#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ca6 s SER 2 N 0.00 2.66 0.06 8.00 0.01 -1.26 -1.97 113.70 121.20 3ca6 s SER 2 Ca 0.00 -1.00 -0.18 0.00 1.31 0.00 0.00 55.95 56.07 3ca6 s SER 2 Cb 0.00 -0.15 0.04 0.00 0.21 0.00 0.00 66.02 66.12 3ca6 s SER 2 CO 0.00 -0.14 0.43 0.72 0.41 0.00 0.00 173.24 174.66 3ca6 s PHE 3 N -2.84 -0.28 -0.04 2.43 -0.71 -0.94 -4.98 117.98 110.62 3ca6 s PHE 3 Ca 0.22 0.21 0.06 0.00 -1.04 0.00 0.00 56.93 56.38 3ca6 s PHE 3 Cb -0.02 0.25 -0.01 0.00 -1.21 0.00 0.00 43.02 42.03 3ca6 s PHE 3 CO 0.07 -0.61 -0.23 0.99 -1.34 0.00 0.00 175.22 174.10 3ca6 s THR 4 N -2.71 1.90 0.18 -4.49 2.01 -1.26 -0.17 115.64 111.10 3ca6 s THR 4 Ca -0.04 -1.00 -0.13 0.00 0.31 0.00 0.00 61.69 60.84 3ca6 s THR 4 Cb -0.00 -1.60 0.01 0.00 0.01 0.00 0.00 72.50 70.91 3ca6 s THR 4 CO -0.04 0.53 0.39 -0.13 -0.69 0.00 0.00 174.62 174.68 3ca6 s ARG 5 N -0.28 1.26 0.69 4.92 1.81 -0.24 -4.89 118.95 122.22 3ca6 s ARG 5 Ca 0.01 -1.04 -0.09 0.00 -1.72 0.00 0.00 55.73 52.89 3ca6 s ARG 5 Cb -0.12 0.44 0.03 0.00 -0.45 0.00 0.00 34.95 34.85 3ca6 s ARG 5 CO 0.02 -0.50 1.04 -0.80 -0.68 0.00 0.00 175.30 174.38 3ca6 s ASN 6 N -2.93 5.21 -0.21 0.23 -0.87 -0.45 -0.61 114.94 115.31 3ca6 s ASN 6 Ca 0.14 0.82 0.01 0.00 -1.57 0.00 0.00 52.86 52.25 3ca6 s ASN 6 Cb 0.01 -1.59 0.05 0.00 -0.02 0.00 0.00 41.25 39.70 3ca6 s ASN 6 CO -0.01 -1.40 -0.07 -0.63 -2.57 0.00 0.00 177.10 172.42 3ca6 s ILE 7 N -3.26 1.52 -0.14 0.60 1.01 -1.26 -1.74 121.20 117.94 3ca6 s ILE 7 Ca 0.58 -1.07 -0.08 0.00 0.00 0.00 0.00 60.65 60.08 3ca6 s ILE 7 Cb -0.11 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 3ca6 s ILE 7 CO 0.48 0.03 0.15 -0.69 0.00 0.00 0.00 174.94 174.90 3ca6 s VAL 8 N 1.42 5.47 0.00 2.92 1.01 0.12 -1.10 120.40 130.25 3ca6 s VAL 8 Ca -0.03 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.17 3ca6 s VAL 8 Cb -0.17 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.78 3ca6 s VAL 8 CO -0.07 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3ca6 n GLY 9 N 2.33 5.35 3.62 4.51 0.00 0.46 -0.49 105.19 120.97 3ca6 n GLY 9 Ca -0.19 -0.76 -0.54 0.00 0.00 0.00 0.00 46.02 44.53 3ca6 n GLY 9 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3ca6 n ARG 10 N 0.00 1.09 -1.68 1.61 0.63 -1.26 -0.16 116.66 116.89 3ca6 n ARG 10 Ca 0.00 0.40 -0.21 0.00 -0.92 0.00 0.00 57.85 57.12 3ca6 n ARG 10 Cb 0.00 -2.04 -0.08 0.00 0.45 0.00 0.00 32.46 30.78 3ca6 n ARG 10 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3ca6 n ASP 11 N 3.26 -5.57 -0.16 6.15 10.43 -1.26 -2.05 116.55 127.36 3ca6 n ASP 11 Ca 0.21 0.47 -0.02 0.00 2.57 0.00 0.00 54.79 58.02 3ca6 n ASP 11 Cb 0.17 -4.89 -0.01 0.00 1.84 0.00 0.00 41.12 38.23 3ca6 n ASP 11 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3ca6 n GLY 12 N -0.45 0.54 3.89 0.44 0.00 0.78 -5.04 105.19 105.34 3ca6 n GLY 12 Ca -0.21 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 3ca6 n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ca6 s LEU 13 N -0.48 3.16 0.28 0.99 1.43 -0.87 -4.63 118.68 118.56 3ca6 s LEU 13 Ca 0.00 1.14 0.07 0.00 -1.03 0.00 0.00 54.13 54.31 3ca6 s LEU 13 Cb 0.00 -4.05 -0.03 0.00 0.03 0.00 0.00 46.19 42.14 3ca6 s LEU 13 CO 0.00 -1.03 0.28 0.00 0.23 0.00 0.00 176.35 175.83 3ca6 s VAL 15 N -2.17 4.48 -0.03 0.00 1.01 -0.26 -1.61 120.40 121.82 3ca6 s VAL 15 Ca 0.37 1.78 0.00 0.00 0.00 0.00 0.00 61.98 64.14 3ca6 s VAL 15 Cb -0.08 -4.15 0.03 0.00 0.00 0.00 0.00 36.38 32.18 3ca6 s VAL 15 CO 0.27 -0.14 0.00 -0.62 0.00 0.00 0.00 175.10 174.61 3ca6 s ASP 16 N 1.57 0.38 -0.16 3.32 2.15 -0.02 -4.47 116.67 119.43 3ca6 s ASP 16 Ca 0.50 -0.02 -0.29 0.00 0.43 0.00 0.00 52.55 53.16 3ca6 s ASP 16 Cb -0.19 -0.20 -0.02 0.00 -0.30 0.00 0.00 42.92 42.22 3ca6 s ASP 16 CO 0.11 -0.09 1.28 -0.69 -0.17 0.00 0.00 175.17 175.61 3ca6 s VAL 17 N 0.95 4.25 0.09 1.11 1.01 -0.32 -0.84 120.40 126.64 3ca6 s VAL 17 Ca -0.09 1.50 -0.34 0.00 0.00 0.00 0.00 61.98 63.05 3ca6 s VAL 17 Cb -0.13 -3.98 -0.13 0.00 0.00 0.00 0.00 36.38 32.14 3ca6 s VAL 17 CO -0.02 -0.14 1.69 -1.14 0.00 0.00 0.00 175.10 175.49 3ca6 n ARG 18 N 6.65 2.22 -0.94 2.72 0.63 -0.46 -0.79 116.66 126.70 3ca6 n ARG 18 Ca 0.14 0.81 0.00 0.00 -0.92 0.00 0.00 57.85 57.88 3ca6 n ARG 18 Cb 0.45 -2.61 0.00 0.00 0.45 0.00 0.00 32.46 30.75 3ca6 n ARG 18 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3ca6 n ASN 19 N 4.50 -4.76 0.00 6.15 3.02 -1.26 -2.63 115.26 120.28 3ca6 n ASN 19 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 3ca6 n ASN 19 Cb 0.30 -2.92 0.00 0.00 -0.61 0.00 0.00 39.78 36.55 3ca6 n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ca6 n GLY 20 N 0.06 0.35 3.77 7.41 0.00 0.03 -5.00 105.19 111.82 3ca6 n GLY 20 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3ca6 n GLY 20 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ca6 s TYR 21 N -1.78 3.34 -0.83 1.61 4.12 -1.08 -4.96 117.35 117.77 3ca6 s TYR 21 Ca 0.00 1.66 0.10 0.00 0.02 0.00 0.00 57.07 58.84 3ca6 s TYR 21 Cb 0.00 -3.19 0.27 0.00 -1.52 0.00 0.00 41.96 37.52 3ca6 s TYR 21 CO 0.00 -0.65 1.23 -0.40 0.02 0.00 0.00 175.55 175.74 3ca6 n ASP 22 N 0.28 2.82 -4.76 2.29 3.85 -1.26 -4.76 116.55 115.02 3ca6 n ASP 22 Ca 0.03 -2.00 -0.41 0.00 -0.71 0.00 0.00 54.79 51.71 3ca6 n ASP 22 Cb 0.48 -0.21 0.00 0.00 -1.35 0.00 0.00 41.12 40.05 3ca6 n ASP 22 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3ca6 n THR 23 N 0.41 2.15 -1.63 2.12 -2.24 -1.26 -4.90 114.28 108.93 3ca6 n THR 23 Ca 0.10 -0.50 -0.48 0.00 -2.27 0.00 0.00 64.05 60.90 3ca6 n THR 23 Cb 0.41 -1.89 -0.04 0.00 -2.10 0.00 0.00 70.33 66.70 3ca6 n THR 23 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3ca6 n ASP 24 N 0.38 2.29 0.00 3.42 10.43 -1.26 -1.56 116.55 130.24 3ca6 n ASP 24 Ca 0.02 1.11 0.00 0.00 2.57 0.00 0.00 54.79 58.50 3ca6 n ASP 24 Cb 0.39 -1.32 0.00 0.00 1.84 0.00 0.00 41.12 42.03 3ca6 n ASP 24 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3ca6 n GLY 25 N 2.68 0.72 3.73 0.44 0.00 0.22 -5.01 105.19 107.96 3ca6 n GLY 25 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3ca6 n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ca6 s THR 26 N -2.61 2.27 0.45 2.61 2.01 -0.60 -4.72 115.64 115.05 3ca6 s THR 26 Ca 0.00 0.20 -0.20 0.00 0.31 0.00 0.00 61.69 62.00 3ca6 s THR 26 Cb 0.00 -3.13 -0.10 0.00 0.01 0.00 0.00 72.50 69.28 3ca6 s THR 26 CO 0.00 0.02 0.97 -2.16 -0.69 0.00 0.00 174.62 172.76 3ca6 s PRO 27 N 0.69 4.13 0.27 4.92 0.04 -1.26 -1.02 135.00 142.77 3ca6 s PRO 27 Ca 0.70 1.13 -0.20 0.00 0.04 0.00 0.00 61.00 62.66 3ca6 s PRO 27 Cb -0.47 -2.16 -0.09 0.00 0.04 0.00 0.00 34.50 31.82 3ca6 s PRO 27 CO 0.36 -0.12 0.78 -0.51 0.04 0.00 0.00 177.00 177.56 3ca6 s LEU 28 N -3.35 4.27 0.25 -3.56 1.43 -0.72 -1.36 118.68 115.64 3ca6 s LEU 28 Ca 0.62 1.50 0.01 0.00 -1.03 0.00 0.00 54.13 55.22 3ca6 s LEU 28 Cb -0.10 -3.81 -0.03 0.00 0.03 0.00 0.00 46.19 42.28 3ca6 s LEU 28 CO 0.16 -0.05 0.21 0.00 0.23 0.00 0.00 176.35 176.90 3ca6 s GLN 29 N -2.23 1.41 0.12 1.70 -2.07 -0.02 -1.33 119.66 117.24 3ca6 s GLN 29 Ca 0.47 -1.72 -0.20 0.00 -1.82 0.00 0.00 55.36 52.09 3ca6 s GLN 29 Cb -0.16 0.31 -0.07 0.00 -1.09 0.00 0.00 33.01 32.00 3ca6 s GLN 29 CO 0.20 -0.50 0.64 -0.51 -1.32 0.00 0.00 175.29 173.81 3ca6 s LEU 30 N -3.21 4.50 0.01 2.60 1.43 -0.27 -0.84 118.68 122.90 3ca6 s LEU 30 Ca 0.38 1.36 -0.22 0.00 -1.03 0.00 0.00 54.13 54.62 3ca6 s LEU 30 Cb 0.05 -3.13 0.05 0.00 0.03 0.00 0.00 46.19 43.19 3ca6 s LEU 30 CO 0.17 0.21 0.50 0.86 0.23 0.00 0.00 176.35 178.31 3ca6 s TRP 31 N -1.21 -0.40 0.59 0.29 -0.11 -0.64 -0.58 118.94 116.88 3ca6 s TRP 31 Ca 0.33 0.54 -0.19 0.00 1.22 0.00 0.00 56.10 58.01 3ca6 s TRP 31 Cb -0.20 0.29 -0.05 0.00 -1.50 0.00 0.00 33.47 32.01 3ca6 s TRP 31 CO 0.21 -0.57 1.02 -2.30 -4.62 0.00 0.00 176.95 170.69 3ca6 n PRO 32 N 0.72 1.00 -1.86 5.86 -0.02 -1.26 -0.74 135.00 138.70 3ca6 n PRO 32 Ca -0.19 0.38 -0.41 0.00 -2.02 0.00 0.00 63.50 61.26 3ca6 n PRO 32 Cb 0.59 -2.22 -0.01 0.00 -0.02 0.00 0.00 33.50 31.84 3ca6 n PRO 32 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ca6 n GLY 34 N 0.52 1.27 0.69 0.00 0.00 -1.26 -5.04 105.19 101.38 3ca6 n GLY 34 Ca 0.01 -1.03 0.12 0.00 0.00 0.00 0.00 46.02 45.12 3ca6 n GLY 34 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ca6 n THR 35 N -0.23 0.00 -1.67 2.61 -2.24 -1.26 -4.87 114.28 106.62 3ca6 n THR 35 Ca -0.02 -0.36 -0.38 0.00 -2.27 0.00 0.00 64.05 61.03 3ca6 n THR 35 Cb 0.20 1.10 0.06 0.00 -2.10 0.00 0.00 70.33 69.59 3ca6 n THR 35 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ca6 n GLN 36 N 0.63 1.11 0.23 -0.78 0.00 -1.26 -4.86 117.38 112.45 3ca6 n GLN 36 Ca 0.14 0.43 0.06 0.00 0.00 0.00 0.00 57.00 57.63 3ca6 n GLN 36 Cb 0.49 -2.35 0.53 0.00 0.00 0.00 0.00 30.24 28.91 3ca6 n GLN 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3ca6 h ARG 37 N 0.69 0.00 0.00 2.61 2.47 -1.94 -0.26 114.38 117.94 3ca6 h ARG 37 Ca -0.50 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.22 3ca6 h ARG 37 Cb 1.35 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.67 3ca6 h ARG 37 CO 0.53 0.15 0.00 0.27 0.56 0.00 0.00 179.97 181.48 3ca6 n ASN 38 N -4.35 0.00 -0.15 7.04 6.94 -1.26 -1.95 115.26 121.53 3ca6 n ASN 38 Ca -0.03 -1.25 0.02 0.00 -0.02 0.00 0.00 54.58 53.30 3ca6 n ASN 38 Cb 0.22 0.00 0.03 0.00 -2.36 0.00 0.00 39.78 37.66 3ca6 n ASN 38 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ca6 n GLN 39 N -0.70 1.22 -3.66 -3.83 6.02 -0.11 -1.18 117.38 115.15 3ca6 n GLN 39 Ca 0.08 -1.17 -0.37 0.00 -0.01 0.00 0.00 57.00 55.52 3ca6 n GLN 39 Cb 0.03 -1.07 -0.12 0.00 1.02 0.00 0.00 30.24 30.11 3ca6 n GLN 39 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3ca6 s ARG 40 N -0.63 3.78 -0.14 -1.09 1.81 -0.82 -4.28 118.95 117.57 3ca6 s ARG 40 Ca 0.05 -0.42 0.02 0.00 -1.72 0.00 0.00 55.73 53.66 3ca6 s ARG 40 Cb 0.03 -3.52 0.00 0.00 -0.45 0.00 0.00 34.95 31.01 3ca6 s ARG 40 CO 0.04 -0.21 -0.19 -1.58 -0.68 0.00 0.00 175.30 172.68 3ca6 s TRP 41 N 1.69 2.71 -0.25 -0.53 0.52 0.22 -4.30 118.94 119.00 3ca6 s TRP 41 Ca 0.07 -1.16 -0.09 0.00 0.02 0.00 0.00 56.10 54.94 3ca6 s TRP 41 Cb -0.16 -1.84 -0.04 0.00 -1.15 0.00 0.00 33.47 30.29 3ca6 s TRP 41 CO 0.08 -0.52 0.11 0.99 0.02 0.00 0.00 176.95 177.63 3ca6 s THR 42 N 0.74 4.72 -0.25 2.01 2.01 0.71 -1.08 115.64 124.50 3ca6 s THR 42 Ca -0.08 -0.04 -0.14 0.00 0.31 0.00 0.00 61.69 61.75 3ca6 s THR 42 Cb -0.16 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 3ca6 s THR 42 CO 0.00 0.32 0.32 -0.36 -0.69 0.00 0.00 174.62 174.22 3ca6 s PHE 43 N 1.50 3.28 0.28 4.92 0.08 0.76 -0.86 117.98 127.94 3ca6 s PHE 43 Ca 0.06 0.39 0.09 0.00 0.12 0.00 0.00 56.93 57.59 3ca6 s PHE 43 Cb -0.15 -2.49 -0.04 0.00 -0.57 0.00 0.00 43.02 39.77 3ca6 s PHE 43 CO 0.06 -0.12 0.04 0.34 -0.10 0.00 0.00 175.22 175.44 3ca6 s ASP 44 N 1.41 4.64 0.62 1.36 2.15 -0.99 -2.22 116.67 123.63 3ca6 s ASP 44 Ca 0.14 -0.65 0.29 0.00 0.43 0.00 0.00 52.55 52.76 3ca6 s ASP 44 Cb -0.15 -0.86 1.57 0.00 -0.30 0.00 0.00 42.92 43.18 3ca6 s ASP 44 CO 0.09 -0.07 1.94 0.77 -0.17 0.00 0.00 175.17 177.73 3ca6 h SER 45 N 1.78 0.00 -0.04 -0.34 4.64 -1.73 -1.71 113.55 116.15 3ca6 h SER 45 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3ca6 h SER 45 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3ca6 h SER 45 CO 0.61 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.67 3ca6 n ASP 46 N -3.44 0.32 -0.49 4.97 5.75 -1.26 -4.88 116.55 117.52 3ca6 n ASP 46 Ca 0.03 -1.68 -0.06 0.00 -0.01 0.00 0.00 54.79 53.07 3ca6 n ASP 46 Cb 0.50 -0.03 -0.03 0.00 -1.03 0.00 0.00 41.12 40.54 3ca6 n ASP 46 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3ca6 n ASP 47 N -0.48 -4.03 -4.93 -1.12 8.00 -0.64 -4.91 116.55 108.45 3ca6 n ASP 47 Ca 0.10 0.16 -0.25 0.00 0.71 0.00 0.00 54.79 55.50 3ca6 n ASP 47 Cb 0.09 -2.09 -0.01 0.00 -0.02 0.00 0.00 41.12 39.09 3ca6 n ASP 47 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3ca6 s THR 48 N -2.15 5.03 -0.16 -3.53 -4.23 -1.26 -0.48 115.64 108.87 3ca6 s THR 48 Ca 0.00 -0.19 -0.02 0.00 -1.18 0.00 0.00 61.69 60.30 3ca6 s THR 48 Cb 0.00 -3.85 0.05 0.00 1.34 0.00 0.00 72.50 70.03 3ca6 s THR 48 CO 0.00 -0.64 0.00 -0.63 -0.54 0.00 0.00 174.62 172.81 3ca6 s ILE 49 N -2.44 0.66 0.01 2.99 1.01 -1.26 -2.35 121.20 119.81 3ca6 s ILE 49 Ca 0.43 -0.42 0.08 0.00 0.00 0.00 0.00 60.65 60.74 3ca6 s ILE 49 Cb -0.10 -0.99 -0.02 0.00 0.01 0.00 0.00 42.46 41.36 3ca6 s ILE 49 CO 0.39 -0.00 -0.25 -0.13 0.00 0.00 0.00 174.94 174.95 3ca6 s ARG 50 N 1.82 1.85 -0.00 2.79 0.52 -0.04 -0.43 118.95 125.45 3ca6 s ARG 50 Ca 0.01 -0.96 0.01 0.00 -0.52 0.00 0.00 55.73 54.27 3ca6 s ARG 50 Cb -0.15 -1.89 -0.00 0.00 0.52 0.00 0.00 34.95 33.43 3ca6 s ARG 50 CO -0.07 0.50 -0.03 0.45 0.02 0.00 0.00 175.30 176.17 3ca6 s SER 51 N -0.86 0.38 -1.34 0.23 0.15 -0.17 -0.21 113.70 111.89 3ca6 s SER 51 Ca 0.10 -0.06 -0.03 0.00 0.70 0.00 0.00 55.95 56.66 3ca6 s SER 51 Cb -0.09 -0.05 0.02 0.00 -1.71 0.00 0.00 66.02 64.18 3ca6 s SER 51 CO 0.00 0.04 0.22 0.23 1.20 0.00 0.00 173.24 174.92 3ca6 n MET 52 N 3.04 -2.88 -0.95 5.44 2.81 -1.26 -1.44 117.12 121.88 3ca6 n MET 52 Ca -0.13 0.72 0.00 0.00 -1.81 0.00 0.00 57.70 56.48 3ca6 n MET 52 Cb 0.59 -5.40 0.00 0.00 -0.71 0.00 0.00 33.22 27.69 3ca6 n MET 52 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ca6 n GLY 53 N -1.06 0.70 3.60 3.03 0.00 -1.26 -5.02 105.19 105.18 3ca6 n GLY 53 Ca -0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 3ca6 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ca6 s LYS 54 N -0.20 2.02 0.21 1.61 1.02 -0.52 -4.70 119.74 119.18 3ca6 s LYS 54 Ca 0.00 -1.74 -0.17 0.00 0.02 0.00 0.00 55.97 54.08 3ca6 s LYS 54 Cb 0.00 -1.90 -0.08 0.00 -0.52 0.00 0.00 37.83 35.33 3ca6 s LYS 54 CO 0.00 0.18 0.66 0.00 -0.92 0.00 0.00 175.35 175.28 3ca6 s MET 56 N -2.07 4.23 -0.03 0.00 1.75 0.42 -1.17 119.30 122.43 3ca6 s MET 56 Ca 0.42 2.23 0.00 0.00 -1.25 0.00 0.00 55.69 57.09 3ca6 s MET 56 Cb -0.15 -3.53 0.03 0.00 2.84 0.00 0.00 34.83 34.01 3ca6 s MET 56 CO 0.20 -0.67 0.02 0.99 -0.65 0.00 0.00 175.02 174.91 3ca6 s THR 57 N 2.36 0.04 -0.19 10.11 2.01 0.44 -4.45 115.64 125.97 3ca6 s THR 57 Ca 0.71 0.18 -0.29 0.00 0.31 0.00 0.00 61.69 62.59 3ca6 s THR 57 Cb -0.38 -0.17 -0.01 0.00 0.01 0.00 0.00 72.50 71.95 3ca6 s THR 57 CO 0.31 0.12 1.22 0.00 -0.69 0.00 0.00 174.62 175.57 3ca6 s ALA 58 N 1.14 3.65 -1.12 7.40 0.00 -0.22 -0.88 121.76 131.74 3ca6 s ALA 58 Ca -0.08 0.38 -0.05 0.00 0.00 0.00 0.00 51.96 52.20 3ca6 s ALA 58 Cb -0.13 -3.61 0.28 0.00 0.00 0.00 0.00 23.12 19.65 3ca6 s ALA 58 CO -0.02 -1.18 1.54 -1.71 0.00 0.00 0.00 175.76 174.38 3ca6 n ASN 59 N 6.61 6.13 0.00 0.00 5.15 0.48 -4.72 115.26 128.91 3ca6 n ASN 59 Ca 0.14 -3.34 0.00 0.00 -0.60 0.00 0.00 54.58 50.78 3ca6 n ASN 59 Cb 0.45 -1.32 0.00 0.00 -0.53 0.00 0.00 39.78 38.38 3ca6 n ASN 59 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ca6 n GLY 60 N 1.68 2.71 2.45 8.20 0.00 -1.26 -4.04 105.19 114.94 3ca6 n GLY 60 Ca 0.29 -1.84 -0.18 0.00 0.00 0.00 0.00 46.02 44.29 3ca6 n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ca6 n LEU 61 N 0.00 3.52 -4.56 0.99 4.77 -1.26 -4.74 117.00 115.72 3ca6 n LEU 61 Ca 0.00 -4.38 -0.26 0.00 -0.03 0.00 0.00 56.01 51.35 3ca6 n LEU 61 Cb 0.00 -0.07 -0.11 0.00 -2.33 0.00 0.00 43.42 40.91 3ca6 n LEU 61 CO 0.00 1.84 -0.31 0.20 -1.33 0.00 0.00 177.39 177.79 3ca6 s ASN 62 N -3.52 3.49 0.15 -1.43 -0.87 -1.26 -4.92 114.94 106.59 3ca6 s ASN 62 Ca 0.41 -1.32 -0.31 0.00 -1.57 0.00 0.00 52.86 50.07 3ca6 s ASN 62 Cb 0.40 -0.32 -0.11 0.00 -0.02 0.00 0.00 41.25 41.21 3ca6 s ASN 62 CO -0.05 -0.41 1.80 0.21 -2.57 0.00 0.00 177.10 176.08 3ca6 s ASN 63 N -3.63 6.40 0.00 -1.22 2.47 -1.26 -1.41 114.94 116.30 3ca6 s ASN 63 Ca 0.34 2.80 0.00 0.00 0.42 0.00 0.00 52.86 56.42 3ca6 s ASN 63 Cb 0.08 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.30 3ca6 s ASN 63 CO 0.17 -1.00 0.00 0.61 -3.72 0.00 0.00 177.10 173.16 3ca6 n GLY 64 N 4.16 0.79 3.75 1.21 0.00 0.73 -5.00 105.19 110.83 3ca6 n GLY 64 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3ca6 n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ca6 s SER 65 N -2.89 5.40 0.43 1.61 0.01 -0.50 -4.74 113.70 113.02 3ca6 s SER 65 Ca 0.00 2.74 -0.22 0.00 1.31 0.00 0.00 55.95 59.79 3ca6 s SER 65 Cb 0.00 -2.63 -0.10 0.00 0.21 0.00 0.00 66.02 63.49 3ca6 s SER 65 CO 0.00 -1.48 0.97 0.20 0.41 0.00 0.00 173.24 173.34 3ca6 s ASN 66 N -0.94 6.88 -0.13 2.44 0.01 -1.26 -0.49 114.94 121.45 3ca6 s ASN 66 Ca 0.70 1.76 -0.03 0.00 -0.71 0.00 0.00 52.86 54.58 3ca6 s ASN 66 Cb -0.40 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 38.69 3ca6 s ASN 66 CO 0.47 -0.40 -0.04 -0.63 -1.51 0.00 0.00 177.10 174.99 3ca6 s ILE 67 N -2.06 3.87 0.25 0.60 1.01 -1.10 -0.39 121.20 123.37 3ca6 s ILE 67 Ca 0.61 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.90 3ca6 s ILE 67 Cb -0.12 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 3ca6 s ILE 67 CO 0.16 0.52 0.12 0.68 0.00 0.00 0.00 174.94 176.42 3ca6 s VAL 68 N 0.07 0.33 0.09 2.92 -7.23 -0.06 -1.76 120.40 114.77 3ca6 s VAL 68 Ca -0.01 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.04 3ca6 s VAL 68 Cb -0.14 -2.57 -0.06 0.00 0.56 0.00 0.00 36.38 34.18 3ca6 s VAL 68 CO 0.03 0.00 0.45 -0.51 -0.31 0.00 0.00 175.10 174.76 3ca6 s ILE 69 N -3.84 5.00 -0.13 -0.62 1.10 -0.19 -0.42 121.20 122.11 3ca6 s ILE 69 Ca 0.38 0.64 -0.27 0.00 -0.51 0.00 0.00 60.65 60.89 3ca6 s ILE 69 Cb 0.07 -3.69 0.07 0.00 0.15 0.00 0.00 42.46 39.05 3ca6 s ILE 69 CO 0.14 0.32 0.66 0.12 -2.11 0.00 0.00 174.94 174.07 3ca6 s PHE 70 N -1.37 -0.66 -0.07 3.50 5.36 -0.32 -0.61 117.98 123.81 3ca6 s PHE 70 Ca 0.33 1.36 -0.40 0.00 -0.96 0.00 0.00 56.93 57.27 3ca6 s PHE 70 Cb -0.15 0.32 -0.18 0.00 -0.34 0.00 0.00 43.02 42.68 3ca6 s PHE 70 CO 0.18 -0.49 1.35 -1.71 -1.46 0.00 0.00 175.22 173.08 3ca6 n ASN 71 N 1.68 1.16 -0.19 6.13 2.85 -1.26 -0.85 115.26 124.78 3ca6 n ASN 71 Ca -0.17 1.13 -0.08 0.00 -0.11 0.00 0.00 54.58 55.35 3ca6 n ASN 71 Cb 0.56 -1.06 0.06 0.00 1.24 0.00 0.00 39.78 40.58 3ca6 n ASN 71 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3ca6 h SER 73 N 0.93 0.00 0.19 0.00 4.64 -1.97 -3.20 113.55 114.15 3ca6 h SER 73 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3ca6 h SER 73 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3ca6 h SER 73 CO 0.03 0.60 -1.26 0.35 -0.87 0.00 0.00 176.83 175.69 3ca6 n THR 74 N -3.78 0.07 -1.69 2.95 -2.24 -1.18 -4.94 114.28 103.47 3ca6 n THR 74 Ca -0.01 -0.23 -0.32 0.00 -2.27 0.00 0.00 64.05 61.22 3ca6 n THR 74 Cb 0.61 0.41 0.04 0.00 -2.10 0.00 0.00 70.33 69.29 3ca6 n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ca6 s ALA 75 N -3.21 2.61 0.29 6.98 0.00 -0.79 -4.97 121.76 122.66 3ca6 s ALA 75 Ca 0.02 0.25 -0.30 0.00 0.00 0.00 0.00 51.96 51.93 3ca6 s ALA 75 Cb 0.15 -3.22 -0.11 0.00 0.00 0.00 0.00 23.12 19.93 3ca6 s ALA 75 CO 0.85 -1.18 1.59 0.00 0.00 0.00 0.00 175.76 177.02 3ca6 s ALA 76 N -2.77 3.75 0.22 0.00 0.00 -1.26 -4.92 121.76 116.77 3ca6 s ALA 76 Ca 0.61 1.57 -0.08 0.00 0.00 0.00 0.00 51.96 54.05 3ca6 s ALA 76 Cb -0.16 -3.65 0.24 0.00 0.00 0.00 0.00 23.12 19.55 3ca6 s ALA 76 CO 0.48 -0.98 1.85 0.93 0.00 0.00 0.00 175.76 178.05 3ca6 h GLU 77 N 4.88 0.89 -0.25 0.00 4.39 -1.93 -1.31 114.58 121.25 3ca6 h GLU 77 Ca -0.47 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.20 3ca6 h GLU 77 Cb 1.22 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 3ca6 h GLU 77 CO 0.79 0.59 0.17 -0.91 -1.16 0.00 0.00 179.01 178.50 3ca6 h ASN 78 N 0.92 0.19 1.14 1.42 2.35 -1.97 -2.62 115.58 117.02 3ca6 h ASN 78 Ca 0.31 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 3ca6 h ASN 78 Cb 0.05 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.38 3ca6 h ASN 78 CO -0.13 0.13 -0.23 0.00 -1.65 0.00 0.00 177.43 175.56 3ca6 n ALA 79 N -2.53 2.59 0.17 -0.83 0.00 -0.50 -3.65 120.51 115.77 3ca6 n ALA 79 Ca 0.02 -0.13 0.06 0.00 0.00 0.00 0.00 53.44 53.38 3ca6 n ALA 79 Cb 0.16 -1.35 0.10 0.00 0.00 0.00 0.00 19.45 18.36 3ca6 n ALA 79 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3ca6 n ILE 80 N -2.04 0.46 -3.74 0.00 -5.35 -0.99 -1.05 119.36 106.65 3ca6 n ILE 80 Ca 0.05 -0.73 -0.36 0.00 -0.27 0.00 0.00 62.75 61.44 3ca6 n ILE 80 Cb 0.41 0.90 -0.07 0.00 -1.74 0.00 0.00 39.64 39.14 3ca6 n ILE 80 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3ca6 s LYS 81 N -0.97 3.89 0.02 6.28 -0.14 -1.21 -4.16 119.74 123.44 3ca6 s LYS 81 Ca 0.18 -0.08 0.01 0.00 -1.36 0.00 0.00 55.97 54.71 3ca6 s LYS 81 Cb 0.11 -3.32 -0.02 0.00 -1.68 0.00 0.00 37.83 32.93 3ca6 s LYS 81 CO 0.15 0.51 -0.04 -1.58 -0.76 0.00 0.00 175.35 173.63 3ca6 s TRP 82 N -0.28 0.31 0.26 3.18 0.52 0.37 -4.07 118.94 119.23 3ca6 s TRP 82 Ca 0.13 -0.38 0.07 0.00 0.02 0.00 0.00 56.10 55.94 3ca6 s TRP 82 Cb -0.12 -0.20 -0.05 0.00 -1.15 0.00 0.00 33.47 31.94 3ca6 s TRP 82 CO 0.02 -0.11 -0.08 -1.21 0.02 0.00 0.00 176.95 175.59 3ca6 s GLU 83 N -1.08 1.49 -0.55 4.98 2.02 -0.28 -4.72 118.70 120.56 3ca6 s GLU 83 Ca -0.10 -1.73 0.04 0.00 0.02 0.00 0.00 54.97 53.20 3ca6 s GLU 83 Cb -0.07 -1.15 0.15 0.00 0.10 0.00 0.00 34.13 33.16 3ca6 s GLU 83 CO -0.00 0.08 0.36 0.08 0.02 0.00 0.00 175.26 175.80 3ca6 s VAL 84 N -3.00 2.02 0.68 2.63 1.01 -1.26 -1.48 120.40 121.00 3ca6 s VAL 84 Ca 0.28 -3.39 -0.17 0.00 0.00 0.00 0.00 61.98 58.70 3ca6 s VAL 84 Cb 0.02 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 3ca6 s VAL 84 CO 0.11 -0.98 0.65 -2.65 0.00 0.00 0.00 175.10 172.22 3ca6 n PRO 85 N 2.73 0.44 0.25 2.72 -0.02 -1.17 -4.86 135.00 135.08 3ca6 n PRO 85 Ca 0.16 0.19 0.10 0.00 -2.02 0.00 0.00 63.50 61.93 3ca6 n PRO 85 Cb 0.37 -1.91 0.64 0.00 -0.02 0.00 0.00 33.50 32.58 3ca6 n PRO 85 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 3ca6 h ILE 86 N -0.15 0.72 0.00 4.25 3.07 -1.99 -0.83 117.51 122.58 3ca6 h ILE 86 Ca -0.46 -0.64 0.00 0.00 1.55 0.00 0.00 64.86 65.31 3ca6 h ILE 86 Cb 1.36 1.39 0.00 0.00 -0.27 0.00 0.00 36.82 39.30 3ca6 h ILE 86 CO 0.45 0.15 0.00 -0.90 -1.05 0.00 0.00 178.15 176.80 3ca6 n ASP 87 N -3.78 0.00 0.00 2.16 3.85 -1.26 -4.88 116.55 112.63 3ca6 n ASP 87 Ca -0.02 -0.94 0.00 0.00 -0.71 0.00 0.00 54.79 53.12 3ca6 n ASP 87 Cb 0.26 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.03 3ca6 n ASP 87 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ca6 n GLY 88 N 0.66 0.52 3.74 6.12 0.00 -0.32 -4.84 105.19 111.07 3ca6 n GLY 88 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 3ca6 n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ca6 s SER 89 N -2.90 4.08 -0.19 1.61 0.01 -1.25 -0.80 113.70 114.26 3ca6 s SER 89 Ca 0.00 1.87 0.00 0.00 1.31 0.00 0.00 55.95 59.14 3ca6 s SER 89 Cb 0.00 -2.51 0.04 0.00 0.21 0.00 0.00 66.02 63.77 3ca6 s SER 89 CO 0.00 -2.31 -0.08 -0.63 0.41 0.00 0.00 173.24 170.62 3ca6 s ILE 90 N -2.85 1.49 0.01 1.44 1.01 -1.26 -3.05 121.20 117.99 3ca6 s ILE 90 Ca 0.62 -0.93 0.06 0.00 0.00 0.00 0.00 60.65 60.40 3ca6 s ILE 90 Cb -0.18 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.65 3ca6 s ILE 90 CO 0.57 0.13 -0.16 -0.51 0.00 0.00 0.00 174.94 174.96 3ca6 s ILE 91 N 1.46 2.92 -0.46 2.92 2.07 -0.55 -1.22 121.20 128.35 3ca6 s ILE 91 Ca -0.01 -1.01 -0.21 0.00 -1.41 0.00 0.00 60.65 58.01 3ca6 s ILE 91 Cb -0.16 -2.21 0.03 0.00 0.13 0.00 0.00 42.46 40.25 3ca6 s ILE 91 CO -0.08 0.42 0.68 0.21 -1.91 0.00 0.00 174.94 174.26 3ca6 s ASN 92 N -1.21 6.32 0.44 4.50 3.84 -0.25 -1.13 114.94 127.44 3ca6 s ASN 92 Ca 0.14 -0.42 0.11 0.00 0.21 0.00 0.00 52.86 52.90 3ca6 s ASN 92 Cb -0.11 -2.33 0.99 0.00 -0.55 0.00 0.00 41.25 39.25 3ca6 s ASN 92 CO 0.04 -0.85 2.05 -0.65 -2.79 0.00 0.00 177.10 174.90 3ca6 h PRO 93 N 8.94 0.40 -0.12 0.43 0.11 -1.88 0.24 132.00 140.12 3ca6 h PRO 93 Ca -0.26 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.82 3ca6 h PRO 93 Cb 1.09 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3ca6 h PRO 93 CO 0.93 0.26 0.06 1.03 -0.21 0.00 0.00 178.00 180.07 3ca6 h SER 94 N 0.41 0.16 0.76 -2.05 0.87 -1.88 -3.24 113.55 108.57 3ca6 h SER 94 Ca 0.17 -0.13 -0.17 0.00 -1.23 0.00 0.00 61.79 60.42 3ca6 h SER 94 Cb 0.15 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 3ca6 h SER 94 CO -0.04 0.25 -1.35 0.77 -0.53 0.00 0.00 176.83 175.93 3ca6 h SER 95 N 0.06 0.00 0.00 6.23 4.64 -1.88 -3.48 113.55 119.12 3ca6 h SER 95 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3ca6 h SER 95 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3ca6 h SER 95 CO -0.00 0.59 0.00 0.61 -0.87 0.00 0.00 176.83 177.16 3ca6 n GLY 96 N 1.39 0.93 3.88 -0.77 0.00 0.06 -5.02 105.19 105.65 3ca6 n GLY 96 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 3ca6 n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ca6 s LEU 97 N 0.00 3.57 0.13 0.99 1.43 -1.25 -4.60 118.68 118.95 3ca6 s LEU 97 Ca 0.00 1.18 0.08 0.00 -1.03 0.00 0.00 54.13 54.36 3ca6 s LEU 97 Cb 0.00 -4.14 -0.04 0.00 0.03 0.00 0.00 46.19 42.04 3ca6 s LEU 97 CO 0.00 -0.62 -0.19 0.68 0.23 0.00 0.00 176.35 176.45 3ca6 s VAL 98 N -2.76 1.76 0.05 -1.59 -7.23 -0.50 -1.09 120.40 109.04 3ca6 s VAL 98 Ca 0.52 -1.74 -0.31 0.00 -1.81 0.00 0.00 61.98 58.64 3ca6 s VAL 98 Cb -0.10 -1.70 -0.06 0.00 0.56 0.00 0.00 36.38 35.07 3ca6 s VAL 98 CO 0.43 -0.20 1.29 -0.32 -0.31 0.00 0.00 175.10 175.99 3ca6 s MET 99 N -2.38 4.36 -0.01 4.82 1.75 -0.36 -1.34 119.30 126.14 3ca6 s MET 99 Ca 0.11 1.89 0.02 0.00 -1.25 0.00 0.00 55.69 56.46 3ca6 s MET 99 Cb -0.08 -3.38 -0.00 0.00 2.84 0.00 0.00 34.83 34.21 3ca6 s MET 99 CO 0.05 -0.39 -0.07 0.99 -0.65 0.00 0.00 175.02 174.95 3ca6 s THR 100 N 1.45 0.61 -0.50 10.11 2.01 0.47 -4.48 115.64 125.31 3ca6 s THR 100 Ca 0.61 -0.30 -0.13 0.00 0.31 0.00 0.00 61.69 62.18 3ca6 s THR 100 Cb -0.31 -0.53 0.11 0.00 0.01 0.00 0.00 72.50 71.78 3ca6 s THR 100 CO 0.28 0.18 0.41 0.00 -0.69 0.00 0.00 174.62 174.80 3ca6 s ALA 101 N -0.02 3.51 0.01 7.40 0.00 0.06 -1.64 121.76 131.09 3ca6 s ALA 101 Ca 0.01 -2.46 0.32 0.00 0.00 0.00 0.00 51.96 49.83 3ca6 s ALA 101 Cb -0.05 -3.02 1.21 0.00 0.00 0.00 0.00 23.12 21.26 3ca6 s ALA 101 CO -0.00 -1.91 1.93 -1.35 0.00 0.00 0.00 175.76 174.43 3ca6 h PRO 102 N 8.66 0.00 -4.83 0.00 0.11 -1.86 -3.44 132.00 130.64 3ca6 h PRO 102 Ca -0.26 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.58 3ca6 h PRO 102 Cb 1.09 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.05 3ca6 h PRO 102 CO 0.93 0.00 -0.70 1.03 -0.21 0.00 0.00 178.00 179.05 3ca6 s ARG 103 N -3.60 0.95 0.19 1.05 0.52 -1.26 -5.06 118.95 111.75 3ca6 s ARG 103 Ca 0.02 -1.40 0.26 0.00 -0.52 0.00 0.00 55.73 54.09 3ca6 s ARG 103 Cb 0.08 -0.38 0.77 0.00 0.52 0.00 0.00 34.95 35.94 3ca6 s ARG 103 CO 0.56 0.01 1.73 0.00 0.02 0.00 0.00 175.30 177.61 3ca6 n ALA 104 N -0.13 2.37 -1.78 2.13 0.00 -1.26 -4.88 120.51 116.95 3ca6 n ALA 104 Ca -0.11 -0.05 -0.35 0.00 0.00 0.00 0.00 53.44 52.93 3ca6 n ALA 104 Cb 0.61 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.61 3ca6 n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ca6 s ALA 105 N -3.10 2.77 0.35 0.00 0.00 -1.26 -4.88 121.76 115.64 3ca6 s ALA 105 Ca 0.10 0.74 -0.27 0.00 0.00 0.00 0.00 51.96 52.53 3ca6 s ALA 105 Cb 0.13 -3.32 -0.12 0.00 0.00 0.00 0.00 23.12 19.81 3ca6 s ALA 105 CO 0.61 -0.58 1.20 0.43 0.00 0.00 0.00 175.76 177.42 3ca6 n SER 106 N -1.15 2.27 0.00 0.00 7.64 -1.26 -2.16 113.62 118.96 3ca6 n SER 106 Ca 0.11 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.15 3ca6 n SER 106 Cb 0.52 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 3ca6 n SER 106 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3ca6 n ARG 107 N 0.46 0.00 -1.93 1.43 1.74 0.26 -5.00 116.66 113.62 3ca6 n ARG 107 Ca 0.06 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.73 3ca6 n ARG 107 Cb 0.36 -2.63 -0.02 0.00 -1.02 0.00 0.00 32.46 29.15 3ca6 n ARG 107 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3ca6 s THR 108 N -3.18 2.42 0.05 0.55 2.01 -0.92 -4.78 115.64 111.79 3ca6 s THR 108 Ca 0.00 0.37 -0.19 0.00 0.31 0.00 0.00 61.69 62.18 3ca6 s THR 108 Cb 0.00 -3.24 -0.06 0.00 0.01 0.00 0.00 72.50 69.21 3ca6 s THR 108 CO 0.00 0.07 0.55 -0.63 -0.69 0.00 0.00 174.62 173.92 3ca6 s ILE 109 N -0.30 4.81 0.12 1.82 -1.09 -1.26 -1.11 121.20 124.20 3ca6 s ILE 109 Ca 0.58 1.16 -0.16 0.00 -2.23 0.00 0.00 60.65 60.00 3ca6 s ILE 109 Cb -0.44 -3.88 -0.07 0.00 -1.58 0.00 0.00 42.46 36.50 3ca6 s ILE 109 CO 0.48 0.53 0.56 -0.76 -1.23 0.00 0.00 174.94 174.53 3ca6 s LEU 110 N -0.93 4.41 0.13 2.97 1.43 -0.44 -4.36 118.68 121.89 3ca6 s LEU 110 Ca 0.28 1.16 0.05 0.00 -1.03 0.00 0.00 54.13 54.60 3ca6 s LEU 110 Cb -0.19 -3.14 -0.04 0.00 0.03 0.00 0.00 46.19 42.85 3ca6 s LEU 110 CO 0.18 0.17 -0.11 -0.76 0.23 0.00 0.00 176.35 176.05 3ca6 s LEU 111 N -1.63 2.46 -0.11 1.79 1.43 -0.65 -2.72 118.68 119.25 3ca6 s LEU 111 Ca 0.35 -0.90 -0.21 0.00 -1.03 0.00 0.00 54.13 52.34 3ca6 s LEU 111 Cb -0.17 -0.40 -0.04 0.00 0.03 0.00 0.00 46.19 45.61 3ca6 s LEU 111 CO 0.19 -0.25 0.61 -0.76 0.23 0.00 0.00 176.35 176.37 3ca6 s LEU 112 N -2.76 4.27 0.07 1.79 1.43 0.36 -0.40 118.68 123.44 3ca6 s LEU 112 Ca 0.11 1.00 -0.06 0.00 -1.03 0.00 0.00 54.13 54.15 3ca6 s LEU 112 Cb -0.01 -2.92 -0.01 0.00 0.03 0.00 0.00 46.19 43.28 3ca6 s LEU 112 CO 0.01 -0.10 0.11 -1.61 0.23 0.00 0.00 176.35 174.99 3ca6 s GLU 113 N 0.93 0.73 0.29 1.70 2.02 -0.45 -0.19 118.70 123.73 3ca6 s GLU 113 Ca 0.32 -0.99 -0.29 0.00 0.02 0.00 0.00 54.97 54.03 3ca6 s GLU 113 Cb -0.16 0.29 -0.13 0.00 0.10 0.00 0.00 34.13 34.22 3ca6 s GLU 113 CO 0.14 -0.20 1.24 -0.25 0.02 0.00 0.00 175.26 176.21 3ca6 n ASP 114 N 0.13 2.30 -4.66 -0.19 8.00 -1.26 -1.40 116.55 119.47 3ca6 n ASP 114 Ca -0.15 1.18 -0.43 0.00 0.71 0.00 0.00 54.79 56.10 3ca6 n ASP 114 Cb 0.61 -1.40 -0.02 0.00 -0.02 0.00 0.00 41.12 40.29 3ca6 n ASP 114 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3ca6 s ASN 115 N -0.19 6.93 -0.03 -2.24 2.47 -1.26 -4.84 114.94 115.78 3ca6 s ASN 115 Ca 0.61 1.65 0.05 0.00 0.42 0.00 0.00 52.86 55.59 3ca6 s ASN 115 Cb -0.64 -2.54 0.07 0.00 -1.45 0.00 0.00 41.25 36.69 3ca6 s ASN 115 CO 0.58 -0.78 1.03 2.30 -3.72 0.00 0.00 177.10 176.50 3ca6 n ILE 116 N 5.43 1.20 -2.83 -5.21 -5.35 -1.26 -4.99 119.36 106.34 3ca6 n ILE 116 Ca 0.14 -1.29 -0.21 0.00 -0.27 0.00 0.00 62.75 61.11 3ca6 n ILE 116 Cb 0.45 0.32 0.02 0.00 -1.74 0.00 0.00 39.64 38.69 3ca6 n ILE 116 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3ca6 n TYR 117 N -0.72 -1.63 -2.01 4.28 4.02 -1.26 -4.70 117.16 115.14 3ca6 n TYR 117 Ca 0.04 0.33 -0.32 0.00 -0.01 0.00 0.00 57.90 57.94 3ca6 n TYR 117 Cb 0.36 -4.08 0.01 0.00 -0.02 0.00 0.00 39.34 35.61 3ca6 n TYR 117 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3ca6 s ALA 118 N -3.08 2.81 0.51 -0.72 0.00 -1.26 -4.27 121.76 115.76 3ca6 s ALA 118 Ca 0.20 0.26 0.30 0.00 0.00 0.00 0.00 51.96 52.72 3ca6 s ALA 118 Cb -0.09 -3.19 1.68 0.00 0.00 0.00 0.00 23.12 21.52 3ca6 s ALA 118 CO 0.25 -0.77 2.17 0.00 0.00 0.00 0.00 175.76 177.41 3ca6 h ALA 119 N 0.25 1.38 0.00 0.00 0.00 -1.04 -0.83 119.26 119.02 3ca6 h ALA 119 Ca -0.46 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3ca6 h ALA 119 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3ca6 h ALA 119 CO 0.58 0.07 0.00 0.43 0.00 0.00 0.00 179.25 180.33 3ca6 n SER 120 N -3.70 0.00 -0.06 0.00 7.64 -0.86 -2.12 113.62 114.52 3ca6 n SER 120 Ca -0.02 -0.66 0.04 0.00 1.01 0.00 0.00 58.87 59.24 3ca6 n SER 120 Cb 0.16 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.41 3ca6 n SER 120 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ca6 n GLN 121 N -0.94 1.86 -3.94 1.43 6.02 -0.32 -0.76 117.38 120.72 3ca6 n GLN 121 Ca 0.13 -1.80 -0.35 0.00 -0.01 0.00 0.00 57.00 54.96 3ca6 n GLN 121 Cb 0.06 -1.12 -0.06 0.00 1.02 0.00 0.00 30.24 30.14 3ca6 n GLN 121 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3ca6 s GLY 122 N -1.65 2.13 0.06 1.08 0.00 -0.90 -4.21 107.32 103.83 3ca6 s GLY 122 Ca 0.12 -0.71 -0.08 0.00 0.00 0.00 0.00 44.72 44.06 3ca6 s GLY 122 CO 0.01 -0.50 0.16 -0.98 0.00 0.00 0.00 173.10 171.79 3ca6 s TRP 123 N -1.12 0.15 -0.04 1.90 0.52 0.02 -4.15 118.94 116.23 3ca6 s TRP 123 Ca 0.19 -0.50 -0.00 0.00 0.02 0.00 0.00 56.10 55.81 3ca6 s TRP 123 Cb -0.12 -0.09 0.03 0.00 -1.15 0.00 0.00 33.47 32.14 3ca6 s TRP 123 CO 0.09 -0.46 0.00 0.99 0.02 0.00 0.00 176.95 177.59 3ca6 s THR 124 N -3.21 0.24 -0.44 2.01 2.01 0.35 -4.56 115.64 112.04 3ca6 s THR 124 Ca -0.00 0.10 -0.21 0.00 0.31 0.00 0.00 61.69 61.90 3ca6 s THR 124 Cb 0.02 -0.36 0.03 0.00 0.01 0.00 0.00 72.50 72.20 3ca6 s THR 124 CO -0.07 0.19 0.65 -0.69 -0.69 0.00 0.00 174.62 174.00 3ca6 s VAL 125 N 1.35 4.82 -0.00 3.82 1.01 -1.26 -0.70 120.40 129.43 3ca6 s VAL 125 Ca -0.05 0.10 -0.28 0.00 0.00 0.00 0.00 61.98 61.75 3ca6 s VAL 125 Cb -0.13 -4.22 0.09 0.00 0.00 0.00 0.00 36.38 32.11 3ca6 s VAL 125 CO -0.02 -0.62 0.76 0.28 0.00 0.00 0.00 175.10 175.49 3ca6 s THR 126 N 2.85 0.00 -0.65 3.92 -1.32 -0.71 -4.98 115.64 114.75 3ca6 s THR 126 Ca 0.23 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.95 3ca6 s THR 126 Cb -0.14 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.86 3ca6 s THR 126 CO 0.19 0.00 1.25 0.59 -2.21 0.00 0.00 174.62 174.44 3ca6 n ASN 127 N 0.30 0.67 -4.48 8.08 3.02 -1.26 -1.34 115.26 120.25 3ca6 n ASN 127 Ca -0.15 0.03 -0.43 0.00 -0.03 0.00 0.00 54.58 54.00 3ca6 n ASN 127 Cb 0.60 0.32 -0.04 0.00 -0.61 0.00 0.00 39.78 40.05 3ca6 n ASN 127 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3ca6 s ASN 128 N -4.10 6.25 -0.12 6.41 3.84 -1.26 -4.90 114.94 121.07 3ca6 s ASN 128 Ca 0.06 -0.72 0.10 0.00 0.21 0.00 0.00 52.86 52.52 3ca6 s ASN 128 Cb 0.14 -2.40 0.51 0.00 -0.55 0.00 0.00 41.25 38.95 3ca6 s ASN 128 CO 0.74 -1.24 1.32 1.33 -2.79 0.00 0.00 177.10 176.46 3ca6 n VAL 129 N 5.97 1.52 -4.46 -5.21 0.24 -1.26 -4.84 118.33 110.29 3ca6 n VAL 129 Ca -0.02 -0.84 -0.33 0.00 -2.04 0.00 0.00 64.34 61.11 3ca6 n VAL 129 Cb 0.46 -0.19 -0.10 0.00 -1.47 0.00 0.00 33.84 32.54 3ca6 n VAL 129 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3ca6 s LYS 130 N -1.95 2.64 0.44 7.34 1.02 -1.26 -4.94 119.74 123.03 3ca6 s LYS 130 Ca 0.35 -0.66 -0.24 0.00 0.02 0.00 0.00 55.97 55.44 3ca6 s LYS 130 Cb 0.25 -2.56 -0.10 0.00 -0.52 0.00 0.00 37.83 34.90 3ca6 s LYS 130 CO 0.13 0.62 1.06 -2.30 -0.92 0.00 0.00 175.35 173.94 3ca6 n PRO 131 N 1.69 1.42 -2.89 -1.68 -0.02 -1.26 -4.95 135.00 127.30 3ca6 n PRO 131 Ca -0.16 0.51 -0.41 0.00 -2.02 0.00 0.00 63.50 61.43 3ca6 n PRO 131 Cb 0.53 -2.13 -0.04 0.00 -0.02 0.00 0.00 33.50 31.83 3ca6 n PRO 131 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3ca6 s ILE 132 N -1.29 4.83 -0.21 4.25 1.01 -1.10 -4.81 121.20 123.87 3ca6 s ILE 132 Ca 0.64 1.76 -0.05 0.00 0.00 0.00 0.00 60.65 63.00 3ca6 s ILE 132 Cb -0.53 -4.18 -0.02 0.00 0.01 0.00 0.00 42.46 37.74 3ca6 s ILE 132 CO 0.56 0.27 -0.00 -0.69 0.00 0.00 0.00 174.94 175.08 3ca6 s VAL 133 N 0.49 3.86 0.06 2.92 1.01 -1.26 -0.03 120.40 127.44 3ca6 s VAL 133 Ca 0.43 -0.34 -0.09 0.00 0.00 0.00 0.00 61.98 61.98 3ca6 s VAL 133 Cb -0.20 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.42 3ca6 s VAL 133 CO 0.24 0.41 0.19 0.00 0.00 0.00 0.00 175.10 175.94 3ca6 s ALA 134 N 1.19 -0.30 0.40 5.51 0.00 -0.22 -1.86 121.76 126.49 3ca6 s ALA 134 Ca 0.03 -0.41 -0.15 0.00 0.00 0.00 0.00 51.96 51.43 3ca6 s ALA 134 Cb -0.15 0.35 -0.08 0.00 0.00 0.00 0.00 23.12 23.24 3ca6 s ALA 134 CO 0.01 -0.41 0.83 -1.12 0.00 0.00 0.00 175.76 175.07 3ca6 s SER 135 N -2.35 6.71 -0.29 0.00 0.01 0.67 -1.12 113.70 117.33 3ca6 s SER 135 Ca -0.02 1.37 0.03 0.00 1.31 0.00 0.00 55.95 58.64 3ca6 s SER 135 Cb 0.01 -2.42 0.07 0.00 0.21 0.00 0.00 66.02 63.90 3ca6 s SER 135 CO -0.06 -0.36 -0.04 -0.63 0.41 0.00 0.00 173.24 172.55 3ca6 s ILE 136 N -2.25 2.28 -0.16 1.44 1.01 -1.26 -0.91 121.20 121.35 3ca6 s ILE 136 Ca 0.56 -1.86 -0.11 0.00 0.00 0.00 0.00 60.65 59.24 3ca6 s ILE 136 Cb -0.10 -2.46 -0.05 0.00 0.01 0.00 0.00 42.46 39.86 3ca6 s ILE 136 CO 0.23 -0.23 0.19 -0.69 0.00 0.00 0.00 174.94 174.44 3ca6 s VAL 137 N 1.05 5.38 0.00 2.92 1.01 -0.27 -0.77 120.40 129.72 3ca6 s VAL 137 Ca -0.02 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.29 3ca6 s VAL 137 Cb -0.20 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.67 3ca6 s VAL 137 CO -0.06 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.13 3ca6 n GLY 138 N 3.02 5.43 3.61 4.51 0.00 0.23 -0.34 105.19 121.65 3ca6 n GLY 138 Ca -0.16 -0.92 -0.48 0.00 0.00 0.00 0.00 46.02 44.47 3ca6 n GLY 138 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3ca6 n TYR 139 N 0.00 1.67 -1.49 1.61 -0.00 -1.25 -0.62 117.16 117.07 3ca6 n TYR 139 Ca 0.00 0.56 -0.17 0.00 -0.00 0.00 0.00 57.90 58.30 3ca6 n TYR 139 Cb 0.00 -2.36 -0.07 0.00 -0.00 0.00 0.00 39.34 36.90 3ca6 n TYR 139 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 3ca6 n LYS 140 N 2.17 -1.17 -2.06 2.98 5.02 -1.26 -1.94 118.16 121.89 3ca6 n LYS 140 Ca 0.15 1.09 -0.18 0.00 -2.02 0.00 0.00 58.31 57.35 3ca6 n LYS 140 Cb 0.26 -5.30 -0.04 0.00 -0.02 0.00 0.00 35.03 29.93 3ca6 n LYS 140 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3ca6 n GLU 141 N -2.49 -1.67 -2.21 1.97 -0.58 0.20 -5.00 120.64 110.86 3ca6 n GLU 141 Ca -0.17 0.97 -0.26 0.00 -0.42 0.00 0.00 57.16 57.28 3ca6 n GLU 141 Cb 0.55 -5.49 0.08 0.00 -0.57 0.00 0.00 31.44 26.01 3ca6 n GLU 141 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 3ca6 s MET 142 N -4.44 2.04 -0.07 3.49 -1.94 -0.82 -4.61 119.30 112.95 3ca6 s MET 142 Ca 0.00 -0.33 0.01 0.00 -1.71 0.00 0.00 55.69 53.66 3ca6 s MET 142 Cb 0.00 -2.16 -0.03 0.00 2.01 0.00 0.00 34.83 34.65 3ca6 s MET 142 CO 0.00 -1.34 -0.08 0.00 -0.01 0.00 0.00 175.02 173.59 3ca6 s LEU 144 N -0.70 4.41 -0.01 0.00 2.96 0.05 -1.31 118.68 124.08 3ca6 s LEU 144 Ca 0.11 2.43 0.01 0.00 -0.22 0.00 0.00 54.13 56.46 3ca6 s LEU 144 Cb -0.11 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.97 3ca6 s LEU 144 CO 0.01 -0.55 -0.04 -1.58 -1.32 0.00 0.00 176.35 172.87 3ca6 s GLN 145 N -0.16 0.44 0.60 1.98 0.74 0.54 -4.48 119.66 119.33 3ca6 s GLN 145 Ca 0.57 -0.14 -0.06 0.00 0.05 0.00 0.00 55.36 55.78 3ca6 s GLN 145 Cb -0.37 -0.46 0.01 0.00 1.10 0.00 0.00 33.01 33.29 3ca6 s GLN 145 CO 0.39 0.06 0.92 -1.54 -0.55 0.00 0.00 175.29 174.56 3ca6 s SER 146 N 0.14 5.59 0.00 6.67 1.04 -0.22 -1.76 113.70 125.15 3ca6 s SER 146 Ca -0.01 0.75 0.13 0.00 0.48 0.00 0.00 55.95 57.30 3ca6 s SER 146 Cb -0.05 -1.73 0.22 0.00 0.10 0.00 0.00 66.02 64.56 3ca6 s SER 146 CO -0.00 -1.08 1.06 0.59 0.98 0.00 0.00 173.24 174.78 3ca6 n ASN 147 N -2.61 0.19 0.00 7.02 4.13 -1.26 -4.83 115.26 117.90 3ca6 n ASN 147 Ca 0.05 -1.94 0.00 0.00 1.68 0.00 0.00 54.58 54.37 3ca6 n ASN 147 Cb 0.57 -0.08 0.00 0.00 -1.54 0.00 0.00 39.78 38.74 3ca6 n ASN 147 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ca6 n GLY 148 N 0.26 2.23 3.73 7.41 0.00 -1.26 -4.73 105.19 112.82 3ca6 n GLY 148 Ca -0.06 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 3ca6 n GLY 148 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ca6 n GLU 149 N 1.97 2.38 -0.42 1.61 2.13 -1.26 -1.84 120.64 125.21 3ca6 n GLU 149 Ca 0.00 0.84 0.00 0.00 0.66 0.00 0.00 57.16 58.66 3ca6 n GLU 149 Cb 0.00 -2.50 0.00 0.00 0.27 0.00 0.00 31.44 29.21 3ca6 n GLU 149 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3ca6 n ASN 150 N 0.90 0.00 -4.96 4.31 4.13 0.96 -4.99 115.26 115.61 3ca6 n ASN 150 Ca 0.04 0.00 -0.22 0.00 1.68 0.00 0.00 54.58 56.08 3ca6 n ASN 150 Cb 0.37 -0.79 -0.01 0.00 -1.54 0.00 0.00 39.78 37.81 3ca6 n ASN 150 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 3ca6 s ASN 151 N -2.90 6.21 0.77 6.41 3.84 -0.77 -4.77 114.94 123.73 3ca6 s ASN 151 Ca 0.00 0.23 -0.13 0.00 0.21 0.00 0.00 52.86 53.17 3ca6 s ASN 151 Cb 0.00 -1.82 0.06 0.00 -0.55 0.00 0.00 41.25 38.94 3ca6 s ASN 151 CO 0.00 -0.29 1.16 -0.83 -2.79 0.00 0.00 177.10 174.35 3ca6 s GLY 152 N -4.06 2.06 0.30 1.21 0.00 -1.26 -1.30 107.32 104.27 3ca6 s GLY 152 Ca 0.40 0.67 -0.03 0.00 0.00 0.00 0.00 44.72 45.75 3ca6 s GLY 152 CO 0.33 1.06 0.55 -1.34 0.00 0.00 0.00 173.10 173.71 3ca6 s VAL 153 N -2.33 5.05 0.33 1.40 -7.23 -0.95 -4.07 120.40 112.60 3ca6 s VAL 153 Ca 0.69 -0.07 -0.18 0.00 -1.81 0.00 0.00 61.98 60.61 3ca6 s VAL 153 Cb -0.24 -3.76 0.04 0.00 0.56 0.00 0.00 36.38 32.97 3ca6 s VAL 153 CO 0.49 -0.38 0.74 -1.66 -0.31 0.00 0.00 175.10 173.99 3ca6 s TRP 154 N -2.14 -0.02 0.21 2.82 -2.14 -0.72 -3.83 118.94 113.11 3ca6 s TRP 154 Ca 0.43 -0.54 -0.13 0.00 2.66 0.00 0.00 56.10 58.52 3ca6 s TRP 154 Cb -0.10 0.75 -0.07 0.00 -3.10 0.00 0.00 33.47 30.94 3ca6 s TRP 154 CO 0.32 -1.39 0.59 -1.64 -2.66 0.00 0.00 176.95 172.17 3ca6 s MET 155 N -3.16 3.94 -0.06 3.25 -1.94 -1.26 -0.34 119.30 119.73 3ca6 s MET 155 Ca 0.14 0.47 -0.28 0.00 -1.71 0.00 0.00 55.69 54.31 3ca6 s MET 155 Cb -0.05 -2.75 0.06 0.00 2.01 0.00 0.00 34.83 34.10 3ca6 s MET 155 CO 0.09 0.37 0.63 -1.21 -0.01 0.00 0.00 175.02 174.89 3ca6 s GLU 156 N -2.41 0.98 0.21 2.03 0.41 -0.42 -4.94 118.70 114.55 3ca6 s GLU 156 Ca 0.44 0.26 -0.31 0.00 -0.41 0.00 0.00 54.97 54.94 3ca6 s GLU 156 Cb -0.13 0.46 -0.15 0.00 -1.78 0.00 0.00 34.13 32.53 3ca6 s GLU 156 CO 0.20 -0.29 1.16 -0.25 -0.49 0.00 0.00 175.26 175.59 3ca6 n ASP 157 N 1.11 1.54 -4.74 -0.19 8.00 -1.26 -0.84 116.55 120.18 3ca6 n ASP 157 Ca -0.19 1.15 -0.41 0.00 0.71 0.00 0.00 54.79 56.05 3ca6 n ASP 157 Cb 0.57 -1.26 -0.03 0.00 -0.02 0.00 0.00 41.12 40.38 3ca6 n ASP 157 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ca6 s GLU 159 N -0.28 0.64 0.48 0.00 2.02 -1.26 -5.02 118.70 115.28 3ca6 s GLU 159 Ca 0.58 0.06 0.15 0.00 0.02 0.00 0.00 54.97 55.77 3ca6 s GLU 159 Cb -0.39 -0.91 1.16 0.00 0.10 0.00 0.00 34.13 34.09 3ca6 s GLU 159 CO 0.41 -0.24 2.09 0.00 0.02 0.00 0.00 175.26 177.53 3ca6 h ALA 160 N 7.99 2.00 -0.02 5.21 0.00 -2.02 -2.02 119.26 130.39 3ca6 h ALA 160 Ca -0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3ca6 h ALA 160 Cb 1.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3ca6 h ALA 160 CO 0.32 -0.04 0.00 0.25 0.00 0.00 0.00 179.25 179.79 3ca6 n THR 161 N -4.49 0.01 -2.75 0.00 -2.24 -1.26 -4.80 114.28 98.74 3ca6 n THR 161 Ca 0.02 -0.21 -0.43 0.00 -2.27 0.00 0.00 64.05 61.16 3ca6 n THR 161 Cb 0.18 0.32 -0.04 0.00 -2.10 0.00 0.00 70.33 68.70 3ca6 n THR 161 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3ca6 s SER 162 N -1.99 6.33 0.38 3.42 0.15 -0.76 -4.90 113.70 116.33 3ca6 s SER 162 Ca 0.39 -0.32 0.13 0.00 0.70 0.00 0.00 55.95 56.86 3ca6 s SER 162 Cb 0.21 -2.47 0.75 0.00 -1.71 0.00 0.00 66.02 62.80 3ca6 s SER 162 CO 0.34 -1.36 1.84 -0.07 1.20 0.00 0.00 173.24 175.18 3ca6 h LEU 163 N 11.41 0.00 0.00 3.45 3.38 -1.88 -2.43 115.31 129.25 3ca6 h LEU 163 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3ca6 h LEU 163 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3ca6 h LEU 163 CO 1.14 0.36 0.00 0.00 0.09 0.00 0.00 178.44 180.02 3ca6 n GLN 164 N -4.08 0.46 -0.21 1.13 6.02 -1.26 -1.64 117.38 117.81 3ca6 n GLN 164 Ca -0.02 0.05 0.11 0.00 -0.01 0.00 0.00 57.00 57.13 3ca6 n GLN 164 Cb 0.40 -1.50 0.26 0.00 1.02 0.00 0.00 30.24 30.42 3ca6 n GLN 164 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3ca6 n GLN 165 N -1.11 2.30 -3.93 -1.09 6.02 -0.91 -1.06 117.38 117.59 3ca6 n GLN 165 Ca 0.12 -1.99 -0.35 0.00 -0.01 0.00 0.00 57.00 54.77 3ca6 n GLN 165 Cb 0.10 -1.47 -0.12 0.00 1.02 0.00 0.00 30.24 29.77 3ca6 n GLN 165 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3ca6 s GLN 166 N -1.46 3.74 -0.07 -1.09 -0.21 -0.65 -4.30 119.66 115.62 3ca6 s GLN 166 Ca 0.38 -0.45 0.05 0.00 0.02 0.00 0.00 55.36 55.36 3ca6 s GLN 166 Cb 0.21 -3.23 -0.01 0.00 1.00 0.00 0.00 33.01 30.99 3ca6 s GLN 166 CO 0.29 0.01 -0.24 -1.58 -2.12 0.00 0.00 175.29 171.65 3ca6 s TRP 167 N 1.07 2.38 -0.29 0.91 0.52 -0.27 -1.74 118.94 121.52 3ca6 s TRP 167 Ca 0.04 -0.80 -0.17 0.00 0.02 0.00 0.00 56.10 55.18 3ca6 s TRP 167 Cb -0.14 -1.57 -0.02 0.00 -1.15 0.00 0.00 33.47 30.58 3ca6 s TRP 167 CO 0.03 -0.28 0.49 0.00 0.02 0.00 0.00 176.95 177.21 3ca6 s ALA 168 N 0.04 3.56 -0.67 0.98 0.00 0.07 -1.05 121.76 124.67 3ca6 s ALA 168 Ca -0.09 -0.75 -0.19 0.00 0.00 0.00 0.00 51.96 50.93 3ca6 s ALA 168 Cb -0.15 -2.89 0.11 0.00 0.00 0.00 0.00 23.12 20.20 3ca6 s ALA 168 CO 0.05 -0.85 0.81 -0.51 0.00 0.00 0.00 175.76 175.26 3ca6 s LEU 169 N 2.29 5.34 0.53 0.00 1.43 0.95 -1.02 118.68 128.19 3ca6 s LEU 169 Ca 0.19 -1.59 -0.12 0.00 -1.03 0.00 0.00 54.13 51.58 3ca6 s LEU 169 Cb -0.16 -2.32 -0.06 0.00 0.03 0.00 0.00 46.19 43.68 3ca6 s LEU 169 CO 0.10 -1.10 0.93 -0.31 0.23 0.00 0.00 176.35 176.21 3ca6 s TYR 170 N 2.63 3.53 0.45 0.29 1.51 -0.92 -2.72 117.35 122.12 3ca6 s TYR 170 Ca 0.17 1.24 0.28 0.00 -1.01 0.00 0.00 57.07 57.75 3ca6 s TYR 170 Cb -0.19 -2.64 1.52 0.00 -0.11 0.00 0.00 41.96 40.55 3ca6 s TYR 170 CO 0.03 -0.42 2.11 0.78 -1.11 0.00 0.00 175.55 176.94 3ca6 h GLY 171 N 0.47 0.00 0.43 0.71 0.00 -1.85 -1.25 103.07 101.58 3ca6 h GLY 171 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3ca6 h GLY 171 CO 0.62 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.25 3ca6 n ASP 172 N -3.68 0.00 -0.67 0.19 5.68 -1.23 -2.37 116.55 114.47 3ca6 n ASP 172 Ca -0.02 -1.32 -0.07 0.00 -0.50 0.00 0.00 54.79 52.88 3ca6 n ASP 172 Cb 0.21 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.17 3ca6 n ASP 172 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3ca6 n ARG 173 N -0.71 -0.53 -3.31 0.11 5.12 -0.47 -4.17 116.66 112.70 3ca6 n ARG 173 Ca 0.09 0.56 -0.25 0.00 -1.93 0.00 0.00 57.85 56.31 3ca6 n ARG 173 Cb 0.04 -4.40 -0.01 0.00 -1.16 0.00 0.00 32.46 26.92 3ca6 n ARG 173 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3ca6 s THR 174 N -2.31 5.08 -0.27 0.55 -4.23 -1.25 -1.23 115.64 111.97 3ca6 s THR 174 Ca 0.00 -0.30 0.01 0.00 -1.18 0.00 0.00 61.69 60.22 3ca6 s THR 174 Cb 0.00 -3.84 0.06 0.00 1.34 0.00 0.00 72.50 70.06 3ca6 s THR 174 CO 0.00 -0.53 -0.07 -0.63 -0.54 0.00 0.00 174.62 172.85 3ca6 s ILE 175 N -2.30 2.47 0.10 2.99 1.01 -1.26 -2.16 121.20 122.04 3ca6 s ILE 175 Ca 0.41 -1.55 0.07 0.00 0.00 0.00 0.00 60.65 59.58 3ca6 s ILE 175 Cb -0.10 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 3ca6 s ILE 175 CO 0.36 -0.06 -0.09 -0.13 0.00 0.00 0.00 174.94 175.01 3ca6 s ARG 176 N 1.16 2.16 -0.08 2.79 0.52 -0.19 -0.88 118.95 124.43 3ca6 s ARG 176 Ca -0.08 -1.00 -0.29 0.00 -0.52 0.00 0.00 55.73 53.84 3ca6 s ARG 176 Cb -0.20 -2.32 -0.06 0.00 0.52 0.00 0.00 34.95 32.89 3ca6 s ARG 176 CO -0.04 0.51 1.76 0.08 0.02 0.00 0.00 175.30 177.64 3ca6 s VAL 177 N -1.21 3.44 0.33 3.52 1.01 -0.81 -0.75 120.40 125.92 3ca6 s VAL 177 Ca 0.21 0.52 0.03 0.00 0.00 0.00 0.00 61.98 62.74 3ca6 s VAL 177 Cb -0.11 -3.37 0.16 0.00 0.00 0.00 0.00 36.38 33.06 3ca6 s VAL 177 CO 0.14 -0.09 1.87 -1.13 0.00 0.00 0.00 175.10 175.89 3ca6 h ASN 178 N 10.41 0.54 1.39 3.32 -1.24 -1.63 -2.10 115.58 126.28 3ca6 h ASN 178 Ca -0.41 -0.10 0.00 0.00 0.71 0.00 0.00 56.30 56.50 3ca6 h ASN 178 Cb 1.19 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 40.10 3ca6 h ASN 178 CO 0.96 0.60 0.00 0.28 -1.29 0.00 0.00 177.43 177.98 3ca6 h SER 179 N 0.56 0.00 -2.06 1.15 0.02 -1.85 -3.39 113.55 107.98 3ca6 h SER 179 Ca 0.12 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.54 3ca6 h SER 179 Cb 0.32 0.00 -0.36 0.00 0.14 0.00 0.00 62.40 62.50 3ca6 h SER 179 CO 0.01 0.00 -0.96 0.41 -1.14 0.00 0.00 176.83 175.15 3ca6 n THR 180 N -2.78 -0.94 1.33 -2.27 -1.04 -0.80 -5.01 114.28 102.77 3ca6 n THR 180 Ca 0.03 -3.33 0.12 0.00 -2.04 0.00 0.00 64.05 58.83 3ca6 n THR 180 Cb 0.39 -1.42 0.65 0.00 -1.82 0.00 0.00 70.33 68.14 3ca6 n THR 180 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3ca6 n ARG 181 N 2.40 0.59 0.00 -2.82 1.74 -1.14 -1.50 116.66 115.92 3ca6 n ARG 181 Ca 0.26 0.03 0.15 0.00 -0.77 0.00 0.00 57.85 57.51 3ca6 n ARG 181 Cb 0.51 -1.50 0.77 0.00 -1.02 0.00 0.00 32.46 31.22 3ca6 n ARG 181 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ca6 n GLY 182 N 0.53 -0.68 3.66 -0.13 0.00 -1.26 -4.84 105.19 102.46 3ca6 n GLY 182 Ca 0.15 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 3ca6 n GLY 182 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ca6 s LEU 183 N -2.07 3.32 0.25 0.99 1.43 -0.56 -0.81 118.68 121.24 3ca6 s LEU 183 Ca 0.42 -0.29 -0.16 0.00 -1.03 0.00 0.00 54.13 53.07 3ca6 s LEU 183 Cb 0.21 -2.05 0.01 0.00 0.03 0.00 0.00 46.19 44.40 3ca6 s LEU 183 CO 0.37 0.15 0.56 0.00 0.23 0.00 0.00 176.35 177.66 3ca6 s VAL 185 N -3.96 4.19 -0.02 0.00 1.01 -0.06 -1.55 120.40 120.00 3ca6 s VAL 185 Ca 0.16 1.53 0.00 0.00 0.00 0.00 0.00 61.98 63.68 3ca6 s VAL 185 Cb -0.02 -3.98 0.03 0.00 0.00 0.00 0.00 36.38 32.40 3ca6 s VAL 185 CO 0.06 0.01 0.01 -0.89 0.00 0.00 0.00 175.10 174.30 3ca6 s THR 186 N 2.08 0.06 0.09 3.92 2.01 0.12 -4.46 115.64 119.44 3ca6 s THR 186 Ca 0.57 0.15 -0.29 0.00 0.31 0.00 0.00 61.69 62.43 3ca6 s THR 186 Cb -0.26 -0.17 -0.06 0.00 0.01 0.00 0.00 72.50 72.03 3ca6 s THR 186 CO 0.23 0.11 0.92 0.28 -0.69 0.00 0.00 174.62 175.47 3ca6 s THR 187 N 1.02 4.58 -1.27 -0.82 -1.32 -0.41 -1.11 115.64 116.30 3ca6 s THR 187 Ca -0.09 1.97 -0.05 0.00 -1.21 0.00 0.00 61.69 62.31 3ca6 s THR 187 Cb -0.13 -4.28 0.15 0.00 -1.51 0.00 0.00 72.50 66.74 3ca6 s THR 187 CO -0.02 0.32 2.28 -3.20 -2.21 0.00 0.00 174.62 171.79 3ca6 n ASN 188 N 2.86 7.90 0.00 8.08 4.05 -0.02 -4.83 115.26 133.31 3ca6 n ASN 188 Ca 0.01 -3.23 0.00 0.00 0.45 0.00 0.00 54.58 51.81 3ca6 n ASN 188 Cb 0.50 -1.33 0.00 0.00 1.23 0.00 0.00 39.78 40.17 3ca6 n ASN 188 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3ca6 n GLY 189 N 1.44 2.68 0.67 8.20 0.00 -1.26 -4.47 105.19 112.44 3ca6 n GLY 189 Ca 0.60 -2.07 0.06 0.00 0.00 0.00 0.00 46.02 44.61 3ca6 n GLY 189 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ca6 n TYR 190 N -1.20 0.51 -4.00 1.61 4.01 -1.26 -4.90 117.16 111.93 3ca6 n TYR 190 Ca 0.00 -0.54 -0.27 0.00 -0.16 0.00 0.00 57.90 56.94 3ca6 n TYR 190 Cb 0.00 -0.06 -0.04 0.00 -0.31 0.00 0.00 39.34 38.93 3ca6 n TYR 190 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 3ca6 s ASN 191 N -1.09 6.00 0.29 7.72 0.01 -1.26 -4.75 114.94 121.86 3ca6 s ASN 191 Ca 0.25 0.06 -0.29 0.00 -0.71 0.00 0.00 52.86 52.17 3ca6 s ASN 191 Cb 0.14 -1.72 -0.14 0.00 0.41 0.00 0.00 41.25 39.94 3ca6 s ASN 191 CO 0.15 0.07 1.14 -0.24 -1.51 0.00 0.00 177.10 176.71 3ca6 n SER 192 N -0.37 1.88 0.00 -1.22 2.88 -1.26 -1.51 113.62 114.02 3ca6 n SER 192 Ca -0.07 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 3ca6 n SER 192 Cb 0.54 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 3ca6 n SER 192 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3ca6 n LYS 193 N 0.87 0.00 -2.13 -1.46 5.02 -0.18 -5.01 118.16 115.27 3ca6 n LYS 193 Ca 0.09 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 56.00 3ca6 n LYS 193 Cb 0.33 -2.48 -0.00 0.00 -0.02 0.00 0.00 35.03 32.85 3ca6 n LYS 193 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ca6 s ASP 194 N -2.93 6.10 0.29 4.39 -0.00 -0.57 -4.76 116.67 119.20 3ca6 s ASP 194 Ca 0.00 2.48 -0.17 0.00 -0.00 0.00 0.00 52.55 54.86 3ca6 s ASP 194 Cb 0.00 -2.62 -0.09 0.00 -0.00 0.00 0.00 42.92 40.21 3ca6 s ASP 194 CO 0.00 -0.98 0.74 -0.22 -0.00 0.00 0.00 175.17 174.70 3ca6 s LEU 195 N -2.89 4.15 -0.23 1.23 2.96 -1.26 -1.49 118.68 121.15 3ca6 s LEU 195 Ca 0.62 1.33 -0.11 0.00 -0.22 0.00 0.00 54.13 55.76 3ca6 s LEU 195 Cb -0.33 -3.93 -0.05 0.00 0.50 0.00 0.00 46.19 42.38 3ca6 s LEU 195 CO 0.41 -0.13 0.16 -0.63 -1.32 0.00 0.00 176.35 174.84 3ca6 s ILE 196 N -1.84 5.37 0.42 6.68 1.01 0.07 -0.84 121.20 132.07 3ca6 s ILE 196 Ca 0.51 0.19 0.04 0.00 0.00 0.00 0.00 60.65 61.40 3ca6 s ILE 196 Cb -0.12 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 3ca6 s ILE 196 CO 0.18 0.36 0.16 0.27 0.00 0.00 0.00 174.94 175.92 3ca6 s ILE 197 N 0.92 0.45 -0.18 2.92 -4.36 -0.27 -2.23 121.20 118.45 3ca6 s ILE 197 Ca 0.08 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.42 3ca6 s ILE 197 Cb -0.13 -2.30 -0.03 0.00 1.25 0.00 0.00 42.46 41.26 3ca6 s ILE 197 CO 0.03 0.00 -0.02 -0.63 0.24 0.00 0.00 174.94 174.57 3ca6 s ILE 198 N -3.19 3.94 0.08 8.37 -1.09 -0.42 -0.71 121.20 128.18 3ca6 s ILE 198 Ca 0.24 -0.33 0.02 0.00 -2.23 0.00 0.00 60.65 58.35 3ca6 s ILE 198 Cb 0.01 -2.76 -0.04 0.00 -1.58 0.00 0.00 42.46 38.10 3ca6 s ILE 198 CO 0.16 0.46 -0.07 -0.76 -1.23 0.00 0.00 174.94 173.50 3ca6 s LEU 199 N 0.71 2.44 0.23 2.97 1.43 -0.59 -0.03 118.68 125.83 3ca6 s LEU 199 Ca -0.01 -0.88 -0.31 0.00 -1.03 0.00 0.00 54.13 51.90 3ca6 s LEU 199 Cb -0.14 -0.09 -0.14 0.00 0.03 0.00 0.00 46.19 45.84 3ca6 s LEU 199 CO 0.02 -0.40 1.24 1.17 0.23 0.00 0.00 176.35 178.62 3ca6 n LYS 200 N 0.38 1.59 -2.32 1.70 4.81 -1.26 -1.27 118.16 121.79 3ca6 n LYS 200 Ca -0.15 0.56 -0.43 0.00 -0.87 0.00 0.00 58.31 57.43 3ca6 n LYS 200 Cb 0.59 -2.11 -0.02 0.00 0.02 0.00 0.00 35.03 33.51 3ca6 n LYS 200 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ca6 n GLN 202 N 6.59 1.82 -1.01 0.00 6.02 -1.26 -5.00 117.38 124.54 3ca6 n GLN 202 Ca 0.14 -1.47 -0.00 0.00 -0.01 0.00 0.00 57.00 55.66 3ca6 n GLN 202 Cb 0.44 -0.96 -0.00 0.00 1.02 0.00 0.00 30.24 30.74 3ca6 n GLN 202 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ca6 n GLY 203 N -0.55 0.47 3.88 1.08 0.00 -1.26 -4.95 105.19 103.87 3ca6 n GLY 203 Ca 0.03 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 3ca6 n GLY 203 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ca6 s LEU 204 N -0.05 3.14 0.56 0.99 1.43 -1.26 -1.84 118.68 121.65 3ca6 s LEU 204 Ca 0.00 1.19 0.29 0.00 -1.03 0.00 0.00 54.13 54.58 3ca6 s LEU 204 Cb 0.00 -4.11 1.66 0.00 0.03 0.00 0.00 46.19 43.77 3ca6 s LEU 204 CO 0.00 -1.04 2.16 -0.65 0.23 0.00 0.00 176.35 177.06 3ca6 h PRO 205 N -0.38 0.00 0.00 1.29 0.11 -1.84 -1.41 132.00 129.77 3ca6 h PRO 205 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3ca6 h PRO 205 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3ca6 h PRO 205 CO 0.63 0.06 0.00 -1.13 -0.21 0.00 0.00 178.00 177.35 3ca6 n SER 206 N -3.69 0.00 -0.23 -2.05 3.41 -1.26 -3.01 113.62 106.79 3ca6 n SER 206 Ca -0.02 0.09 0.02 0.00 -0.26 0.00 0.00 58.87 58.70 3ca6 n SER 206 Cb 0.16 -0.32 0.04 0.00 -0.26 0.00 0.00 64.21 63.84 3ca6 n SER 206 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ca6 n GLN 207 N -1.32 1.53 -3.87 4.33 6.02 -0.56 -1.29 117.38 122.22 3ca6 n GLN 207 Ca 0.08 -1.32 -0.36 0.00 -0.01 0.00 0.00 57.00 55.39 3ca6 n GLN 207 Cb 0.16 -1.10 -0.07 0.00 1.02 0.00 0.00 30.24 30.25 3ca6 n GLN 207 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3ca6 s ARG 208 N -0.74 3.62 0.02 -1.09 3.52 -1.16 -4.28 118.95 118.84 3ca6 s ARG 208 Ca 0.08 -0.17 -0.01 0.00 -0.13 0.00 0.00 55.73 55.50 3ca6 s ARG 208 Cb 0.05 -3.23 -0.02 0.00 -1.56 0.00 0.00 34.95 30.19 3ca6 s ARG 208 CO 0.06 0.65 -0.01 -1.58 -0.81 0.00 0.00 175.30 173.60 3ca6 s TRP 209 N -0.65 0.26 -0.08 5.12 0.52 -0.37 -4.14 118.94 119.59 3ca6 s TRP 209 Ca 0.13 -0.53 -0.00 0.00 0.02 0.00 0.00 56.10 55.72 3ca6 s TRP 209 Cb -0.12 -0.19 0.02 0.00 -1.15 0.00 0.00 33.47 32.04 3ca6 s TRP 209 CO 0.02 -0.21 -0.04 0.12 0.02 0.00 0.00 176.95 176.86 3ca6 s PHE 210 N -1.62 1.06 -0.65 -1.98 5.99 0.44 -4.75 117.98 116.47 3ca6 s PHE 210 Ca -0.14 -0.43 -0.23 0.00 0.00 0.00 0.00 56.93 56.13 3ca6 s PHE 210 Cb -0.09 -0.98 0.07 0.00 0.00 0.00 0.00 43.02 42.03 3ca6 s PHE 210 CO -0.01 -0.38 0.96 -0.06 -0.00 0.00 0.00 175.22 175.72 3ca6 s PHE 211 N 1.66 2.69 0.72 10.12 0.40 -1.26 -0.52 117.98 131.79 3ca6 s PHE 211 Ca 0.02 -0.52 -0.04 0.00 -0.60 0.00 0.00 56.93 55.79 3ca6 s PHE 211 Cb -0.13 -4.26 0.10 0.00 0.51 0.00 0.00 43.02 39.24 3ca6 s PHE 211 CO -0.05 -1.62 1.01 0.54 0.70 0.00 0.00 175.22 175.79 3ca6 s ASN 212 N 3.61 4.50 0.24 1.36 2.20 -0.79 -4.98 114.94 121.08 3ca6 s ASN 212 Ca 0.22 0.05 0.24 0.00 -0.94 0.00 0.00 52.86 52.44 3ca6 s ASN 212 Cb -0.17 -0.56 0.94 0.00 -2.00 0.00 0.00 41.25 39.46 3ca6 s ASN 212 CO 0.11 -1.77 1.73 -1.54 -2.94 0.00 0.00 177.10 172.69 3ca6 n SER 213 N -2.90 0.70 -0.42 3.54 3.41 -1.26 -2.25 113.62 114.44 3ca6 n SER 213 Ca 0.11 0.64 0.12 0.00 -0.26 0.00 0.00 58.87 59.48 3ca6 n SER 213 Cb 0.60 -0.80 0.49 0.00 -0.26 0.00 0.00 64.21 64.24 3ca6 n SER 213 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3ca6 n ASP 214 N -2.24 1.27 0.00 4.04 8.00 -1.26 -4.92 116.55 121.44 3ca6 n ASP 214 Ca 0.03 -1.55 0.00 0.00 0.71 0.00 0.00 54.79 53.98 3ca6 n ASP 214 Cb 0.28 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 3ca6 n ASP 214 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ca6 n GLY 215 N 1.09 0.52 3.93 0.44 0.00 -0.95 -4.91 105.19 105.31 3ca6 n GLY 215 Ca 0.17 -0.33 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 3ca6 n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ca6 s ALA 216 N -2.00 3.68 -0.32 4.61 0.00 -1.26 -0.85 121.76 125.62 3ca6 s ALA 216 Ca 0.00 -0.76 -0.03 0.00 0.00 0.00 0.00 51.96 51.17 3ca6 s ALA 216 Cb 0.00 -2.18 0.05 0.00 0.00 0.00 0.00 23.12 20.99 3ca6 s ALA 216 CO 0.00 0.13 0.04 0.42 0.00 0.00 0.00 175.76 176.35 3ca6 s ILE 217 N -2.18 3.26 -0.12 0.00 1.01 -1.26 -1.89 121.20 120.01 3ca6 s ILE 217 Ca 0.41 -1.34 -0.04 0.00 0.00 0.00 0.00 60.65 59.68 3ca6 s ILE 217 Cb -0.10 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 3ca6 s ILE 217 CO 0.33 -0.16 0.04 -0.69 0.00 0.00 0.00 174.94 174.46 3ca6 s VAL 218 N 1.29 4.59 -0.46 2.92 1.01 0.32 -0.96 120.40 129.11 3ca6 s VAL 218 Ca -0.03 -0.13 -0.19 0.00 0.00 0.00 0.00 61.98 61.62 3ca6 s VAL 218 Cb -0.20 -2.99 0.04 0.00 0.00 0.00 0.00 36.38 33.23 3ca6 s VAL 218 CO -0.00 0.56 0.60 0.21 0.00 0.00 0.00 175.10 176.47 3ca6 s ASN 219 N -0.46 6.26 0.26 3.32 3.84 0.31 -0.42 114.94 128.04 3ca6 s ASN 219 Ca 0.09 -0.64 -0.05 0.00 0.21 0.00 0.00 52.86 52.47 3ca6 s ASN 219 Cb -0.12 -2.29 0.31 0.00 -0.55 0.00 0.00 41.25 38.60 3ca6 s ASN 219 CO 0.02 -0.79 1.91 -0.65 -2.79 0.00 0.00 177.10 174.80 3ca6 h PRO 220 N 8.90 1.26 0.25 0.43 0.11 -1.86 -0.71 132.00 140.38 3ca6 h PRO 220 Ca -0.26 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 65.76 3ca6 h PRO 220 Cb 1.10 -0.28 0.00 0.00 0.11 0.00 0.00 31.00 31.93 3ca6 h PRO 220 CO 0.90 0.83 -0.12 -0.22 -0.21 0.00 0.00 178.00 179.19 3ca6 h LYS 221 N 1.30 -0.32 0.00 1.05 1.63 -1.84 -2.96 116.57 115.43 3ca6 h LYS 221 Ca 0.39 0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 60.16 3ca6 h LYS 221 Cb -0.04 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.65 3ca6 h LYS 221 CO -0.11 -0.17 -0.28 0.66 -3.45 0.00 0.00 179.45 176.10 3ca6 h SER 222 N -0.39 0.00 0.00 4.20 4.64 -1.80 -3.47 113.55 116.73 3ca6 h SER 222 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3ca6 h SER 222 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3ca6 h SER 222 CO 0.06 0.28 0.00 0.54 -0.87 0.00 0.00 176.83 176.83 3ca6 n ARG 223 N -3.32 0.00 -2.80 4.77 1.74 -0.29 -5.03 116.66 111.73 3ca6 n ARG 223 Ca 0.01 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.85 3ca6 n ARG 223 Cb 0.52 -2.03 0.02 0.00 -1.02 0.00 0.00 32.46 29.94 3ca6 n ARG 223 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3ca6 s LEU 224 N 0.00 3.53 0.18 0.55 1.43 -1.23 -4.74 118.68 118.40 3ca6 s LEU 224 Ca 0.00 0.45 0.08 0.00 -1.03 0.00 0.00 54.13 53.63 3ca6 s LEU 224 Cb 0.00 -3.32 -0.04 0.00 0.03 0.00 0.00 46.19 42.86 3ca6 s LEU 224 CO 0.00 -0.79 -0.16 0.68 0.23 0.00 0.00 176.35 176.30 3ca6 s VAL 225 N -2.69 1.77 0.36 -1.59 -7.23 -0.14 -0.53 120.40 110.35 3ca6 s VAL 225 Ca 0.50 -2.04 -0.28 0.00 -1.81 0.00 0.00 61.98 58.35 3ca6 s VAL 225 Cb -0.10 -1.91 -0.11 0.00 0.56 0.00 0.00 36.38 34.82 3ca6 s VAL 225 CO 0.40 -0.44 1.50 -0.04 -0.31 0.00 0.00 175.10 176.22 3ca6 s MET 226 N -3.15 4.11 -0.15 4.82 -1.94 -0.14 -1.34 119.30 121.52 3ca6 s MET 226 Ca 0.18 2.57 -0.08 0.00 -1.71 0.00 0.00 55.69 56.65 3ca6 s MET 226 Cb -0.04 -2.98 0.06 0.00 2.01 0.00 0.00 34.83 33.88 3ca6 s MET 226 CO 0.07 -0.55 0.37 0.34 -0.01 0.00 0.00 175.02 175.24 3ca6 s ASP 227 N -0.04 -0.46 -0.50 3.03 2.15 0.05 -4.49 116.67 116.41 3ca6 s ASP 227 Ca 0.54 0.81 -0.29 0.00 0.43 0.00 0.00 52.55 54.04 3ca6 s ASP 227 Cb -0.47 0.69 0.03 0.00 -0.30 0.00 0.00 42.92 42.87 3ca6 s ASP 227 CO 0.61 -0.19 1.19 -0.69 -0.17 0.00 0.00 175.17 175.93 3ca6 s VAL 228 N 1.36 4.10 0.17 1.11 1.01 -0.12 -0.99 120.40 127.05 3ca6 s VAL 228 Ca -0.09 1.08 -0.34 0.00 0.00 0.00 0.00 61.98 62.63 3ca6 s VAL 228 Cb -0.09 -4.59 -0.14 0.00 0.00 0.00 0.00 36.38 31.56 3ca6 s VAL 228 CO -0.12 -1.09 1.56 -1.14 0.00 0.00 0.00 175.10 174.31 3ca6 n ARG 229 N 8.07 2.13 -1.37 2.72 0.63 -0.81 -1.28 116.66 126.76 3ca6 n ARG 229 Ca 0.12 0.77 -0.14 0.00 -0.92 0.00 0.00 57.85 57.67 3ca6 n ARG 229 Cb 0.49 -2.52 -0.06 0.00 0.45 0.00 0.00 32.46 30.82 3ca6 n ARG 229 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3ca6 n ALA 230 N 3.22 -0.21 -3.77 5.13 0.00 -1.26 -1.38 120.51 122.24 3ca6 n ALA 230 Ca 0.16 0.22 -0.29 0.00 0.00 0.00 0.00 53.44 53.54 3ca6 n ALA 230 Cb 0.29 -1.69 0.01 0.00 0.00 0.00 0.00 19.45 18.06 3ca6 n ALA 230 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3ca6 n SER 231 N -0.91 -4.43 -3.81 0.00 7.64 -0.41 -4.94 113.62 106.77 3ca6 n SER 231 Ca -0.14 -0.68 -0.30 0.00 1.01 0.00 0.00 58.87 58.76 3ca6 n SER 231 Cb 0.55 -3.58 -0.15 0.00 -1.01 0.00 0.00 64.21 60.03 3ca6 n SER 231 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3ca6 s ASN 232 N -3.11 4.19 0.48 6.43 3.84 -0.48 -4.97 114.94 121.32 3ca6 s ASN 232 Ca 0.59 -1.88 0.26 0.00 0.21 0.00 0.00 52.86 52.04 3ca6 s ASN 232 Cb -0.30 -1.09 1.14 0.00 -0.55 0.00 0.00 41.25 40.45 3ca6 s ASN 232 CO 0.73 -0.39 1.92 -0.37 -2.79 0.00 0.00 177.10 176.20 3ca6 h VAL 233 N 6.40 0.52 0.00 -5.21 -1.51 -1.92 -2.40 116.25 112.14 3ca6 h VAL 233 Ca -0.10 -0.89 -0.03 0.00 -1.23 0.00 0.00 66.70 64.46 3ca6 h VAL 233 Cb 1.01 1.60 -0.00 0.00 -2.13 0.00 0.00 31.29 31.77 3ca6 h VAL 233 CO 0.49 0.17 -0.13 0.28 -1.23 0.00 0.00 177.57 177.15 3ca6 h SER 234 N 0.00 0.00 0.37 4.19 0.02 -1.94 -2.30 113.55 113.89 3ca6 h SER 234 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3ca6 h SER 234 Cb 0.59 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 3ca6 h SER 234 CO 0.02 0.13 -0.11 -0.07 -1.14 0.00 0.00 176.83 175.67 3ca6 h LEU 235 N 0.00 0.00 -1.55 5.07 3.38 -1.78 -3.46 115.31 116.97 3ca6 h LEU 235 Ca -0.00 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.56 3ca6 h LEU 235 Cb 0.38 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.19 3ca6 h LEU 235 CO 0.02 0.11 -0.80 0.54 0.09 0.00 0.00 178.44 178.40 3ca6 n ARG 236 N -3.61 -5.57 -3.85 1.13 1.74 -0.87 -4.99 116.66 100.65 3ca6 n ARG 236 Ca -0.02 0.68 -0.18 0.00 -0.77 0.00 0.00 57.85 57.56 3ca6 n ARG 236 Cb 0.23 -5.41 -0.17 0.00 -1.02 0.00 0.00 32.46 26.09 3ca6 n ARG 236 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3ca6 s GLU 237 N -6.00 0.22 -0.12 5.56 2.02 -1.26 -4.76 118.70 114.37 3ca6 s GLU 237 Ca 0.16 0.14 0.03 0.00 0.02 0.00 0.00 54.97 55.32 3ca6 s GLU 237 Cb -0.08 -0.50 0.00 0.00 0.10 0.00 0.00 34.13 33.66 3ca6 s GLU 237 CO 0.79 -0.19 -0.22 0.42 0.02 0.00 0.00 175.26 176.08 3ca6 s ILE 238 N 1.31 2.14 0.42 -1.63 1.01 -1.25 -1.92 121.20 121.28 3ca6 s ILE 238 Ca -0.06 -0.98 0.07 0.00 0.00 0.00 0.00 60.65 59.68 3ca6 s ILE 238 Cb -0.13 -1.84 -0.07 0.00 0.01 0.00 0.00 42.46 40.43 3ca6 s ILE 238 CO -0.02 0.55 0.04 0.27 0.00 0.00 0.00 174.94 175.78 3ca6 s ILE 239 N 0.49 2.00 0.11 2.92 -4.36 -0.16 -0.75 121.20 121.46 3ca6 s ILE 239 Ca -0.15 -1.95 -0.09 0.00 -0.26 0.00 0.00 60.65 58.20 3ca6 s ILE 239 Cb -0.17 -2.95 -0.06 0.00 1.25 0.00 0.00 42.46 40.53 3ca6 s ILE 239 CO 0.05 0.00 0.43 0.27 0.24 0.00 0.00 174.94 175.93 3ca6 s ILE 240 N -2.70 5.07 0.01 8.37 -4.36 -0.56 -0.77 121.20 126.26 3ca6 s ILE 240 Ca 0.34 0.42 -0.28 0.00 -0.26 0.00 0.00 60.65 60.88 3ca6 s ILE 240 Cb 0.09 -3.65 0.07 0.00 1.25 0.00 0.00 42.46 40.21 3ca6 s ILE 240 CO 0.18 0.20 0.63 0.12 0.24 0.00 0.00 174.94 176.31 3ca6 s PHE 241 N -1.49 -0.59 0.41 1.37 5.36 -0.45 -1.01 117.98 121.58 3ca6 s PHE 241 Ca 0.36 0.84 -0.25 0.00 -0.96 0.00 0.00 56.93 56.92 3ca6 s PHE 241 Cb -0.13 0.42 -0.11 0.00 -0.34 0.00 0.00 43.02 42.86 3ca6 s PHE 241 CO 0.20 -0.66 1.16 -2.30 -1.46 0.00 0.00 175.22 172.16 3ca6 n PRO 242 N 0.58 1.69 -1.79 10.12 -0.02 -1.26 -0.97 135.00 143.34 3ca6 n PRO 242 Ca -0.19 0.60 -0.42 0.00 -2.02 0.00 0.00 63.50 61.47 3ca6 n PRO 242 Cb 0.59 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.83 3ca6 n PRO 242 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ca6 s ALA 243 N -1.21 3.69 -0.07 3.55 0.00 -1.26 -4.83 121.76 121.63 3ca6 s ALA 243 Ca 0.61 1.31 0.04 0.00 0.00 0.00 0.00 51.96 53.92 3ca6 s ALA 243 Cb -0.54 -3.76 -0.05 0.00 0.00 0.00 0.00 23.12 18.76 3ca6 s ALA 243 CO 0.58 -1.27 0.11 0.25 0.00 0.00 0.00 175.76 175.43 3ca6 n THR 244 N 4.96 0.00 -0.92 0.00 -2.24 -1.26 -5.01 114.28 109.81 3ca6 n THR 244 Ca 0.18 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3ca6 n THR 244 Cb 0.40 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 3ca6 n THR 244 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ca6 n GLY 245 N 1.83 0.54 3.80 3.38 0.00 -1.26 -5.02 105.19 108.46 3ca6 n GLY 245 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3ca6 n GLY 245 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ca6 s ASN 246 N -2.39 4.59 0.49 1.61 0.01 -1.26 -4.89 114.94 113.11 3ca6 s ASN 246 Ca 0.00 1.42 0.19 0.00 -0.71 0.00 0.00 52.86 53.76 3ca6 s ASN 246 Cb 0.00 -2.18 1.22 0.00 0.41 0.00 0.00 41.25 40.70 3ca6 s ASN 246 CO 0.00 -1.92 2.02 -0.65 -1.51 0.00 0.00 177.10 175.04 3ca6 h PRO 247 N -1.05 0.17 0.00 -0.60 0.11 -1.97 -0.89 132.00 127.76 3ca6 h PRO 247 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3ca6 h PRO 247 Cb 1.25 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3ca6 h PRO 247 CO 0.58 0.11 0.00 0.27 -0.21 0.00 0.00 178.00 178.75 3ca6 n ASN 248 N -4.45 0.00 0.00 -2.05 6.94 -1.26 -2.66 115.26 111.78 3ca6 n ASN 248 Ca 0.07 -1.07 0.00 0.00 -0.02 0.00 0.00 54.58 53.56 3ca6 n ASN 248 Cb 0.42 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.84 3ca6 n ASN 248 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ca6 n GLN 249 N -0.83 2.16 -3.73 -3.83 6.02 -0.34 -0.94 117.38 115.88 3ca6 n GLN 249 Ca 0.13 -1.23 -0.36 0.00 -0.01 0.00 0.00 57.00 55.53 3ca6 n GLN 249 Cb 0.06 -0.90 -0.06 0.00 1.02 0.00 0.00 30.24 30.36 3ca6 n GLN 249 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3ca6 s GLN 250 N -0.74 3.63 -0.01 -1.09 -0.21 -1.09 -4.25 119.66 115.90 3ca6 s GLN 250 Ca 0.00 0.04 -0.12 0.00 0.02 0.00 0.00 55.36 55.29 3ca6 s GLN 250 Cb 0.00 -3.14 0.02 0.00 1.00 0.00 0.00 33.01 30.88 3ca6 s GLN 250 CO 0.00 0.69 0.25 -1.58 -2.12 0.00 0.00 175.29 172.54 3ca6 s TRP 251 N -1.17 -0.11 -0.03 0.91 0.52 -0.03 -3.89 118.94 115.14 3ca6 s TRP 251 Ca 0.23 0.13 0.00 0.00 0.02 0.00 0.00 56.10 56.49 3ca6 s TRP 251 Cb -0.14 0.05 0.03 0.00 -1.15 0.00 0.00 33.47 32.26 3ca6 s TRP 251 CO 0.12 -0.35 0.00 0.08 0.02 0.00 0.00 176.95 176.82 3ca6 s VAL 252 N -1.33 0.17 0.21 4.03 1.01 0.54 -4.69 120.40 120.34 3ca6 s VAL 252 Ca -0.14 0.10 -0.23 0.00 0.00 0.00 0.00 61.98 61.71 3ca6 s VAL 252 Cb -0.06 -0.28 -0.08 0.00 0.00 0.00 0.00 36.38 35.96 3ca6 s VAL 252 CO 0.03 0.15 0.77 0.42 0.00 0.00 0.00 175.10 176.48 3ca6 s THR 253 N 1.09 4.44 -0.13 3.92 -4.23 -1.26 -1.11 115.64 118.37 3ca6 s THR 253 Ca -0.09 1.52 0.00 0.00 -1.18 0.00 0.00 61.69 61.95 3ca6 s THR 253 Cb -0.13 -3.99 0.02 0.00 1.34 0.00 0.00 72.50 69.74 3ca6 s THR 253 CO -0.02 0.32 -0.11 -1.58 -0.54 0.00 0.00 174.62 172.69 3ca6 s GLN 254 N -1.66 1.89 0.41 3.99 0.74 -0.09 -4.98 119.66 119.97 3ca6 s GLN 254 Ca 0.41 -0.40 -0.25 0.00 0.05 0.00 0.00 55.36 55.17 3ca6 s GLN 254 Cb -0.19 -1.81 -0.08 0.00 1.10 0.00 0.00 33.01 32.02 3ca6 s GLN 254 CO 0.23 -0.23 1.20 0.08 -0.55 0.00 0.00 175.29 176.02 3ca6 s VAL 255 N 1.53 3.03 0.10 1.34 1.01 -1.26 -0.24 120.40 125.92 3ca6 s VAL 255 Ca 0.03 0.86 0.02 0.00 0.00 0.00 0.00 61.98 62.90 3ca6 s VAL 255 Cb -0.13 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 3ca6 s VAL 255 CO -0.08 0.08 0.20 -0.76 0.00 0.00 0.00 175.10 174.54 3ca6 s LEU 256 N -2.56 4.20 0.00 3.92 1.43 -0.78 -4.81 118.68 120.08 3ca6 s LEU 256 Ca 0.58 0.15 0.22 0.00 -1.03 0.00 0.00 54.13 54.05 3ca6 s LEU 256 Cb -0.32 -2.81 1.33 0.00 0.03 0.00 0.00 46.19 44.42 3ca6 s LEU 256 CO 0.40 0.12 1.70 -0.81 0.23 0.00 0.00 176.35 177.99