#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w2a s LYS 3 N 0.00 4.03 -0.18 -2.82 -2.85 -1.26 -5.04 119.74 111.62 2w2a s LYS 3 Ca 0.00 1.37 -0.15 0.00 -1.00 0.00 0.00 55.97 56.19 2w2a s LYS 3 Cb 0.00 -2.29 -0.04 0.00 -2.06 0.00 0.00 37.83 33.44 2w2a s LYS 3 CO 0.00 -0.23 0.36 0.99 0.10 0.00 0.00 175.35 176.57 2w2a s THR 4 N -1.89 5.24 -0.16 3.79 2.01 -1.26 -4.95 115.64 118.42 2w2a s THR 4 Ca 0.62 0.65 -0.26 0.00 0.31 0.00 0.00 61.69 63.01 2w2a s THR 4 Cb -0.17 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.63 2w2a s THR 4 CO 0.21 0.31 0.89 -0.36 -0.69 0.00 0.00 174.62 174.98 2w2a s PHE 5 N 0.96 3.43 0.00 4.92 0.40 -1.26 -4.89 117.98 121.54 2w2a s PHE 5 Ca 0.18 1.34 0.00 0.00 -0.60 0.00 0.00 56.93 57.86 2w2a s PHE 5 Cb -0.14 -3.07 0.00 0.00 0.51 0.00 0.00 43.02 40.32 2w2a s PHE 5 CO 0.07 -0.26 0.00 1.63 0.70 0.00 0.00 175.22 177.36 2w2a n LYS 6 N 5.29 1.52 -4.30 0.44 5.02 -1.26 -3.77 118.16 121.10 2w2a n LYS 6 Ca 0.06 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.10 2w2a n LYS 6 Cb 0.48 -0.76 -0.09 0.00 -0.02 0.00 0.00 35.03 34.65 2w2a n LYS 6 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2w2a s THR 7 N -1.51 2.33 0.25 -0.18 -4.23 -1.26 -3.28 115.64 107.75 2w2a s THR 7 Ca 0.00 -1.84 -0.05 0.00 -1.18 0.00 0.00 61.69 58.62 2w2a s THR 7 Cb 0.00 -2.95 0.20 0.00 1.34 0.00 0.00 72.50 71.09 2w2a s THR 7 CO 0.00 -0.05 1.86 0.25 -0.54 0.00 0.00 174.62 176.13 2w2a h LEU 8 N 1.61 1.02 -1.33 4.79 5.85 -1.98 -2.80 115.31 122.47 2w2a h LEU 8 Ca -0.43 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.17 2w2a h LEU 8 Cb 1.25 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 2w2a h LEU 8 CO 0.72 0.85 0.29 -0.78 -0.34 0.00 0.00 178.44 179.18 2w2a h ASP 9 N 1.13 0.67 -0.65 1.25 3.58 -1.96 -0.86 116.42 119.59 2w2a h ASP 9 Ca 0.28 -0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.69 2w2a h ASP 9 Cb 0.08 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 40.93 2w2a h ASP 9 CO -0.04 0.55 0.43 0.44 -2.88 0.00 0.00 179.24 177.74 2w2a h ASP 10 N 0.76 0.73 0.01 2.28 3.32 -1.90 -3.22 116.42 118.40 2w2a h ASP 10 Ca 0.19 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 2w2a h ASP 10 Cb 0.03 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.40 2w2a h ASP 10 CO -0.03 0.53 -0.07 0.15 -1.72 0.00 0.00 179.24 178.09 2w2a h PHE 11 N 0.86 0.05 -3.51 4.55 3.57 -1.20 -3.44 116.94 117.82 2w2a h PHE 11 Ca 0.24 -0.04 -0.55 0.00 3.53 0.00 0.00 57.97 61.15 2w2a h PHE 11 Cb -0.07 -0.00 0.10 0.00 2.79 0.00 0.00 35.95 38.77 2w2a h PHE 11 CO -0.00 0.96 0.68 1.28 -2.23 0.00 0.00 178.31 179.01 2w2a n LEU 12 N -4.60 4.15 0.00 0.59 4.77 -0.44 -1.91 117.00 119.58 2w2a n LEU 12 Ca -0.10 1.20 0.00 0.00 -0.03 0.00 0.00 56.01 57.08 2w2a n LEU 12 Cb 0.48 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.02 2w2a n LEU 12 CO 0.35 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 2w2a n GLY 13 N 0.94 0.82 3.77 -0.72 0.00 0.93 -4.78 105.19 106.16 2w2a n GLY 13 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 2w2a n GLY 13 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2w2a s THR 14 N -3.24 4.75 -0.21 2.61 2.01 -0.80 -1.08 115.64 119.67 2w2a s THR 14 Ca 0.00 1.40 -0.04 0.00 0.31 0.00 0.00 61.69 63.35 2w2a s THR 14 Cb 0.00 -4.00 -0.01 0.00 0.01 0.00 0.00 72.50 68.50 2w2a s THR 14 CO 0.00 0.45 -0.03 -2.28 -0.69 0.00 0.00 174.62 172.07 2w2a s HIS 15 N -0.50 2.98 0.00 4.92 2.46 0.16 -2.15 115.29 123.17 2w2a s HIS 15 Ca 0.33 -0.74 0.06 0.00 0.47 0.00 0.00 55.06 55.18 2w2a s HIS 15 Cb -0.20 -2.09 -0.03 0.00 -0.13 0.00 0.00 32.58 30.13 2w2a s HIS 15 CO 0.20 -0.43 -0.19 -0.06 -2.47 0.00 0.00 174.74 171.80 2w2a s PHE 16 N 1.29 2.55 -0.06 3.88 0.40 0.68 -0.70 117.98 126.02 2w2a s PHE 16 Ca 0.04 -0.26 0.05 0.00 -0.60 0.00 0.00 56.93 56.15 2w2a s PHE 16 Cb -0.14 -1.52 -0.01 0.00 0.51 0.00 0.00 43.02 41.86 2w2a s PHE 16 CO -0.01 0.18 -0.22 0.42 0.70 0.00 0.00 175.22 176.29 2w2a s ILE 17 N -0.81 1.82 0.03 0.64 1.01 -0.65 -1.18 121.20 122.05 2w2a s ILE 17 Ca 0.13 -0.93 -0.00 0.00 0.00 0.00 0.00 60.65 59.85 2w2a s ILE 17 Cb -0.10 -1.55 -0.02 0.00 0.01 0.00 0.00 42.46 40.79 2w2a s ILE 17 CO 0.03 0.51 -0.03 -0.72 0.00 0.00 0.00 174.94 174.73 2w2a s TYR 18 N -0.03 0.33 -0.04 3.97 -0.85 -0.26 -0.81 117.35 119.66 2w2a s TYR 18 Ca -0.05 -0.66 0.05 0.00 -0.52 0.00 0.00 57.07 55.89 2w2a s TYR 18 Cb -0.13 -0.24 -0.01 0.00 0.38 0.00 0.00 41.96 41.95 2w2a s TYR 18 CO 0.04 -0.23 -0.20 0.99 -1.52 0.00 0.00 175.55 174.62 2w2a s THR 19 N -2.04 1.66 0.52 -3.49 2.01 0.43 -1.13 115.64 113.60 2w2a s THR 19 Ca -0.10 -0.85 -0.03 0.00 0.31 0.00 0.00 61.69 61.01 2w2a s THR 19 Cb -0.06 -1.41 -0.00 0.00 0.01 0.00 0.00 72.50 71.04 2w2a s THR 19 CO -0.03 0.47 0.79 -0.31 -0.69 0.00 0.00 174.62 174.85 2w2a s TYR 20 N -0.10 3.29 0.53 4.92 2.02 -0.41 -1.27 117.35 126.33 2w2a s TYR 20 Ca -0.02 0.51 0.20 0.00 -0.37 0.00 0.00 57.07 57.38 2w2a s TYR 20 Cb -0.12 -2.50 1.34 0.00 -0.40 0.00 0.00 41.96 40.29 2w2a s TYR 20 CO 0.02 -0.55 2.11 -0.44 -1.57 0.00 0.00 175.55 175.12 2w2a h ASP 21 N 0.12 0.00 0.49 2.29 3.32 -1.90 0.54 116.42 121.28 2w2a h ASP 21 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2w2a h ASP 21 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2w2a h ASP 21 CO 0.60 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.71 2w2a n ASN 22 N -4.44 0.00 0.00 6.45 3.02 -1.26 -4.90 115.26 114.13 2w2a n ASN 22 Ca 0.00 -0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 2w2a n ASN 22 Cb 0.23 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 2w2a n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2w2a n GLY 23 N 1.06 0.20 3.77 7.41 0.00 0.18 -5.07 105.19 112.74 2w2a n GLY 23 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 2w2a n GLY 23 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2w2a s TRP 24 N -2.00 2.93 -0.14 1.61 0.51 -1.26 -4.73 118.94 115.87 2w2a s TRP 24 Ca 0.00 1.41 0.01 0.00 -2.12 0.00 0.00 56.10 55.40 2w2a s TRP 24 Cb 0.00 -3.68 -0.00 0.00 -0.81 0.00 0.00 33.47 28.98 2w2a s TRP 24 CO 0.00 -1.98 -0.17 -2.00 -0.51 0.00 0.00 176.95 172.29 2w2a s GLU 25 N -2.01 3.20 0.18 4.98 2.12 -1.26 -1.29 118.70 124.61 2w2a s GLU 25 Ca 0.53 -0.77 0.11 0.00 0.36 0.00 0.00 54.97 55.19 2w2a s GLU 25 Cb -0.39 -2.55 -0.04 0.00 0.26 0.00 0.00 34.13 31.41 2w2a s GLU 25 CO 0.51 0.08 -0.21 0.71 -0.54 0.00 0.00 175.26 175.81 2w2a s TYR 26 N 0.64 2.38 -0.01 5.30 1.51 -0.28 -0.76 117.35 126.12 2w2a s TYR 26 Ca -0.09 -0.33 0.02 0.00 -1.01 0.00 0.00 57.07 55.65 2w2a s TYR 26 Cb -0.16 -1.19 0.00 0.00 -0.11 0.00 0.00 41.96 40.51 2w2a s TYR 26 CO 0.03 0.48 -0.05 -2.00 -1.11 0.00 0.00 175.55 172.90 2w2a s GLU 27 N -2.62 0.50 -0.16 -0.62 2.12 -0.07 -1.10 118.70 116.75 2w2a s GLU 27 Ca 0.21 -0.17 -0.17 0.00 0.36 0.00 0.00 54.97 55.20 2w2a s GLU 27 Cb -0.08 -0.50 0.05 0.00 0.26 0.00 0.00 34.13 33.85 2w2a s GLU 27 CO 0.10 0.07 0.48 -0.46 -0.54 0.00 0.00 175.26 174.92 2w2a s TRP 28 N 0.11 -0.51 -0.06 5.30 -0.00 -0.33 -1.02 118.94 122.44 2w2a s TRP 28 Ca -0.01 1.20 -0.00 0.00 -0.00 0.00 0.00 56.10 57.29 2w2a s TRP 28 Cb -0.05 0.19 0.03 0.00 -0.00 0.00 0.00 33.47 33.63 2w2a s TRP 28 CO -0.00 -0.29 -0.02 -0.47 -0.00 0.00 0.00 176.95 176.17 2w2a s TYR 29 N 0.04 0.70 -1.09 5.86 5.04 0.18 -0.23 117.35 127.84 2w2a s TYR 29 Ca -0.02 -0.19 -0.19 0.00 -2.44 0.00 0.00 57.07 54.23 2w2a s TYR 29 Cb -0.03 -0.74 0.09 0.00 0.35 0.00 0.00 41.96 41.63 2w2a s TYR 29 CO 0.01 -0.27 1.44 0.00 -1.34 0.00 0.00 175.55 175.39 2w2a s ALA 30 N 1.54 3.19 0.14 3.97 0.00 -0.91 -1.95 121.76 127.73 2w2a s ALA 30 Ca -0.01 -2.69 -0.13 0.00 0.00 0.00 0.00 51.96 49.13 2w2a s ALA 30 Cb -0.13 -4.39 -0.02 0.00 0.00 0.00 0.00 23.12 18.59 2w2a s ALA 30 CO -0.03 -3.27 1.54 -0.22 0.00 0.00 0.00 175.76 173.77 2w2a h LYS 31 N 8.67 0.83 0.00 0.00 3.64 -1.67 0.26 116.57 128.31 2w2a h LYS 31 Ca 0.26 -0.33 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 2w2a h LYS 31 Cb 0.96 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.73 2w2a h LYS 31 CO 1.33 0.96 0.02 0.27 -2.27 0.00 0.00 179.45 179.76 2w2a n ASN 32 N -4.28 -0.33 0.00 4.20 0.23 -1.12 -0.29 115.26 113.67 2w2a n ASN 32 Ca -0.01 -1.30 0.06 0.00 -0.53 0.00 0.00 54.58 52.80 2w2a n ASN 32 Cb 0.38 0.57 0.33 0.00 -2.08 0.00 0.00 39.78 38.98 2w2a n ASN 32 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 2w2a n ASP 33 N -1.49 0.00 -0.18 0.53 3.85 -1.26 -3.07 116.55 114.92 2w2a n ASP 33 Ca -0.01 -0.06 0.00 0.00 -0.71 0.00 0.00 54.79 54.01 2w2a n ASP 33 Cb 0.10 -0.19 0.00 0.00 -1.35 0.00 0.00 41.12 39.69 2w2a n ASP 33 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2w2a n HIS 34 N -1.19 0.00 -3.80 2.11 1.44 -1.26 -4.02 115.22 108.51 2w2a n HIS 34 Ca 0.07 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.65 2w2a n HIS 34 Cb 0.08 0.02 -0.14 0.00 0.12 0.00 0.00 29.99 30.06 2w2a n HIS 34 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 2w2a s THR 35 N 0.00 -0.03 0.05 0.61 2.01 -1.17 -1.00 115.64 116.11 2w2a s THR 35 Ca 0.00 0.10 0.06 0.00 0.31 0.00 0.00 61.69 62.15 2w2a s THR 35 Cb 0.00 -0.17 -0.02 0.00 0.01 0.00 0.00 72.50 72.32 2w2a s THR 35 CO 0.00 0.04 -0.16 0.68 -0.69 0.00 0.00 174.62 174.49 2w2a s VAL 36 N 0.61 1.24 0.06 3.82 -7.23 0.43 -1.77 120.40 117.56 2w2a s VAL 36 Ca -0.05 -1.13 0.08 0.00 -1.81 0.00 0.00 61.98 59.08 2w2a s VAL 36 Cb -0.06 -1.13 -0.03 0.00 0.56 0.00 0.00 36.38 35.72 2w2a s VAL 36 CO -0.03 -0.01 -0.22 -1.81 -0.31 0.00 0.00 175.10 172.72 2w2a s ASP 37 N -1.31 3.54 0.16 4.85 1.01 -0.82 -1.51 116.67 122.58 2w2a s ASP 37 Ca 0.02 -0.53 -0.09 0.00 0.71 0.00 0.00 52.55 52.66 2w2a s ASP 37 Cb -0.09 -0.45 -0.00 0.00 1.01 0.00 0.00 42.92 43.39 2w2a s ASP 37 CO 0.02 0.24 0.29 -0.72 0.21 0.00 0.00 175.17 175.21 2w2a s TYR 38 N -0.92 0.33 -0.20 4.23 1.13 -0.04 -0.65 117.35 121.24 2w2a s TYR 38 Ca 0.14 -0.70 -0.11 0.00 -1.41 0.00 0.00 57.07 55.00 2w2a s TYR 38 Cb -0.10 -0.03 0.07 0.00 -1.10 0.00 0.00 41.96 40.80 2w2a s TYR 38 CO 0.05 -0.71 0.47 0.50 -2.51 0.00 0.00 175.55 173.35 2w2a s ARG 39 N -3.95 0.46 -0.19 -3.49 3.52 -0.18 -0.86 118.95 114.26 2w2a s ARG 39 Ca 0.15 0.90 -0.04 0.00 -0.13 0.00 0.00 55.73 56.61 2w2a s ARG 39 Cb 0.03 0.04 -0.02 0.00 -1.56 0.00 0.00 34.95 33.44 2w2a s ARG 39 CO -0.02 -0.16 -0.03 0.42 -0.81 0.00 0.00 175.30 174.70 2w2a s ILE 40 N 1.55 3.77 -0.11 4.11 1.01 0.10 -0.89 121.20 130.74 2w2a s ILE 40 Ca -0.09 -0.38 0.18 0.00 0.00 0.00 0.00 60.65 60.36 2w2a s ILE 40 Cb -0.08 -2.68 -0.26 0.00 0.01 0.00 0.00 42.46 39.44 2w2a s ILE 40 CO -0.14 0.45 0.23 1.41 0.00 0.00 0.00 174.94 176.89 2w2a n HIS 41 N 4.09 0.00 -4.08 3.97 8.25 0.06 -0.85 115.22 126.66 2w2a n HIS 41 Ca -0.17 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.19 2w2a n HIS 41 Cb 0.52 -0.70 -0.09 0.00 1.12 0.00 0.00 29.99 30.84 2w2a n HIS 41 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2w2a s GLY 42 N -4.82 0.75 0.00 -1.41 0.00 -1.10 -4.71 107.32 96.02 2w2a s GLY 42 Ca -0.08 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.38 2w2a s GLY 42 CO 0.79 -1.21 0.00 0.61 0.00 0.00 0.00 173.10 173.29 2w2a n GLY 43 N -0.09 -1.76 0.37 0.20 0.00 -1.26 -3.99 105.19 98.66 2w2a n GLY 43 Ca -0.08 -1.73 0.18 0.00 0.00 0.00 0.00 46.02 44.39 2w2a n GLY 43 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2w2a h MET 44 N 0.00 0.55 -0.24 1.61 1.85 -2.01 -2.47 114.93 114.22 2w2a h MET 44 Ca 0.00 -0.03 -0.19 0.00 -0.61 0.00 0.00 59.70 58.86 2w2a h MET 44 Cb 0.00 -0.12 -0.19 0.00 0.43 0.00 0.00 31.60 31.71 2w2a h MET 44 CO 0.00 0.36 -0.69 1.33 -0.40 0.00 0.00 176.91 177.51 2w2a n VAL 45 N -4.72 1.98 -1.66 -5.77 0.24 -1.26 -4.68 118.33 102.45 2w2a n VAL 45 Ca 0.24 -3.23 -0.49 0.00 -2.04 0.00 0.00 64.34 58.82 2w2a n VAL 45 Cb 0.73 -0.25 -0.05 0.00 -1.47 0.00 0.00 33.84 32.80 2w2a n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2w2a n ALA 46 N -0.78 0.67 0.00 2.33 0.00 -0.93 -1.83 120.51 119.97 2w2a n ALA 46 Ca 0.24 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.10 2w2a n ALA 46 Cb 0.83 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.97 2w2a n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2w2a n GLY 47 N 3.48 2.50 3.75 0.00 0.00 -0.03 -4.96 105.19 109.94 2w2a n GLY 47 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2w2a n GLY 47 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2w2a s ARG 48 N -0.34 4.37 0.02 1.61 3.52 -0.76 -4.31 118.95 123.05 2w2a s ARG 48 Ca 0.00 2.13 -0.09 0.00 -0.13 0.00 0.00 55.73 57.64 2w2a s ARG 48 Cb 0.00 -3.15 0.00 0.00 -1.56 0.00 0.00 34.95 30.25 2w2a s ARG 48 CO 0.00 -0.25 0.18 1.67 -0.81 0.00 0.00 175.30 176.10 2w2a s TRP 49 N -0.29 0.03 -0.07 5.12 1.48 -1.03 -0.72 118.94 123.45 2w2a s TRP 49 Ca 0.55 -0.19 -0.05 0.00 -1.06 0.00 0.00 56.10 55.35 2w2a s TRP 49 Cb -0.38 -0.03 0.03 0.00 -1.16 0.00 0.00 33.47 31.93 2w2a s TRP 49 CO 0.43 -0.38 0.18 0.08 -4.06 0.00 0.00 176.95 173.20 2w2a s VAL 50 N -2.07 -0.02 0.17 -0.66 1.01 -0.04 -2.11 120.40 116.67 2w2a s VAL 50 Ca -0.09 0.08 0.10 0.00 0.00 0.00 0.00 61.98 62.07 2w2a s VAL 50 Cb -0.04 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 2w2a s VAL 50 CO -0.01 0.03 -0.22 0.42 0.00 0.00 0.00 175.10 175.32 2w2a s THR 51 N 0.65 2.06 -1.33 3.92 -4.23 -1.26 -0.86 115.64 114.59 2w2a s THR 51 Ca -0.05 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 2w2a s THR 51 Cb -0.06 -1.94 0.00 0.00 1.34 0.00 0.00 72.50 71.84 2w2a s THR 51 CO -0.03 -0.17 0.00 0.47 -0.54 0.00 0.00 174.62 174.34 2w2a n ASP 52 N 0.41 -4.62 -4.66 3.99 8.00 -1.19 -4.90 116.55 113.58 2w2a n ASP 52 Ca -0.14 0.01 -0.43 0.00 0.71 0.00 0.00 54.79 54.95 2w2a n ASP 52 Cb 0.56 -3.74 -0.02 0.00 -0.02 0.00 0.00 41.12 37.90 2w2a n ASP 52 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2w2a s GLN 53 N -4.67 4.22 0.22 -1.24 2.00 -0.57 -4.85 119.66 114.78 2w2a s GLN 53 Ca 0.00 1.86 -0.30 0.00 -2.00 0.00 0.00 55.36 54.92 2w2a s GLN 53 Cb 0.00 -3.83 -0.08 0.00 0.80 0.00 0.00 33.01 29.89 2w2a s GLN 53 CO 0.00 -0.75 1.13 0.15 -0.50 0.00 0.00 175.29 175.32 2w2a s LYS 54 N 3.62 4.58 0.05 1.67 -0.14 -1.26 -0.43 119.74 127.82 2w2a s LYS 54 Ca 0.62 1.80 -0.12 0.00 -1.36 0.00 0.00 55.97 56.90 2w2a s LYS 54 Cb -0.26 -3.23 0.01 0.00 -1.68 0.00 0.00 37.83 32.67 2w2a s LYS 54 CO 0.21 0.08 0.27 0.00 -0.76 0.00 0.00 175.35 175.14 2w2a s ALA 55 N -0.55 -0.57 -0.16 5.17 0.00 -0.17 -4.64 121.76 120.84 2w2a s ALA 55 Ca 0.48 -0.11 -0.19 0.00 0.00 0.00 0.00 51.96 52.14 2w2a s ALA 55 Cb -0.31 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 2w2a s ALA 55 CO 0.38 -0.41 0.55 0.34 0.00 0.00 0.00 175.76 176.62 2w2a s ASP 56 N -2.13 6.67 -0.12 0.00 2.15 -0.11 -4.38 116.67 118.75 2w2a s ASP 56 Ca -0.04 0.80 0.00 0.00 0.43 0.00 0.00 52.55 53.74 2w2a s ASP 56 Cb -0.01 -2.32 0.02 0.00 -0.30 0.00 0.00 42.92 40.32 2w2a s ASP 56 CO -0.04 -0.15 -0.12 -0.63 -0.17 0.00 0.00 175.17 174.06 2w2a s ILE 57 N 1.35 1.32 0.11 4.11 1.01 -1.26 -0.99 121.20 126.85 2w2a s ILE 57 Ca 0.27 -0.49 0.04 0.00 0.00 0.00 0.00 60.65 60.47 2w2a s ILE 57 Cb -0.16 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 2w2a s ILE 57 CO 0.11 0.41 -0.10 0.68 0.00 0.00 0.00 174.94 176.04 2w2a s VAL 58 N 1.44 1.01 -0.26 2.92 -7.23 -0.51 -4.98 120.40 112.79 2w2a s VAL 58 Ca 0.02 -1.76 -0.17 0.00 -1.81 0.00 0.00 61.98 58.25 2w2a s VAL 58 Cb -0.13 -1.51 -0.03 0.00 0.56 0.00 0.00 36.38 35.27 2w2a s VAL 58 CO -0.07 -0.61 0.48 -0.32 -0.31 0.00 0.00 175.10 174.26 2w2a s MET 59 N -3.07 4.06 0.06 4.82 1.75 -1.26 -0.96 119.30 124.68 2w2a s MET 59 Ca 0.09 0.25 -0.18 0.00 -1.25 0.00 0.00 55.69 54.60 2w2a s MET 59 Cb -0.01 -3.65 -0.13 0.00 2.84 0.00 0.00 34.83 33.87 2w2a s MET 59 CO 0.00 -0.33 1.35 -0.07 -0.65 0.00 0.00 175.02 175.32 2w2a h LEU 60 N 8.73 0.53 -7.67 4.11 3.38 -1.17 -3.48 115.31 119.75 2w2a h LEU 60 Ca -0.30 -0.50 0.12 0.00 0.09 0.00 0.00 57.88 57.29 2w2a h LEU 60 Cb 1.15 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.67 2w2a h LEU 60 CO 0.70 0.93 0.38 0.28 0.09 0.00 0.00 178.44 180.81 2w2a s THR 61 N -4.22 0.00 -0.48 0.22 -1.32 -1.23 -5.05 115.64 103.58 2w2a s THR 61 Ca -0.13 -0.67 -0.45 0.00 -1.21 0.00 0.00 61.69 59.23 2w2a s THR 61 Cb 0.06 -1.83 -0.19 0.00 -1.51 0.00 0.00 72.50 69.04 2w2a s THR 61 CO 0.79 0.00 1.81 1.21 -2.21 0.00 0.00 174.62 176.22 2w2a n GLU 62 N -0.44 0.14 -1.00 7.08 2.13 -1.26 -0.86 120.64 126.43 2w2a n GLU 62 Ca -0.06 0.05 -0.00 0.00 0.66 0.00 0.00 57.16 57.80 2w2a n GLU 62 Cb 0.61 -1.59 -0.00 0.00 0.27 0.00 0.00 31.44 30.73 2w2a n GLU 62 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2w2a n GLY 63 N 5.24 0.45 3.04 8.31 0.00 -1.21 -4.94 105.19 116.09 2w2a n GLY 63 Ca 0.39 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 46.10 2w2a n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2w2a s ILE 64 N -1.89 1.41 -0.03 -0.61 -1.09 -0.04 -4.18 121.20 114.77 2w2a s ILE 64 Ca 0.00 -0.59 0.04 0.00 -2.23 0.00 0.00 60.65 57.86 2w2a s ILE 64 Cb 0.00 -1.29 -0.00 0.00 -1.58 0.00 0.00 42.46 39.58 2w2a s ILE 64 CO 0.00 0.42 -0.13 -0.31 -1.23 0.00 0.00 174.94 173.69 2w2a s TYR 65 N 0.99 1.36 -0.08 3.97 1.51 -0.72 -0.52 117.35 123.85 2w2a s TYR 65 Ca -0.07 -0.36 0.04 0.00 -1.01 0.00 0.00 57.07 55.67 2w2a s TYR 65 Cb -0.15 -0.93 -0.00 0.00 -0.11 0.00 0.00 41.96 40.77 2w2a s TYR 65 CO -0.01 -0.13 -0.23 0.21 -1.11 0.00 0.00 175.55 174.28 2w2a s LYS 66 N 0.08 2.78 -0.09 -0.62 2.20 -0.14 -0.12 119.74 123.83 2w2a s LYS 66 Ca -0.03 -0.84 0.03 0.00 -0.36 0.00 0.00 55.97 54.77 2w2a s LYS 66 Cb -0.10 -2.17 0.01 0.00 -1.51 0.00 0.00 37.83 34.06 2w2a s LYS 66 CO 0.01 0.22 -0.17 0.42 -0.36 0.00 0.00 175.35 175.47 2w2a s ILE 67 N 0.23 1.57 -0.08 5.43 1.09 0.56 -1.42 121.20 128.58 2w2a s ILE 67 Ca -0.14 -0.72 0.04 0.00 -1.10 0.00 0.00 60.65 58.73 2w2a s ILE 67 Cb -0.17 -1.40 0.00 0.00 -1.06 0.00 0.00 42.46 39.84 2w2a s ILE 67 CO 0.07 0.45 -0.20 -0.44 -0.10 0.00 0.00 174.94 174.72 2w2a s SER 68 N 0.68 2.60 0.17 3.58 0.01 -0.17 -0.64 113.70 119.93 2w2a s SER 68 Ca -0.13 -0.45 -0.17 0.00 1.31 0.00 0.00 55.95 56.50 2w2a s SER 68 Cb -0.16 -1.08 0.03 0.00 0.21 0.00 0.00 66.02 65.02 2w2a s SER 68 CO 0.03 0.13 0.49 -1.66 0.41 0.00 0.00 173.24 172.64 2w2a s TRP 69 N 0.34 -0.16 0.06 2.43 -2.14 -0.65 -0.94 118.94 117.89 2w2a s TRP 69 Ca -0.14 -0.17 0.07 0.00 2.66 0.00 0.00 56.10 58.52 2w2a s TRP 69 Cb -0.16 0.35 -0.03 0.00 -3.10 0.00 0.00 33.47 30.53 2w2a s TRP 69 CO 0.06 -0.84 -0.18 -0.08 -2.66 0.00 0.00 176.95 173.25 2w2a s THR 70 N -3.85 1.44 0.24 0.66 -1.32 -1.26 -0.68 115.64 110.87 2w2a s THR 70 Ca 0.07 -1.24 0.07 0.00 -1.21 0.00 0.00 61.69 59.38 2w2a s THR 70 Cb 0.00 -1.30 -0.04 0.00 -1.51 0.00 0.00 72.50 69.66 2w2a s THR 70 CO -0.06 0.02 0.14 -1.61 -2.21 0.00 0.00 174.62 170.90 2w2a s GLU 71 N -1.43 2.77 0.63 7.08 2.02 0.27 -4.95 118.70 125.10 2w2a s GLU 71 Ca 0.04 -1.11 0.31 0.00 0.02 0.00 0.00 54.97 54.23 2w2a s GLU 71 Cb -0.09 -2.48 1.70 0.00 0.10 0.00 0.00 34.13 33.36 2w2a s GLU 71 CO 0.02 0.40 2.01 -1.35 0.02 0.00 0.00 175.26 176.36 2w2a h PRO 72 N 1.72 0.00 0.00 0.39 0.11 -1.95 0.31 132.00 132.58 2w2a h PRO 72 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2w2a h PRO 72 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2w2a h PRO 72 CO 0.61 0.00 -0.15 0.25 -0.21 0.00 0.00 178.00 178.49 2w2a n THR 73 N -3.27 0.42 0.00 -1.15 -2.24 -1.26 -3.39 114.28 103.39 2w2a n THR 73 Ca 0.01 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2w2a n THR 73 Cb 0.39 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 2w2a n THR 73 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2w2a n GLY 74 N 1.35 0.48 3.74 3.38 0.00 0.10 -4.65 105.19 109.60 2w2a n GLY 74 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2w2a n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2w2a s THR 75 N -2.11 2.57 -0.08 2.61 2.01 -1.26 -4.67 115.64 114.71 2w2a s THR 75 Ca 0.00 0.47 -0.03 0.00 0.31 0.00 0.00 61.69 62.43 2w2a s THR 75 Cb 0.00 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 2w2a s THR 75 CO 0.00 0.07 0.07 -1.81 -0.69 0.00 0.00 174.62 172.26 2w2a s ASP 76 N 0.46 5.73 -0.03 3.53 1.01 -0.81 -0.56 116.67 125.99 2w2a s ASP 76 Ca 0.61 0.26 0.02 0.00 0.71 0.00 0.00 52.55 54.15 2w2a s ASP 76 Cb -0.43 -1.71 0.01 0.00 1.01 0.00 0.00 42.92 41.80 2w2a s ASP 76 CO 0.43 0.37 -0.08 -0.69 0.21 0.00 0.00 175.17 175.41 2w2a s VAL 77 N -0.99 0.70 -0.22 -1.27 1.01 0.14 -0.58 120.40 119.18 2w2a s VAL 77 Ca 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 2w2a s VAL 77 Cb -0.12 -0.64 0.06 0.00 0.00 0.00 0.00 36.38 35.68 2w2a s VAL 77 CO 0.05 0.23 -0.02 0.00 0.00 0.00 0.00 175.10 175.36 2w2a s ALA 78 N 0.40 1.58 -0.10 5.51 0.00 -0.40 -1.63 121.76 127.12 2w2a s ALA 78 Ca -0.06 -1.09 -0.00 0.00 0.00 0.00 0.00 51.96 50.81 2w2a s ALA 78 Cb -0.10 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 2w2a s ALA 78 CO 0.01 -1.18 -0.07 -0.51 0.00 0.00 0.00 175.76 174.01 2w2a s LEU 79 N 1.58 3.13 -0.16 0.00 1.43 0.19 -0.80 118.68 124.06 2w2a s LEU 79 Ca -0.04 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 2w2a s LEU 79 Cb -0.18 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.35 2w2a s LEU 79 CO -0.07 0.29 -0.18 -1.81 0.23 0.00 0.00 176.35 174.81 2w2a s ASP 80 N -0.37 2.90 -0.18 2.29 1.11 0.10 -0.32 116.67 122.21 2w2a s ASP 80 Ca 0.05 -0.56 -0.07 0.00 0.18 0.00 0.00 52.55 52.14 2w2a s ASP 80 Cb -0.12 -1.33 -0.04 0.00 1.07 0.00 0.00 42.92 42.49 2w2a s ASP 80 CO 0.02 -0.01 0.07 -0.36 1.18 0.00 0.00 175.17 176.08 2w2a s PHE 81 N 1.27 3.29 -0.61 4.23 0.40 0.83 -0.36 117.98 127.02 2w2a s PHE 81 Ca 0.02 0.14 0.06 0.00 -0.60 0.00 0.00 56.93 56.56 2w2a s PHE 81 Cb -0.13 -2.07 0.25 0.00 0.51 0.00 0.00 43.02 41.58 2w2a s PHE 81 CO -0.10 0.23 0.73 -1.33 0.70 0.00 0.00 175.22 175.45 2w2a n MET 82 N 3.36 2.38 0.24 0.44 2.81 0.59 -1.76 117.12 125.18 2w2a n MET 82 Ca -0.17 -4.54 0.09 0.00 -1.81 0.00 0.00 57.70 51.27 2w2a n MET 82 Cb 0.52 -2.16 0.61 0.00 -0.71 0.00 0.00 33.22 31.48 2w2a n MET 82 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2w2a h PRO 83 N 4.12 0.00 0.00 0.03 0.13 -1.73 -1.37 132.00 133.18 2w2a h PRO 83 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2w2a h PRO 83 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 2w2a h PRO 83 CO 0.80 0.16 0.00 -0.91 -0.23 0.00 0.00 178.00 177.83 2w2a h ASN 84 N 0.00 0.00 -0.17 1.44 2.35 -1.91 -1.89 115.58 115.40 2w2a h ASN 84 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2w2a h ASN 84 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 2w2a h ASN 84 CO 0.02 0.00 0.00 -0.62 -1.65 0.00 0.00 177.43 175.18 2w2a n GLU 85 N -2.77 2.93 -3.97 0.81 1.02 -0.56 -4.99 120.64 113.11 2w2a n GLU 85 Ca -0.00 -1.77 -0.30 0.00 -0.02 0.00 0.00 57.16 55.06 2w2a n GLU 85 Cb 0.19 -1.13 0.01 0.00 -0.02 0.00 0.00 31.44 30.49 2w2a n GLU 85 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2w2a n LYS 86 N -0.01 -4.81 -4.29 3.49 5.02 -0.71 -4.95 118.16 111.90 2w2a n LYS 86 Ca 0.06 0.54 -0.19 0.00 -2.02 0.00 0.00 58.31 56.69 2w2a n LYS 86 Cb 0.34 -5.31 -0.13 0.00 -0.02 0.00 0.00 35.03 29.91 2w2a n LYS 86 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2w2a s LYS 87 N -6.63 0.89 0.07 1.97 -0.14 -0.99 -0.94 119.74 113.98 2w2a s LYS 87 Ca 0.57 -0.81 0.05 0.00 -1.36 0.00 0.00 55.97 54.42 2w2a s LYS 87 Cb -0.29 -0.90 -0.03 0.00 -1.68 0.00 0.00 37.83 34.93 2w2a s LYS 87 CO 0.85 0.22 -0.13 -1.17 -0.76 0.00 0.00 175.35 174.36 2w2a s LEU 88 N -1.31 2.29 -0.10 3.17 0.20 -0.55 -0.30 118.68 122.07 2w2a s LEU 88 Ca 0.00 -0.63 0.01 0.00 0.69 0.00 0.00 54.13 54.20 2w2a s LEU 88 Cb -0.08 -0.45 0.02 0.00 -0.43 0.00 0.00 46.19 45.25 2w2a s LEU 88 CO 0.02 -0.11 -0.11 -2.28 -0.29 0.00 0.00 176.35 173.57 2w2a s HIS 89 N -1.42 1.68 -0.04 5.38 5.65 0.51 -0.69 115.29 126.36 2w2a s HIS 89 Ca -0.02 -0.79 0.07 0.00 0.25 0.00 0.00 55.06 54.57 2w2a s HIS 89 Cb -0.09 -1.28 -0.02 0.00 -1.18 0.00 0.00 32.58 30.01 2w2a s HIS 89 CO 0.02 -0.46 -0.24 0.20 -0.65 0.00 0.00 174.74 173.61 2w2a s GLY 90 N 1.22 1.31 -0.18 1.59 0.00 -0.52 0.01 107.32 110.75 2w2a s GLY 90 Ca -0.03 -1.08 -0.01 0.00 0.00 0.00 0.00 44.72 43.61 2w2a s GLY 90 CO -0.04 -0.80 -0.14 -1.59 0.00 0.00 0.00 173.10 170.53 2w2a s THR 91 N -0.46 2.69 -0.16 0.90 2.01 0.02 -1.06 115.64 119.57 2w2a s THR 91 Ca 0.05 -0.74 -0.02 0.00 0.31 0.00 0.00 61.69 61.29 2w2a s THR 91 Cb -0.11 -2.16 -0.02 0.00 0.01 0.00 0.00 72.50 70.22 2w2a s THR 91 CO 0.01 0.50 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.73 2w2a s ILE 92 N 1.10 3.39 -0.56 1.82 1.01 -0.71 -1.28 121.20 125.97 2w2a s ILE 92 Ca 0.00 -0.52 -0.09 0.00 0.00 0.00 0.00 60.65 60.04 2w2a s ILE 92 Cb -0.14 -2.48 0.14 0.00 0.01 0.00 0.00 42.46 39.99 2w2a s ILE 92 CO -0.04 0.49 0.43 -0.36 0.00 0.00 0.00 174.94 175.46 2w2a s PHE 93 N 0.66 3.48 0.01 3.97 0.40 0.25 -0.78 117.98 125.97 2w2a s PHE 93 Ca -0.04 -2.08 -0.25 0.00 -0.60 0.00 0.00 56.93 53.96 2w2a s PHE 93 Cb -0.15 -3.49 -0.05 0.00 0.51 0.00 0.00 43.02 39.85 2w2a s PHE 93 CO 0.02 -0.96 0.77 -0.06 0.70 0.00 0.00 175.22 175.69 2w2a s PHE 94 N 0.85 3.68 0.68 0.36 0.08 0.20 -1.92 117.98 121.91 2w2a s PHE 94 Ca 0.10 1.43 -0.17 0.00 0.12 0.00 0.00 56.93 58.41 2w2a s PHE 94 Cb -0.22 -2.84 0.01 0.00 -0.57 0.00 0.00 43.02 39.39 2w2a s PHE 94 CO -0.03 0.19 1.25 -2.14 -0.10 0.00 0.00 175.22 174.40 2w2a s PRO 95 N 0.29 2.41 0.29 0.24 0.02 -1.26 -1.07 135.00 135.92 2w2a s PRO 95 Ca 0.40 1.93 0.04 0.00 0.02 0.00 0.00 61.00 63.39 2w2a s PRO 95 Cb -0.20 -1.84 0.73 0.00 0.02 0.00 0.00 34.50 33.20 2w2a s PRO 95 CO 0.22 -1.67 1.71 -0.22 -0.33 0.00 0.00 177.00 176.71 2w2a h LYS 96 N 0.24 0.45 -0.00 5.54 1.63 -1.06 -1.57 116.57 121.80 2w2a h LYS 96 Ca -0.50 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.24 2w2a h LYS 96 Cb 1.32 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.84 2w2a h LYS 96 CO 0.52 0.30 -0.17 0.11 -3.45 0.00 0.00 179.45 176.76 2w2a h TRP 97 N 0.46 0.00 -0.15 1.91 5.08 -1.40 -0.74 115.95 121.12 2w2a h TRP 97 Ca 0.56 -0.00 -0.18 0.00 1.08 0.00 0.00 58.89 60.35 2w2a h TRP 97 Cb 1.03 -0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.18 2w2a h TRP 97 CO -0.11 0.17 -0.64 0.28 -1.28 0.00 0.00 178.44 176.87 2w2a h VAL 98 N 0.00 1.33 -0.57 0.12 2.07 -1.58 0.30 116.25 117.92 2w2a h VAL 98 Ca -0.00 -1.92 -0.08 0.00 0.82 0.00 0.00 66.70 65.52 2w2a h VAL 98 Cb 0.30 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 2w2a h VAL 98 CO 0.02 0.59 0.05 -0.08 0.02 0.00 0.00 177.57 178.17 2w2a h GLU 99 N 0.41 0.95 -0.04 1.57 4.81 -1.26 -1.80 114.58 119.22 2w2a h GLU 99 Ca -0.01 -0.26 -0.21 0.00 -0.13 0.00 0.00 59.36 58.74 2w2a h GLU 99 Cb 1.20 -0.11 0.02 0.00 0.63 0.00 0.00 28.75 30.49 2w2a h GLU 99 CO 0.12 0.91 -0.81 1.49 -0.73 0.00 0.00 179.01 180.00 2w2a h GLU 100 N 0.89 0.62 -2.14 1.92 4.57 -0.94 -3.38 114.58 116.12 2w2a h GLU 100 Ca 0.17 -0.61 -0.54 0.00 -1.18 0.00 0.00 59.36 57.20 2w2a h GLU 100 Cb 0.46 0.16 -0.41 0.00 -0.16 0.00 0.00 28.75 28.80 2w2a h GLU 100 CO 0.02 1.22 -0.90 0.72 -1.18 0.00 0.00 179.01 178.89 2w2a n HIS 101 N -4.02 2.24 0.26 0.92 8.25 0.10 -4.94 115.22 118.04 2w2a n HIS 101 Ca -0.10 -3.90 0.10 0.00 -0.26 0.00 0.00 57.72 53.56 2w2a n HIS 101 Cb 0.77 -0.45 0.68 0.00 1.12 0.00 0.00 29.99 32.10 2w2a n HIS 101 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2w2a h PRO 102 N 2.99 0.00 -0.04 -0.41 0.13 -1.52 -2.29 132.00 130.85 2w2a h PRO 102 Ca 0.12 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.26 2w2a h PRO 102 Cb 0.73 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 2w2a h PRO 102 CO 0.67 0.08 0.03 1.05 -0.23 0.00 0.00 178.00 179.60 2w2a h GLU 103 N 0.00 0.00 -0.60 0.86 9.09 -1.86 -1.01 114.58 121.05 2w2a h GLU 103 Ca -0.00 0.00 0.04 0.00 0.05 0.00 0.00 59.36 59.45 2w2a h GLU 103 Cb 0.17 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.23 2w2a h GLU 103 CO 0.01 0.00 0.40 0.82 0.05 0.00 0.00 179.01 180.29 2w2a h ILE 104 N 0.00 1.06 -0.00 -1.06 2.04 -1.81 -1.86 117.51 115.88 2w2a h ILE 104 Ca 0.02 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.64 2w2a h ILE 104 Cb 0.08 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 2w2a h ILE 104 CO -0.00 0.13 -0.23 0.35 0.00 0.00 0.00 178.15 178.40 2w2a n THR 105 N -4.47 0.00 -2.75 -0.27 -2.24 -0.39 -4.67 114.28 99.49 2w2a n THR 105 Ca 0.08 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.41 2w2a n THR 105 Cb 0.16 -0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.29 2w2a n THR 105 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2w2a s VAL 106 N -2.83 4.28 0.05 2.28 1.01 -0.70 -4.68 120.40 119.81 2w2a s VAL 106 Ca 0.18 -0.92 -0.27 0.00 0.00 0.00 0.00 61.98 60.96 2w2a s VAL 106 Cb 0.19 -4.88 0.10 0.00 0.00 0.00 0.00 36.38 31.78 2w2a s VAL 106 CO 0.58 -1.69 1.18 0.28 0.00 0.00 0.00 175.10 175.45 2w2a s THR 107 N 4.00 0.00 -0.67 3.92 -1.32 -1.26 -4.83 115.64 115.48 2w2a s THR 107 Ca 0.36 -0.35 -0.27 0.00 -1.21 0.00 0.00 61.69 60.22 2w2a s THR 107 Cb -0.05 -2.49 0.02 0.00 -1.51 0.00 0.00 72.50 68.47 2w2a s THR 107 CO -0.05 0.00 1.38 -0.47 -2.21 0.00 0.00 174.62 173.28 2w2a s TYR 108 N -2.36 2.23 0.43 9.09 5.04 -1.26 -2.48 117.35 128.03 2w2a s TYR 108 Ca 0.20 0.23 0.12 0.00 -2.44 0.00 0.00 57.07 55.18 2w2a s TYR 108 Cb 0.01 -4.49 0.98 0.00 0.35 0.00 0.00 41.96 38.80 2w2a s TYR 108 CO 0.00 -2.04 2.01 0.37 -1.34 0.00 0.00 175.55 174.55 2w2a h GLN 109 N 10.91 0.44 -0.10 4.97 4.15 -1.75 -2.42 115.11 131.31 2w2a h GLN 109 Ca -0.27 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.15 2w2a h GLN 109 Cb 1.08 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.66 2w2a h GLN 109 CO 1.24 0.29 0.12 -0.91 -1.93 0.00 0.00 178.83 177.64 2w2a h ASN 110 N 0.45 0.00 -0.09 -0.69 4.21 -1.90 0.11 115.58 117.66 2w2a h ASN 110 Ca 0.24 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.75 2w2a h ASN 110 Cb 0.35 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.55 2w2a h ASN 110 CO -0.06 0.00 0.00 -0.62 -1.29 0.00 0.00 177.43 175.46 2w2a n GLU 111 N -3.78 1.98 -1.93 0.81 1.02 -0.91 -4.37 120.64 113.46 2w2a n GLU 111 Ca -0.00 -1.45 0.02 0.00 -0.02 0.00 0.00 57.16 55.71 2w2a n GLU 111 Cb 0.22 -1.46 0.03 0.00 -0.02 0.00 0.00 31.44 30.21 2w2a n GLU 111 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2w2a n HIS 112 N 0.72 0.38 -0.05 -0.32 8.25 0.34 -4.92 115.22 119.62 2w2a n HIS 112 Ca 0.17 -1.04 -0.09 0.00 -0.26 0.00 0.00 57.72 56.50 2w2a n HIS 112 Cb 0.46 -0.14 -0.03 0.00 1.12 0.00 0.00 29.99 31.40 2w2a n HIS 112 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 2w2a h ILE 113 N 6.47 0.97 -0.83 1.59 1.08 -1.69 -2.33 117.51 122.77 2w2a h ILE 113 Ca -0.21 -0.07 0.08 0.00 -0.39 0.00 0.00 64.86 64.27 2w2a h ILE 113 Cb 1.68 0.76 -0.07 0.00 -3.07 0.00 0.00 36.82 36.12 2w2a h ILE 113 CO 0.11 0.04 0.49 0.44 -0.69 0.00 0.00 178.15 178.54 2w2a h ASP 114 N 0.20 0.74 -0.83 1.72 3.32 -1.91 -1.44 116.42 118.21 2w2a h ASP 114 Ca 0.09 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2w2a h ASP 114 Cb 0.04 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 2w2a h ASP 114 CO -0.08 0.45 0.47 0.25 -1.72 0.00 0.00 179.24 178.61 2w2a h LEU 115 N 0.86 1.03 -0.42 1.55 5.85 -1.86 0.75 115.31 123.07 2w2a h LEU 115 Ca 0.38 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 2w2a h LEU 115 Cb 0.27 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2w2a h LEU 115 CO -0.21 0.81 0.17 0.24 -0.34 0.00 0.00 178.44 179.12 2w2a h MET 116 N 1.15 0.62 -0.49 1.25 2.86 -0.83 -0.87 114.93 118.64 2w2a h MET 116 Ca 0.30 -0.11 -0.12 0.00 -2.06 0.00 0.00 59.70 57.70 2w2a h MET 116 Cb 0.00 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 2w2a h MET 116 CO -0.05 0.58 -0.18 0.93 1.06 0.00 0.00 176.91 179.25 2w2a h GLU 117 N 0.53 0.96 -0.47 1.72 5.08 -1.00 -1.54 114.58 119.87 2w2a h GLU 117 Ca 0.14 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 2w2a h GLU 117 Cb 0.18 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2w2a h GLU 117 CO -0.01 1.05 0.21 1.96 -1.00 0.00 0.00 179.01 181.21 2w2a h GLN 118 N 0.84 0.68 -0.60 2.33 4.20 -0.77 -3.06 115.11 118.73 2w2a h GLN 118 Ca 0.12 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 2w2a h GLN 118 Cb 0.74 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 2w2a h GLN 118 CO 0.06 0.60 0.26 0.77 -0.67 0.00 0.00 178.83 179.85 2w2a h SER 119 N 0.61 0.82 0.72 1.46 0.02 -0.96 -1.59 113.55 114.63 2w2a h SER 119 Ca 0.16 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2w2a h SER 119 Cb 0.15 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 2w2a h SER 119 CO -0.02 0.75 -0.02 0.08 -1.14 0.00 0.00 176.83 176.48 2w2a h ARG 120 N 0.83 0.00 0.03 3.45 0.11 -1.23 -1.28 114.38 116.30 2w2a h ARG 120 Ca 0.20 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.96 2w2a h ARG 120 Cb 0.17 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.21 2w2a h ARG 120 CO -0.02 0.02 -1.87 0.39 0.10 0.00 0.00 179.97 178.59 2w2a n GLU 121 N -3.15 0.67 0.01 0.08 -0.58 -1.08 -4.50 120.64 112.10 2w2a n GLU 121 Ca -0.00 0.26 -0.18 0.00 -0.42 0.00 0.00 57.16 56.81 2w2a n GLU 121 Cb 0.25 -1.74 -0.11 0.00 -0.57 0.00 0.00 31.44 29.27 2w2a n GLU 121 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2w2a h LYS 122 N 0.02 0.46 -6.81 3.49 3.64 -0.92 -3.47 116.57 112.98 2w2a h LYS 122 Ca -0.35 -0.51 -0.49 0.00 -1.27 0.00 0.00 60.65 58.03 2w2a h LYS 122 Cb 2.04 0.15 0.05 0.00 -0.41 0.00 0.00 32.23 34.05 2w2a h LYS 122 CO 0.07 1.16 -0.02 0.71 -2.27 0.00 0.00 179.45 179.10 2w2a s TYR 123 N -3.19 1.35 0.36 1.91 2.02 -0.52 -5.07 117.35 114.21 2w2a s TYR 123 Ca -0.13 -0.61 -0.26 0.00 -0.37 0.00 0.00 57.07 55.70 2w2a s TYR 123 Cb 0.04 -2.46 -0.09 0.00 -0.40 0.00 0.00 41.96 39.05 2w2a s TYR 123 CO 0.84 -1.40 1.14 0.00 -1.57 0.00 0.00 175.55 174.56 2w2a s ALA 124 N -2.85 3.23 -0.20 3.71 0.00 -1.26 -4.88 121.76 119.51 2w2a s ALA 124 Ca 0.64 0.92 0.11 0.00 0.00 0.00 0.00 51.96 53.62 2w2a s ALA 124 Cb -0.05 -3.35 -0.22 0.00 0.00 0.00 0.00 23.12 19.49 2w2a s ALA 124 CO 0.41 -0.38 0.05 2.41 0.00 0.00 0.00 175.76 178.25 2w2a n THR 125 N 0.38 1.47 -4.47 0.00 -1.04 -1.26 -1.13 114.28 108.23 2w2a n THR 125 Ca 0.03 -0.75 -0.29 0.00 -2.04 0.00 0.00 64.05 61.00 2w2a n THR 125 Cb 0.46 -0.91 -0.13 0.00 -1.82 0.00 0.00 70.33 67.93 2w2a n THR 125 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2w2a s TYR 126 N -2.51 2.32 0.46 -1.42 2.02 -1.26 -0.85 117.35 116.11 2w2a s TYR 126 Ca -0.18 -0.38 -0.20 0.00 -0.37 0.00 0.00 57.07 55.93 2w2a s TYR 126 Cb 0.07 -1.28 -0.10 0.00 -0.40 0.00 0.00 41.96 40.26 2w2a s TYR 126 CO 0.75 0.31 0.99 -1.25 -1.57 0.00 0.00 175.55 174.78 2w2a s PRO 127 N -1.92 4.01 0.44 -1.71 0.04 -1.26 -4.80 135.00 129.79 2w2a s PRO 127 Ca 0.14 1.21 -0.24 0.00 0.04 0.00 0.00 61.00 62.15 2w2a s PRO 127 Cb -0.10 -2.14 -0.08 0.00 0.04 0.00 0.00 34.50 32.22 2w2a s PRO 127 CO 0.05 -0.24 1.16 0.15 0.04 0.00 0.00 177.00 178.17 2w2a s LYS 128 N -3.28 3.88 -0.42 4.56 -0.14 -1.26 -3.70 119.74 119.38 2w2a s LYS 128 Ca 0.64 1.78 -0.19 0.00 -1.36 0.00 0.00 55.97 56.85 2w2a s LYS 128 Cb -0.12 -2.50 0.02 0.00 -1.68 0.00 0.00 37.83 33.55 2w2a s LYS 128 CO 0.18 -0.46 0.53 -1.17 -0.76 0.00 0.00 175.35 173.67 2w2a s LEU 129 N -2.83 4.67 -0.24 3.17 2.96 -0.23 -4.93 118.68 121.24 2w2a s LEU 129 Ca 0.61 -0.48 -0.09 0.00 -0.22 0.00 0.00 54.13 53.95 2w2a s LEU 129 Cb -0.29 -2.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.82 2w2a s LEU 129 CO 0.36 -0.65 0.13 -0.69 -1.32 0.00 0.00 176.35 174.17 2w2a s VAL 130 N 2.43 4.97 -0.48 1.68 1.01 -1.26 -0.63 120.40 128.12 2w2a s VAL 130 Ca 0.17 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.23 2w2a s VAL 130 Cb -0.16 -3.32 0.13 0.00 0.00 0.00 0.00 36.38 33.04 2w2a s VAL 130 CO 0.16 0.34 0.24 -0.69 0.00 0.00 0.00 175.10 175.15 2w2a s VAL 131 N 1.26 2.20 -0.43 2.92 1.01 0.04 -4.98 120.40 122.41 2w2a s VAL 131 Ca 0.06 -3.01 -0.17 0.00 0.00 0.00 0.00 61.98 58.86 2w2a s VAL 131 Cb -0.14 -2.54 0.03 0.00 0.00 0.00 0.00 36.38 33.73 2w2a s VAL 131 CO 0.05 -0.81 0.42 -2.16 0.00 0.00 0.00 175.10 172.60 2w2a s PRO 132 N -0.00 3.06 -0.02 2.72 0.04 -1.26 -1.74 135.00 137.79 2w2a s PRO 132 Ca 0.17 -0.89 -0.04 0.00 0.04 0.00 0.00 61.00 60.28 2w2a s PRO 132 Cb -0.25 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.29 2w2a s PRO 132 CO -0.01 -0.89 0.09 -1.21 0.04 0.00 0.00 177.00 175.02 2w2a s GLU 133 N 2.04 0.21 0.52 4.56 2.02 -0.23 -4.99 118.70 122.83 2w2a s GLU 133 Ca 0.10 -0.06 -0.18 0.00 0.02 0.00 0.00 54.97 54.85 2w2a s GLU 133 Cb -0.18 0.09 -0.07 0.00 0.10 0.00 0.00 34.13 34.07 2w2a s GLU 133 CO 0.12 -0.04 1.02 -0.06 0.02 0.00 0.00 175.26 176.32 2w2a s PHE 134 N -0.42 3.19 0.04 1.61 0.08 -1.26 -1.44 117.98 119.77 2w2a s PHE 134 Ca -0.05 1.52 0.00 0.00 0.12 0.00 0.00 56.93 58.53 2w2a s PHE 134 Cb -0.03 -2.93 -0.03 0.00 -0.57 0.00 0.00 43.02 39.46 2w2a s PHE 134 CO 0.00 -0.67 -0.04 0.00 -0.10 0.00 0.00 175.22 174.41 2w2a s ALA 135 N -2.37 0.36 -0.17 5.36 0.00 0.14 -4.70 121.76 120.38 2w2a s ALA 135 Ca 0.63 -0.81 -0.16 0.00 0.00 0.00 0.00 51.96 51.62 2w2a s ALA 135 Cb -0.13 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 2w2a s ALA 135 CO 0.28 -0.18 0.40 -0.80 0.00 0.00 0.00 175.76 175.46 2w2a s ASN 136 N -1.89 6.50 -0.15 0.00 0.01 -0.39 -1.48 114.94 117.53 2w2a s ASN 136 Ca -0.08 0.59 -0.29 0.00 -0.71 0.00 0.00 52.86 52.37 2w2a s ASN 136 Cb -0.05 -2.24 -0.01 0.00 0.41 0.00 0.00 41.25 39.36 2w2a s ASN 136 CO -0.03 -0.02 1.07 -0.63 -1.51 0.00 0.00 177.10 175.98 2w2a s ILE 137 N 0.96 4.63 -0.63 0.60 1.01 -0.12 -0.43 121.20 127.23 2w2a s ILE 137 Ca 0.20 1.93 0.11 0.00 0.00 0.00 0.00 60.65 62.90 2w2a s ILE 137 Cb -0.14 -4.24 -0.10 0.00 0.01 0.00 0.00 42.46 37.98 2w2a s ILE 137 CO 0.08 -0.08 0.51 0.35 0.00 0.00 0.00 174.94 175.80 2w2a n THR 138 N 4.93 0.00 -3.70 2.92 -2.24 0.01 -4.89 114.28 111.31 2w2a n THR 138 Ca 0.11 -0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 61.51 2w2a n THR 138 Cb 0.47 1.03 -0.10 0.00 -2.10 0.00 0.00 70.33 69.62 2w2a n THR 138 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2w2a s TYR 139 N -1.95 -0.60 -0.08 4.78 5.04 -1.00 -4.96 117.35 118.58 2w2a s TYR 139 Ca 0.05 1.32 -0.01 0.00 -2.44 0.00 0.00 57.07 56.00 2w2a s TYR 139 Cb 0.09 0.26 0.03 0.00 0.35 0.00 0.00 41.96 42.68 2w2a s TYR 139 CO 0.43 -0.32 -0.03 -1.64 -1.34 0.00 0.00 175.55 172.65 2w2a s MET 140 N 1.03 0.87 0.00 4.97 -1.94 -1.26 -1.64 119.30 121.33 2w2a s MET 140 Ca -0.06 -0.02 0.07 0.00 -1.71 0.00 0.00 55.69 53.97 2w2a s MET 140 Cb -0.06 -1.09 -0.02 0.00 2.01 0.00 0.00 34.83 35.66 2w2a s MET 140 CO -0.09 -0.25 -0.23 0.20 -0.01 0.00 0.00 175.02 174.65 2w2a s GLY 141 N 1.70 1.14 -0.84 -0.03 0.00 0.12 -4.95 107.32 104.46 2w2a s GLY 141 Ca 0.02 -1.02 -0.21 0.00 0.00 0.00 0.00 44.72 43.51 2w2a s GLY 141 CO -0.05 -0.88 1.11 -0.35 0.00 0.00 0.00 173.10 172.94 2w2a s ASP 142 N -0.73 6.44 0.16 1.64 -1.08 -1.26 -0.66 116.67 121.17 2w2a s ASP 142 Ca 0.09 -1.55 0.25 0.00 -0.52 0.00 0.00 52.55 50.81 2w2a s ASP 142 Cb -0.09 -2.43 0.49 0.00 -1.46 0.00 0.00 42.92 39.43 2w2a s ASP 142 CO -0.00 -1.27 1.48 0.00 0.52 0.00 0.00 175.17 175.89 2w2a h ALA 143 N 9.25 0.73 -0.63 3.66 0.00 -1.46 -3.47 119.26 127.33 2w2a h ALA 143 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.97 2w2a h ALA 143 Cb 1.04 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2w2a h ALA 143 CO 1.18 0.00 -0.17 0.41 0.00 0.00 0.00 179.25 180.67 2w2a n GLY 144 N 1.32 -2.10 3.87 0.00 0.00 -1.07 -4.74 105.19 102.46 2w2a n GLY 144 Ca 0.04 -1.42 -0.31 0.00 0.00 0.00 0.00 46.02 44.33 2w2a n GLY 144 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2w2a s GLN 145 N -2.27 3.83 -1.47 1.61 -0.21 -1.26 -4.33 119.66 115.55 2w2a s GLN 145 Ca 0.00 0.51 -0.12 0.00 0.02 0.00 0.00 55.36 55.77 2w2a s GLN 145 Cb 0.00 -2.41 0.06 0.00 1.00 0.00 0.00 33.01 31.66 2w2a s GLN 145 CO 0.00 0.01 1.07 0.09 -2.12 0.00 0.00 175.29 174.34 2w2a n ASN 146 N -1.07 -5.44 -4.41 5.90 3.02 0.60 -4.94 115.26 108.93 2w2a n ASN 146 Ca 0.03 -0.69 -0.44 0.00 -0.03 0.00 0.00 54.58 53.44 2w2a n ASN 146 Cb 0.54 -4.32 -0.06 0.00 -0.61 0.00 0.00 39.78 35.33 2w2a n ASN 146 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2w2a s ASN 147 N -3.31 6.19 0.00 6.41 3.84 -1.26 -4.93 114.94 121.88 2w2a s ASN 147 Ca 0.64 -1.18 0.25 0.00 0.21 0.00 0.00 52.86 52.79 2w2a s ASN 147 Cb -0.31 -2.26 1.26 0.00 -0.55 0.00 0.00 41.25 39.39 2w2a s ASN 147 CO 0.79 -0.87 1.85 -0.62 -2.79 0.00 0.00 177.10 175.46 2w2a n GLU 148 N 5.89 0.32 0.11 0.43 -0.58 -1.26 -3.18 120.64 122.37 2w2a n GLU 148 Ca -0.09 0.05 0.03 0.00 -0.42 0.00 0.00 57.16 56.73 2w2a n GLU 148 Cb 0.44 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.81 2w2a n GLU 148 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2w2a h ASP 149 N 0.00 0.00 0.16 1.62 5.19 -1.92 -3.40 116.42 118.07 2w2a h ASP 149 Ca 0.00 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.43 2w2a h ASP 149 Cb 0.26 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.73 2w2a h ASP 149 CO 0.00 0.47 -0.36 0.58 -3.12 0.00 0.00 179.24 176.80 2w2a h VAL 150 N 0.00 0.25 -3.41 -1.35 2.07 -1.82 -3.29 116.25 108.69 2w2a h VAL 150 Ca -0.05 0.00 -0.65 0.00 0.82 0.00 0.00 66.70 66.82 2w2a h VAL 150 Cb 1.40 0.25 -0.40 0.00 -1.52 0.00 0.00 31.29 31.02 2w2a h VAL 150 CO 0.05 0.00 -0.58 -0.63 0.02 0.00 0.00 177.57 176.43 2w2a s ILE 151 N -5.97 2.78 -0.01 4.57 -1.09 -1.26 -4.90 121.20 115.31 2w2a s ILE 151 Ca -0.16 -3.26 0.02 0.00 -2.23 0.00 0.00 60.65 55.01 2w2a s ILE 151 Cb 0.07 -2.91 0.02 0.00 -1.58 0.00 0.00 42.46 38.07 2w2a s ILE 151 CO 0.64 -0.81 0.76 -1.54 -1.23 0.00 0.00 174.94 172.76 2w2a n SER 152 N 3.17 0.55 -3.66 3.58 3.41 -1.24 -4.90 113.62 114.53 2w2a n SER 152 Ca 0.06 -1.59 -0.09 0.00 -0.26 0.00 0.00 58.87 56.99 2w2a n SER 152 Cb 0.33 -0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.18 2w2a n SER 152 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2w2a s GLU 153 N -0.42 1.54 0.65 4.33 -1.05 -1.26 -5.10 118.70 117.39 2w2a s GLU 153 Ca 0.03 -0.75 -0.18 0.00 -0.15 0.00 0.00 54.97 53.92 2w2a s GLU 153 Cb 0.02 0.59 -0.01 0.00 -0.44 0.00 0.00 34.13 34.30 2w2a s GLU 153 CO 0.00 -0.70 1.26 0.00 0.95 0.00 0.00 175.26 176.77 2w2a s ALA 154 N -3.82 2.37 0.54 -0.84 0.00 -1.26 -4.98 121.76 113.77 2w2a s ALA 154 Ca 0.07 1.10 -0.20 0.00 0.00 0.00 0.00 51.96 52.92 2w2a s ALA 154 Cb -0.04 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 2w2a s ALA 154 CO -0.02 -1.54 1.18 -1.25 0.00 0.00 0.00 175.76 174.14 2w2a s PRO 155 N -3.46 3.31 0.18 0.00 0.04 -1.26 -5.06 135.00 128.74 2w2a s PRO 155 Ca 0.80 1.77 0.06 0.00 0.04 0.00 0.00 61.00 63.66 2w2a s PRO 155 Cb -0.34 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.06 2w2a s PRO 155 CO 0.39 -0.92 -0.11 1.52 0.04 0.00 0.00 177.00 177.92 2w2a s TYR 156 N -1.62 1.46 0.18 0.56 -0.85 -1.26 -4.98 117.35 110.83 2w2a s TYR 156 Ca 0.72 -0.70 -0.26 0.00 -0.52 0.00 0.00 57.07 56.31 2w2a s TYR 156 Cb -0.28 -0.73 0.04 0.00 0.38 0.00 0.00 41.96 41.37 2w2a s TYR 156 CO 0.32 0.18 1.55 -0.22 -1.52 0.00 0.00 175.55 175.86 2w2a h LYS 157 N 2.67 -0.12 -0.30 -3.49 3.64 -1.97 -1.33 116.57 115.67 2w2a h LYS 157 Ca -0.37 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 2w2a h LYS 157 Cb 1.20 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2w2a h LYS 157 CO 0.63 -0.08 0.00 0.39 -2.27 0.00 0.00 179.45 178.12 2w2a n GLU 158 N -5.38 1.75 0.04 1.90 -0.58 -1.26 -4.55 120.64 112.57 2w2a n GLU 158 Ca 0.03 -1.16 -0.11 0.00 -0.42 0.00 0.00 57.16 55.50 2w2a n GLU 158 Cb 0.34 -1.29 -0.05 0.00 -0.57 0.00 0.00 31.44 29.87 2w2a n GLU 158 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 2w2a h MET 159 N 1.98 -0.12 -0.97 3.49 4.05 -1.66 -0.49 114.93 121.20 2w2a h MET 159 Ca 0.00 0.01 0.09 0.00 -0.28 0.00 0.00 59.70 59.52 2w2a h MET 159 Cb 0.45 0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 31.20 2w2a h MET 159 CO 0.00 -0.08 0.62 -1.35 0.23 0.00 0.00 176.91 176.33 2w2a h PRO 160 N -0.13 1.01 -0.48 0.39 0.11 -1.81 -0.46 132.00 130.64 2w2a h PRO 160 Ca 0.04 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 2w2a h PRO 160 Cb 0.18 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.04 2w2a h PRO 160 CO -0.10 0.67 0.24 -0.91 -0.21 0.00 0.00 178.00 177.69 2w2a h ASN 161 N 1.04 0.62 -0.96 -2.05 2.35 -1.77 -1.54 115.58 113.28 2w2a h ASN 161 Ca 0.45 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 2w2a h ASN 161 Cb 0.33 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.49 2w2a h ASN 161 CO -0.20 0.56 0.61 0.44 -1.65 0.00 0.00 177.43 177.19 2w2a h ASP 162 N 0.64 1.12 0.07 5.81 3.32 -0.22 0.56 116.42 127.72 2w2a h ASP 162 Ca 0.17 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 2w2a h ASP 162 Cb 0.10 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.37 2w2a h ASP 162 CO -0.02 0.83 -0.03 0.40 -1.72 0.00 0.00 179.24 178.70 2w2a h ILE 163 N 1.31 1.12 -0.30 0.35 2.04 -0.97 0.10 117.51 121.16 2w2a h ILE 163 Ca 0.35 -0.65 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 2w2a h ILE 163 Cb -0.11 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 2w2a h ILE 163 CO -0.07 0.16 -0.04 0.03 0.00 0.00 0.00 178.15 178.23 2w2a h ARG 164 N -0.38 0.46 -0.00 2.37 3.08 -1.11 -2.63 114.38 116.17 2w2a h ARG 164 Ca -0.01 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.94 2w2a h ARG 164 Cb 0.33 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2w2a h ARG 164 CO 0.02 0.52 -0.01 0.09 -1.07 0.00 0.00 179.97 179.52 2w2a n ASN 165 N -4.27 0.25 -0.47 7.04 3.02 0.17 -4.91 115.26 116.10 2w2a n ASN 165 Ca 0.01 -0.99 -0.05 0.00 -0.03 0.00 0.00 54.58 53.52 2w2a n ASN 165 Cb 0.25 -0.03 -0.01 0.00 -0.61 0.00 0.00 39.78 39.38 2w2a n ASN 165 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2w2a n GLY 166 N 1.06 0.53 0.13 7.41 0.00 -0.99 -4.93 105.19 108.40 2w2a n GLY 166 Ca 0.22 -0.77 0.10 0.00 0.00 0.00 0.00 46.02 45.56 2w2a n GLY 166 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2w2a n LYS 167 N -2.32 0.75 -0.10 1.61 5.02 0.33 -4.63 118.16 118.81 2w2a n LYS 167 Ca -0.05 -0.26 -0.24 0.00 -2.02 0.00 0.00 58.31 55.73 2w2a n LYS 167 Cb 0.32 -1.42 -0.11 0.00 -0.02 0.00 0.00 35.03 33.79 2w2a n LYS 167 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 2w2a n TYR 168 N -1.07 0.52 -4.04 2.13 9.36 -0.99 -4.95 117.16 118.12 2w2a n TYR 168 Ca 0.05 0.18 -0.29 0.00 3.32 0.00 0.00 57.90 61.16 2w2a n TYR 168 Cb 0.34 -1.06 -0.06 0.00 -0.63 0.00 0.00 39.34 37.94 2w2a n TYR 168 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 2w2a s PHE 169 N -2.47 3.24 0.43 2.98 0.08 -1.26 -4.65 117.98 116.32 2w2a s PHE 169 Ca -0.33 0.07 -0.06 0.00 0.12 0.00 0.00 56.93 56.73 2w2a s PHE 169 Cb 0.10 -1.60 0.10 0.00 -0.57 0.00 0.00 43.02 41.04 2w2a s PHE 169 CO 0.58 0.53 0.59 -0.40 -0.10 0.00 0.00 175.22 176.42 2w2a n ASP 170 N 0.07 0.16 0.21 1.36 5.68 0.79 -4.89 116.55 119.92 2w2a n ASP 170 Ca -0.08 -1.28 0.16 0.00 -0.50 0.00 0.00 54.79 53.09 2w2a n ASP 170 Cb 0.53 -0.44 0.82 0.00 -1.14 0.00 0.00 41.12 40.89 2w2a n ASP 170 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 2w2a h GLN 171 N 0.00 0.00 -0.58 0.11 4.15 -1.98 -1.40 115.11 115.40 2w2a h GLN 171 Ca -0.19 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.23 2w2a h GLN 171 Cb 0.55 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.24 2w2a h GLN 171 CO 0.14 0.00 0.00 0.09 -1.93 0.00 0.00 178.83 177.13 2w2a n ASN 172 N -3.90 4.58 -2.78 -0.69 3.02 -1.26 -4.94 115.26 109.29 2w2a n ASN 172 Ca 0.01 -2.49 -0.20 0.00 -0.03 0.00 0.00 54.58 51.88 2w2a n ASN 172 Cb 0.30 -0.55 0.04 0.00 -0.61 0.00 0.00 39.78 38.96 2w2a n ASN 172 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2w2a n TYR 173 N 0.89 -1.93 -4.42 3.10 4.19 -0.53 -5.02 117.16 113.44 2w2a n TYR 173 Ca 0.24 0.58 -0.25 0.00 3.31 0.00 0.00 57.90 61.78 2w2a n TYR 173 Cb 0.87 -4.15 -0.09 0.00 0.49 0.00 0.00 39.34 36.45 2w2a n TYR 173 CO 0.00 0.00 0.00 -1.01 0.91 0.00 0.00 176.86 176.76 2w2a s HIS 174 N -3.15 2.50 -0.12 2.98 3.76 -1.26 -4.70 115.29 115.31 2w2a s HIS 174 Ca 0.34 -0.50 -0.19 0.00 -0.15 0.00 0.00 55.06 54.56 2w2a s HIS 174 Cb -0.15 -1.53 -0.04 0.00 1.11 0.00 0.00 32.58 31.97 2w2a s HIS 174 CO 0.42 0.48 0.50 1.03 -0.85 0.00 0.00 174.74 176.32 2w2a s ARG 175 N -3.70 4.34 0.00 1.40 0.52 -1.26 -0.15 118.95 120.10 2w2a s ARG 175 Ca 0.35 0.50 0.13 0.00 -0.52 0.00 0.00 55.73 56.18 2w2a s ARG 175 Cb 0.02 -3.44 0.79 0.00 0.52 0.00 0.00 34.95 32.84 2w2a s ARG 175 CO 0.19 0.13 1.22 -0.11 0.02 0.00 0.00 175.30 176.75