#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3he6 s THR 9 N 0.00 5.27 -0.27 -0.72 2.01 -1.26 -1.70 115.64 118.97 3he6 s THR 9 Ca 0.00 0.15 -0.10 0.00 0.31 0.00 0.00 61.69 62.05 3he6 s THR 9 Cb 0.00 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 3he6 s THR 9 CO 0.00 0.30 0.15 0.12 -0.69 0.00 0.00 174.62 174.50 3he6 s PHE 10 N 1.43 3.17 -0.07 4.92 5.36 -0.81 -1.33 117.98 130.66 3he6 s PHE 10 Ca 0.07 -0.09 0.01 0.00 -0.96 0.00 0.00 56.93 55.96 3he6 s PHE 10 Cb -0.15 -2.33 0.02 0.00 -0.34 0.00 0.00 43.02 40.22 3he6 s PHE 10 CO 0.08 -0.24 -0.09 -0.98 -1.46 0.00 0.00 175.22 172.52 3he6 s ARG 11 N 1.71 1.46 -0.18 10.12 1.70 0.03 -1.80 118.95 131.99 3he6 s ARG 11 Ca 0.07 -0.30 -0.17 0.00 -0.47 0.00 0.00 55.73 54.85 3he6 s ARG 11 Cb -0.16 -1.32 -0.04 0.00 -0.57 0.00 0.00 34.95 32.86 3he6 s ARG 11 CO 0.08 -0.07 0.45 0.00 -1.08 0.00 0.00 175.30 174.68 3he6 s LEU 13 N 1.24 2.03 -0.13 0.00 1.43 -0.25 -0.95 118.68 122.04 3he6 s LEU 13 Ca 0.22 -0.60 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 3he6 s LEU 13 Cb -0.15 -1.40 -0.02 0.00 0.03 0.00 0.00 46.19 44.65 3he6 s LEU 13 CO 0.09 0.01 -0.12 -1.58 0.23 0.00 0.00 176.35 174.98 3he6 s GLN 14 N 1.20 3.42 -0.22 1.70 0.74 0.88 -1.43 119.66 125.96 3he6 s GLN 14 Ca 0.02 -0.66 -0.01 0.00 0.05 0.00 0.00 55.36 54.76 3he6 s GLN 14 Cb -0.14 -2.67 0.02 0.00 1.10 0.00 0.00 33.01 31.32 3he6 s GLN 14 CO -0.10 0.21 -0.11 -1.64 -0.55 0.00 0.00 175.29 173.10 3he6 s MET 15 N 0.36 2.94 -0.12 1.67 -1.94 0.16 -1.70 119.30 120.67 3he6 s MET 15 Ca -0.10 -0.89 0.01 0.00 -1.71 0.00 0.00 55.69 53.00 3he6 s MET 15 Cb -0.16 -2.82 0.02 0.00 2.01 0.00 0.00 34.83 33.88 3he6 s MET 15 CO 0.05 -0.31 -0.13 -1.12 -0.01 0.00 0.00 175.02 173.51 3he6 s SER 16 N 1.32 2.40 -0.12 3.03 0.01 -0.23 -0.18 113.70 119.92 3he6 s SER 16 Ca 0.02 -0.41 -0.00 0.00 1.31 0.00 0.00 55.95 56.87 3he6 s SER 16 Cb -0.15 -1.04 -0.02 0.00 0.21 0.00 0.00 66.02 65.02 3he6 s SER 16 CO -0.08 -0.03 -0.12 -0.44 0.41 0.00 0.00 173.24 172.99 3he6 s SER 17 N 1.25 4.16 -0.29 2.44 0.01 0.42 -0.52 113.70 121.17 3he6 s SER 17 Ca -0.02 -0.27 0.02 0.00 1.31 0.00 0.00 55.95 56.99 3he6 s SER 17 Cb -0.14 -1.56 0.08 0.00 0.21 0.00 0.00 66.02 64.61 3he6 s SER 17 CO -0.05 0.19 -0.02 -0.36 0.41 0.00 0.00 173.24 173.41 3he6 s PHE 18 N 0.22 3.06 -0.04 2.43 0.40 0.16 -1.68 117.98 122.53 3he6 s PHE 18 Ca -0.07 -2.36 -0.16 0.00 -0.60 0.00 0.00 56.93 53.73 3he6 s PHE 18 Cb -0.15 -2.17 -0.32 0.00 0.51 0.00 0.00 43.02 40.89 3he6 s PHE 18 CO 0.05 -0.88 0.79 0.00 0.70 0.00 0.00 175.22 175.88 3he6 h ALA 19 N 7.79 0.00 -2.78 5.36 0.00 -1.71 0.46 119.26 128.38 3he6 h ALA 19 Ca -0.13 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 53.85 3he6 h ALA 19 Cb 1.04 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3he6 h ALA 19 CO 0.47 0.71 0.00 0.27 0.00 0.00 0.00 179.25 180.70 3he6 n ASN 20 N -3.85 0.00 -0.30 0.00 0.23 -1.20 -4.03 115.26 106.11 3he6 n ASN 20 Ca -0.20 -0.28 -0.01 0.00 -0.53 0.00 0.00 54.58 53.57 3he6 n ASN 20 Cb 0.98 0.00 0.18 0.00 -2.08 0.00 0.00 39.78 38.85 3he6 n ASN 20 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 3he6 h ARG 21 N 0.00 1.16 0.00 -3.83 2.43 -2.01 -3.34 114.38 108.79 3he6 h ARG 21 Ca 0.00 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.01 3he6 h ARG 21 Cb 0.00 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.27 3he6 h ARG 21 CO 0.00 0.77 -1.67 -1.13 -1.51 0.00 0.00 179.97 176.43 3he6 n SER 22 N -4.40 2.10 -4.59 -3.80 3.41 -1.26 -4.95 113.62 100.12 3he6 n SER 22 Ca 0.10 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.36 3he6 n SER 22 Cb 0.02 1.26 -0.10 0.00 -0.26 0.00 0.00 64.21 65.13 3he6 n SER 22 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 3he6 s TRP 23 N -2.64 3.22 0.06 7.33 -0.00 -1.26 -5.08 118.94 120.57 3he6 s TRP 23 Ca -0.05 -0.02 -0.23 0.00 -0.00 0.00 0.00 56.10 55.80 3he6 s TRP 23 Cb 0.06 -2.16 0.06 0.00 -0.00 0.00 0.00 33.47 31.43 3he6 s TRP 23 CO 0.51 0.01 0.55 -1.54 -0.00 0.00 0.00 176.95 176.48 3he6 s SER 24 N 0.82 -0.49 0.02 5.86 1.04 -1.26 -2.29 113.70 117.40 3he6 s SER 24 Ca 0.04 0.18 -0.06 0.00 0.48 0.00 0.00 55.95 56.59 3he6 s SER 24 Cb -0.13 0.52 -0.00 0.00 0.10 0.00 0.00 66.02 66.50 3he6 s SER 24 CO 0.02 -0.77 0.11 0.00 0.98 0.00 0.00 173.24 173.58 3he6 s ARG 25 N -2.66 0.50 -0.03 4.02 1.70 -0.68 -5.02 118.95 116.79 3he6 s ARG 25 Ca -0.04 -0.54 0.01 0.00 -0.47 0.00 0.00 55.73 54.69 3he6 s ARG 25 Cb -0.00 0.20 0.02 0.00 -0.57 0.00 0.00 34.95 34.60 3he6 s ARG 25 CO -0.03 -0.12 -0.03 -0.08 -1.08 0.00 0.00 175.30 173.95 3he6 s THR 26 N -1.79 0.40 0.01 4.99 -1.32 -1.26 -0.44 115.64 116.23 3he6 s THR 26 Ca -0.12 -0.08 0.03 0.00 -1.21 0.00 0.00 61.69 60.31 3he6 s THR 26 Cb -0.06 -0.43 -0.01 0.00 -1.51 0.00 0.00 72.50 70.49 3he6 s THR 26 CO -0.01 0.18 -0.10 -1.81 -2.21 0.00 0.00 174.62 170.67 3he6 s ASP 27 N 0.72 1.19 0.10 8.08 1.01 0.75 -2.72 116.67 125.80 3he6 s ASP 27 Ca -0.09 -0.30 -0.07 0.00 0.71 0.00 0.00 52.55 52.81 3he6 s ASP 27 Cb -0.12 -0.09 -0.01 0.00 1.01 0.00 0.00 42.92 43.71 3he6 s ASP 27 CO -0.00 0.04 0.17 -0.94 0.21 0.00 0.00 175.17 174.65 3he6 s SER 28 N -0.66 0.18 0.03 0.27 1.04 -0.48 0.38 113.70 114.46 3he6 s SER 28 Ca 0.01 -0.81 -0.04 0.00 0.48 0.00 0.00 55.95 55.59 3he6 s SER 28 Cb -0.06 0.34 -0.01 0.00 0.10 0.00 0.00 66.02 66.39 3he6 s SER 28 CO 0.00 -0.75 0.06 0.68 0.98 0.00 0.00 173.24 174.22 3he6 s VAL 29 N -3.91 0.13 -0.10 5.02 -7.23 -0.52 -0.67 120.40 113.13 3he6 s VAL 29 Ca 0.10 -1.07 0.03 0.00 -1.81 0.00 0.00 61.98 59.23 3he6 s VAL 29 Cb 0.05 -0.76 0.01 0.00 0.56 0.00 0.00 36.38 36.24 3he6 s VAL 29 CO -0.07 -0.59 -0.19 -0.69 -0.31 0.00 0.00 175.10 173.25 3he6 s VAL 30 N -2.33 1.72 -0.18 1.32 1.01 -0.50 -1.09 120.40 120.34 3he6 s VAL 30 Ca -0.07 -0.81 -0.00 0.00 0.00 0.00 0.00 61.98 61.09 3he6 s VAL 30 Cb -0.03 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 34.84 3he6 s VAL 30 CO -0.03 0.48 -0.15 0.26 0.00 0.00 0.00 175.10 175.66 3he6 s TRP 31 N 0.58 2.82 -0.35 5.22 0.52 0.01 -0.10 118.94 127.65 3he6 s TRP 31 Ca -0.15 -1.32 -0.12 0.00 0.02 0.00 0.00 56.10 54.54 3he6 s TRP 31 Cb -0.17 -1.96 0.00 0.00 -1.15 0.00 0.00 33.47 30.20 3he6 s TRP 31 CO 0.05 -0.66 0.22 -1.17 0.02 0.00 0.00 176.95 175.41 3he6 s LEU 32 N 1.22 4.58 0.00 2.99 2.96 0.02 -0.79 118.68 129.67 3he6 s LEU 32 Ca 0.03 -0.67 0.00 0.00 -0.22 0.00 0.00 54.13 53.27 3he6 s LEU 32 Cb -0.14 -2.08 0.00 0.00 0.50 0.00 0.00 46.19 44.47 3he6 s LEU 32 CO -0.07 -0.30 0.00 0.61 -1.32 0.00 0.00 176.35 175.27 3he6 n GLY 33 N 5.06 3.30 1.11 7.98 0.00 -0.44 -1.86 105.19 120.34 3he6 n GLY 33 Ca -0.12 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 45.84 3he6 n GLY 33 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3he6 n ASP 34 N 6.83 4.14 -4.62 1.61 5.75 -1.26 -4.88 116.55 124.11 3he6 n ASP 34 Ca 0.00 -2.73 -0.34 0.00 -0.01 0.00 0.00 54.79 51.70 3he6 n ASP 34 Cb 0.00 -0.52 -0.10 0.00 -1.03 0.00 0.00 41.12 39.47 3he6 n ASP 34 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3he6 s LEU 35 N -2.33 3.68 -0.21 -2.12 1.43 -0.78 -5.07 118.68 113.27 3he6 s LEU 35 Ca 0.42 0.06 -0.27 0.00 -1.03 0.00 0.00 54.13 53.32 3he6 s LEU 35 Cb 0.31 -1.90 -0.00 0.00 0.03 0.00 0.00 46.19 44.63 3he6 s LEU 35 CO 0.14 0.22 0.92 -1.58 0.23 0.00 0.00 176.35 176.28 3he6 s GLN 36 N 0.08 4.25 -0.20 1.70 0.74 -1.26 -0.79 119.66 124.18 3he6 s GLN 36 Ca 0.04 1.15 0.06 0.00 0.05 0.00 0.00 55.36 56.65 3he6 s GLN 36 Cb -0.13 -3.62 -0.16 0.00 1.10 0.00 0.00 33.01 30.20 3he6 s GLN 36 CO 0.01 -0.51 -0.11 0.25 -0.55 0.00 0.00 175.29 174.39 3he6 n THR 37 N 5.13 1.22 -4.18 -0.34 -2.24 0.86 -4.39 114.28 110.33 3he6 n THR 37 Ca 0.08 -0.56 -0.11 0.00 -2.27 0.00 0.00 64.05 61.19 3he6 n THR 37 Cb 0.47 -1.03 -0.10 0.00 -2.10 0.00 0.00 70.33 67.57 3he6 n THR 37 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3he6 s HIS 38 N -2.43 0.94 -0.01 4.78 3.76 -1.19 -0.27 115.29 120.87 3he6 s HIS 38 Ca -0.22 -0.87 -0.02 0.00 -0.15 0.00 0.00 55.06 53.80 3he6 s HIS 38 Cb 0.07 -0.53 -0.00 0.00 1.11 0.00 0.00 32.58 33.23 3he6 s HIS 38 CO 0.57 -0.11 0.04 -0.98 -0.85 0.00 0.00 174.74 173.40 3he6 s ARG 39 N -3.70 0.15 -0.24 1.40 1.70 -0.30 -1.41 118.95 116.54 3he6 s ARG 39 Ca 0.11 -0.11 -0.04 0.00 -0.47 0.00 0.00 55.73 55.22 3he6 s ARG 39 Cb 0.04 0.06 0.09 0.00 -0.57 0.00 0.00 34.95 34.57 3he6 s ARG 39 CO -0.04 -0.02 0.13 -0.46 -1.08 0.00 0.00 175.30 173.83 3he6 s TRP 40 N -0.40 0.16 0.17 5.89 -0.00 0.16 -0.86 118.94 124.05 3he6 s TRP 40 Ca -0.05 -0.51 -0.11 0.00 -0.00 0.00 0.00 56.10 55.43 3he6 s TRP 40 Cb -0.03 -0.74 -0.07 0.00 -0.00 0.00 0.00 33.47 32.63 3he6 s TRP 40 CO -0.00 -0.69 0.51 0.45 -0.00 0.00 0.00 176.95 177.22 3he6 s SER 41 N 2.15 6.70 0.30 5.86 0.15 -1.26 -1.38 113.70 126.22 3he6 s SER 41 Ca 0.06 0.94 0.03 0.00 0.70 0.00 0.00 55.95 57.68 3he6 s SER 41 Cb -0.16 -2.23 0.62 0.00 -1.71 0.00 0.00 66.02 62.54 3he6 s SER 41 CO -0.24 0.04 1.84 -1.13 1.20 0.00 0.00 173.24 174.96 3he6 h ASN 42 N 3.15 0.86 -0.03 5.45 -1.24 -1.92 -0.15 115.58 121.70 3he6 h ASN 42 Ca -0.48 0.05 0.01 0.00 0.71 0.00 0.00 56.30 56.59 3he6 h ASN 42 Cb 1.18 -0.12 -0.00 0.00 0.73 0.00 0.00 38.32 40.11 3he6 h ASN 42 CO 0.68 0.44 0.17 0.44 -1.29 0.00 0.00 177.43 177.87 3he6 h ASP 43 N 0.92 0.00 -3.40 1.15 5.19 -1.94 -3.44 116.42 114.90 3he6 h ASP 43 Ca 0.49 0.00 -0.66 0.00 -0.62 0.00 0.00 57.03 56.24 3he6 h ASP 43 Cb 0.57 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 39.94 3he6 h ASP 43 CO -0.26 0.00 -0.66 -0.55 -3.12 0.00 0.00 179.24 174.65 3he6 s SER 44 N -4.96 5.01 0.07 6.45 0.15 -0.07 -5.04 113.70 115.31 3he6 s SER 44 Ca -0.04 -0.08 -0.15 0.00 0.70 0.00 0.00 55.95 56.38 3he6 s SER 44 Cb 0.12 -1.26 -0.24 0.00 -1.71 0.00 0.00 66.02 62.93 3he6 s SER 44 CO 0.38 0.25 1.17 0.00 1.20 0.00 0.00 173.24 176.24 3he6 h ALA 45 N 4.13 0.10 -2.09 5.45 0.00 -1.85 -3.44 119.26 121.56 3he6 h ALA 45 Ca -0.48 -0.70 -0.57 0.00 0.00 0.00 0.00 54.91 53.16 3he6 h ALA 45 Cb 1.17 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.92 3he6 h ALA 45 CO 0.57 0.65 -0.64 0.95 0.00 0.00 0.00 179.25 180.79 3he6 s THR 46 N -3.26 3.04 0.01 0.00 -4.23 -1.26 -4.95 115.64 104.99 3he6 s THR 46 Ca -0.10 -1.98 -0.30 0.00 -1.18 0.00 0.00 61.69 58.13 3he6 s THR 46 Cb 0.06 -2.77 -0.04 0.00 1.34 0.00 0.00 72.50 71.10 3he6 s THR 46 CO 0.92 -0.31 1.06 -0.63 -0.54 0.00 0.00 174.62 175.12 3he6 s ILE 47 N -2.41 4.56 -0.10 2.99 1.01 -1.26 -4.71 121.20 121.28 3he6 s ILE 47 Ca 0.33 1.84 -0.12 0.00 0.00 0.00 0.00 60.65 62.70 3he6 s ILE 47 Cb -0.04 -4.18 -0.05 0.00 0.01 0.00 0.00 42.46 38.20 3he6 s ILE 47 CO 0.19 0.13 0.28 -0.44 0.00 0.00 0.00 174.94 175.09 3he6 s SER 48 N 1.06 6.54 0.32 3.58 0.01 -0.04 -4.98 113.70 120.18 3he6 s SER 48 Ca 0.54 0.64 -0.26 0.00 1.31 0.00 0.00 55.95 58.17 3he6 s SER 48 Cb -0.24 -2.16 -0.10 0.00 0.21 0.00 0.00 66.02 63.73 3he6 s SER 48 CO 0.27 0.28 0.97 -0.36 0.41 0.00 0.00 173.24 174.81 3he6 s PHE 49 N -0.53 3.66 -0.80 2.43 0.40 -1.26 -1.15 117.98 120.72 3he6 s PHE 49 Ca 0.18 1.78 0.07 0.00 -0.60 0.00 0.00 56.93 58.36 3he6 s PHE 49 Cb -0.14 -2.98 0.04 0.00 0.51 0.00 0.00 43.02 40.45 3he6 s PHE 49 CO 0.07 0.08 0.65 0.25 0.70 0.00 0.00 175.22 176.97 3he6 n THR 50 N 0.61 0.00 -4.36 0.64 -2.24 0.62 -4.86 114.28 104.70 3he6 n THR 50 Ca 0.02 -0.47 -0.25 0.00 -2.27 0.00 0.00 64.05 61.08 3he6 n THR 50 Cb 0.49 1.12 -0.13 0.00 -2.10 0.00 0.00 70.33 69.72 3he6 n THR 50 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3he6 s LYS 51 N -0.78 1.20 0.51 -0.78 3.01 -1.24 -4.92 119.74 116.73 3he6 s LYS 51 Ca 0.07 -1.14 0.34 0.00 -1.01 0.00 0.00 55.97 54.23 3he6 s LYS 51 Cb 0.06 -1.47 1.80 0.00 -1.01 0.00 0.00 37.83 37.21 3he6 s LYS 51 CO 0.12 0.35 2.04 -1.35 0.51 0.00 0.00 175.35 177.02 3he6 h PRO 52 N 4.20 0.00 -0.32 -1.68 0.11 -1.95 -2.73 132.00 129.63 3he6 h PRO 52 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3he6 h PRO 52 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3he6 h PRO 52 CO 0.40 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.52 3he6 n TRP 53 N -2.72 0.50 0.32 0.65 4.27 -1.26 -4.72 117.44 114.48 3he6 n TRP 53 Ca -0.02 -0.55 0.18 0.00 -3.89 0.00 0.00 57.50 53.22 3he6 n TRP 53 Cb 0.08 -0.07 0.96 0.00 -1.36 0.00 0.00 31.31 30.93 3he6 n TRP 53 CO 0.00 0.00 0.00 0.77 -2.29 0.00 0.00 177.69 176.17 3he6 h SER 54 N 1.89 0.00 1.34 -0.67 0.02 -1.79 0.31 113.55 114.64 3he6 h SER 54 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3he6 h SER 54 Cb 0.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.35 3he6 h SER 54 CO 0.03 0.00 0.00 -0.61 -1.14 0.00 0.00 176.83 175.11 3he6 h GLN 55 N 0.00 0.00 0.00 3.45 4.15 -1.85 -3.49 115.11 117.37 3he6 h GLN 55 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.44 3he6 h GLN 55 Cb 0.42 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.11 3he6 h GLN 55 CO -0.00 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.31 3he6 n GLY 56 N 0.91 2.16 0.00 2.39 0.00 0.10 -2.84 105.19 107.90 3he6 n GLY 56 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3he6 n GLY 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3he6 n LYS 57 N 5.93 1.64 -2.15 1.61 4.76 -1.26 -4.78 118.16 123.91 3he6 n LYS 57 Ca 0.00 -1.06 -0.34 0.00 -2.87 0.00 0.00 58.31 54.05 3he6 n LYS 57 Cb 0.00 -0.84 0.01 0.00 -1.84 0.00 0.00 35.03 32.35 3he6 n LYS 57 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3he6 s LEU 58 N -0.58 3.62 0.29 -0.35 1.43 -1.13 -5.06 118.68 116.90 3he6 s LEU 58 Ca 0.00 1.96 0.03 0.00 -1.03 0.00 0.00 54.13 55.09 3he6 s LEU 58 Cb 0.00 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.63 3he6 s LEU 58 CO 0.00 -1.18 0.45 -0.94 0.23 0.00 0.00 176.35 174.91 3he6 s SER 59 N -2.32 6.31 0.57 2.29 1.04 -1.26 -4.88 113.70 115.45 3he6 s SER 59 Ca 0.67 0.27 0.33 0.00 0.48 0.00 0.00 55.95 57.70 3he6 s SER 59 Cb -0.19 -1.95 1.44 0.00 0.10 0.00 0.00 66.02 65.42 3he6 s SER 59 CO 0.31 -0.18 1.74 0.78 0.98 0.00 0.00 173.24 176.88 3he6 h ASN 60 N 1.00 0.00 0.08 7.02 2.35 -2.00 0.23 115.58 124.26 3he6 h ASN 60 Ca -0.51 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.24 3he6 h ASN 60 Cb 1.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.59 3he6 h ASN 60 CO 0.61 0.00 -0.04 1.56 -1.65 0.00 0.00 177.43 177.92 3he6 h GLN 61 N 0.00 -0.10 -0.66 0.81 7.50 -2.00 -3.21 115.11 117.45 3he6 h GLN 61 Ca 0.46 0.01 0.12 0.00 0.50 0.00 0.00 58.65 59.74 3he6 h GLN 61 Cb 2.10 0.02 -0.09 0.00 0.05 0.00 0.00 27.48 29.56 3he6 h GLN 61 CO -0.00 0.31 0.18 1.96 -1.50 0.00 0.00 178.83 179.78 3he6 h GLN 62 N -0.97 0.31 -0.37 1.46 4.20 -0.97 -1.85 115.11 116.93 3he6 h GLN 62 Ca -0.01 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 3he6 h GLN 62 Cb 0.46 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 3he6 h GLN 62 CO 0.02 0.20 0.03 2.35 -0.67 0.00 0.00 178.83 180.77 3he6 h TRP 63 N 0.32 0.68 -0.81 2.96 2.91 -1.44 -2.36 115.95 118.21 3he6 h TRP 63 Ca 0.35 -0.10 0.11 0.00 1.13 0.00 0.00 58.89 60.37 3he6 h TRP 63 Cb 0.53 -0.18 -0.08 0.00 -0.51 0.00 0.00 29.16 28.92 3he6 h TRP 63 CO -0.22 0.70 0.44 0.93 -1.03 0.00 0.00 178.44 179.25 3he6 h GLU 64 N 0.46 0.69 -0.40 2.65 4.39 -1.35 0.46 114.58 121.48 3he6 h GLU 64 Ca 0.11 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.73 3he6 h GLU 64 Cb 0.41 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 3he6 h GLU 64 CO 0.01 0.45 0.10 -0.22 -1.16 0.00 0.00 179.01 178.20 3he6 h LYS 65 N 0.71 0.63 -0.09 2.33 3.64 -1.32 -0.88 116.57 121.58 3he6 h LYS 65 Ca 0.40 -0.15 -0.09 0.00 -1.27 0.00 0.00 60.65 59.54 3he6 h LYS 65 Cb 0.44 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 3he6 h LYS 65 CO -0.28 0.65 -0.35 1.25 -2.27 0.00 0.00 179.45 178.45 3he6 h LEU 66 N 0.50 0.19 0.06 5.20 5.85 -0.75 -1.84 115.31 124.53 3he6 h LEU 66 Ca 0.13 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 3he6 h LEU 66 Cb 0.30 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3he6 h LEU 66 CO 0.00 0.54 -0.03 -0.61 -0.34 0.00 0.00 178.44 178.00 3he6 h GLN 67 N 0.17 -0.08 -0.82 1.25 4.15 0.10 -2.52 115.11 117.36 3he6 h GLN 67 Ca 0.02 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.49 3he6 h GLN 67 Cb 0.71 0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.37 3he6 h GLN 67 CO 0.05 0.33 0.52 1.25 -1.93 0.00 0.00 178.83 179.05 3he6 h HIS 68 N -0.51 0.97 -0.55 3.99 2.76 -1.08 0.22 115.15 120.95 3he6 h HIS 68 Ca -0.01 0.03 0.11 0.00 -2.20 0.00 0.00 60.37 58.30 3he6 h HIS 68 Cb 0.44 -0.32 -0.10 0.00 1.55 0.00 0.00 27.41 28.99 3he6 h HIS 68 CO 0.07 0.54 -0.08 1.98 -1.30 0.00 0.00 177.93 179.13 3he6 h MET 69 N 0.99 0.04 -0.42 5.26 1.85 -1.32 -1.03 114.93 120.30 3he6 h MET 69 Ca 0.34 -0.00 -0.11 0.00 -0.61 0.00 0.00 59.70 59.32 3he6 h MET 69 Cb 0.06 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.06 3he6 h MET 69 CO -0.13 0.03 -0.15 0.74 -0.40 0.00 0.00 176.91 177.00 3he6 h PHE 70 N 0.04 0.96 -0.75 1.39 0.04 -0.68 -2.68 116.94 115.26 3he6 h PHE 70 Ca 0.27 -0.22 0.10 0.00 2.80 0.00 0.00 57.97 60.92 3he6 h PHE 70 Cb 0.43 -0.23 -0.07 0.00 2.20 0.00 0.00 35.95 38.28 3he6 h PHE 70 CO -0.41 0.98 0.39 1.96 -0.60 0.00 0.00 178.31 180.63 3he6 h GLN 71 N 0.66 0.64 -0.08 1.51 4.20 0.15 -0.76 115.11 121.43 3he6 h GLN 71 Ca 0.10 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 3he6 h GLN 71 Cb 0.70 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.33 3he6 h GLN 71 CO 0.05 0.42 -0.02 0.28 -0.67 0.00 0.00 178.83 178.89 3he6 h VAL 72 N 0.66 1.30 -0.65 -0.54 2.07 -1.25 -3.21 116.25 114.63 3he6 h VAL 72 Ca 0.37 -0.95 0.10 0.00 0.82 0.00 0.00 66.70 67.04 3he6 h VAL 72 Cb 0.38 1.78 -0.12 0.00 -1.52 0.00 0.00 31.29 31.81 3he6 h VAL 72 CO -0.27 0.26 -0.41 0.22 0.02 0.00 0.00 177.57 177.40 3he6 h TYR 73 N -0.19 -1.17 -0.88 1.57 3.20 -1.00 0.10 116.97 118.59 3he6 h TYR 73 Ca 0.02 0.08 0.07 0.00 3.14 0.00 0.00 58.73 62.04 3he6 h TYR 73 Cb 0.43 0.61 -0.07 0.00 1.54 0.00 0.00 36.73 39.24 3he6 h TYR 73 CO 0.05 -0.41 0.55 -0.09 -1.64 0.00 0.00 178.16 176.62 3he6 h ARG 74 N -0.17 0.95 -0.28 1.82 2.43 -1.22 0.90 114.38 118.82 3he6 h ARG 74 Ca 0.21 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 3he6 h ARG 74 Cb 0.56 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 3he6 h ARG 74 CO -0.73 0.63 0.01 0.28 -1.51 0.00 0.00 179.97 178.65 3he6 h VAL 75 N 0.98 1.25 -0.28 0.20 2.07 -1.40 -3.02 116.25 116.05 3he6 h VAL 75 Ca 0.39 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 3he6 h VAL 75 Cb 0.21 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 3he6 h VAL 75 CO -0.19 0.29 0.08 0.28 0.02 0.00 0.00 177.57 178.05 3he6 h SER 76 N 0.27 0.42 -0.85 0.57 0.02 0.13 -2.76 113.55 111.37 3he6 h SER 76 Ca 0.08 -0.22 0.09 0.00 -0.84 0.00 0.00 61.79 60.90 3he6 h SER 76 Cb 0.41 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.78 3he6 h SER 76 CO 0.01 0.53 0.55 0.15 -1.14 0.00 0.00 176.83 176.93 3he6 h PHE 77 N 0.29 0.90 0.32 3.45 3.04 0.66 -1.80 116.94 123.80 3he6 h PHE 77 Ca 0.09 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.05 3he6 h PHE 77 Cb 0.26 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 38.48 3he6 h PHE 77 CO 0.01 0.43 -0.15 1.15 -2.02 0.00 0.00 178.31 177.73 3he6 h THR 78 N 0.85 0.71 -0.28 4.41 2.02 -1.36 -2.62 112.91 116.64 3he6 h THR 78 Ca 0.38 -0.35 -0.09 0.00 0.77 0.00 0.00 66.41 67.12 3he6 h THR 78 Cb 0.37 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 3he6 h THR 78 CO -0.15 0.07 -0.22 -0.09 0.37 0.00 0.00 175.52 175.49 3he6 h ARG 79 N -0.62 0.52 -0.28 6.66 2.43 -1.30 -2.85 114.38 118.95 3he6 h ARG 79 Ca -0.04 -0.19 0.03 0.00 -0.81 0.00 0.00 59.98 58.97 3he6 h ARG 79 Cb 0.44 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 3he6 h ARG 79 CO 0.07 0.71 0.08 -0.44 -1.51 0.00 0.00 179.97 178.89 3he6 h ASP 80 N 0.46 0.08 -0.24 -3.80 5.19 -1.29 -0.82 116.42 116.00 3he6 h ASP 80 Ca 0.07 0.03 -0.16 0.00 -0.62 0.00 0.00 57.03 56.35 3he6 h ASP 80 Cb 0.65 0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.18 3he6 h ASP 80 CO 0.05 0.08 -0.46 0.40 -3.12 0.00 0.00 179.24 176.19 3he6 h ILE 81 N 0.20 1.28 -0.94 0.35 2.04 -1.35 0.62 117.51 119.70 3he6 h ILE 81 Ca 0.12 -1.65 -0.01 0.00 1.00 0.00 0.00 64.86 64.33 3he6 h ILE 81 Cb 0.10 1.54 -0.05 0.00 -0.74 0.00 0.00 36.82 37.67 3he6 h ILE 81 CO -0.14 0.54 0.56 1.56 0.00 0.00 0.00 178.15 180.67 3he6 h GLN 82 N 0.64 1.28 -0.18 2.37 4.20 -1.32 -0.29 115.11 121.80 3he6 h GLN 82 Ca 0.04 -0.12 -0.11 0.00 0.06 0.00 0.00 58.65 58.52 3he6 h GLN 82 Cb 1.04 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 28.55 3he6 h GLN 82 CO 0.10 0.90 -0.31 0.93 -0.67 0.00 0.00 178.83 179.78 3he6 h GLU 83 N 1.30 0.53 -0.98 1.46 4.39 -0.56 -2.73 114.58 117.99 3he6 h GLU 83 Ca 0.34 -0.33 0.15 0.00 0.34 0.00 0.00 59.36 59.86 3he6 h GLU 83 Cb -0.04 0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 28.55 3he6 h GLU 83 CO -0.06 0.93 0.62 -0.07 -1.16 0.00 0.00 179.01 179.26 3he6 h LEU 84 N 0.18 0.81 -0.77 1.33 3.38 0.60 -1.04 115.31 119.80 3he6 h LEU 84 Ca 0.01 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 3he6 h LEU 84 Cb 0.89 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 3he6 h LEU 84 CO 0.07 0.37 0.04 0.58 0.09 0.00 0.00 178.44 179.59 3he6 h VAL 85 N 0.83 1.26 0.00 1.22 2.07 -0.99 0.16 116.25 120.79 3he6 h VAL 85 Ca 0.52 -1.05 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 3he6 h VAL 85 Cb 0.72 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3he6 h VAL 85 CO -0.29 0.38 -0.23 0.11 0.02 0.00 0.00 177.57 177.56 3he6 h LYS 86 N 0.91 0.00 0.02 1.57 1.57 -0.91 -2.97 116.57 116.76 3he6 h LYS 86 Ca 0.17 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.89 3he6 h LYS 86 Cb 0.47 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.79 3he6 h LYS 86 CO 0.02 0.23 -0.25 1.98 -0.57 0.00 0.00 179.45 180.86 3he6 h MET 87 N 0.00 0.13 -4.36 3.15 4.05 -0.79 -3.39 114.93 113.71 3he6 h MET 87 Ca -0.00 -0.17 -0.76 0.00 -0.28 0.00 0.00 59.70 58.49 3he6 h MET 87 Cb 0.45 0.06 -0.21 0.00 -0.80 0.00 0.00 31.60 31.09 3he6 h MET 87 CO 0.03 0.99 1.00 -1.64 0.23 0.00 0.00 176.91 177.53 3he6 s MET 88 N -2.71 4.09 -0.51 0.39 -1.94 0.50 -5.11 119.30 114.01 3he6 s MET 88 Ca -0.17 -2.74 -0.27 0.00 -1.71 0.00 0.00 55.69 50.80 3he6 s MET 88 Cb -0.01 -4.88 0.03 0.00 2.01 0.00 0.00 34.83 31.99 3he6 s MET 88 CO 0.74 -1.59 1.06 0.45 -0.01 0.00 0.00 175.02 175.67 3he6 s SER 89 N 2.37 6.49 0.00 3.03 0.15 -1.25 -4.80 113.70 119.70 3he6 s SER 89 Ca 0.38 0.13 0.00 0.00 0.70 0.00 0.00 55.95 57.15 3he6 s SER 89 Cb -0.05 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 3he6 s SER 89 CO -0.03 -1.25 0.00 -1.22 1.20 0.00 0.00 173.24 171.94 3he6 n TYR 94 N 7.73 0.00 -2.37 3.44 4.01 -1.26 -5.14 117.16 123.58 3he6 n TYR 94 Ca 0.08 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.47 3he6 n TYR 94 Cb 0.49 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.50 3he6 n TYR 94 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3he6 s PRO 95 N -4.98 3.53 -0.04 -0.72 0.04 -1.26 -5.03 135.00 126.54 3he6 s PRO 95 Ca 0.00 1.50 0.03 0.00 0.04 0.00 0.00 61.00 62.57 3he6 s PRO 95 Cb 0.00 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.50 3he6 s PRO 95 CO 0.00 -0.68 -0.13 0.42 0.04 0.00 0.00 177.00 176.66 3he6 s ILE 96 N -1.88 1.10 -0.11 0.56 -1.09 0.16 -5.01 121.20 114.93 3he6 s ILE 96 Ca 0.70 -0.51 0.02 0.00 -2.23 0.00 0.00 60.65 58.64 3he6 s ILE 96 Cb -0.21 -0.97 -0.01 0.00 -1.58 0.00 0.00 42.46 39.69 3he6 s ILE 96 CO 0.24 0.33 -0.19 -1.61 -1.23 0.00 0.00 174.94 172.49 3he6 s GLU 97 N 0.30 3.15 -0.01 2.79 0.41 -1.26 0.39 118.70 124.47 3he6 s GLU 97 Ca -0.07 -0.79 0.08 0.00 -0.41 0.00 0.00 54.97 53.78 3he6 s GLU 97 Cb -0.12 -2.44 -0.02 0.00 -1.78 0.00 0.00 34.13 29.76 3he6 s GLU 97 CO 0.02 0.23 -0.24 0.42 -0.49 0.00 0.00 175.26 175.20 3he6 s ILE 98 N 0.26 2.25 -0.04 -1.63 1.09 0.32 -1.64 121.20 121.81 3he6 s ILE 98 Ca -0.13 -1.10 0.03 0.00 -1.10 0.00 0.00 60.65 58.34 3he6 s ILE 98 Cb -0.16 -1.82 0.01 0.00 -1.06 0.00 0.00 42.46 39.43 3he6 s ILE 98 CO 0.07 0.54 -0.11 -1.10 -0.10 0.00 0.00 174.94 174.23 3he6 s GLN 99 N -0.77 1.28 -0.06 2.79 -0.21 -0.19 -1.07 119.66 121.43 3he6 s GLN 99 Ca 0.11 -0.37 0.00 0.00 0.02 0.00 0.00 55.36 55.12 3he6 s GLN 99 Cb -0.10 -1.14 0.02 0.00 1.00 0.00 0.00 33.01 32.79 3he6 s GLN 99 CO 0.00 0.10 -0.03 -1.17 -2.12 0.00 0.00 175.29 172.07 3he6 s LEU 100 N 0.34 1.03 -0.13 2.90 0.20 -0.69 0.12 118.68 122.45 3he6 s LEU 100 Ca -0.07 -0.12 0.01 0.00 0.69 0.00 0.00 54.13 54.64 3he6 s LEU 100 Cb -0.11 -0.47 0.02 0.00 -0.43 0.00 0.00 46.19 45.20 3he6 s LEU 100 CO 0.02 -0.11 -0.15 -0.55 -0.29 0.00 0.00 176.35 175.26 3he6 s SER 101 N 1.38 2.62 0.00 3.68 0.15 0.91 -0.08 113.70 122.35 3he6 s SER 101 Ca -0.04 -0.47 -0.01 0.00 0.70 0.00 0.00 55.95 56.13 3he6 s SER 101 Cb -0.13 -1.16 -0.00 0.00 -1.71 0.00 0.00 66.02 63.01 3he6 s SER 101 CO -0.03 -0.03 0.02 0.00 1.20 0.00 0.00 173.24 174.40 3he6 s ALA 102 N 1.29 -0.02 0.00 5.45 0.00 -0.13 -0.03 121.76 128.32 3he6 s ALA 102 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.82 3he6 s ALA 102 Cb -0.14 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.01 3he6 s ALA 102 CO -0.07 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.03 3he6 n GLY 103 N 2.52 -0.63 3.44 0.00 0.00 -0.53 0.69 105.19 110.68 3he6 n GLY 103 Ca -0.16 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 3he6 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3he6 s GLU 105 N 0.06 3.25 -0.17 0.00 2.02 -0.94 -1.92 118.70 121.01 3he6 s GLU 105 Ca -0.02 -0.65 -0.29 0.00 0.02 0.00 0.00 54.97 54.03 3he6 s GLU 105 Cb -0.04 -3.91 -0.01 0.00 0.10 0.00 0.00 34.13 30.27 3he6 s GLU 105 CO 0.02 -0.74 1.15 -1.64 0.02 0.00 0.00 175.26 174.07 3he6 s MET 106 N 2.08 4.28 0.34 1.61 -1.94 -0.69 -3.53 119.30 121.46 3he6 s MET 106 Ca 0.12 1.53 0.01 0.00 -1.71 0.00 0.00 55.69 55.64 3he6 s MET 106 Cb -0.17 -3.67 -0.03 0.00 2.01 0.00 0.00 34.83 32.97 3he6 s MET 106 CO 0.13 -0.60 0.53 0.71 -0.01 0.00 0.00 175.02 175.77 3he6 s TYR 107 N 3.06 3.45 -0.94 -0.03 4.12 -1.11 -3.76 117.35 122.14 3he6 s TYR 107 Ca 0.51 0.25 -0.24 0.00 0.02 0.00 0.00 57.07 57.61 3he6 s TYR 107 Cb -0.19 -1.89 -0.01 0.00 -1.52 0.00 0.00 41.96 38.34 3he6 s TYR 107 CO 0.13 0.11 1.75 -1.25 0.02 0.00 0.00 175.55 176.31 3he6 s PRO 108 N -4.28 2.96 0.00 -1.71 0.04 -1.26 -4.48 135.00 126.27 3he6 s PRO 108 Ca 0.40 -0.59 0.00 0.00 0.04 0.00 0.00 61.00 60.85 3he6 s PRO 108 Cb -0.10 -5.15 0.00 0.00 0.04 0.00 0.00 34.50 29.29 3he6 s PRO 108 CO 0.35 -2.91 0.00 0.41 0.04 0.00 0.00 177.00 174.89 3he6 n GLY 109 N 6.83 1.96 0.00 0.56 0.00 -1.26 -5.11 105.19 108.17 3he6 n GLY 109 Ca 0.37 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3he6 n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3he6 n ALA 111 N -3.00 0.00 -3.00 4.61 0.00 -1.26 -5.25 120.51 112.61 3he6 n ALA 111 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3he6 n ALA 111 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3he6 n ALA 111 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3he6 n SER 112 N 0.00 0.00 -3.54 0.00 3.41 -1.26 -2.75 113.62 109.48 3he6 n SER 112 Ca 0.00 -0.34 -0.17 0.00 -0.26 0.00 0.00 58.87 58.10 3he6 n SER 112 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 3he6 n SER 112 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3he6 s GLU 113 N -0.02 1.03 0.40 4.33 2.02 -1.23 -4.96 118.70 120.27 3he6 s GLU 113 Ca 0.00 0.17 0.08 0.00 0.02 0.00 0.00 54.97 55.23 3he6 s GLU 113 Cb 0.00 0.48 -0.07 0.00 0.10 0.00 0.00 34.13 34.65 3he6 s GLU 113 CO 0.00 -0.33 0.04 -1.12 0.02 0.00 0.00 175.26 173.87 3he6 s SER 114 N -1.30 4.03 -0.17 -0.19 0.01 -1.26 -2.20 113.70 112.61 3he6 s SER 114 Ca -0.10 -1.24 -0.22 0.00 1.31 0.00 0.00 55.95 55.69 3he6 s SER 114 Cb -0.01 -0.43 0.06 0.00 0.21 0.00 0.00 66.02 65.85 3he6 s SER 114 CO 0.08 -0.43 0.57 0.72 0.41 0.00 0.00 173.24 174.60 3he6 s PHE 115 N -2.65 -0.60 -0.34 2.43 -0.71 -0.89 -4.99 117.98 110.24 3he6 s PHE 115 Ca 0.36 1.36 -0.01 0.00 -1.04 0.00 0.00 56.93 57.60 3he6 s PHE 115 Cb 0.07 0.24 0.13 0.00 -1.21 0.00 0.00 43.02 42.24 3he6 s PHE 115 CO 0.19 -0.37 0.18 -1.17 -1.34 0.00 0.00 175.22 172.71 3he6 s LEU 116 N -0.13 1.00 -0.08 -1.99 0.20 -1.26 -1.46 118.68 114.96 3he6 s LEU 116 Ca -0.03 -1.91 -0.10 0.00 0.69 0.00 0.00 54.13 52.78 3he6 s LEU 116 Cb -0.03 -0.44 -0.05 0.00 -0.43 0.00 0.00 46.19 45.24 3he6 s LEU 116 CO 0.03 -0.35 0.23 -1.00 -0.29 0.00 0.00 176.35 174.96 3he6 s HIS 117 N 1.37 3.64 -0.06 5.38 3.76 0.95 -1.35 115.29 128.97 3he6 s HIS 117 Ca 0.15 0.68 0.05 0.00 -0.15 0.00 0.00 55.06 55.79 3he6 s HIS 117 Cb -0.21 -2.05 -0.01 0.00 1.11 0.00 0.00 32.58 31.42 3he6 s HIS 117 CO -0.12 0.70 -0.23 0.08 -0.85 0.00 0.00 174.74 174.32 3he6 s VAL 118 N -1.02 1.93 0.05 -0.90 1.01 0.54 -0.06 120.40 121.95 3he6 s VAL 118 Ca 0.18 -0.99 0.09 0.00 0.00 0.00 0.00 61.98 61.26 3he6 s VAL 118 Cb -0.13 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 3he6 s VAL 118 CO 0.07 0.54 -0.25 0.00 0.00 0.00 0.00 175.10 175.46 3he6 s ALA 119 N -0.02 2.33 -0.08 5.51 0.00 0.33 -1.84 121.76 127.99 3he6 s ALA 119 Ca -0.07 -1.28 0.01 0.00 0.00 0.00 0.00 51.96 50.63 3he6 s ALA 119 Cb -0.14 -0.51 0.02 0.00 0.00 0.00 0.00 23.12 22.48 3he6 s ALA 119 CO 0.04 0.54 -0.11 0.12 0.00 0.00 0.00 175.76 176.36 3he6 s PHE 120 N -0.85 1.45 -1.50 0.00 5.36 0.14 -1.02 117.98 121.55 3he6 s PHE 120 Ca 0.12 -0.59 -0.04 0.00 -0.96 0.00 0.00 56.93 55.46 3he6 s PHE 120 Cb -0.10 -1.11 0.01 0.00 -0.34 0.00 0.00 43.02 41.48 3he6 s PHE 120 CO 0.03 -0.34 0.07 1.04 -1.46 0.00 0.00 175.22 174.56 3he6 n GLN 121 N 4.13 -0.86 0.00 10.12 1.13 -0.65 -1.44 117.38 129.82 3he6 n GLN 121 Ca -0.20 0.08 0.00 0.00 -1.94 0.00 0.00 57.00 54.94 3he6 n GLN 121 Cb 0.51 -3.43 0.00 0.00 0.11 0.00 0.00 30.24 27.43 3he6 n GLN 121 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3he6 n GLY 122 N -2.53 2.88 3.91 1.08 0.00 -1.26 -5.01 105.19 104.26 3he6 n GLY 122 Ca -0.30 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 3he6 n GLY 122 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3he6 s LYS 123 N -0.17 3.46 -0.39 1.61 2.20 -0.52 -5.04 119.74 120.90 3he6 s LYS 123 Ca 0.00 -0.38 -0.27 0.00 -0.36 0.00 0.00 55.97 54.96 3he6 s LYS 123 Cb 0.00 -3.02 0.02 0.00 -1.51 0.00 0.00 37.83 33.32 3he6 s LYS 123 CO 0.00 0.60 1.00 -0.47 -0.36 0.00 0.00 175.35 176.12 3he6 s TYR 124 N -1.50 3.02 -0.03 4.03 5.04 -1.26 0.23 117.35 126.88 3he6 s TYR 124 Ca 0.35 0.81 -0.00 0.00 -2.44 0.00 0.00 57.07 55.78 3he6 s TYR 124 Cb -0.13 -3.86 -0.02 0.00 0.35 0.00 0.00 41.96 38.31 3he6 s TYR 124 CO 0.26 -0.94 -0.03 1.33 -1.34 0.00 0.00 175.55 174.84 3he6 n VAL 125 N 6.18 0.18 -4.66 3.14 0.24 -0.77 -4.87 118.33 117.77 3he6 n VAL 125 Ca 0.09 -0.06 -0.25 0.00 -2.04 0.00 0.00 64.34 62.08 3he6 n VAL 125 Cb 0.48 -0.82 -0.14 0.00 -1.47 0.00 0.00 33.84 31.88 3he6 n VAL 125 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3he6 s VAL 126 N -2.06 1.50 0.14 3.34 1.01 -1.02 -0.31 120.40 122.99 3he6 s VAL 126 Ca -0.04 -1.03 0.08 0.00 0.00 0.00 0.00 61.98 60.98 3he6 s VAL 126 Cb 0.01 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 3he6 s VAL 126 CO 0.07 0.23 -0.18 0.00 0.00 0.00 0.00 175.10 175.23 3he6 s ARG 127 N -0.94 1.16 -0.34 2.72 1.70 -0.76 -0.34 118.95 122.16 3he6 s ARG 127 Ca 0.06 -1.29 -0.19 0.00 -0.47 0.00 0.00 55.73 53.84 3he6 s ARG 127 Cb -0.08 -1.22 -0.00 0.00 -0.57 0.00 0.00 34.95 33.08 3he6 s ARG 127 CO 0.01 0.25 0.58 0.12 -1.08 0.00 0.00 175.30 175.19 3he6 s PHE 128 N -1.83 3.18 -0.06 5.89 5.36 -0.46 -1.47 117.98 128.59 3he6 s PHE 128 Ca 0.11 0.35 -0.00 0.00 -0.96 0.00 0.00 56.93 56.43 3he6 s PHE 128 Cb -0.07 -3.00 0.03 0.00 -0.34 0.00 0.00 43.02 39.64 3he6 s PHE 128 CO 0.05 -0.54 -0.02 -0.46 -1.46 0.00 0.00 175.22 172.79 3he6 s TRP 129 N 2.55 0.65 0.00 10.12 -0.11 -0.61 -4.40 118.94 127.13 3he6 s TRP 129 Ca 0.22 -0.16 0.00 0.00 1.22 0.00 0.00 56.10 57.38 3he6 s TRP 129 Cb -0.15 -0.69 0.00 0.00 -1.50 0.00 0.00 33.47 31.13 3he6 s TRP 129 CO 0.13 -0.25 0.00 0.41 -4.62 0.00 0.00 176.95 172.62 3he6 n GLY 130 N 4.59 1.69 0.04 5.86 0.00 -1.26 -3.09 105.19 113.02 3he6 n GLY 130 Ca -0.17 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 45.78 3he6 n GLY 130 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3he6 n THR 131 N 0.00 1.34 -3.83 2.61 -2.24 -1.26 -4.95 114.28 105.95 3he6 n THR 131 Ca 0.00 -1.50 -0.07 0.00 -2.27 0.00 0.00 64.05 60.21 3he6 n THR 131 Cb 0.00 0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.41 3he6 n THR 131 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3he6 s SER 132 N -1.77 -0.26 0.35 3.42 1.04 -1.18 -4.90 113.70 110.40 3he6 s SER 132 Ca 0.13 -0.57 -0.27 0.00 0.48 0.00 0.00 55.95 55.73 3he6 s SER 132 Cb 0.12 0.70 -0.09 0.00 0.10 0.00 0.00 66.02 66.84 3he6 s SER 132 CO 0.01 -1.28 1.10 0.26 0.98 0.00 0.00 173.24 174.31 3he6 s TRP 133 N -3.84 3.35 0.01 5.02 0.52 -1.26 -1.58 118.94 121.17 3he6 s TRP 133 Ca 0.11 1.64 -0.04 0.00 0.02 0.00 0.00 56.10 57.83 3he6 s TRP 133 Cb -0.05 -3.27 -0.01 0.00 -1.15 0.00 0.00 33.47 28.99 3he6 s TRP 133 CO 0.06 -0.78 0.07 1.14 0.02 0.00 0.00 176.95 177.46 3he6 s GLN 134 N -1.97 0.42 0.11 4.98 -2.07 -0.54 -4.93 119.66 115.65 3he6 s GLN 134 Ca 0.52 -0.49 -0.27 0.00 -1.82 0.00 0.00 55.36 53.29 3he6 s GLN 134 Cb -0.29 0.17 -0.06 0.00 -1.09 0.00 0.00 33.01 31.73 3he6 s GLN 134 CO 0.37 -0.09 0.86 0.95 -1.32 0.00 0.00 175.29 176.05 3he6 s THR 135 N -1.45 4.50 0.36 3.63 -4.23 -1.26 -1.83 115.64 115.36 3he6 s THR 135 Ca -0.15 1.86 -0.27 0.00 -1.18 0.00 0.00 61.69 61.95 3he6 s THR 135 Cb -0.08 -4.22 -0.09 0.00 1.34 0.00 0.00 72.50 69.44 3he6 s THR 135 CO 0.00 0.39 1.16 -0.69 -0.54 0.00 0.00 174.62 174.95 3he6 s VAL 136 N -0.37 3.21 0.16 2.29 1.01 0.58 -4.93 120.40 122.34 3he6 s VAL 136 Ca 0.41 1.08 -0.33 0.00 0.00 0.00 0.00 61.98 63.14 3he6 s VAL 136 Cb -0.23 -3.63 -0.16 0.00 0.00 0.00 0.00 36.38 32.36 3he6 s VAL 136 CO 0.27 0.16 1.14 -0.81 0.00 0.00 0.00 175.10 175.86 3he6 n PRO 137 N 0.42 1.04 -0.83 2.72 -0.04 -1.26 -1.58 135.00 135.47 3he6 n PRO 137 Ca 0.02 0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 3he6 n PRO 137 Cb 0.46 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 3he6 n PRO 137 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3he6 n GLY 138 N 2.02 0.58 3.84 0.55 0.00 -1.26 -5.06 105.19 105.85 3he6 n GLY 138 Ca 0.16 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3he6 n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3he6 s ALA 139 N -2.00 2.78 0.50 4.61 0.00 -0.62 -5.03 121.76 122.01 3he6 s ALA 139 Ca 0.00 -0.02 -0.21 0.00 0.00 0.00 0.00 51.96 51.72 3he6 s ALA 139 Cb 0.00 -3.13 -0.06 0.00 0.00 0.00 0.00 23.12 19.93 3he6 s ALA 139 CO 0.00 -1.11 1.16 -2.14 0.00 0.00 0.00 175.76 173.67 3he6 s PRO 140 N -5.12 3.53 0.14 0.00 0.02 -1.26 -4.94 135.00 127.37 3he6 s PRO 140 Ca 0.57 1.72 0.27 0.00 0.02 0.00 0.00 61.00 63.58 3he6 s PRO 140 Cb -0.13 -2.20 0.95 0.00 0.02 0.00 0.00 34.50 33.13 3he6 s PRO 140 CO 0.54 -0.73 1.82 -1.13 -0.33 0.00 0.00 177.00 177.18 3he6 n SER 141 N -0.91 0.55 0.23 2.53 3.41 -1.26 -3.08 113.62 115.09 3he6 n SER 141 Ca 0.10 0.55 0.09 0.00 -0.26 0.00 0.00 58.87 59.35 3he6 n SER 141 Cb 0.49 -0.70 0.53 0.00 -0.26 0.00 0.00 64.21 64.27 3he6 n SER 141 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 3he6 h TRP 142 N 0.00 0.00 0.00 7.33 5.08 -2.05 -2.84 115.95 123.46 3he6 h TRP 142 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3he6 h TRP 142 Cb 0.65 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.81 3he6 h TRP 142 CO 0.00 0.23 0.00 1.28 -1.28 0.00 0.00 178.44 178.67 3he6 n LEU 143 N -3.58 0.36 -0.10 0.11 4.77 -1.18 -3.64 117.00 113.74 3he6 n LEU 143 Ca -0.01 0.58 -0.06 0.00 -0.03 0.00 0.00 56.01 56.50 3he6 n LEU 143 Cb 0.37 -0.53 0.02 0.00 -2.33 0.00 0.00 43.42 40.94 3he6 n LEU 143 CO 0.33 -0.39 0.90 0.44 -1.33 0.00 0.00 177.39 177.34 3he6 h ASP 144 N 0.00 0.01 0.05 -1.43 3.32 -1.71 -2.21 116.42 114.44 3he6 h ASP 144 Ca 0.00 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 3he6 h ASP 144 Cb 0.33 0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3he6 h ASP 144 CO 0.00 0.04 -0.02 0.25 -1.72 0.00 0.00 179.24 177.79 3he6 h LEU 145 N 0.19 -0.06 -1.61 1.55 5.85 -1.81 -1.16 115.31 118.26 3he6 h LEU 145 Ca 0.17 -0.26 0.19 0.00 0.84 0.00 0.00 57.88 58.82 3he6 h LEU 145 Cb 0.19 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 3he6 h LEU 145 CO -0.22 0.23 0.56 -0.65 -0.34 0.00 0.00 178.44 178.02 3he6 h PRO 146 N -0.35 0.33 -0.09 5.25 0.11 -1.74 -0.20 132.00 135.32 3he6 h PRO 146 Ca -0.01 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.88 3he6 h PRO 146 Cb 0.31 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.36 3he6 h PRO 146 CO 0.01 0.22 -0.73 0.82 -0.21 0.00 0.00 178.00 178.10 3he6 h ILE 147 N 0.34 1.32 -0.93 4.15 1.08 -1.14 -1.92 117.51 120.40 3he6 h ILE 147 Ca 0.43 -2.00 0.10 0.00 -0.39 0.00 0.00 64.86 62.99 3he6 h ILE 147 Cb 1.14 2.21 -0.08 0.00 -3.07 0.00 0.00 36.82 37.02 3he6 h ILE 147 CO -0.13 0.62 0.58 0.50 -0.69 0.00 0.00 178.15 179.02 3he6 h LYS 148 N 0.30 0.94 -0.18 2.37 1.63 -0.65 0.17 116.57 121.15 3he6 h LYS 148 Ca -0.07 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.65 3he6 h LYS 148 Cb 1.39 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 32.80 3he6 h LYS 148 CO 0.15 0.62 0.00 0.28 -3.45 0.00 0.00 179.45 177.05 3he6 h VAL 149 N 0.96 1.25 -0.03 2.00 2.07 -1.01 -3.19 116.25 118.30 3he6 h VAL 149 Ca 0.44 -0.84 -0.12 0.00 0.82 0.00 0.00 66.70 67.00 3he6 h VAL 149 Cb 0.36 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 3he6 h VAL 149 CO -0.23 0.25 -0.55 0.25 0.02 0.00 0.00 177.57 177.31 3he6 h LEU 150 N 0.08 0.09 -0.09 2.57 5.85 -0.91 -2.67 115.31 120.23 3he6 h LEU 150 Ca 0.05 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3he6 h LEU 150 Cb 0.38 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.38 3he6 h LEU 150 CO 0.01 0.62 0.00 0.59 -0.34 0.00 0.00 178.44 179.32 3he6 n ASN 151 N -3.90 0.21 0.00 1.25 3.02 0.57 -3.02 115.26 113.39 3he6 n ASN 151 Ca -0.02 0.53 0.13 0.00 -0.03 0.00 0.00 54.58 55.20 3he6 n ASN 151 Cb 0.56 -0.58 0.80 0.00 -0.61 0.00 0.00 39.78 39.95 3he6 n ASN 151 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3he6 n ALA 152 N -1.58 2.62 -3.30 5.41 0.00 -1.01 -4.62 120.51 118.04 3he6 n ALA 152 Ca 0.05 -0.17 -0.46 0.00 0.00 0.00 0.00 53.44 52.86 3he6 n ALA 152 Cb 0.28 -1.44 -0.05 0.00 0.00 0.00 0.00 19.45 18.25 3he6 n ALA 152 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3he6 s ASP 153 N -1.88 6.27 0.36 0.00 -1.08 -1.17 -4.92 116.67 114.26 3he6 s ASP 153 Ca 0.40 -1.89 0.04 0.00 -0.52 0.00 0.00 52.55 50.58 3he6 s ASP 153 Cb 0.19 -2.22 0.69 0.00 -1.46 0.00 0.00 42.92 40.12 3he6 s ASP 153 CO 0.31 -0.84 1.98 1.56 0.52 0.00 0.00 175.17 178.70 3he6 h GLN 154 N 8.75 0.64 -0.24 4.34 4.20 -1.90 -3.03 115.11 127.87 3he6 h GLN 154 Ca -0.24 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.37 3he6 h GLN 154 Cb 1.09 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 3he6 h GLN 154 CO 1.00 0.50 0.02 0.78 -0.67 0.00 0.00 178.83 180.47 3he6 h GLY 155 N 0.75 0.43 0.76 3.46 0.00 -1.99 -1.50 103.07 104.99 3he6 h GLY 155 Ca 0.16 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 3he6 h GLY 155 CO -0.02 0.28 -0.04 -0.84 0.00 0.00 0.00 176.54 175.91 3he6 h THR 156 N 0.19 1.06 -0.82 4.70 2.02 -1.96 -2.78 112.91 115.32 3he6 h THR 156 Ca 0.07 -0.52 0.19 0.00 0.77 0.00 0.00 66.41 66.92 3he6 h THR 156 Cb 0.35 1.40 -0.12 0.00 -1.74 0.00 0.00 68.15 68.05 3he6 h THR 156 CO 0.01 0.13 0.28 -1.28 0.37 0.00 0.00 175.52 175.02 3he6 h SER 157 N -0.35 0.15 -0.09 4.18 0.87 -1.47 0.12 113.55 116.96 3he6 h SER 157 Ca -0.01 0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 3he6 h SER 157 Cb 0.30 0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.43 3he6 h SER 157 CO 0.02 -0.03 0.04 0.00 -0.53 0.00 0.00 176.83 176.32 3he6 h ALA 158 N 1.67 0.12 -0.15 6.23 0.00 -1.16 -2.16 119.26 123.81 3he6 h ALA 158 Ca 0.49 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 55.15 3he6 h ALA 158 Cb 0.90 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3he6 h ALA 158 CO -0.53 -0.29 -0.56 1.79 0.00 0.00 0.00 179.25 179.65 3he6 h THR 159 N -0.01 1.34 -0.71 0.00 1.35 -1.02 -2.58 112.91 111.27 3he6 h THR 159 Ca 0.03 -1.84 -0.06 0.00 -0.55 0.00 0.00 66.41 63.99 3he6 h THR 159 Cb 0.17 1.83 -0.03 0.00 -1.73 0.00 0.00 68.15 68.39 3he6 h THR 159 CO -0.00 0.56 0.21 0.58 -0.25 0.00 0.00 175.52 176.62 3he6 h VAL 160 N 0.36 1.26 -0.31 6.82 2.07 -0.78 -1.85 116.25 123.83 3he6 h VAL 160 Ca 0.00 -0.92 -0.04 0.00 0.82 0.00 0.00 66.70 66.57 3he6 h VAL 160 Cb 1.09 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3he6 h VAL 160 CO 0.10 0.36 0.05 1.56 0.02 0.00 0.00 177.57 179.66 3he6 h GLN 161 N 1.06 0.51 -0.40 1.57 4.20 -1.18 -1.16 115.11 119.71 3he6 h GLN 161 Ca 0.23 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 3he6 h GLN 161 Cb 0.33 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 3he6 h GLN 161 CO -0.00 0.61 0.24 1.98 -0.67 0.00 0.00 178.83 180.99 3he6 h MET 162 N 0.34 0.55 -0.51 1.46 4.05 -1.41 0.52 114.93 119.92 3he6 h MET 162 Ca 0.09 -0.05 0.09 0.00 -0.28 0.00 0.00 59.70 59.56 3he6 h MET 162 Cb 0.35 -0.11 -0.07 0.00 -0.80 0.00 0.00 31.60 30.96 3he6 h MET 162 CO 0.01 0.41 0.08 -0.07 0.23 0.00 0.00 176.91 177.57 3he6 h LEU 163 N 0.53 -0.04 0.03 3.39 3.38 -1.11 0.18 115.31 121.68 3he6 h LEU 163 Ca 0.14 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 3he6 h LEU 163 Cb 0.00 0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3he6 h LEU 163 CO -0.03 0.00 -0.02 -0.07 0.09 0.00 0.00 178.44 178.42 3he6 h LEU 164 N 0.21 -0.04 0.11 1.67 3.38 -0.91 0.26 115.31 119.99 3he6 h LEU 164 Ca 0.26 -0.63 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 3he6 h LEU 164 Cb 0.37 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3he6 h LEU 164 CO -0.36 0.73 -0.05 0.78 0.09 0.00 0.00 178.44 179.63 3he6 h ASN 165 N -0.93 -0.12 0.00 -0.43 4.21 0.09 -3.39 115.58 115.00 3he6 h ASN 165 Ca -0.00 -0.23 -0.27 0.00 1.21 0.00 0.00 56.30 57.00 3he6 h ASN 165 Cb 0.66 0.03 -0.04 0.00 -1.12 0.00 0.00 38.32 37.85 3he6 h ASN 165 CO 0.01 0.17 -1.86 0.47 -1.29 0.00 0.00 177.43 174.92 3he6 n ASP 166 N -5.03 1.27 -0.10 5.81 8.00 0.17 -4.72 116.55 121.95 3he6 n ASP 166 Ca -0.08 0.22 -0.12 0.00 0.71 0.00 0.00 54.79 55.51 3he6 n ASP 166 Cb 0.19 -0.52 -0.04 0.00 -0.02 0.00 0.00 41.12 40.73 3he6 n ASP 166 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3he6 h THR 167 N -0.63 1.30 -0.18 -3.53 2.02 -0.75 -2.81 112.91 108.32 3he6 h THR 167 Ca -0.41 -1.33 -0.03 0.00 0.77 0.00 0.00 66.41 65.42 3he6 h THR 167 Cb 1.32 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 69.24 3he6 h THR 167 CO -0.25 0.43 0.01 0.00 0.37 0.00 0.00 175.52 176.08 3he6 h PRO 169 N 0.07 0.57 0.00 0.00 0.11 -1.78 -2.03 132.00 128.95 3he6 h PRO 169 Ca 0.05 -0.18 -0.09 0.00 0.11 0.00 0.00 66.00 65.89 3he6 h PRO 169 Cb 0.35 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 3he6 h PRO 169 CO 0.01 0.70 -0.42 1.25 -0.21 0.00 0.00 178.00 179.33 3he6 h LEU 170 N 0.52 0.00 0.02 2.35 5.85 -1.44 -2.52 115.31 120.08 3he6 h LEU 170 Ca 0.09 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3he6 h LEU 170 Cb 0.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.58 3he6 h LEU 170 CO 0.03 0.42 -0.01 0.15 -0.34 0.00 0.00 178.44 178.69 3he6 h PHE 171 N 0.00 -0.02 -0.73 1.25 3.57 -1.07 -3.24 116.94 116.71 3he6 h PHE 171 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3he6 h PHE 171 Cb 0.88 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.59 3he6 h PHE 171 CO 0.00 0.69 0.47 0.28 -2.23 0.00 0.00 178.31 177.52 3he6 h VAL 172 N -0.77 1.19 -0.10 1.41 2.07 -1.36 0.92 116.25 119.61 3he6 h VAL 172 Ca -0.00 -0.37 0.03 0.00 0.82 0.00 0.00 66.70 67.17 3he6 h VAL 172 Cb 0.72 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3he6 h VAL 172 CO 0.00 0.19 0.09 0.03 0.02 0.00 0.00 177.57 177.91 3he6 h ARG 173 N 1.00 0.00 -0.35 1.57 3.08 -1.60 0.13 114.38 118.21 3he6 h ARG 173 Ca 0.27 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.24 3he6 h ARG 173 Cb -0.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 3he6 h ARG 173 CO -0.06 0.00 -0.10 0.78 -1.07 0.00 0.00 179.97 179.53 3he6 h GLY 174 N 0.00 0.74 1.23 0.04 0.00 -0.86 -3.17 103.07 101.05 3he6 h GLY 174 Ca 0.05 -0.62 -0.09 0.00 0.00 0.00 0.00 47.33 46.67 3he6 h GLY 174 CO -0.00 0.56 -0.05 1.41 0.00 0.00 0.00 176.54 178.46 3he6 h LEU 175 N 0.47 0.90 -1.65 3.11 3.38 -0.23 -2.08 115.31 119.22 3he6 h LEU 175 Ca 0.09 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 3he6 h LEU 175 Cb 0.60 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3he6 h LEU 175 CO 0.04 0.99 -0.11 -0.07 0.09 0.00 0.00 178.44 179.38 3he6 h LEU 176 N 0.84 0.00 0.00 1.67 3.38 -1.08 0.59 115.31 120.71 3he6 h LEU 176 Ca 0.15 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.79 3he6 h LEU 176 Cb 0.57 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 3he6 h LEU 176 CO 0.03 0.11 -1.98 1.21 0.09 0.00 0.00 178.44 177.91 3he6 n GLU 177 N -3.37 0.66 0.08 1.13 2.13 -1.18 -3.44 120.64 116.65 3he6 n GLU 177 Ca -0.01 0.18 -0.19 0.00 0.66 0.00 0.00 57.16 57.80 3he6 n GLU 177 Cb 0.30 -1.69 -0.11 0.00 0.27 0.00 0.00 31.44 30.22 3he6 n GLU 177 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3he6 h ALA 178 N 0.98 0.12 -0.64 4.31 0.00 -1.01 -3.24 119.26 119.78 3he6 h ALA 178 Ca -0.39 -0.76 -0.09 0.00 0.00 0.00 0.00 54.91 53.68 3he6 h ALA 178 Cb 2.10 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.90 3he6 h ALA 178 CO 0.06 0.75 0.11 0.41 0.00 0.00 0.00 179.25 180.58 3he6 n GLY 179 N 1.24 3.23 0.37 0.00 0.00 0.20 -4.58 105.19 105.66 3he6 n GLY 179 Ca -0.11 -0.95 0.04 0.00 0.00 0.00 0.00 46.02 45.01 3he6 n GLY 179 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3he6 h LYS 180 N 3.48 -0.00 0.13 1.61 3.11 -1.58 -2.14 116.57 121.18 3he6 h LYS 180 Ca 0.11 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.94 3he6 h LYS 180 Cb 2.13 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.36 3he6 h LYS 180 CO 0.60 -0.00 -0.06 1.03 -2.81 0.00 0.00 179.45 178.20 3he6 h SER 181 N -0.00 -0.14 -0.08 4.20 0.87 -1.87 -2.73 113.55 113.79 3he6 h SER 181 Ca 0.44 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 61.03 3he6 h SER 181 Cb 0.69 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.69 3he6 h SER 181 CO -1.02 -0.10 0.13 0.44 -0.53 0.00 0.00 176.83 175.75 3he6 h ASP 182 N -0.17 0.00 0.48 6.23 5.19 -1.87 -0.60 116.42 125.68 3he6 h ASP 182 Ca -0.02 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.09 3he6 h ASP 182 Cb 0.13 0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.66 3he6 h ASP 182 CO 0.03 0.00 -1.36 -0.07 -3.12 0.00 0.00 179.24 174.72 3he6 h LEU 183 N 0.00 0.59 -2.73 1.55 3.38 -1.45 -3.33 115.31 113.33 3he6 h LEU 183 Ca 0.04 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.37 3he6 h LEU 183 Cb 0.29 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3he6 h LEU 183 CO -0.00 1.50 0.00 -0.62 0.09 0.00 0.00 178.44 179.41 3he6 n GLU 184 N -3.60 3.37 -2.14 1.13 1.02 -0.31 -4.94 120.64 115.17 3he6 n GLU 184 Ca -0.12 -2.45 -0.38 0.00 -0.02 0.00 0.00 57.16 54.19 3he6 n GLU 184 Cb 1.06 -1.82 -0.00 0.00 -0.02 0.00 0.00 31.44 30.66 3he6 n GLU 184 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 3he6 s LYS 185 N -1.83 3.70 -0.05 3.49 -2.85 -0.70 -5.04 119.74 116.47 3he6 s LYS 185 Ca 0.44 1.92 0.06 0.00 -1.00 0.00 0.00 55.97 57.39 3he6 s LYS 185 Cb 0.28 -2.46 -0.02 0.00 -2.06 0.00 0.00 37.83 33.58 3he6 s LYS 185 CO 0.21 -0.64 -0.22 -0.65 0.10 0.00 0.00 175.35 174.15 3he6 s GLN 186 N -2.63 2.44 -0.06 1.78 -1.52 -1.26 -4.23 119.66 114.18 3he6 s GLN 186 Ca 0.63 -0.84 0.01 0.00 -1.95 0.00 0.00 55.36 53.21 3he6 s GLN 186 Cb -0.32 -2.21 0.02 0.00 -0.22 0.00 0.00 33.01 30.27 3he6 s GLN 186 CO 0.40 0.50 -0.07 -1.21 -0.25 0.00 0.00 175.29 174.66 3he6 s GLU 187 N -0.44 1.13 0.10 2.91 0.41 0.75 -4.95 118.70 118.62 3he6 s GLU 187 Ca 0.05 -0.19 -0.30 0.00 -0.41 0.00 0.00 54.97 54.11 3he6 s GLU 187 Cb -0.12 -1.09 -0.06 0.00 -1.78 0.00 0.00 34.13 31.08 3he6 s GLU 187 CO 0.01 -0.09 1.16 0.15 -0.49 0.00 0.00 175.26 176.00 3he6 s LYS 188 N 1.01 4.49 0.53 1.61 1.02 -1.26 -2.72 119.74 124.41 3he6 s LYS 188 Ca -0.09 1.74 -0.20 0.00 0.02 0.00 0.00 55.97 57.45 3he6 s LYS 188 Cb -0.14 -3.33 -0.06 0.00 -0.52 0.00 0.00 37.83 33.78 3he6 s LYS 188 CO -0.00 -0.14 1.11 -2.14 -0.92 0.00 0.00 175.35 173.26 3he6 s PRO 189 N 0.56 3.47 -0.12 -1.68 0.02 -1.26 -4.51 135.00 131.47 3he6 s PRO 189 Ca 0.55 1.56 0.01 0.00 0.02 0.00 0.00 61.00 63.14 3he6 s PRO 189 Cb -0.29 -2.03 0.02 0.00 0.02 0.00 0.00 34.50 32.21 3he6 s PRO 189 CO 0.31 -0.74 -0.15 0.08 -0.33 0.00 0.00 177.00 176.17 3he6 s VAL 190 N -1.81 1.53 0.15 3.83 1.01 -0.27 -4.94 120.40 119.89 3he6 s VAL 190 Ca 0.71 -0.64 0.08 0.00 0.00 0.00 0.00 61.98 62.13 3he6 s VAL 190 Cb -0.22 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 3he6 s VAL 190 CO 0.25 0.45 -0.09 0.00 0.00 0.00 0.00 175.10 175.71 3he6 s ALA 191 N 1.17 2.96 0.05 5.51 0.00 -1.26 -1.39 121.76 128.79 3he6 s ALA 191 Ca -0.02 -1.38 -0.14 0.00 0.00 0.00 0.00 51.96 50.42 3he6 s ALA 191 Cb -0.14 -0.81 0.02 0.00 0.00 0.00 0.00 23.12 22.19 3he6 s ALA 191 CO -0.05 0.54 0.31 1.67 0.00 0.00 0.00 175.76 178.23 3he6 s TRP 192 N -1.50 -0.12 0.41 0.00 -2.14 0.01 -4.99 118.94 110.61 3he6 s TRP 192 Ca 0.23 -0.03 0.08 0.00 2.66 0.00 0.00 56.10 59.05 3he6 s TRP 192 Cb -0.10 0.11 -0.01 0.00 -3.10 0.00 0.00 33.47 30.37 3he6 s TRP 192 CO 0.15 -0.52 0.43 -0.51 -2.66 0.00 0.00 176.95 173.84 3he6 s LEU 193 N -2.11 3.48 0.00 -4.66 1.43 -1.26 0.02 118.68 115.58 3he6 s LEU 193 Ca -0.04 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 3he6 s LEU 193 Cb -0.01 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 43.98 3he6 s LEU 193 CO -0.04 -0.67 0.00 -1.54 0.23 0.00 0.00 176.35 174.34 3he6 n SER 194 N -1.62 0.00 -3.99 2.29 3.41 -0.76 -4.93 113.62 108.02 3he6 n SER 194 Ca 0.04 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.57 3he6 n SER 194 Cb 0.61 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.47 3he6 n SER 194 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3he6 s SER 195 N 0.00 0.32 0.08 4.04 1.04 -1.26 0.80 113.70 118.72 3he6 s SER 195 Ca 0.00 -0.79 0.02 0.00 0.48 0.00 0.00 55.95 55.66 3he6 s SER 195 Cb 0.00 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 3he6 s SER 195 CO 0.00 -0.60 -0.07 0.68 0.98 0.00 0.00 173.24 174.23 3he6 s VAL 196 N -3.50 0.68 0.24 5.02 -7.23 0.08 -4.98 120.40 110.70 3he6 s VAL 196 Ca 0.03 -1.61 -0.31 0.00 -1.81 0.00 0.00 61.98 58.28 3he6 s VAL 196 Cb 0.04 -1.28 -0.14 0.00 0.56 0.00 0.00 36.38 35.56 3he6 s VAL 196 CO -0.09 -0.67 1.19 -2.65 -0.31 0.00 0.00 175.10 172.58 3he6 n PRO 197 N 0.54 1.51 -1.80 4.82 -0.02 -1.26 -1.33 135.00 137.47 3he6 n PRO 197 Ca -0.16 0.54 -0.29 0.00 -2.02 0.00 0.00 63.50 61.56 3he6 n PRO 197 Cb 0.58 -2.04 0.10 0.00 -0.02 0.00 0.00 33.50 32.12 3he6 n PRO 197 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3he6 s SER 198 N -0.11 4.30 0.39 2.55 0.15 -1.12 -4.60 113.70 115.25 3he6 s SER 198 Ca 0.66 0.86 0.25 0.00 0.70 0.00 0.00 55.95 58.42 3he6 s SER 198 Cb -0.73 -1.39 0.65 0.00 -1.71 0.00 0.00 66.02 62.84 3he6 s SER 198 CO 0.54 -2.05 1.71 0.77 1.20 0.00 0.00 173.24 175.42 3he6 h SER 199 N -1.15 0.00 -3.25 5.45 4.64 -1.94 -3.45 113.55 113.85 3he6 h SER 199 Ca -0.47 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.28 3he6 h SER 199 Cb 1.33 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.37 3he6 h SER 199 CO 0.65 0.00 -0.02 0.00 -0.87 0.00 0.00 176.83 176.58 3he6 s ALA 200 N -3.26 3.58 -0.11 5.18 0.00 -1.26 -5.02 121.76 120.87 3he6 s ALA 200 Ca 0.07 0.05 -0.33 0.00 0.00 0.00 0.00 51.96 51.75 3he6 s ALA 200 Cb 0.08 -2.65 -0.10 0.00 0.00 0.00 0.00 23.12 20.44 3he6 s ALA 200 CO 0.62 0.40 1.99 1.58 0.00 0.00 0.00 175.76 180.34 3he6 n HIS 201 N 1.70 2.23 -1.15 0.00 -0.00 -1.26 -2.46 115.22 114.28 3he6 n HIS 201 Ca -0.10 -0.07 -0.05 0.00 0.46 0.00 0.00 57.72 57.96 3he6 n HIS 201 Cb 0.51 -2.69 -0.02 0.00 -0.12 0.00 0.00 29.99 27.67 3he6 n HIS 201 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3he6 n GLY 202 N 4.87 0.78 3.82 1.57 0.00 -1.26 -5.03 105.19 109.93 3he6 n GLY 202 Ca 0.25 -0.58 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 3he6 n GLY 202 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3he6 s HIS 203 N -2.12 3.06 -0.08 1.61 3.76 -1.03 -2.29 115.29 118.21 3he6 s HIS 203 Ca 0.00 -0.14 0.02 0.00 -0.15 0.00 0.00 55.06 54.80 3he6 s HIS 203 Cb 0.00 -1.43 0.01 0.00 1.11 0.00 0.00 32.58 32.27 3he6 s HIS 203 CO 0.00 0.49 -0.14 1.03 -0.85 0.00 0.00 174.74 175.27 3he6 s ARG 204 N -3.85 1.98 -0.29 1.40 1.81 0.13 -2.79 118.95 117.35 3he6 s ARG 204 Ca 0.34 -0.50 -0.16 0.00 -1.72 0.00 0.00 55.73 53.69 3he6 s ARG 204 Cb -0.08 -1.63 -0.03 0.00 -0.45 0.00 0.00 34.95 32.76 3he6 s ARG 204 CO 0.25 0.02 0.41 -1.14 -0.68 0.00 0.00 175.30 174.16 3he6 s GLN 205 N 0.72 3.93 -0.13 3.54 0.74 -0.44 -1.20 119.66 126.83 3he6 s GLN 205 Ca -0.13 0.01 -0.08 0.00 0.05 0.00 0.00 55.36 55.21 3he6 s GLN 205 Cb -0.16 -3.69 -0.04 0.00 1.10 0.00 0.00 33.01 30.22 3he6 s GLN 205 CO 0.03 -0.36 0.16 -0.51 -0.55 0.00 0.00 175.29 174.06 3he6 s LEU 206 N 2.14 4.35 -0.10 3.68 1.02 0.42 -0.74 118.68 129.44 3he6 s LEU 206 Ca 0.16 0.44 0.04 0.00 0.02 0.00 0.00 54.13 54.79 3he6 s LEU 206 Cb -0.16 -2.11 -0.00 0.00 0.02 0.00 0.00 46.19 43.94 3he6 s LEU 206 CO 0.10 0.34 -0.23 -0.69 0.02 0.00 0.00 176.35 175.89 3he6 s VAL 207 N -0.66 2.11 -0.45 -1.59 1.01 0.24 -1.29 120.40 119.77 3he6 s VAL 207 Ca 0.14 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 3he6 s VAL 207 Cb -0.12 -1.81 0.12 0.00 0.00 0.00 0.00 36.38 34.57 3he6 s VAL 207 CO 0.03 0.56 0.25 0.00 0.00 0.00 0.00 175.10 175.94 3he6 s HIS 209 N 0.98 3.44 -0.12 0.00 3.76 0.10 -2.36 115.29 121.09 3he6 s HIS 209 Ca 0.09 1.52 0.03 0.00 -0.15 0.00 0.00 55.06 56.55 3he6 s HIS 209 Cb -0.23 -3.23 0.01 0.00 1.11 0.00 0.00 32.58 30.24 3he6 s HIS 209 CO -0.04 -0.42 -0.20 0.08 -0.85 0.00 0.00 174.74 173.31 3he6 s VAL 210 N 2.18 1.90 0.02 -0.90 1.01 0.86 -0.81 120.40 124.66 3he6 s VAL 210 Ca 0.49 -0.89 -0.00 0.00 0.00 0.00 0.00 61.98 61.57 3he6 s VAL 210 Cb -0.19 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 3he6 s VAL 210 CO 0.17 0.52 -0.01 -0.55 0.00 0.00 0.00 175.10 175.23 3he6 s SER 211 N 0.77 0.20 -0.30 3.32 0.15 -0.49 -0.87 113.70 116.47 3he6 s SER 211 Ca -0.09 -0.42 -0.02 0.00 0.70 0.00 0.00 55.95 56.12 3he6 s SER 211 Cb -0.16 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.25 3he6 s SER 211 CO 0.00 -0.27 0.21 0.61 1.20 0.00 0.00 173.24 174.99 3he6 n GLY 212 N 1.76 0.56 3.65 9.45 0.00 0.30 -1.12 105.19 119.80 3he6 n GLY 212 Ca -0.23 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 3he6 n GLY 212 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3he6 s PHE 213 N -2.93 2.97 -0.20 1.61 -0.71 -1.18 -4.29 117.98 113.25 3he6 s PHE 213 Ca 0.10 0.00 -0.13 0.00 -1.04 0.00 0.00 56.93 55.86 3he6 s PHE 213 Cb -0.05 -1.60 0.06 0.00 -1.21 0.00 0.00 43.02 40.22 3he6 s PHE 213 CO 0.13 0.44 0.49 -0.47 -1.34 0.00 0.00 175.22 174.47 3he6 s TYR 214 N -1.12 -0.67 1.02 3.49 6.14 -1.10 -1.14 117.35 123.96 3he6 s TYR 214 Ca 0.20 1.47 -0.16 0.00 0.64 0.00 0.00 57.07 59.22 3he6 s TYR 214 Cb -0.11 0.31 0.21 0.00 0.42 0.00 0.00 41.96 42.79 3he6 s TYR 214 CO 0.12 -0.35 1.22 -2.14 0.64 0.00 0.00 175.55 175.03 3he6 s PRO 215 N 1.05 0.21 0.13 4.97 0.02 -1.26 -0.18 135.00 139.95 3he6 s PRO 215 Ca -0.06 -0.15 -0.16 0.00 0.02 0.00 0.00 61.00 60.65 3he6 s PRO 215 Cb -0.06 -1.77 -0.01 0.00 0.02 0.00 0.00 34.50 32.68 3he6 s PRO 215 CO -0.09 -2.74 1.67 -0.22 -0.33 0.00 0.00 177.00 175.28 3he6 h LYS 216 N -1.88 0.59 -6.56 5.54 3.64 -1.99 -3.44 116.57 112.45 3he6 h LYS 216 Ca -0.46 -0.11 -0.59 0.00 -1.27 0.00 0.00 60.65 58.22 3he6 h LYS 216 Cb 1.28 -0.09 0.08 0.00 -0.41 0.00 0.00 32.23 33.08 3he6 h LYS 216 CO 0.43 0.57 0.61 -2.30 -2.27 0.00 0.00 179.45 176.48 3he6 n PRO 217 N -4.64 1.99 -3.50 1.90 -0.02 -1.26 -4.98 135.00 124.48 3he6 n PRO 217 Ca -0.00 0.71 -0.15 0.00 -2.02 0.00 0.00 63.50 62.04 3he6 n PRO 217 Cb 0.15 -2.37 -0.05 0.00 -0.02 0.00 0.00 33.50 31.22 3he6 n PRO 217 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3he6 s VAL 218 N 0.02 0.00 -0.24 -1.45 0.11 -1.26 -4.71 120.40 112.87 3he6 s VAL 218 Ca 0.70 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.75 3he6 s VAL 218 Cb -0.67 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.24 3he6 s VAL 218 CO 0.49 0.00 -0.05 0.86 -3.33 0.00 0.00 175.10 173.07 3he6 s TRP 219 N -2.01 2.39 -0.10 1.54 -0.00 0.36 -5.01 118.94 116.12 3he6 s TRP 219 Ca -0.05 -1.76 0.03 0.00 -0.00 0.00 0.00 56.10 54.32 3he6 s TRP 219 Cb -0.00 -1.58 0.01 0.00 -0.00 0.00 0.00 33.47 31.89 3he6 s TRP 219 CO 0.01 -0.78 -0.21 0.08 -0.00 0.00 0.00 176.95 176.06 3he6 s VAL 220 N 1.40 1.85 0.02 5.86 1.01 -1.26 0.27 120.40 129.55 3he6 s VAL 220 Ca -0.06 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 60.99 3he6 s VAL 220 Cb -0.19 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 3he6 s VAL 220 CO -0.06 0.51 0.08 -0.04 0.00 0.00 0.00 175.10 175.59 3he6 s MET 221 N 0.53 0.50 -0.15 2.72 -1.94 -0.65 -4.99 119.30 115.33 3he6 s MET 221 Ca -0.15 -0.64 -0.18 0.00 -1.71 0.00 0.00 55.69 53.01 3he6 s MET 221 Cb -0.17 0.20 -0.04 0.00 2.01 0.00 0.00 34.83 36.83 3he6 s MET 221 CO 0.05 -0.12 0.48 -1.58 -0.01 0.00 0.00 175.02 173.85 3he6 s TRP 222 N -2.07 3.46 0.24 -0.03 0.52 -1.26 -0.25 118.94 119.54 3he6 s TRP 222 Ca -0.10 0.83 0.10 0.00 0.02 0.00 0.00 56.10 56.96 3he6 s TRP 222 Cb -0.04 -2.59 -0.05 0.00 -1.15 0.00 0.00 33.47 29.64 3he6 s TRP 222 CO -0.02 0.07 -0.12 -1.64 0.02 0.00 0.00 176.95 175.26 3he6 s MET 223 N 0.99 1.93 -0.59 4.98 -1.94 0.25 0.64 119.30 125.56 3he6 s MET 223 Ca 0.25 -1.50 0.06 0.00 -1.71 0.00 0.00 55.69 52.79 3he6 s MET 223 Cb -0.15 -1.99 0.27 0.00 2.01 0.00 0.00 34.83 34.96 3he6 s MET 223 CO 0.10 0.38 0.75 0.54 -0.01 0.00 0.00 175.02 176.78 3he6 n ARG 224 N -0.39 2.35 0.00 2.03 1.74 -0.23 -1.67 116.66 120.49 3he6 n ARG 224 Ca -0.08 -4.46 0.00 0.00 -0.77 0.00 0.00 57.85 52.54 3he6 n ARG 224 Cb 0.58 -2.09 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 3he6 n ARG 224 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3he6 n GLY 225 N 0.72 0.99 0.00 -0.13 0.00 -1.26 -3.46 105.19 102.04 3he6 n GLY 225 Ca 0.29 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.79 3he6 n GLY 225 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3he6 n ASP 226 N 3.27 0.00 -4.66 1.61 8.00 -1.26 -4.88 116.55 118.62 3he6 n ASP 226 Ca 0.00 0.35 -0.43 0.00 0.71 0.00 0.00 54.79 55.42 3he6 n ASP 226 Cb 0.00 -0.34 -0.02 0.00 -0.02 0.00 0.00 41.12 40.74 3he6 n ASP 226 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3he6 s GLN 227 N -0.71 4.18 0.13 -1.24 -0.44 -1.22 -5.00 119.66 115.36 3he6 s GLN 227 Ca 0.00 1.80 -0.30 0.00 -2.50 0.00 0.00 55.36 54.36 3he6 s GLN 227 Cb 0.00 -3.85 -0.07 0.00 -1.64 0.00 0.00 33.01 27.45 3he6 s GLN 227 CO 0.00 -0.80 1.10 -1.83 0.50 0.00 0.00 175.29 174.26 3he6 s GLU 228 N 3.76 4.56 0.12 1.67 -1.05 -1.26 -1.07 118.70 125.42 3he6 s GLU 228 Ca 0.61 1.69 -0.31 0.00 -0.15 0.00 0.00 54.97 56.81 3he6 s GLU 228 Cb -0.25 -3.32 -0.09 0.00 -0.44 0.00 0.00 34.13 30.04 3he6 s GLU 228 CO 0.20 -0.00 1.52 -0.65 0.95 0.00 0.00 175.26 177.28 3he6 s GLN 229 N 0.11 4.25 0.23 -4.83 -1.52 0.21 -4.91 119.66 113.20 3he6 s GLN 229 Ca 0.52 2.24 0.26 0.00 -1.95 0.00 0.00 55.36 56.42 3he6 s GLN 229 Cb -0.28 -3.30 0.77 0.00 -0.22 0.00 0.00 33.01 29.97 3he6 s GLN 229 CO 0.33 -0.58 1.76 1.96 -0.25 0.00 0.00 175.29 178.51 3he6 h GLN 230 N 7.19 0.00 -0.59 2.91 1.08 -1.94 -3.01 115.11 120.76 3he6 h GLN 230 Ca -0.42 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.78 3he6 h GLN 230 Cb 1.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 3he6 h GLN 230 CO 0.90 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 179.19 3he6 n GLY 231 N 1.26 1.78 3.67 3.46 0.00 -1.26 -4.92 105.19 109.17 3he6 n GLY 231 Ca 0.05 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 3he6 n GLY 231 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3he6 s THR 232 N -1.69 4.28 -0.15 2.61 2.01 -1.14 -4.43 115.64 117.13 3he6 s THR 232 Ca 0.34 1.56 -0.04 0.00 0.31 0.00 0.00 61.69 63.86 3he6 s THR 232 Cb 0.21 -4.01 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 3he6 s THR 232 CO 0.17 -0.11 -0.03 -2.28 -0.69 0.00 0.00 174.62 171.68 3he6 s HIS 233 N 3.25 3.04 -0.16 4.92 2.46 0.09 -4.95 115.29 123.94 3he6 s HIS 233 Ca 0.55 -0.25 -0.17 0.00 0.47 0.00 0.00 55.06 55.66 3he6 s HIS 233 Cb -0.22 -1.95 -0.04 0.00 -0.13 0.00 0.00 32.58 30.24 3he6 s HIS 233 CO 0.16 0.01 0.45 0.50 -2.47 0.00 0.00 174.74 173.39 3he6 s ARG 234 N 0.28 4.25 0.55 2.88 3.52 -1.26 -0.75 118.95 128.42 3he6 s ARG 234 Ca -0.03 0.35 -0.08 0.00 -0.13 0.00 0.00 55.73 55.84 3he6 s ARG 234 Cb -0.14 -3.49 0.12 0.00 -1.56 0.00 0.00 34.95 29.88 3he6 s ARG 234 CO 0.03 0.04 0.75 0.41 -0.81 0.00 0.00 175.30 175.71 3he6 n GLY 235 N 3.60 -1.05 3.78 8.12 0.00 -0.60 -5.02 105.19 114.03 3he6 n GLY 235 Ca -0.07 -1.74 -0.37 0.00 0.00 0.00 0.00 46.02 43.84 3he6 n GLY 235 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3he6 s ASP 236 N -3.78 6.57 -0.41 1.61 1.01 -1.26 -4.82 116.67 115.58 3he6 s ASP 236 Ca 0.43 2.18 -0.28 0.00 0.71 0.00 0.00 52.55 55.59 3he6 s ASP 236 Cb -0.01 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.31 3he6 s ASP 236 CO 0.30 -0.63 1.65 -0.36 0.21 0.00 0.00 175.17 176.34 3he6 s PHE 237 N -1.56 2.02 -0.03 4.23 0.08 -1.26 -4.62 117.98 116.83 3he6 s PHE 237 Ca 0.59 0.65 -0.03 0.00 0.12 0.00 0.00 56.93 58.25 3he6 s PHE 237 Cb -0.26 -4.20 -0.04 0.00 -0.57 0.00 0.00 43.02 37.95 3he6 s PHE 237 CO 0.32 -2.49 0.16 -0.51 -0.10 0.00 0.00 175.22 172.60 3he6 s LEU 238 N 6.61 4.30 0.29 -0.37 1.43 0.11 -4.91 118.68 126.15 3he6 s LEU 238 Ca 0.70 0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 54.01 3he6 s LEU 238 Cb -0.18 -2.47 -0.08 0.00 0.03 0.00 0.00 46.19 43.50 3he6 s LEU 238 CO 0.31 0.29 0.66 -2.16 0.23 0.00 0.00 176.35 175.68 3he6 s PRO 239 N -1.74 3.92 0.32 1.29 0.04 -1.26 0.51 135.00 138.08 3he6 s PRO 239 Ca 0.24 0.51 0.03 0.00 0.04 0.00 0.00 61.00 61.82 3he6 s PRO 239 Cb -0.12 -2.52 -0.02 0.00 0.04 0.00 0.00 34.50 31.88 3he6 s PRO 239 CO 0.15 0.22 0.49 -0.80 0.04 0.00 0.00 177.00 177.10 3he6 s ASN 240 N -2.31 6.17 0.54 6.66 0.01 0.34 -4.83 114.94 121.51 3he6 s ASN 240 Ca 0.51 0.17 0.32 0.00 -0.71 0.00 0.00 52.86 53.15 3he6 s ASN 240 Cb -0.11 -1.73 1.46 0.00 0.41 0.00 0.00 41.25 41.28 3he6 s ASN 240 CO 0.19 -0.31 2.03 0.00 -1.51 0.00 0.00 177.10 177.50 3he6 h ALA 241 N 0.87 1.06 -0.84 0.60 0.00 -1.99 -3.14 119.26 115.81 3he6 h ALA 241 Ca -0.49 -0.06 -0.43 0.00 0.00 0.00 0.00 54.91 53.93 3he6 h ALA 241 Cb 1.24 -0.01 -0.26 0.00 0.00 0.00 0.00 17.79 18.76 3he6 h ALA 241 CO 0.59 0.08 0.48 -0.40 0.00 0.00 0.00 179.25 180.00 3he6 n ASP 242 N -3.25 3.53 -3.41 0.00 5.68 -1.26 -4.92 116.55 112.92 3he6 n ASP 242 Ca -0.00 -3.63 -0.24 0.00 -0.50 0.00 0.00 54.79 50.42 3he6 n ASP 242 Cb 0.28 -0.79 0.06 0.00 -1.14 0.00 0.00 41.12 39.53 3he6 n ASP 242 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3he6 n GLU 243 N -1.09 -6.76 -4.57 0.11 1.02 -1.19 -5.03 120.64 103.14 3he6 n GLU 243 Ca 0.53 0.84 -0.29 0.00 -0.02 0.00 0.00 57.16 58.22 3he6 n GLU 243 Cb 1.52 -5.82 -0.09 0.00 -0.02 0.00 0.00 31.44 27.03 3he6 n GLU 243 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3he6 s THR 244 N -3.27 1.77 0.26 2.62 -4.23 -1.26 -4.87 115.64 106.67 3he6 s THR 244 Ca 0.49 -1.94 0.10 0.00 -1.18 0.00 0.00 61.69 59.17 3he6 s THR 244 Cb -0.22 -2.71 -0.04 0.00 1.34 0.00 0.00 72.50 70.87 3he6 s THR 244 CO 0.61 0.00 -0.06 0.26 -0.54 0.00 0.00 174.62 174.89 3he6 s TRP 245 N -2.75 2.58 -0.03 3.99 0.52 -0.29 -0.51 118.94 122.45 3he6 s TRP 245 Ca 0.27 -0.25 0.01 0.00 0.02 0.00 0.00 56.10 56.15 3he6 s TRP 245 Cb 0.06 -1.15 0.01 0.00 -1.15 0.00 0.00 33.47 31.25 3he6 s TRP 245 CO 0.14 0.64 -0.05 -0.47 0.02 0.00 0.00 176.95 177.23 3he6 s TYR 246 N -2.33 0.71 0.00 -1.98 5.04 0.18 -0.54 117.35 118.44 3he6 s TYR 246 Ca 0.31 -0.18 -0.02 0.00 -2.44 0.00 0.00 57.07 54.74 3he6 s TYR 246 Cb -0.06 -0.58 -0.01 0.00 0.35 0.00 0.00 41.96 41.66 3he6 s TYR 246 CO 0.18 -0.13 0.03 -1.17 -1.34 0.00 0.00 175.55 173.12 3he6 s LEU 247 N 0.56 1.97 -0.01 6.97 2.96 -0.05 0.08 118.68 131.16 3he6 s LEU 247 Ca -0.07 -0.24 0.05 0.00 -0.22 0.00 0.00 54.13 53.65 3he6 s LEU 247 Cb -0.11 0.22 -0.01 0.00 0.50 0.00 0.00 46.19 46.79 3he6 s LEU 247 CO 0.00 -0.21 -0.16 0.00 -1.32 0.00 0.00 176.35 174.66 3he6 s GLN 248 N -0.91 1.31 -0.18 1.98 -2.07 -1.26 -0.10 119.66 118.42 3he6 s GLN 248 Ca -0.10 -0.62 -0.02 0.00 -1.82 0.00 0.00 55.36 52.80 3he6 s GLN 248 Cb -0.06 -1.28 -0.01 0.00 -1.09 0.00 0.00 33.01 30.57 3he6 s GLN 248 CO -0.00 0.35 -0.08 0.00 -1.32 0.00 0.00 175.29 174.23 3he6 s ALA 249 N -0.44 2.73 0.17 2.60 0.00 -1.00 -1.55 121.76 124.28 3he6 s ALA 249 Ca 0.06 -1.03 0.08 0.00 0.00 0.00 0.00 51.96 51.07 3he6 s ALA 249 Cb -0.07 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 3he6 s ALA 249 CO -0.00 -0.10 -0.05 0.95 0.00 0.00 0.00 175.76 176.56 3he6 s THR 250 N 0.92 3.47 -0.09 0.00 -4.23 0.07 -1.51 115.64 114.26 3he6 s THR 250 Ca -0.02 -1.51 -0.04 0.00 -1.18 0.00 0.00 61.69 58.94 3he6 s THR 250 Cb -0.15 -2.73 0.05 0.00 1.34 0.00 0.00 72.50 71.02 3he6 s THR 250 CO 0.00 -0.09 0.19 -0.22 -0.54 0.00 0.00 174.62 173.96 3he6 s LEU 251 N -2.84 0.11 -0.26 4.79 2.96 -0.41 -0.73 118.68 122.29 3he6 s LEU 251 Ca 0.26 0.42 -0.18 0.00 -0.22 0.00 0.00 54.13 54.41 3he6 s LEU 251 Cb -0.09 0.47 -0.03 0.00 0.50 0.00 0.00 46.19 47.04 3he6 s LEU 251 CO 0.17 -0.21 0.52 -0.62 -1.32 0.00 0.00 176.35 174.89 3he6 s ASP 252 N 1.93 6.44 0.08 3.68 -1.08 -1.26 -0.44 116.67 126.02 3he6 s ASP 252 Ca -0.02 0.53 0.05 0.00 -0.52 0.00 0.00 52.55 52.59 3he6 s ASP 252 Cb -0.12 -2.28 -0.03 0.00 -1.46 0.00 0.00 42.92 39.03 3he6 s ASP 252 CO -0.07 -0.29 -0.13 0.68 0.52 0.00 0.00 175.17 175.88 3he6 s VAL 253 N 2.31 1.04 0.05 1.11 -7.23 -0.34 -4.99 120.40 112.35 3he6 s VAL 253 Ca 0.21 -1.35 -0.31 0.00 -1.81 0.00 0.00 61.98 58.73 3he6 s VAL 253 Cb -0.16 -1.09 -0.06 0.00 0.56 0.00 0.00 36.38 35.64 3he6 s VAL 253 CO 0.09 -0.30 1.35 -0.70 -0.31 0.00 0.00 175.10 175.23 3he6 s GLU 254 N -1.93 4.33 0.01 4.82 2.12 -1.26 0.17 118.70 126.96 3he6 s GLU 254 Ca -0.01 1.96 -0.39 0.00 0.36 0.00 0.00 54.97 56.89 3he6 s GLU 254 Cb -0.09 -3.41 -0.19 0.00 0.26 0.00 0.00 34.13 30.70 3he6 s GLU 254 CO 0.02 -0.46 1.19 0.00 -0.54 0.00 0.00 175.26 175.47 3he6 n ALA 255 N 4.59 -2.56 -0.33 6.30 0.00 -0.97 -1.67 120.51 125.88 3he6 n ALA 255 Ca 0.12 0.56 0.00 0.00 0.00 0.00 0.00 53.44 54.12 3he6 n ALA 255 Cb 0.44 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.00 3he6 n ALA 255 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3he6 n GLY 256 N 1.99 0.83 0.04 0.00 0.00 -1.26 -4.94 105.19 101.84 3he6 n GLY 256 Ca 0.20 -0.08 0.04 0.00 0.00 0.00 0.00 46.02 46.18 3he6 n GLY 256 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3he6 n GLU 257 N -2.33 2.13 -0.03 1.61 1.02 -0.67 -4.67 120.64 117.70 3he6 n GLU 257 Ca 0.00 -1.90 -0.08 0.00 -0.02 0.00 0.00 57.16 55.15 3he6 n GLU 257 Cb 0.00 -1.18 0.08 0.00 -0.02 0.00 0.00 31.44 30.32 3he6 n GLU 257 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3he6 h GLU 258 N 0.00 0.64 -6.32 3.49 3.07 -1.92 -3.45 114.58 110.09 3he6 h GLU 258 Ca 0.00 -0.32 -0.58 0.00 -0.50 0.00 0.00 59.36 57.96 3he6 h GLU 258 Cb 0.74 0.01 0.02 0.00 -0.84 0.00 0.00 28.75 28.68 3he6 h GLU 258 CO 0.00 0.92 1.15 0.00 -1.40 0.00 0.00 179.01 179.68 3he6 n ALA 259 N -2.51 1.20 0.00 3.43 0.00 -1.26 -2.18 120.51 119.19 3he6 n ALA 259 Ca -0.02 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3he6 n ALA 259 Cb 0.52 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 17.39 3he6 n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3he6 n GLY 260 N 4.45 0.85 3.91 0.00 0.00 -1.26 -5.09 105.19 108.05 3he6 n GLY 260 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 3he6 n GLY 260 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3he6 s LEU 261 N 0.00 4.15 -0.08 0.99 1.43 -0.93 -4.63 118.68 119.62 3he6 s LEU 261 Ca 0.00 0.56 -0.05 0.00 -1.03 0.00 0.00 54.13 53.61 3he6 s LEU 261 Cb 0.00 -3.35 0.03 0.00 0.03 0.00 0.00 46.19 42.90 3he6 s LEU 261 CO 0.00 -0.11 0.18 0.00 0.23 0.00 0.00 176.35 176.66 3he6 s ALA 262 N -1.95 -0.42 -0.13 4.21 0.00 -0.67 -2.12 121.76 120.68 3he6 s ALA 262 Ca 0.41 0.66 -0.20 0.00 0.00 0.00 0.00 51.96 52.83 3he6 s ALA 262 Cb -0.11 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 3he6 s ALA 262 CO 0.29 -0.13 0.56 0.00 0.00 0.00 0.00 175.76 176.48 3he6 s ARG 264 N 0.95 2.62 -0.25 0.00 3.52 0.65 -0.86 118.95 125.58 3he6 s ARG 264 Ca 0.29 -0.69 -0.02 0.00 -0.13 0.00 0.00 55.73 55.17 3he6 s ARG 264 Cb -0.16 -2.27 0.02 0.00 -1.56 0.00 0.00 34.95 30.99 3he6 s ARG 264 CO 0.12 -0.16 -0.04 0.08 -0.81 0.00 0.00 175.30 174.49 3he6 s VAL 265 N 1.22 3.02 -0.24 7.11 1.01 -0.45 -1.63 120.40 130.44 3he6 s VAL 265 Ca 0.01 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 60.96 3he6 s VAL 265 Cb -0.14 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 3he6 s VAL 265 CO -0.08 0.20 0.08 -0.54 0.00 0.00 0.00 175.10 174.75 3he6 s LYS 266 N 1.35 3.74 -0.06 2.72 1.02 0.14 -2.70 119.74 125.95 3he6 s LYS 266 Ca 0.01 -0.44 -0.11 0.00 0.02 0.00 0.00 55.97 55.44 3he6 s LYS 266 Cb -0.17 -3.33 0.02 0.00 -0.52 0.00 0.00 37.83 33.84 3he6 s LYS 266 CO -0.04 -0.10 0.28 -1.58 -0.92 0.00 0.00 175.35 172.99 3he6 s HIS 267 N 1.39 -0.22 0.58 3.18 2.46 -1.26 -0.49 115.29 120.94 3he6 s HIS 267 Ca 0.05 0.47 0.28 0.00 0.47 0.00 0.00 55.06 56.34 3he6 s HIS 267 Cb -0.15 0.08 1.67 0.00 -0.13 0.00 0.00 32.58 34.06 3he6 s HIS 267 CO 0.04 -0.25 2.14 0.66 -2.47 0.00 0.00 174.74 174.86 3he6 h SER 268 N 4.85 0.00 0.77 9.88 4.64 -1.89 -2.75 113.55 129.05 3he6 h SER 268 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3he6 h SER 268 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3he6 h SER 268 CO 0.36 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.78 3he6 n SER 269 N -3.87 0.09 -0.06 4.97 3.41 -1.26 -3.13 113.62 113.76 3he6 n SER 269 Ca 0.00 0.51 -0.12 0.00 -0.26 0.00 0.00 58.87 59.01 3he6 n SER 269 Cb 0.26 -0.54 -0.15 0.00 -0.26 0.00 0.00 64.21 63.53 3he6 n SER 269 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3he6 n LEU 270 N -1.59 1.01 0.00 1.04 4.77 -1.04 -4.79 117.00 116.40 3he6 n LEU 270 Ca 0.05 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 3he6 n LEU 270 Cb 0.26 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3he6 n LEU 270 CO 0.20 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 3he6 n GLY 271 N 1.77 1.19 0.00 -0.72 0.00 -1.18 -4.12 105.19 102.13 3he6 n GLY 271 Ca -0.29 -0.96 0.11 0.00 0.00 0.00 0.00 46.02 44.88 3he6 n GLY 271 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3he6 n GLY 272 N 0.00 -1.08 3.40 -0.02 0.00 -1.26 -4.86 105.19 101.37 3he6 n GLY 272 Ca 0.00 -0.52 -0.45 0.00 0.00 0.00 0.00 46.02 45.05 3he6 n GLY 272 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3he6 s GLN 273 N -3.04 3.41 1.11 1.61 -0.21 -1.26 -5.04 119.66 116.25 3he6 s GLN 273 Ca 0.08 -1.76 -0.13 0.00 0.02 0.00 0.00 55.36 53.57 3he6 s GLN 273 Cb 0.16 -4.56 0.25 0.00 1.00 0.00 0.00 33.01 29.86 3he6 s GLN 273 CO 0.82 -1.58 1.05 -0.51 -2.12 0.00 0.00 175.29 172.95 3he6 s ASP 274 N 3.25 1.54 -0.36 5.90 1.01 -1.26 -4.84 116.67 121.91 3he6 s ASP 274 Ca 0.22 1.42 -0.11 0.00 0.71 0.00 0.00 52.55 54.79 3he6 s ASP 274 Cb -0.13 -2.16 0.01 0.00 1.01 0.00 0.00 42.92 41.66 3he6 s ASP 274 CO -0.04 -3.84 0.21 -0.63 0.21 0.00 0.00 175.17 171.08 3he6 s ILE 275 N -2.63 4.74 -0.45 0.77 1.09 -1.10 -4.96 121.20 118.67 3he6 s ILE 275 Ca 0.67 -0.66 -0.04 0.00 -1.10 0.00 0.00 60.65 59.53 3he6 s ILE 275 Cb -0.23 -3.57 0.12 0.00 -1.06 0.00 0.00 42.46 37.72 3he6 s ILE 275 CO 0.62 -0.14 0.26 -0.63 -0.10 0.00 0.00 174.94 174.94 3he6 s ILE 276 N 1.60 3.50 -0.24 2.92 1.01 -1.26 -1.34 121.20 127.40 3he6 s ILE 276 Ca 0.03 -2.11 -0.18 0.00 0.00 0.00 0.00 60.65 58.39 3he6 s ILE 276 Cb -0.18 -3.37 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 3he6 s ILE 276 CO 0.07 -0.73 0.52 -0.76 0.00 0.00 0.00 174.94 174.05 3he6 s LEU 277 N 1.04 4.09 -0.13 2.97 1.43 -0.04 -4.92 118.68 123.11 3he6 s LEU 277 Ca 0.09 0.59 -0.08 0.00 -1.03 0.00 0.00 54.13 53.69 3he6 s LEU 277 Cb -0.23 -2.69 -0.04 0.00 0.03 0.00 0.00 46.19 43.26 3he6 s LEU 277 CO -0.04 -0.25 0.16 -0.31 0.23 0.00 0.00 176.35 176.14 3he6 s TYR 278 N 2.07 3.56 -1.04 0.29 1.51 -1.26 -0.16 117.35 122.32 3he6 s TYR 278 Ca 0.22 0.51 -0.23 0.00 -1.01 0.00 0.00 57.07 56.57 3he6 s TYR 278 Cb -0.16 -2.02 0.00 0.00 -0.11 0.00 0.00 41.96 39.67 3he6 s TYR 278 CO 0.09 0.61 1.71 -0.46 -1.11 0.00 0.00 175.55 176.40 3he6 s TRP 279 N -0.65 2.25 0.00 2.71 -0.00 -0.90 -4.49 118.94 117.85 3he6 s TRP 279 Ca 0.14 -0.30 0.00 0.00 -0.00 0.00 0.00 56.10 55.94 3he6 s TRP 279 Cb -0.12 -4.41 0.00 0.00 -0.00 0.00 0.00 33.47 28.94 3he6 s TRP 279 CO 0.03 -1.77 0.00 0.41 -0.00 0.00 0.00 176.95 175.62 3he6 n GLY 280 N 6.55 4.25 0.03 5.86 0.00 -1.26 -4.44 105.19 116.18 3he6 n GLY 280 Ca 0.39 -1.22 -0.01 0.00 0.00 0.00 0.00 46.02 45.18 3he6 n GLY 280 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3he6 h LEU 282 N 0.00 -0.08 -0.42 0.99 5.85 -2.02 -3.28 115.31 116.35 3he6 h LEU 282 Ca 0.00 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.79 3he6 h LEU 282 Cb 0.00 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 3he6 h LEU 282 CO 0.00 -0.04 -0.18 1.57 -0.34 0.00 0.00 178.44 179.44 3he6 n HIS 283 N -2.42 -0.03 0.10 1.25 -0.00 -1.26 -0.47 115.22 112.39 3he6 n HIS 283 Ca -0.01 0.52 -0.12 0.00 0.46 0.00 0.00 57.72 58.57 3he6 n HIS 283 Cb 0.03 -0.63 -0.07 0.00 -0.12 0.00 0.00 29.99 29.20 3he6 n HIS 283 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 3he6 h HIS 284 N 0.00 -1.11 -0.98 1.57 -0.00 -1.79 -2.80 115.15 110.05 3he6 h HIS 284 Ca 0.13 0.03 0.25 0.00 -0.00 0.00 0.00 60.37 60.77 3he6 h HIS 284 Cb 0.24 0.47 -0.18 0.00 -0.00 0.00 0.00 27.41 27.93 3he6 h HIS 284 CO -0.39 -0.44 -0.06 0.82 -0.00 0.00 0.00 177.93 177.86 3he6 h ILE 285 N -0.58 0.03 -0.50 6.26 1.08 -0.83 -1.38 117.51 121.60 3he6 h ILE 285 Ca -0.01 -0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.36 3he6 h ILE 285 Cb 0.57 0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 34.32 3he6 h ILE 285 CO -0.19 0.00 -0.08 -0.07 -0.69 0.00 0.00 178.15 177.13 3he6 h LEU 286 N 0.01 0.93 -0.84 1.44 3.38 -1.41 -2.87 115.31 115.94 3he6 h LEU 286 Ca 0.56 -0.34 -0.12 0.00 0.09 0.00 0.00 57.88 58.07 3he6 h LEU 286 Cb 1.06 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 3he6 h LEU 286 CO -0.94 1.06 -0.56 0.44 0.09 0.00 0.00 178.44 178.53 3he6 h ASP 287 N 0.79 0.00 0.95 -0.43 3.32 -1.09 -2.71 116.42 117.25 3he6 h ASP 287 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3he6 h ASP 287 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3he6 h ASP 287 CO 0.04 0.56 0.00 0.00 -1.72 0.00 0.00 179.24 178.12 3he6 h ALA 288 N 1.44 1.00 0.01 3.45 0.00 -1.17 -2.85 119.26 121.15 3he6 h ALA 288 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 3he6 h ALA 288 Cb 1.02 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3he6 h ALA 288 CO 0.07 0.00 -0.98 1.96 0.00 0.00 0.00 179.25 180.30 3he6 h GLN 289 N 0.00 0.03 0.00 0.00 4.20 -1.34 -3.31 115.11 114.68 3he6 h GLN 289 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3he6 h GLN 289 Cb 0.48 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.27 3he6 h GLN 289 CO 0.00 0.98 -0.09 1.63 -0.67 0.00 0.00 178.83 180.68 3he6 n LYS 290 N -3.41 0.02 -0.50 1.46 5.02 -1.08 -3.80 118.16 115.87 3he6 n LYS 290 Ca -0.01 0.02 0.06 0.00 -2.02 0.00 0.00 58.31 56.36 3he6 n LYS 290 Cb 0.91 -1.52 0.19 0.00 -0.02 0.00 0.00 35.03 34.59 3he6 n LYS 290 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3he6 n MET 291 N -1.56 1.59 -2.35 1.97 0.00 -1.22 -5.06 117.12 110.49 3he6 n MET 291 Ca 0.07 -3.12 -0.35 0.00 0.00 0.00 0.00 57.70 54.30 3he6 n MET 291 Cb 0.35 -1.62 -0.01 0.00 0.00 0.00 0.00 33.22 31.94 3he6 n MET 291 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 3he6 s VAL 292 N -3.15 3.37 0.28 3.17 1.01 -1.25 -5.06 120.40 118.78 3he6 s VAL 292 Ca 0.38 0.85 -0.21 0.00 0.00 0.00 0.00 61.98 63.00 3he6 s VAL 292 Cb 0.35 -3.34 0.03 0.00 0.00 0.00 0.00 36.38 33.42 3he6 s VAL 292 CO -0.04 -0.19 0.75 -1.66 0.00 0.00 0.00 175.10 173.97 3he6 s TRP 293 N -1.85 -0.14 -1.97 5.22 1.48 -1.26 -5.06 118.94 115.36 3he6 s TRP 293 Ca 0.71 -0.34 0.31 0.00 -1.06 0.00 0.00 56.10 55.71 3he6 s TRP 293 Cb -0.21 0.72 1.67 0.00 -1.16 0.00 0.00 33.47 34.49 3he6 s TRP 293 CO 0.25 -1.25 2.10 0.27 -4.06 0.00 0.00 176.95 174.26 3he6 n ASN 294 N -0.61 0.27 -1.92 -2.66 0.23 -1.26 -4.94 115.26 104.37 3he6 n ASN 294 Ca -0.05 -0.93 -0.15 0.00 -0.53 0.00 0.00 54.58 52.92 3he6 n ASN 294 Cb 0.59 -0.04 0.01 0.00 -2.08 0.00 0.00 39.78 38.27 3he6 n ASN 294 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 3he6 n HIS 295 N -0.85 -1.08 -4.32 -2.53 8.25 -1.26 -5.03 115.22 108.40 3he6 n HIS 295 Ca 0.21 0.22 -0.34 0.00 -0.26 0.00 0.00 57.72 57.55 3he6 n HIS 295 Cb 0.18 -3.24 -0.14 0.00 1.12 0.00 0.00 29.99 27.90 3he6 n HIS 295 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3he6 s ARG 296 N -5.08 3.33 0.18 -0.41 0.52 -1.26 -4.04 118.95 112.19 3he6 s ARG 296 Ca 0.13 -0.68 0.08 0.00 -0.52 0.00 0.00 55.73 54.74 3he6 s ARG 296 Cb -0.06 -2.78 -0.04 0.00 0.52 0.00 0.00 34.95 32.59 3he6 s ARG 296 CO 0.16 -0.02 -0.07 -1.01 0.02 0.00 0.00 175.30 174.37 3he6 s HIS 297 N 0.96 2.69 -2.02 -0.53 0.09 -1.26 -5.13 115.29 110.07 3he6 s HIS 297 Ca -0.02 -0.20 0.18 0.00 -0.00 0.00 0.00 55.06 55.03 3he6 s HIS 297 Cb -0.15 -1.31 0.08 0.00 -0.00 0.00 0.00 32.58 31.20 3he6 s HIS 297 CO -0.01 0.51 1.02 -2.39 -0.00 0.00 0.00 174.74 173.87 3he6 n HIS 298 N 0.01 0.00 -0.92 1.40 1.44 -1.26 -5.23 115.22 110.66 3he6 n HIS 298 Ca -0.10 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.61 3he6 n HIS 298 Cb 0.55 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.66 3he6 n HIS 298 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25