CO 0.76 0.75 -0.72 0.77 0.37 0.00 0.00 175.52 177.45 1dfa h SER 345 N 0.04 0.67 -0.15 4.18 4.64 -1.94 -2.69 113.55 118.29 1dfa h SER 345 Ca -0.02 -0.43 -0.09 0.00 -0.47 0.00 0.00 61.79 60.78 1dfa h SER 345 Cb 1.40 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1dfa h SER 345 CO 0.11 1.18 -0.27 0.58 -0.87 0.00 0.00 176.83 177.57 1dfa h VAL 346 N 0.39 1.36 -0.63 0.95 2.07 -1.72 -2.70 116.25 115.97 1dfa h VAL 346 Ca -0.03 -1.51 0.13 0.00 0.82 0.00 0.00 66.70 66.11 1dfa h VAL 346 Cb 1.31 1.96 -0.10 0.00 -1.52 0.00 0.00 31.29 32.94 1dfa h VAL 346 CO 0.14 0.45 0.06 -0.09 0.02 0.00 0.00 177.57 178.14 1dfa h ARG 347 N 0.08 0.17 0.00 1.57 1.12 -1.42 -0.15 114.38 115.74 1dfa h ARG 347 Ca 0.01 -0.01 -0.18 0.00 -1.11 0.00 0.00 59.98 58.69 1dfa h ARG 347 Cb 0.85 -0.04 -0.03 0.00 -0.01 0.00 0.00 29.97 30.75 1dfa h ARG 347 CO 0.06 0.11 -0.89 -0.44 -3.11 0.00 0.00 179.97 175.70 1dfa h ASP 348 N 0.17 0.00 1.33 -3.80 3.32 -1.57 -3.07 116.42 112.80 1dfa h ASP 348 Ca 0.34 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.29 1dfa h ASP 348 Cb 0.54 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 1dfa h ASP 348 CO -0.50 0.83 -0.48 1.23 -1.72 0.00 0.00 179.24 178.61 1dfa h GLY 349 N 3.21 0.00 1.34 2.75 0.00 -1.02 -3.04 103.07 106.31 1dfa h GLY 349 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.03 1dfa h GLY 349 CO 0.10 0.00 -1.12 -2.00 0.00 0.00 0.00 176.54 173.52 1dfa h LEU 350 N 0.00 0.76 -0.53 3.11 5.85 -1.15 -2.03 115.31 121.33 1dfa h LEU 350 Ca -0.00 -0.67 -0.03 0.00 0.84 0.00 0.00 57.88 58.02 1dfa h LEU 350 Cb 1.27 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 1dfa h LEU 350 CO 0.06 1.48 0.20 0.58 -0.34 0.00 0.00 178.44 180.42 1dfa h VAL 351 N 0.28 1.22 0.00 1.05 2.07 -1.47 -0.26 116.25 119.14 1dfa h VAL 351 Ca -0.14 -0.69 -0.10 0.00 0.82 0.00 0.00 66.70 66.59 1dfa h VAL 351 Cb 1.78 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1dfa h VAL 351 CO 0.21 0.26 -0.47 0.77 0.02 0.00 0.00 177.57 178.36 1dfa h SER 352 N 0.71 0.00 -0.10 0.57 4.64 -1.61 -2.12 113.55 115.64 1dfa h SER 352 Ca 0.17 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.46 1dfa h SER 352 Cb 0.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1dfa h SER 352 CO -0.01 0.47 -0.09 0.25 -0.87 0.00 0.00 176.83 176.58 1dfa h LEU 353 N 0.00 0.26 -0.55 5.97 5.85 -0.88 -1.42 115.31 124.54 1dfa h LEU 353 Ca -0.00 -0.47 -0.10 0.00 0.84 0.00 0.00 57.88 58.15 1dfa h LEU 353 Cb 1.20 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 1dfa h LEU 353 CO 0.06 0.67 -0.05 0.00 -0.34 0.00 0.00 178.44 178.78 1dfa h ALA 354 N 0.60 0.74 0.00 1.25 0.00 -1.08 -2.79 119.26 117.98 1dfa h ALA 354 Ca 0.02 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1dfa h ALA 354 Cb 0.59 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1dfa h ALA 354 CO 0.02 0.61 -0.25 0.00 0.00 0.00 0.00 179.25 179.64 1dfa h ARG 355 N 0.88 0.00 0.00 0.00 3.08 -1.40 -2.59 114.38 114.35 1dfa h ARG 355 Ca 0.15 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.14 1dfa h ARG 355 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1dfa h ARG 355 CO 0.04 0.25 -0.27 0.66 -1.07 0.00 0.00 179.97 179.57 1dfa h SER 356 N 0.00 0.00 1.14 7.04 4.64 -0.97 -0.86 113.55 124.54 1dfa h SER 356 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1dfa h SER 356 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1dfa h SER 356 CO 0.03 0.27 -0.08 0.18 -0.87 0.00 0.00 176.83 176.36 1dfa n LEU 357 N -4.02 0.41 0.00 5.97 4.77 -1.00 0.59 117.00 123.72 1dfa n LEU 357 Ca -0.02 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 1dfa n LEU 357 Cb 0.34 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1dfa n LEU 357 CO 0.36 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1dfa n GLY 358 N 1.41 1.12 3.95 -0.72 0.00 -0.33 -4.92 105.19 105.69 1dfa n GLY 358 Ca 0.06 -0.41 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 1dfa n GLY 358 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dfa s LEU 359 N 0.00 4.11 -0.19 0.99 1.43 -1.04 -4.82 118.68 119.16 1dfa s LEU 359 Ca 0.00 0.36 -0.17 0.00 -1.03 0.00 0.00 54.13 53.29 1dfa s LEU 359 Cb 0.00 -3.20 -0.04 0.00 0.03 0.00 0.00 46.19 42.98 1dfa s LEU 359 CO 0.00 -0.21 0.45 -0.69 0.23 0.00 0.00 176.35 176.12 1dfa s VAL 360 N -2.18 5.17 0.01 -1.59 1.01 0.17 -4.41 120.40 118.58 1dfa s VAL 360 Ca 0.38 0.82 0.06 0.00 0.00 0.00 0.00 61.98 63.24 1dfa s VAL 360 Cb -0.10 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1dfa s VAL 360 CO 0.33 0.24 -0.18 -0.69 0.00 0.00 0.00 175.10 174.80 1dfa s VAL 361 N 1.30 1.46 0.01 2.92 1.01 -1.26 -0.84 120.40 124.99 1dfa s VAL 361 Ca 0.22 -0.95 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 1dfa s VAL 361 Cb -0.15 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 34.99 1dfa s VAL 361 CO 0.09 0.27 0.15 -0.94 0.00 0.00 0.00 175.10 174.68 1dfa s SER 362 N -0.79 0.02 0.03 3.32 1.04 -0.83 -5.01 113.70 111.48 1dfa s SER 362 Ca 0.06 -0.21 0.04 0.00 0.48 0.00 0.00 55.95 56.33 1dfa s SER 362 Cb -0.08 0.22 -0.02 0.00 0.10 0.00 0.00 66.02 66.24 1dfa s SER 362 CO 0.00 -0.40 -0.12 -0.69 0.98 0.00 0.00 173.24 173.02 1dfa s VAL 363 N -1.51 0.95 0.02 5.02 1.01 -1.26 -0.75 120.40 123.87 1dfa s VAL 363 Ca -0.14 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 60.93 1dfa s VAL 363 Cb -0.07 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 1dfa s VAL 363 CO 0.01 -0.03 -0.03 0.20 0.00 0.00 0.00 175.10 175.25 1dfa s ASN 364 N -1.07 0.21 0.11 3.32 0.01 -0.58 -5.00 114.94 111.93 1dfa s ASN 364 Ca -0.00 -0.44 -0.08 0.00 -0.71 0.00 0.00 52.86 51.63 1dfa s ASN 364 Cb -0.07 0.09 -0.06 0.00 0.41 0.00 0.00 41.25 41.61 1dfa s ASN 364 CO 0.01 -0.26 0.40 0.00 -1.51 0.00 0.00 177.10 175.74 1dfa s ALA 365 N -1.27 3.74 0.28 0.60 0.00 -1.26 -1.24 121.76 122.61 1dfa s ALA 365 Ca -0.14 -0.44 0.01 0.00 0.00 0.00 0.00 51.96 51.39 1dfa s ALA 365 Cb -0.09 -2.23 -0.03 0.00 0.00 0.00 0.00 23.12 20.78 1dfa s ALA 365 CO -0.01 0.60 0.28 -1.21 0.00 0.00 0.00 175.76 175.42 1dfa s GLU 366 N -2.26 1.57 0.33 0.00 8.01 -0.35 -4.92 118.70 121.07 1dfa s GLU 366 Ca 0.37 -1.78 -0.09 0.00 0.01 0.00 0.00 54.97 53.48 1dfa s GLU 366 Cb -0.13 0.34 -0.06 0.00 -4.31 0.00 0.00 34.13 29.96 1dfa s GLU 366 CO 0.21 -0.58 0.65 -2.14 0.01 0.00 0.00 175.26 173.41 1dfa s PRO 367 N -3.67 3.76 0.00 0.39 0.02 -1.26 -2.46 135.00 131.77 1dfa s PRO 367 Ca 0.37 0.30 0.00 0.00 0.02 0.00 0.00 61.00 61.69 1dfa s PRO 367 Cb 0.03 -2.53 0.00 0.00 0.02 0.00 0.00 34.50 32.03 1dfa s PRO 367 CO 0.19 0.13 0.00 0.00 -0.33 0.00 0.00 177.00 177.00 1dfa n ALA 368 N -0.86 0.00 -3.13 -1.55 0.00 -1.18 -4.51 120.51 109.28 1dfa n ALA 368 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.21 1dfa n ALA 368 Cb 0.54 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.04 1dfa n ALA 368 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1dfa n LYS 369 N 0.00 0.63 -3.15 0.00 5.02 -1.26 -5.02 118.16 114.37 1dfa n LYS 369 Ca 0.00 -3.06 0.05 0.00 -2.02 0.00 0.00 58.31 53.28 1dfa n LYS 369 Cb 0.00 -0.17 -0.00 0.00 -0.02 0.00 0.00 35.03 34.84 1dfa n LYS 369 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1dfa s VAL 370 N -2.50 -0.74 -0.34 -0.18 1.01 -1.16 -4.41 120.40 112.08 1dfa s VAL 370 Ca 0.56 0.00 -0.23 0.00 0.00 0.00 0.00 61.98 62.30 1dfa s VAL 370 Cb -0.04 -0.75 0.01 0.00 0.00 0.00 0.00 36.38 35.60 1dfa s VAL 370 CO 0.35 0.00 0.78 -0.62 0.00 0.00 0.00 175.10 175.62 1dfa s ASP 371 N 2.87 6.59 -1.37 3.32 2.15 -1.22 -3.71 116.67 125.30 1dfa s ASP 371 Ca 0.16 0.46 0.00 0.00 0.43 0.00 0.00 52.55 53.60 1dfa s ASP 371 Cb -0.07 -2.40 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1dfa s ASP 371 CO -0.25 -0.69 0.00 0.23 -0.17 0.00 0.00 175.17 174.29 1dfa n MET 372 N 6.35 -1.95 -0.68 4.34 2.81 -1.26 -0.27 117.12 126.46 1dfa n MET 372 Ca 0.03 0.78 0.00 0.00 -1.81 0.00 0.00 57.70 56.70 1dfa n MET 372 Cb 0.48 -5.37 0.00 0.00 -0.71 0.00 0.00 33.22 27.62 1dfa n MET 372 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1dfa n ASN 373 N -1.77 -2.05 0.00 7.83 3.02 -1.24 -4.98 115.26 116.06 1dfa n ASN 373 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 1dfa n ASN 373 Cb 0.63 -0.34 0.00 0.00 -0.61 0.00 0.00 39.78 39.46 1dfa n ASN 373 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dfa n GLY 374 N -2.68 1.27 0.00 7.41 0.00 0.63 -4.97 105.19 106.86 1dfa n GLY 374 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1dfa n GLY 374 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dfa n THR 375 N 0.00 0.00 -1.70 2.61 -2.24 -1.23 -3.54 114.28 108.18 1dfa n THR 375 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1dfa n THR 375 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1dfa n THR 375 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1dfa n LYS 376 N 0.00 -4.71 -2.04 -0.78 3.00 -1.26 -2.97 118.16 109.39 1dfa n LYS 376 Ca 0.00 3.54 -0.01 0.00 -0.00 0.00 0.00 58.31 61.83 1dfa n LYS 376 Cb 0.00 -4.08 -0.00 0.00 0.00 0.00 0.00 35.03 30.94 1dfa n LYS 376 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1dfa n HIS 377 N -1.25 -0.21 0.00 5.64 8.25 -1.26 -4.26 115.22 122.14 1dfa n HIS 377 Ca 0.00 -0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 1dfa n HIS 377 Cb 0.10 0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.24 1dfa n HIS 377 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1dfa n LYS 378 N -0.05 0.00 -3.83 -0.41 3.00 -1.26 -4.45 118.16 111.16 1dfa n LYS 378 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.20 1dfa n LYS 378 Cb 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 34.99 1dfa n LYS 378 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1dfa s ILE 379 N 0.00 0.09 0.25 3.15 2.07 -1.26 -3.09 121.20 122.41 1dfa s ILE 379 Ca 0.00 -0.77 0.00 0.00 -1.41 0.00 0.00 60.65 58.47 1dfa s ILE 379 Cb 0.00 -0.77 -0.03 0.00 0.13 0.00 0.00 42.46 41.79 1dfa s ILE 379 CO 0.00 -0.43 0.23 -0.94 -1.91 0.00 0.00 174.94 171.89 1dfa s SER 380 N -1.83 0.61 0.03 4.50 1.04 -1.03 -4.70 113.70 112.32 1dfa s SER 380 Ca -0.08 -1.46 0.05 0.00 0.48 0.00 0.00 55.95 54.94 1dfa s SER 380 Cb -0.03 0.47 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 1dfa s SER 380 CO -0.01 -0.97 -0.14 -0.31 0.98 0.00 0.00 173.24 172.79 1dfa s TYR 381 N -3.86 1.24 -0.29 5.02 2.02 0.14 -1.22 117.35 120.40 1dfa s TYR 381 Ca 0.37 -0.32 -0.06 0.00 -0.37 0.00 0.00 57.07 56.70 1dfa s TYR 381 Cb 0.04 -0.75 0.01 0.00 -0.40 0.00 0.00 41.96 40.87 1dfa s TYR 381 CO 0.17 0.02 0.05 0.00 -1.57 0.00 0.00 175.55 174.22 1dfa s ALA 382 N -0.70 2.99 -0.29 3.71 0.00 -0.37 -1.64 121.76 125.47 1dfa s ALA 382 Ca 0.03 -1.48 -0.07 0.00 0.00 0.00 0.00 51.96 50.44 1dfa s ALA 382 Cb -0.07 -2.07 -0.00 0.00 0.00 0.00 0.00 23.12 20.98 1dfa s ALA 382 CO 0.01 -0.94 0.09 -1.50 0.00 0.00 0.00 175.76 173.42 1dfa s ILE 383 N 1.46 4.11 -0.16 0.00 1.10 -0.59 -1.53 121.20 125.59 1dfa s ILE 383 Ca 0.02 -0.54 -0.14 0.00 -0.51 0.00 0.00 60.65 59.48 1dfa s ILE 383 Cb -0.17 -3.07 -0.05 0.00 0.15 0.00 0.00 42.46 39.32 1dfa s ILE 383 CO 0.01 0.14 0.30 -0.31 -2.11 0.00 0.00 174.94 172.97 1dfa s TYR 384 N 1.54 3.46 -0.05 3.50 1.51 0.07 -2.36 117.35 125.03 1dfa s TYR 384 Ca 0.04 0.61 0.04 0.00 -1.01 0.00 0.00 57.07 56.74 1dfa s TYR 384 Cb -0.17 -2.35 -0.00 0.00 -0.11 0.00 0.00 41.96 39.34 1dfa s TYR 384 CO 0.03 0.24 -0.17 -1.64 -1.11 0.00 0.00 175.55 172.90 1dfa s MET 385 N 0.46 1.80 0.16 -0.62 -1.94 -0.63 -1.97 119.30 116.57 1dfa s MET 385 Ca 0.17 -0.60 -0.06 0.00 -1.71 0.00 0.00 55.69 53.48 1dfa s MET 385 Cb -0.13 -1.56 -0.02 0.00 2.01 0.00 0.00 34.83 35.13 1dfa s MET 385 CO 0.04 0.23 0.21 -1.54 -0.01 0.00 0.00 175.02 173.95 1dfa s SER 386 N 0.07 0.12 0.00 3.03 1.04 -0.02 -1.87 113.70 116.07 1dfa s SER 386 Ca -0.05 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.35 1dfa s SER 386 Cb -0.12 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1dfa s SER 386 CO 0.02 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.00 1dfa n GLY 387 N -0.20 0.00 7.00 7.32 0.00 -1.26 0.44 105.19 118.49 1dfa n GLY 387 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1dfa n GLY 387 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dfa n GLY 388 N 0.00 3.13 0.22 -0.02 0.00 -1.26 -2.80 105.19 104.46 1dfa n GLY 388 Ca 0.00 -0.18 0.15 0.00 0.00 0.00 0.00 46.02 45.99 1dfa n GLY 388 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dfa h ASP 389 N 0.00 0.00 -0.24 1.61 3.45 -1.97 0.20 116.42 119.47 1dfa h ASP 389 Ca 0.00 0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.35 1dfa h ASP 389 Cb 0.00 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1dfa h ASP 389 CO 0.00 0.00 -0.30 0.58 -1.57 0.00 0.00 179.24 177.95 1dfa h VAL 390 N 0.00 1.32 -0.09 -1.35 2.07 -1.89 -2.40 116.25 113.91 1dfa h VAL 390 Ca 0.00 -1.48 -0.22 0.00 0.82 0.00 0.00 66.70 65.81 1dfa h VAL 390 Cb 0.39 1.72 0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1dfa h VAL 390 CO 0.00 0.46 -0.83 0.25 0.02 0.00 0.00 177.57 177.47 1dfa h LEU 391 N 0.33 0.78 -2.00 2.57 5.85 -1.53 -3.23 115.31 118.08 1dfa h LEU 391 Ca 0.03 -0.54 -0.00 0.00 0.84 0.00 0.00 57.88 58.21 1dfa h LEU 391 Cb 0.87 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 1dfa h LEU 391 CO 0.07 1.33 -0.01 -0.07 -0.34 0.00 0.00 178.44 179.42 1dfa h LEU 392 N 0.42 0.00 -0.95 2.25 4.07 -0.62 -0.61 115.31 119.87 1dfa h LEU 392 Ca -0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.90 1dfa h LEU 392 Cb 1.45 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.19 1dfa h LEU 392 CO 0.16 0.01 0.00 -1.13 -1.08 0.00 0.00 178.44 176.40 1dfa h ASN 393 N 0.00 0.00 0.03 -0.43 -1.24 -1.45 -2.41 115.58 110.08 1dfa h ASN 393 Ca -0.00 0.00 -0.33 0.00 0.71 0.00 0.00 56.30 56.68 1dfa h ASN 393 Cb 0.01 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.02 1dfa h ASN 393 CO 0.00 0.00 -1.85 0.52 -1.29 0.00 0.00 177.43 174.81 1dfa n VAL 394 N -3.09 1.58 0.32 2.57 0.31 -0.35 -4.34 118.33 115.32 1dfa n VAL 394 Ca 0.02 -0.30 0.21 0.00 -0.01 0.00 0.00 64.34 64.26 1dfa n VAL 394 Cb 0.38 -1.88 1.03 0.00 -0.91 0.00 0.00 33.84 32.47 1dfa n VAL 394 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1dfa h LEU 395 N -0.69 0.00 -0.16 7.52 3.38 -1.26 -2.21 115.31 121.88 1dfa h LEU 395 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1dfa h LEU 395 Cb 1.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1dfa h LEU 395 CO -0.19 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.80 1dfa n SER 396 N -3.03 0.17 -0.02 -0.43 3.41 -0.91 -2.20 113.62 110.62 1dfa n SER 396 Ca -0.02 -2.00 0.01 0.00 -0.26 0.00 0.00 58.87 56.60 1dfa n SER 396 Cb 0.14 -0.08 -0.00 0.00 -0.26 0.00 0.00 64.21 64.01 1dfa n SER 396 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1dfa n LYS 397 N -0.42 3.67 -1.78 4.33 5.02 -0.83 -4.88 118.16 123.27 1dfa n LYS 397 Ca 0.00 -0.23 -0.31 0.00 -2.02 0.00 0.00 58.31 55.75 1dfa n LYS 397 Cb 0.04 -0.74 0.02 0.00 -0.02 0.00 0.00 35.03 34.33 1dfa n LYS 397 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1dfa n ALA 399 N -2.86 1.58 -1.67 0.00 0.00 -1.26 -4.59 120.51 111.71 1dfa n ALA 399 Ca 0.06 -1.04 -0.44 0.00 0.00 0.00 0.00 53.44 52.02 1dfa n ALA 399 Cb 0.54 -0.07 -0.02 0.00 0.00 0.00 0.00 19.45 19.89 1dfa n ALA 399 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dfa n GLY 400 N 2.11 0.72 0.21 0.00 0.00 -1.26 -4.48 105.19 102.49 1dfa n GLY 400 Ca -0.30 0.46 0.01 0.00 0.00 0.00 0.00 46.02 46.20 1dfa n GLY 400 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1dfa h SER 401 N 3.91 0.15 -0.60 1.61 4.64 -1.94 -0.86 113.55 120.45 1dfa h SER 401 Ca -0.45 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1dfa h SER 401 Cb 1.28 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1dfa h SER 401 CO 0.73 0.46 0.00 1.17 -0.87 0.00 0.00 176.83 178.32 1dfa n LYS 402 N -4.13 3.01 -0.03 4.77 4.81 -1.26 -4.32 118.16 120.99 1dfa n LYS 402 Ca -0.01 -2.42 -0.05 0.00 -0.87 0.00 0.00 58.31 54.96 1dfa n LYS 402 Cb 0.38 -1.68 -0.03 0.00 0.02 0.00 0.00 35.03 33.72 1dfa n LYS 402 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1dfa n LYS 403 N 1.15 0.41 -1.90 1.64 5.02 -0.98 -4.38 118.16 119.12 1dfa n LYS 403 Ca 0.22 0.04 -0.40 0.00 -2.02 0.00 0.00 58.31 56.15 1dfa n LYS 403 Cb 0.69 -1.14 0.01 0.00 -0.02 0.00 0.00 35.03 34.56 1dfa n LYS 403 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1dfa s PHE 404 N -2.14 2.62 0.02 2.13 5.36 -0.37 -4.90 117.98 120.71 1dfa s PHE 404 Ca -0.09 1.31 0.01 0.00 -0.96 0.00 0.00 56.93 57.20 1dfa s PHE 404 Cb 0.02 -3.84 -0.02 0.00 -0.34 0.00 0.00 43.02 38.85 1dfa s PHE 404 CO 0.17 -2.60 -0.05 1.03 -1.46 0.00 0.00 175.22 172.31 1dfa s ARG 405 N -2.31 0.36 0.71 10.12 1.81 -1.13 -4.99 118.95 123.52 1dfa s ARG 405 Ca 0.58 -0.50 -0.15 0.00 -1.72 0.00 0.00 55.73 53.94 1dfa s ARG 405 Cb -0.42 -0.14 0.03 0.00 -0.45 0.00 0.00 34.95 33.96 1dfa s ARG 405 CO 0.54 0.02 1.18 -2.14 -0.68 0.00 0.00 175.30 174.22 1dfa s PRO 406 N -1.05 2.34 0.81 3.54 0.02 -1.26 -3.15 135.00 136.24 1dfa s PRO 406 Ca -0.08 1.65 -0.10 0.00 0.02 0.00 0.00 61.00 62.48 1dfa s PRO 406 Cb -0.07 -1.87 0.08 0.00 0.02 0.00 0.00 34.50 32.66 1dfa s PRO 406 CO -0.00 -1.66 1.10 0.00 -0.33 0.00 0.00 177.00 176.11 1dfa s ALA 407 N -2.08 2.06 0.71 -1.55 0.00 -1.26 -4.78 121.76 114.86 1dfa s ALA 407 Ca 0.72 0.32 -0.17 0.00 0.00 0.00 0.00 51.96 52.84 1dfa s ALA 407 Cb -0.27 -3.31 -0.07 0.00 0.00 0.00 0.00 23.12 19.48 1dfa s ALA 407 CO 0.44 -2.00 0.33 -2.30 0.00 0.00 0.00 175.76 172.23 1dfa n PRO 408 N -3.69 0.24 -0.05 0.00 -0.02 -1.26 -4.93 135.00 125.29 1dfa n PRO 408 Ca 0.10 0.11 -0.13 0.00 -2.02 0.00 0.00 63.50 61.56 1dfa n PRO 408 Cb 0.53 -1.64 -0.07 0.00 -0.02 0.00 0.00 33.50 32.30 1dfa n PRO 408 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dfa h ALA 409 N -0.34 0.20 -4.06 3.55 0.00 -1.99 -3.47 119.26 113.15 1dfa h ALA 409 Ca -0.45 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.01 1dfa h ALA 409 Cb 1.36 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 1dfa h ALA 409 CO 0.41 0.03 -0.13 0.00 0.00 0.00 0.00 179.25 179.56 1dfa n ALA 410 N -2.39 0.14 -1.41 0.00 0.00 -1.26 -5.14 120.51 110.45 1dfa n ALA 410 Ca -0.06 -0.58 -0.32 0.00 0.00 0.00 0.00 53.44 52.48 1dfa n ALA 410 Cb 0.32 0.35 0.07 0.00 0.00 0.00 0.00 19.45 20.19 1dfa n ALA 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dfa s ALA 411 N -2.27 2.41 0.16 0.00 0.00 -1.26 -5.07 121.76 115.74 1dfa s ALA 411 Ca 0.03 0.35 0.01 0.00 0.00 0.00 0.00 51.96 52.36 1dfa s ALA 411 Cb 0.00 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 1dfa s ALA 411 CO 0.02 -1.47 0.00 -0.59 0.00 0.00 0.00 175.76 173.73 1dfa s PHE 412 N -2.69 1.13 0.02 0.00 -0.71 -1.26 -5.15 117.98 109.31 1dfa s PHE 412 Ca 0.63 -1.04 0.06 0.00 -1.04 0.00 0.00 56.93 55.54 1dfa s PHE 412 Cb -0.18 -0.64 -0.03 0.00 -1.21 0.00 0.00 43.02 40.96 1dfa s PHE 412 CO 0.49 -0.26 -0.18 0.00 -1.34 0.00 0.00 175.22 173.94 1dfa s ALA 413 N -3.72 2.56 -0.57 1.99 0.00 -1.26 -5.08 121.76 115.68 1dfa s ALA 413 Ca 0.23 -1.14 -0.19 0.00 0.00 0.00 0.00 51.96 50.86 1dfa s ALA 413 Cb 0.06 -0.77 0.09 0.00 0.00 0.00 0.00 23.12 22.51 1dfa s ALA 413 CO 0.03 0.56 0.69 1.03 0.00 0.00 0.00 175.76 178.07 1dfa s ARG 414 N -1.20 3.06 0.71 0.00 0.52 -1.26 -4.95 118.95 115.83 1dfa s ARG 414 Ca 0.13 -1.22 -0.10 0.00 -0.52 0.00 0.00 55.73 54.02 1dfa s ARG 414 Cb -0.10 -4.23 0.04 0.00 0.52 0.00 0.00 34.95 31.17 1dfa s ARG 414 CO 0.04 -1.47 1.07 -1.21 0.02 0.00 0.00 175.30 173.74 1dfa s GLU 415 N 2.68 2.53 0.31 3.54 0.41 -1.26 -4.82 118.70 122.09 1dfa s GLU 415 Ca 0.12 0.17 -0.25 0.00 -0.41 0.00 0.00 54.97 54.60 1dfa s GLU 415 Cb -0.23 -2.07 -0.10 0.00 -1.78 0.00 0.00 34.13 29.95 1dfa s GLU 415 CO 0.07 -1.15 0.91 0.00 -0.49 0.00 0.00 175.26 174.61 1dfa s ARG 417 N -2.05 3.08 0.58 0.00 1.81 0.39 -4.87 118.95 117.88 1dfa s ARG 417 Ca 0.49 -0.57 0.00 0.00 -1.72 0.00 0.00 55.73 53.94 1dfa s ARG 417 Cb -0.18 -2.85 0.04 0.00 -0.45 0.00 0.00 34.95 31.51 1dfa s ARG 417 CO 0.23 0.60 0.82 0.20 -0.68 0.00 0.00 175.30 176.47 1dfa s GLY 418 N -2.25 1.81 -0.28 -3.53 0.00 -1.26 0.28 107.32 102.09 1dfa s GLY 418 Ca 0.29 -1.27 -0.20 0.00 0.00 0.00 0.00 44.72 43.54 1dfa s GLY 418 CO 0.21 -0.96 0.86 -0.11 0.00 0.00 0.00 173.10 173.10 1dfa s PHE 419 N -2.84 -0.72 0.26 1.90 -0.71 0.10 -4.85 117.98 111.12 1dfa s PHE 419 Ca 0.58 1.57 -0.26 0.00 -1.04 0.00 0.00 56.93 57.78 1dfa s PHE 419 Cb -0.10 0.41 -0.09 0.00 -1.21 0.00 0.00 43.02 42.03 1dfa s PHE 419 CO 0.39 -0.35 0.89 0.71 -1.34 0.00 0.00 175.22 175.52 1dfa s TYR 420 N 0.94 3.80 0.25 3.49 2.02 -1.26 -1.51 117.35 125.08 1dfa s TYR 420 Ca -0.04 1.74 0.03 0.00 -0.37 0.00 0.00 57.07 58.43 1dfa s TYR 420 Cb -0.05 -2.87 -0.05 0.00 -0.40 0.00 0.00 41.96 38.59 1dfa s TYR 420 CO -0.11 0.34 0.04 -0.59 -1.57 0.00 0.00 175.55 173.66 1dfa s PHE 421 N -1.42 1.57 -0.01 2.71 -0.71 -1.26 -0.38 117.98 118.48 1dfa s PHE 421 Ca 0.45 -1.02 0.02 0.00 -1.04 0.00 0.00 56.93 55.33 1dfa s PHE 421 Cb -0.21 -0.93 -0.00 0.00 -1.21 0.00 0.00 43.02 40.66 1dfa s PHE 421 CO 0.26 -0.15 -0.07 -1.83 -1.34 0.00 0.00 175.22 172.08 1dfa s GLU 422 N -3.93 0.67 -0.12 1.99 -1.05 0.99 -4.70 118.70 112.54 1dfa s GLU 422 Ca 0.32 -0.26 -0.05 0.00 -0.15 0.00 0.00 54.97 54.83 1dfa s GLU 422 Cb 0.07 -0.65 -0.04 0.00 -0.44 0.00 0.00 34.13 33.07 1dfa s GLU 422 CO 0.11 0.14 0.07 -0.51 0.95 0.00 0.00 175.26 176.02 1dfa s LEU 423 N -0.04 3.98 -0.21 1.83 1.02 -1.25 -1.58 118.68 122.43 1dfa s LEU 423 Ca 0.01 0.27 -0.00 0.00 0.02 0.00 0.00 54.13 54.43 1dfa s LEU 423 Cb -0.05 -1.96 0.02 0.00 0.02 0.00 0.00 46.19 44.23 1dfa s LEU 423 CO -0.00 0.34 -0.14 -1.10 0.02 0.00 0.00 176.35 175.48 1dfa s GLN 424 N -0.65 2.95 -0.19 1.70 -1.52 -0.10 -4.92 119.66 116.94 1dfa s GLN 424 Ca 0.12 -0.87 -0.29 0.00 -1.95 0.00 0.00 55.36 52.36 1dfa s GLN 424 Cb -0.12 -2.76 -0.02 0.00 -0.22 0.00 0.00 33.01 29.89 1dfa s GLN 424 CO 0.02 -0.28 1.45 -2.00 -0.25 0.00 0.00 175.29 174.24 1dfa s GLU 425 N 1.31 4.02 0.49 2.91 2.12 -1.26 -1.17 118.70 127.12 1dfa s GLU 425 Ca 0.03 1.67 0.06 0.00 0.36 0.00 0.00 54.97 57.09 1dfa s GLU 425 Cb -0.15 -3.91 0.06 0.00 0.26 0.00 0.00 34.13 30.39 1dfa s GLU 425 CO -0.09 -1.00 0.53 1.28 -0.54 0.00 0.00 175.26 175.44 1dfa n LEU 426 N 7.50 0.00 -4.88 2.70 4.77 0.19 -4.98 117.00 122.31 1dfa n LEU 426 Ca 0.16 -2.32 -0.30 0.00 -0.03 0.00 0.00 56.01 53.52 1dfa n LEU 426 Cb 0.45 -0.20 0.22 0.00 -2.33 0.00 0.00 43.42 41.55 1dfa n LEU 426 CO 0.61 -0.61 0.85 -1.59 -1.33 0.00 0.00 177.39 175.32 1dfa s LYS 427 N -4.12 -0.00 0.41 3.23 -2.85 -1.26 -3.75 119.74 111.40 1dfa s LYS 427 Ca 0.40 -0.48 -0.25 0.00 -1.00 0.00 0.00 55.97 54.64 1dfa s LYS 427 Cb -0.03 -1.78 -0.08 0.00 -2.06 0.00 0.00 37.83 33.88 1dfa s LYS 427 CO 0.25 -2.84 1.23 -1.21 0.10 0.00 0.00 175.35 172.89 1dfa s GLU 428 N -5.89 3.96 0.14 1.78 0.41 -1.23 -2.16 118.70 115.71 1dfa s GLU 428 Ca 0.76 1.99 -0.25 0.00 -0.41 0.00 0.00 54.97 57.05 1dfa s GLU 428 Cb -0.03 -2.68 0.07 0.00 -1.78 0.00 0.00 34.13 29.71 1dfa s GLU 428 CO 0.54 -0.45 0.93 0.34 -0.49 0.00 0.00 175.26 176.14 1dfa s ASP 429 N -0.97 -0.21 -0.13 -0.19 -1.08 0.60 -4.86 116.67 109.82 1dfa s ASP 429 Ca 0.58 -0.36 -0.29 0.00 -0.52 0.00 0.00 52.55 51.95 1dfa s ASP 429 Cb -0.34 0.49 -0.01 0.00 -1.46 0.00 0.00 42.92 41.61 1dfa s ASP 429 CO 0.43 -0.90 1.00 -1.81 0.52 0.00 0.00 175.17 174.42 1dfa s ASP 430 N -2.88 7.20 0.29 -0.34 1.01 -1.26 -1.92 116.67 118.77 1dfa s ASP 430 Ca 0.11 1.48 0.08 0.00 0.71 0.00 0.00 52.55 54.93 1dfa s ASP 430 Cb -0.02 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 1dfa s ASP 430 CO 0.01 -0.49 0.16 -0.72 0.21 0.00 0.00 175.17 174.34 1dfa s TYR 431 N 2.26 2.89 0.00 4.23 -0.85 0.21 -4.11 117.35 121.98 1dfa s TYR 431 Ca 0.47 -0.23 0.00 0.00 -0.52 0.00 0.00 57.07 56.78 1dfa s TYR 431 Cb -0.17 -1.49 0.00 0.00 0.38 0.00 0.00 41.96 40.67 1dfa s TYR 431 CO 0.15 0.43 0.00 0.66 -1.52 0.00 0.00 175.55 175.27 1dfa n TYR 432 N -1.16 0.00 0.00 -3.49 4.02 -0.31 -3.36 117.16 112.86 1dfa n TYR 432 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.84 1dfa n TYR 432 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.91 1dfa n TYR 432 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1dfa n GLY 433 N 3.97 2.47 2.96 2.72 0.00 -1.26 -0.34 105.19 115.71 1dfa n GLY 433 Ca 0.00 -1.90 -0.10 0.00 0.00 0.00 0.00 46.02 44.03 1dfa n GLY 433 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1dfa s ILE 434 N -2.87 0.08 -0.26 -0.61 -4.36 -1.26 -3.47 121.20 108.45 1dfa s ILE 434 Ca 0.00 -0.68 -0.08 0.00 -0.26 0.00 0.00 60.65 59.63 1dfa s ILE 434 Cb 0.00 -0.20 -0.03 0.00 1.25 0.00 0.00 42.46 43.48 1dfa s ILE 434 CO 0.00 -0.37 0.11 -0.89 0.24 0.00 0.00 174.94 174.03 1dfa s THR 435 N -1.09 4.58 0.53 8.37 2.01 -0.46 -4.85 115.64 124.74 1dfa s THR 435 Ca -0.12 -0.12 -0.08 0.00 0.31 0.00 0.00 61.69 61.68 1dfa s THR 435 Cb -0.07 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 1dfa s THR 435 CO -0.01 0.29 0.89 -0.76 -0.69 0.00 0.00 174.62 174.34 1dfa s LEU 436 N 1.65 3.48 0.43 4.42 1.02 -1.26 -0.50 118.68 127.92 1dfa s LEU 436 Ca 0.06 1.15 -0.26 0.00 0.02 0.00 0.00 54.13 55.11 1dfa s LEU 436 Cb -0.16 -4.14 -0.09 0.00 0.02 0.00 0.00 46.19 41.82 1dfa s LEU 436 CO 0.06 -0.68 1.38 -1.54 0.02 0.00 0.00 176.35 175.58 1dfa n SER 437 N -2.39 3.08 0.11 2.29 3.41 -1.18 -4.81 113.62 114.13 1dfa n SER 437 Ca 0.03 1.13 0.07 0.00 -0.26 0.00 0.00 58.87 59.84 1dfa n SER 437 Cb 0.55 -1.56 0.39 0.00 -0.26 0.00 0.00 64.21 63.32 1dfa n SER 437 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1dfa n ASP 438 N 0.06 0.37 -0.48 4.04 9.92 -1.26 -1.08 116.55 128.12 1dfa n ASP 438 Ca 0.05 0.68 0.10 0.00 -0.53 0.00 0.00 54.79 55.08 1dfa n ASP 438 Cb 0.40 -0.72 0.01 0.00 -0.64 0.00 0.00 41.12 40.17 1dfa n ASP 438 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1dfa n ASP 439 N -2.00 1.95 -2.12 -2.24 10.43 -1.26 -4.96 116.55 116.33 1dfa n ASP 439 Ca -0.01 -1.47 -0.02 0.00 2.57 0.00 0.00 54.79 55.86 1dfa n ASP 439 Cb 0.02 0.41 0.01 0.00 1.84 0.00 0.00 41.12 43.41 1dfa n ASP 439 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 1dfa n SER 440 N 0.09 0.01 0.00 -2.24 3.41 -0.24 -4.92 113.62 109.73 1dfa n SER 440 Ca 0.08 -1.03 0.13 0.00 -0.26 0.00 0.00 58.87 57.79 1dfa n SER 440 Cb 0.42 -0.06 0.69 0.00 -0.26 0.00 0.00 64.21 65.00 1dfa n SER 440 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1dfa n ASP 441 N -3.05 0.00 0.00 4.04 3.85 -1.26 -4.88 116.55 115.25 1dfa n ASP 441 Ca 0.01 -0.20 0.00 0.00 -0.71 0.00 0.00 54.79 53.89 1dfa n ASP 441 Cb 0.04 -0.25 0.00 0.00 -1.35 0.00 0.00 41.12 39.56 1dfa n ASP 441 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 1dfa n HIS 442 N -1.25 0.00 -4.38 2.11 8.25 -1.26 -4.99 115.22 113.70 1dfa n HIS 442 Ca 0.14 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.37 1dfa n HIS 442 Cb 0.19 -0.68 -0.11 0.00 1.12 0.00 0.00 29.99 30.52 1dfa n HIS 442 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1dfa s GLN 443 N -0.65 1.41 0.38 -0.41 -0.21 -1.26 -1.04 119.66 117.87 1dfa s GLN 443 Ca 0.00 -1.54 -0.11 0.00 0.02 0.00 0.00 55.36 53.73 1dfa s GLN 443 Cb 0.00 -1.47 0.04 0.00 1.00 0.00 0.00 33.01 32.58 1dfa s GLN 443 CO 0.00 0.29 0.68 -0.59 -2.12 0.00 0.00 175.29 173.55 1dfa s PHE 444 N -2.28 0.47 -0.12 0.91 -0.71 -0.60 -4.62 117.98 111.03 1dfa s PHE 444 Ca 0.21 -0.99 -0.02 0.00 -1.04 0.00 0.00 56.93 55.08 1dfa s PHE 444 Cb -0.05 0.51 -0.03 0.00 -1.21 0.00 0.00 43.02 42.25 1dfa s PHE 444 CO 0.09 -1.43 -0.03 -0.51 -1.34 0.00 0.00 175.22 172.00 1dfa s LEU 445 N -3.14 3.35 0.94 -1.99 1.02 -0.25 -0.30 118.68 118.32 1dfa s LEU 445 Ca 0.21 -0.02 -0.14 0.00 0.02 0.00 0.00 54.13 54.20 1dfa s LEU 445 Cb -0.03 -1.78 0.16 0.00 0.02 0.00 0.00 46.19 44.55 1dfa s LEU 445 CO 0.15 0.27 1.18 -0.76 0.02 0.00 0.00 176.35 177.21 1dfa s LEU 446 N -0.26 2.06 0.60 1.79 1.43 -0.22 -2.34 118.68 121.74 1dfa s LEU 446 Ca 0.05 0.77 0.32 0.00 -1.03 0.00 0.00 54.13 54.23 1dfa s LEU 446 Cb -0.13 -2.99 1.88 0.00 0.03 0.00 0.00 46.19 44.98 1dfa s LEU 446 CO 0.02 -2.67 2.24 0.00 0.23 0.00 0.00 176.35 176.17 1dfa h ALA 447 N -1.59 1.50 -0.15 4.21 0.00 -1.24 -0.61 119.26 121.39 1dfa h ALA 447 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1dfa h ALA 447 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1dfa h ALA 447 CO 0.55 -0.07 0.00 0.27 0.00 0.00 0.00 179.25 180.00 1dfa n ASN 448 N -3.70 1.82 0.00 0.00 0.23 -1.26 -4.87 115.26 107.47 1dfa n ASN 448 Ca -0.02 -1.70 0.00 0.00 -0.53 0.00 0.00 54.58 52.33 1dfa n ASN 448 Cb 0.13 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 37.74 1dfa n ASN 448 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1dfa n GLN 449 N 0.42 0.00 -1.98 -3.83 6.02 -0.23 -4.95 117.38 112.83 1dfa n GLN 449 Ca 0.17 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.74 1dfa n GLN 449 Cb 0.36 -1.85 -0.03 0.00 1.02 0.00 0.00 30.24 29.75 1dfa n GLN 449 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1dfa s VAL 450 N -3.47 3.08 -0.33 5.09 1.01 -1.26 -2.28 120.40 122.24 1dfa s VAL 450 Ca 0.00 0.59 -0.29 0.00 0.00 0.00 0.00 61.98 62.28 1dfa s VAL 450 Cb 0.00 -3.38 -0.00 0.00 0.00 0.00 0.00 36.38 33.00 1dfa s VAL 450 CO 0.00 0.01 1.48 -0.69 0.00 0.00 0.00 175.10 175.90 1dfa s VAL 451 N 2.27 3.86 0.19 2.92 1.01 -1.08 -1.05 120.40 128.52 1dfa s VAL 451 Ca 0.71 0.93 0.08 0.00 0.00 0.00 0.00 61.98 63.70 1dfa s VAL 451 Cb -0.39 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 1dfa s VAL 451 CO 0.31 -0.54 -0.04 0.68 0.00 0.00 0.00 175.10 175.50 1dfa s VAL 452 N 5.31 3.45 0.30 2.92 -7.23 0.59 -4.68 120.40 121.05 1dfa s VAL 452 Ca 0.65 -1.59 0.04 0.00 -1.81 0.00 0.00 61.98 59.27 1dfa s VAL 452 Cb -0.18 -2.74 -0.02 0.00 0.56 0.00 0.00 36.38 34.00 1dfa s VAL 452 CO 0.30 -0.14 0.44 -2.28 -0.31 0.00 0.00 175.10 173.11 1dfa s HIS 453 N -1.79 3.36 -1.79 2.82 2.46 -1.26 -1.56 115.29 117.53 1dfa s HIS 453 Ca 0.27 0.01 0.00 0.00 0.47 0.00 0.00 55.06 55.81 1dfa s HIS 453 Cb -0.09 -1.78 0.00 0.00 -0.13 0.00 0.00 32.58 30.59 1dfa s HIS 453 CO 0.17 0.22 0.45 0.09 -2.47 0.00 0.00 174.74 173.20