#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a1k n LYS 28 N 0.00 3.03 0.00 0.11 4.81 -1.26 -5.02 118.16 119.83 2a1k n LYS 28 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2a1k n LYS 28 Cb 0.00 -0.28 0.00 0.00 0.02 0.00 0.00 35.03 34.77 2a1k n LYS 28 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2a1k n GLY 29 N 0.51 1.72 3.81 3.14 0.00 -1.26 -5.06 105.19 108.05 2a1k n GLY 29 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2a1k n GLY 29 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2a1k s GLU 30 N -0.92 3.85 -0.07 1.61 2.12 -1.26 -0.89 118.70 123.14 2a1k s GLU 30 Ca 0.00 0.07 -0.03 0.00 0.36 0.00 0.00 54.97 55.37 2a1k s GLU 30 Cb 0.00 -3.28 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 2a1k s GLU 30 CO 0.00 0.57 0.05 -0.46 -0.54 0.00 0.00 175.26 174.88 2a1k s TRP 31 N -0.52 3.28 0.05 5.30 -0.00 -0.67 -4.82 118.94 121.56 2a1k s TRP 31 Ca 0.17 0.27 0.03 0.00 -0.00 0.00 0.00 56.10 56.58 2a1k s TRP 31 Cb -0.13 -1.81 -0.02 0.00 -0.00 0.00 0.00 33.47 31.50 2a1k s TRP 31 CO 0.06 0.55 -0.11 0.15 -0.00 0.00 0.00 176.95 177.60 2a1k s LYS 32 N -1.12 0.67 -0.14 5.86 1.02 -1.26 -4.71 119.74 120.06 2a1k s LYS 32 Ca 0.16 -0.76 -0.29 0.00 0.02 0.00 0.00 55.97 55.09 2a1k s LYS 32 Cb -0.12 -0.57 -0.01 0.00 -0.52 0.00 0.00 37.83 36.61 2a1k s LYS 32 CO 0.05 0.13 1.06 -1.17 -0.92 0.00 0.00 175.35 174.50 2a1k s LEU 33 N -1.41 4.20 -0.20 3.17 2.96 -1.26 -5.00 118.68 121.13 2a1k s LEU 33 Ca -0.05 1.54 -0.20 0.00 -0.22 0.00 0.00 54.13 55.20 2a1k s LEU 33 Cb -0.09 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.03 2a1k s LEU 33 CO 0.01 -0.56 0.61 -0.75 -1.32 0.00 0.00 176.35 174.34 2a1k s LYS 34 N 2.53 4.20 0.49 1.98 2.20 -1.26 -5.06 119.74 124.81 2a1k s LYS 34 Ca 0.49 0.57 -0.02 0.00 -0.36 0.00 0.00 55.97 56.65 2a1k s LYS 34 Cb -0.18 -3.58 -0.01 0.00 -1.51 0.00 0.00 37.83 32.55 2a1k s LYS 34 CO 0.15 -0.24 0.75 -0.51 -0.36 0.00 0.00 175.35 175.13 2a1k s LEU 35 N 1.92 3.55 0.00 5.43 1.43 -1.26 -4.71 118.68 125.04 2a1k s LEU 35 Ca 0.28 0.51 0.05 0.00 -1.03 0.00 0.00 54.13 53.93 2a1k s LEU 35 Cb -0.16 -3.38 0.05 0.00 0.03 0.00 0.00 46.19 42.72 2a1k s LEU 35 CO 0.10 -0.76 0.37 -0.90 0.23 0.00 0.00 176.35 175.39 2a1k n ASP 36 N -2.23 1.08 -0.20 2.29 5.68 -0.08 -4.91 116.55 118.18 2a1k n ASP 36 Ca 0.02 -1.75 -0.01 0.00 -0.50 0.00 0.00 54.79 52.54 2a1k n ASP 36 Cb 0.57 -0.19 0.20 0.00 -1.14 0.00 0.00 41.12 40.56 2a1k n ASP 36 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2a1k h ALA 37 N 0.34 1.33 0.00 2.12 0.00 -2.00 -0.26 119.26 120.79 2a1k h ALA 37 Ca -0.13 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2a1k h ALA 37 Cb 0.60 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2a1k h ALA 37 CO 0.19 0.54 0.00 0.43 0.00 0.00 0.00 179.25 180.41 2a1k n SER 38 N -4.36 0.54 0.00 0.00 7.64 -1.26 -4.84 113.62 111.34 2a1k n SER 38 Ca 0.07 0.64 0.00 0.00 1.01 0.00 0.00 58.87 60.59 2a1k n SER 38 Cb 0.11 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 2a1k n SER 38 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a1k n GLY 39 N -0.12 0.79 3.83 0.23 0.00 -0.11 -4.70 105.19 105.12 2a1k n GLY 39 Ca 0.02 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 2a1k n GLY 39 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2a1k s ASN 40 N -2.61 5.78 -0.19 1.61 0.01 -1.26 -3.80 114.94 114.49 2a1k s ASN 40 Ca 0.00 0.02 -0.28 0.00 -0.71 0.00 0.00 52.86 51.89 2a1k s ASN 40 Cb 0.00 -1.61 0.08 0.00 0.41 0.00 0.00 41.25 40.13 2a1k s ASN 40 CO 0.00 0.11 0.76 -0.83 -1.51 0.00 0.00 177.10 175.63 2a1k s GLY 41 N -2.82 -0.49 -0.10 0.66 0.00 -1.05 -0.90 107.32 102.62 2a1k s GLY 41 Ca 0.32 1.85 -0.16 0.00 0.00 0.00 0.00 44.72 46.73 2a1k s GLY 41 CO 0.24 1.43 0.40 -0.86 0.00 0.00 0.00 173.10 174.31 2a1k s GLN 42 N -0.30 0.59 0.18 2.90 -2.07 -1.25 -0.49 119.66 119.22 2a1k s GLN 42 Ca -0.04 0.30 -0.24 0.00 -1.82 0.00 0.00 55.36 53.56 2a1k s GLN 42 Cb -0.03 0.28 0.05 0.00 -1.09 0.00 0.00 33.01 32.22 2a1k s GLN 42 CO 0.03 -0.12 0.83 0.00 -1.32 0.00 0.00 175.29 174.72 2a1k s ALA 43 N -0.40 -1.52 -0.15 2.60 0.00 -0.29 -4.46 121.76 117.54 2a1k s ALA 43 Ca -0.05 0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.03 2a1k s ALA 43 Cb -0.03 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.82 2a1k s ALA 43 CO 0.03 -0.97 -0.16 0.08 0.00 0.00 0.00 175.76 174.73 2a1k s VAL 44 N -3.53 1.67 0.27 0.00 1.01 0.61 0.50 120.40 120.93 2a1k s VAL 44 Ca 0.10 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.43 2a1k s VAL 44 Cb -0.03 -1.55 -0.06 0.00 0.00 0.00 0.00 36.38 34.75 2a1k s VAL 44 CO 0.01 0.48 -0.05 0.27 0.00 0.00 0.00 175.10 175.81 2a1k s ILE 45 N 1.36 1.51 -0.24 2.22 -4.36 0.18 -0.42 121.20 121.44 2a1k s ILE 45 Ca 0.03 -2.10 -0.01 0.00 -0.26 0.00 0.00 60.65 58.31 2a1k s ILE 45 Cb -0.13 -2.44 0.07 0.00 1.25 0.00 0.00 42.46 41.22 2a1k s ILE 45 CO -0.10 -0.30 0.03 -0.60 0.24 0.00 0.00 174.94 174.22 2a1k s ARG 46 N -3.76 0.92 0.25 0.37 6.06 0.10 -0.01 118.95 122.88 2a1k s ARG 46 Ca 0.29 -0.80 -0.30 0.00 -2.50 0.00 0.00 55.73 52.42 2a1k s ARG 46 Cb 0.04 -2.21 -0.11 0.00 0.06 0.00 0.00 34.95 32.74 2a1k s ARG 46 CO 0.11 -0.75 1.54 -0.06 -2.50 0.00 0.00 175.30 173.64 2a1k s PHE 47 N 1.65 2.91 0.31 5.12 0.40 -1.26 -1.32 117.98 125.79 2a1k s PHE 47 Ca 0.02 0.83 -0.00 0.00 -0.60 0.00 0.00 56.93 57.17 2a1k s PHE 47 Cb -0.18 -3.96 -0.04 0.00 0.51 0.00 0.00 43.02 39.36 2a1k s PHE 47 CO -0.13 -3.25 0.52 -0.51 0.70 0.00 0.00 175.22 172.55 2a1k s LEU 48 N -0.14 4.06 0.98 -0.37 2.01 -0.28 -4.25 118.68 120.69 2a1k s LEU 48 Ca 0.63 0.47 -0.16 0.00 0.01 0.00 0.00 54.13 55.08 2a1k s LEU 48 Cb -0.45 -3.31 0.20 0.00 0.01 0.00 0.00 46.19 42.64 2a1k s LEU 48 CO 0.43 -0.24 1.28 -2.16 1.01 0.00 0.00 176.35 176.67 2a1k s PRO 49 N -4.05 0.51 0.36 1.29 0.04 -1.01 -4.70 135.00 127.44 2a1k s PRO 49 Ca 0.40 -0.31 -0.27 0.00 0.04 0.00 0.00 61.00 60.87 2a1k s PRO 49 Cb -0.10 -1.82 -0.12 0.00 0.04 0.00 0.00 34.50 32.50 2a1k s PRO 49 CO 0.34 -2.52 1.16 0.00 0.04 0.00 0.00 177.00 176.02 2a1k n ALA 50 N -3.86 0.70 -0.03 8.56 0.00 -1.26 -4.76 120.51 119.86 2a1k n ALA 50 Ca 0.14 0.33 -0.05 0.00 0.00 0.00 0.00 53.44 53.86 2a1k n ALA 50 Cb 0.60 -2.16 0.16 0.00 0.00 0.00 0.00 19.45 18.04 2a1k n ALA 50 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2a1k h LYS 51 N 2.13 0.61 -4.92 0.00 3.64 -1.89 -3.45 116.57 112.69 2a1k h LYS 51 Ca -0.44 -0.23 -0.34 0.00 -1.27 0.00 0.00 60.65 58.37 2a1k h LYS 51 Cb 1.31 -0.04 -0.14 0.00 -0.41 0.00 0.00 32.23 32.95 2a1k h LYS 51 CO 0.60 0.79 -0.65 0.99 -2.27 0.00 0.00 179.45 178.92 2a1k s THR 52 N -4.57 0.76 0.44 1.00 2.01 -1.26 -5.03 115.64 108.99 2a1k s THR 52 Ca -0.08 -2.00 0.11 0.00 0.31 0.00 0.00 61.69 60.03 2a1k s THR 52 Cb 0.14 -2.36 0.29 0.00 0.01 0.00 0.00 72.50 70.58 2a1k s THR 52 CO 0.81 -0.28 2.04 0.44 -0.69 0.00 0.00 174.62 176.94 2a1k h ASP 53 N 2.52 0.36 -0.67 3.53 3.32 -2.03 -1.79 116.42 121.66 2a1k h ASP 53 Ca -0.38 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.67 2a1k h ASP 53 Cb 1.22 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.69 2a1k h ASP 53 CO 0.63 0.24 0.00 -0.90 -1.72 0.00 0.00 179.24 177.49 2a1k n ASP 54 N -4.48 4.27 -4.99 6.45 5.75 -1.26 -4.95 116.55 117.35 2a1k n ASP 54 Ca 0.05 -2.24 -0.19 0.00 -0.01 0.00 0.00 54.79 52.39 2a1k n ASP 54 Cb 0.20 -0.53 0.02 0.00 -1.03 0.00 0.00 41.12 39.77 2a1k n ASP 54 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2a1k s ALA 55 N -1.50 4.49 0.12 2.12 0.00 -0.68 -5.13 121.76 121.18 2a1k s ALA 55 Ca 0.49 -1.82 0.09 0.00 0.00 0.00 0.00 51.96 50.73 2a1k s ALA 55 Cb 0.29 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 2a1k s ALA 55 CO 0.28 -0.44 -0.20 -0.51 0.00 0.00 0.00 175.76 174.88 2a1k s LEU 56 N -4.39 2.59 0.15 0.00 1.43 -1.26 -4.80 118.68 112.40 2a1k s LEU 56 Ca 0.54 -0.60 0.23 0.00 -1.03 0.00 0.00 54.13 53.27 2a1k s LEU 56 Cb -0.07 -1.46 0.90 0.00 0.03 0.00 0.00 46.19 45.59 2a1k s LEU 56 CO 0.33 0.18 1.70 -0.81 0.23 0.00 0.00 176.35 177.99 2a1k n PRO 57 N 0.87 0.14 -4.10 1.29 -0.04 -1.26 -4.61 135.00 127.29 2a1k n PRO 57 Ca -0.16 0.28 -0.15 0.00 -0.04 0.00 0.00 63.50 63.43 2a1k n PRO 57 Cb 0.53 -1.72 -0.12 0.00 -0.04 0.00 0.00 33.50 32.15 2a1k n PRO 57 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2a1k s PHE 58 N -3.15 0.81 -0.09 0.54 0.08 -1.26 -4.33 117.98 110.58 2a1k s PHE 58 Ca 0.08 -0.47 0.04 0.00 0.12 0.00 0.00 56.93 56.69 2a1k s PHE 58 Cb 0.11 -0.47 -0.01 0.00 -0.57 0.00 0.00 43.02 42.08 2a1k s PHE 58 CO 0.43 -0.04 -0.21 0.00 -0.10 0.00 0.00 175.22 175.30 2a1k s ALA 59 N -1.30 2.32 -0.19 5.36 0.00 -0.63 -4.96 121.76 122.37 2a1k s ALA 59 Ca -0.07 -0.98 -0.07 0.00 0.00 0.00 0.00 51.96 50.84 2a1k s ALA 59 Cb -0.10 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 2a1k s ALA 59 CO 0.01 0.35 0.06 0.42 0.00 0.00 0.00 175.76 176.60 2a1k s ILE 60 N 0.06 4.67 -0.03 0.00 1.01 -1.26 -1.55 121.20 124.09 2a1k s ILE 60 Ca -0.09 -0.07 0.03 0.00 0.00 0.00 0.00 60.65 60.52 2a1k s ILE 60 Cb -0.15 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.21 2a1k s ILE 60 CO 0.05 0.45 -0.11 -0.22 0.00 0.00 0.00 174.94 175.11 2a1k s LEU 61 N 0.52 1.80 0.11 2.97 2.96 -0.68 -4.92 118.68 121.44 2a1k s LEU 61 Ca 0.03 -0.24 0.08 0.00 -0.22 0.00 0.00 54.13 53.78 2a1k s LEU 61 Cb -0.13 -0.68 -0.04 0.00 0.50 0.00 0.00 46.19 45.84 2a1k s LEU 61 CO 0.01 0.09 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.27 2a1k s VAL 62 N 0.19 2.92 0.21 1.68 1.01 -1.26 -0.35 120.40 124.80 2a1k s VAL 62 Ca -0.04 -1.44 -0.22 0.00 0.00 0.00 0.00 61.98 60.28 2a1k s VAL 62 Cb -0.10 -2.34 0.07 0.00 0.00 0.00 0.00 36.38 34.02 2a1k s VAL 62 CO 0.01 0.12 0.98 0.54 0.00 0.00 0.00 175.10 176.75 2a1k s ASN 63 N -2.09 -0.04 0.11 3.32 6.03 -0.31 -1.52 114.94 120.44 2a1k s ASN 63 Ca 0.18 -0.69 0.09 0.00 -1.03 0.00 0.00 52.86 51.42 2a1k s ASN 63 Cb -0.11 0.55 -0.04 0.00 -3.03 0.00 0.00 41.25 38.63 2a1k s ASN 63 CO 0.10 -1.09 -0.23 -1.00 -2.03 0.00 0.00 177.10 172.85 2a1k s HIS 64 N -2.47 2.01 -0.28 1.54 3.76 -0.40 0.09 115.29 119.54 2a1k s HIS 64 Ca 0.19 -0.40 -0.04 0.00 -0.15 0.00 0.00 55.06 54.66 2a1k s HIS 64 Cb -0.03 -1.10 0.16 0.00 1.11 0.00 0.00 32.58 32.73 2a1k s HIS 64 CO 0.06 0.25 0.56 0.20 -0.85 0.00 0.00 174.74 174.96 2a1k s GLY 65 N -1.92 -0.80 0.06 -2.22 0.00 -1.24 -2.25 107.32 98.94 2a1k s GLY 65 Ca 0.10 1.77 -0.26 0.00 0.00 0.00 0.00 44.72 46.33 2a1k s GLY 65 CO 0.05 3.13 0.70 -0.11 0.00 0.00 0.00 173.10 176.87 2a1k s PHE 66 N 2.80 -0.52 -0.05 1.90 -0.12 -0.84 -4.86 117.98 116.28 2a1k s PHE 66 Ca 0.13 0.52 0.06 0.00 -0.05 0.00 0.00 56.93 57.58 2a1k s PHE 66 Cb -0.14 0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 42.75 2a1k s PHE 66 CO -0.19 -0.71 -0.23 0.21 -0.05 0.00 0.00 175.22 174.26 2a1k s LYS 67 N -2.86 2.49 -0.07 1.99 2.20 -1.26 -1.23 119.74 121.00 2a1k s LYS 67 Ca -0.01 -0.87 -0.14 0.00 -0.36 0.00 0.00 55.97 54.59 2a1k s LYS 67 Cb -0.01 -2.20 0.03 0.00 -1.51 0.00 0.00 37.83 34.15 2a1k s LYS 67 CO -0.06 0.45 0.34 0.15 -0.36 0.00 0.00 175.35 175.87 2a1k s LYS 68 N -0.33 0.55 -1.35 4.03 1.02 0.17 -4.90 119.74 118.93 2a1k s LYS 68 Ca 0.02 0.15 -0.09 0.00 0.02 0.00 0.00 55.97 56.07 2a1k s LYS 68 Cb -0.12 0.25 0.06 0.00 -0.52 0.00 0.00 37.83 37.50 2a1k s LYS 68 CO 0.02 -0.12 0.53 0.09 -0.92 0.00 0.00 175.35 174.95 2a1k n ASN 69 N 2.07 -4.26 -0.41 2.83 3.02 -1.26 -0.10 115.26 117.16 2a1k n ASN 69 Ca -0.17 -0.38 -0.05 0.00 -0.03 0.00 0.00 54.58 53.94 2a1k n ASN 69 Cb 0.57 -3.49 -0.02 0.00 -0.61 0.00 0.00 39.78 36.22 2a1k n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a1k n GLY 70 N -1.26 0.75 3.18 7.41 0.00 -1.26 -5.01 105.19 109.00 2a1k n GLY 70 Ca -0.03 -0.34 -0.21 0.00 0.00 0.00 0.00 46.02 45.44 2a1k n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a1k s LYS 71 N -1.98 0.96 -0.10 1.61 1.02 0.86 -5.14 119.74 116.97 2a1k s LYS 71 Ca 0.00 -0.89 -0.04 0.00 0.02 0.00 0.00 55.97 55.05 2a1k s LYS 71 Cb 0.00 -1.02 -0.04 0.00 -0.52 0.00 0.00 37.83 36.26 2a1k s LYS 71 CO 0.00 0.24 0.07 -1.58 -0.92 0.00 0.00 175.35 173.16 2a1k s TRP 72 N -1.02 3.36 -0.29 3.18 0.52 -1.26 -0.65 118.94 122.77 2a1k s TRP 72 Ca 0.02 0.34 0.02 0.00 0.02 0.00 0.00 56.10 56.50 2a1k s TRP 72 Cb -0.09 -1.86 0.07 0.00 -1.15 0.00 0.00 33.47 30.43 2a1k s TRP 72 CO 0.02 0.58 -0.05 -0.47 0.02 0.00 0.00 176.95 177.05 2a1k s TYR 73 N -0.91 3.37 -0.32 -1.98 6.14 -0.36 -5.01 117.35 118.27 2a1k s TYR 73 Ca 0.14 -2.38 -0.00 0.00 0.64 0.00 0.00 57.07 55.46 2a1k s TYR 73 Cb -0.12 -2.19 0.10 0.00 0.42 0.00 0.00 41.96 40.18 2a1k s TYR 73 CO 0.03 -0.88 0.11 0.42 0.64 0.00 0.00 175.55 175.87 2a1k s ILE 74 N 1.09 0.91 0.07 3.14 1.01 -1.26 -2.00 121.20 124.16 2a1k s ILE 74 Ca -0.04 -1.52 -0.06 0.00 0.00 0.00 0.00 60.65 59.02 2a1k s ILE 74 Cb -0.20 -1.69 -0.01 0.00 0.01 0.00 0.00 42.46 40.57 2a1k s ILE 74 CO -0.05 -0.71 0.12 -1.61 0.00 0.00 0.00 174.94 172.70 2a1k s GLU 75 N 1.48 0.73 0.60 2.79 0.41 -0.95 -5.02 118.70 118.74 2a1k s GLU 75 Ca 0.11 -0.96 -0.15 0.00 -0.41 0.00 0.00 54.97 53.56 2a1k s GLU 75 Cb -0.18 0.29 -0.03 0.00 -1.78 0.00 0.00 34.13 32.42 2a1k s GLU 75 CO -0.22 -0.20 1.05 0.95 -0.49 0.00 0.00 175.26 176.35 2a1k s THR 76 N -3.54 3.90 -0.19 3.63 -4.23 -1.26 -1.27 115.64 112.68 2a1k s THR 76 Ca 0.03 0.86 -0.04 0.00 -1.18 0.00 0.00 61.69 61.36 2a1k s THR 76 Cb 0.04 -3.41 -0.02 0.00 1.34 0.00 0.00 72.50 70.45 2a1k s THR 76 CO -0.09 -0.57 -0.04 0.00 -0.54 0.00 0.00 174.62 173.38 2a1k n SER 78 N 4.22 0.00 0.00 0.00 3.41 -1.26 -1.02 113.62 118.97 2a1k n SER 78 Ca -0.18 0.32 0.10 0.00 -0.26 0.00 0.00 58.87 58.85 2a1k n SER 78 Cb 0.52 -0.32 0.46 0.00 -0.26 0.00 0.00 64.21 64.61 2a1k n SER 78 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2a1k n SER 79 N -1.31 0.00 -0.17 4.04 3.41 -1.10 -1.03 113.62 117.46 2a1k n SER 79 Ca 0.00 0.32 0.05 0.00 -0.26 0.00 0.00 58.87 58.98 2a1k n SER 79 Cb 0.03 -0.43 0.33 0.00 -0.26 0.00 0.00 64.21 63.88 2a1k n SER 79 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2a1k h THR 80 N 0.00 1.07 -0.77 6.66 2.02 -1.39 -0.39 112.91 120.11 2a1k h THR 80 Ca 0.00 -0.27 -0.54 0.00 0.77 0.00 0.00 66.41 66.37 2a1k h THR 80 Cb 0.29 0.20 -0.35 0.00 -1.74 0.00 0.00 68.15 66.55 2a1k h THR 80 CO 0.00 0.15 -0.25 0.00 0.37 0.00 0.00 175.52 175.79 2a1k n HIS 81 N -4.47 2.67 -0.96 3.16 1.44 -1.03 -4.94 115.22 111.09 2a1k n HIS 81 Ca 0.09 -2.38 0.00 0.00 -2.01 0.00 0.00 57.72 53.43 2a1k n HIS 81 Cb 0.17 -0.67 0.00 0.00 0.12 0.00 0.00 29.99 29.60 2a1k n HIS 81 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2a1k n GLY 82 N -0.82 0.30 3.30 -1.39 0.00 -0.16 -4.98 105.19 101.45 2a1k n GLY 82 Ca 0.48 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 46.04 2a1k n GLY 82 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2a1k s ASP 83 N -2.08 6.57 0.37 1.61 2.15 -0.20 -4.86 116.67 120.24 2a1k s ASP 83 Ca 0.00 -2.70 0.20 0.00 0.43 0.00 0.00 52.55 50.48 2a1k s ASP 83 Cb 0.00 -2.17 0.31 0.00 -0.30 0.00 0.00 42.92 40.76 2a1k s ASP 83 CO 0.00 -0.55 1.57 1.88 -0.17 0.00 0.00 175.17 177.90 2a1k h TYR 84 N 7.70 0.00 -0.14 -5.34 -1.99 -1.92 -2.90 116.97 112.38 2a1k h TYR 84 Ca 0.09 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.73 2a1k h TYR 84 Cb 1.03 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.75 2a1k h TYR 84 CO 0.99 0.25 -0.28 -0.44 -0.00 0.00 0.00 178.16 178.68 2a1k h ASP 85 N 0.00 0.27 -0.11 3.88 3.45 -1.95 -3.02 116.42 118.94 2a1k h ASP 85 Ca -0.00 -0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.37 2a1k h ASP 85 Cb 1.13 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 39.83 2a1k h ASP 85 CO 0.03 0.55 0.00 -1.20 -1.57 0.00 0.00 179.24 177.06 2a1k n SER 86 N -4.13 0.73 -4.21 6.45 7.64 -1.24 -4.71 113.62 114.14 2a1k n SER 86 Ca -0.01 -1.81 -0.34 0.00 1.01 0.00 0.00 58.87 57.72 2a1k n SER 86 Cb 0.39 -0.07 -0.15 0.00 -1.01 0.00 0.00 64.21 63.37 2a1k n SER 86 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2a1k h PRO 88 N 8.02 0.36 0.48 0.00 0.11 -1.86 -2.23 132.00 136.87 2a1k h PRO 88 Ca -0.39 -0.12 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 2a1k h PRO 88 Cb 1.13 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2a1k h PRO 88 CO 0.60 0.57 -0.23 0.28 -0.21 0.00 0.00 178.00 179.02 2a1k h VAL 89 N 0.32 0.44 -0.98 3.15 2.07 -1.94 0.83 116.25 120.14 2a1k h VAL 89 Ca 0.05 -0.38 0.15 0.00 0.82 0.00 0.00 66.70 67.34 2a1k h VAL 89 Cb 0.59 0.59 -0.09 0.00 -1.52 0.00 0.00 31.29 30.87 2a1k h VAL 89 CO 0.04 0.06 0.61 0.00 0.02 0.00 0.00 177.57 178.30 2a1k h GLN 91 N 0.83 0.56 0.14 0.00 1.08 -1.15 -0.52 115.11 116.06 2a1k h GLN 91 Ca 0.51 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.60 2a1k h GLN 91 Cb 0.70 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 2a1k h GLN 91 CO -0.28 0.53 -0.07 -0.92 -0.95 0.00 0.00 178.83 177.14 2a1k h TYR 92 N 0.46 -0.18 -0.44 2.96 3.20 1.00 0.16 116.97 124.13 2a1k h TYR 92 Ca 0.13 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.07 2a1k h TYR 92 Cb 0.18 0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.44 2a1k h TYR 92 CO -0.00 0.01 0.03 0.82 -1.64 0.00 0.00 178.16 177.38 2a1k h ILE 93 N -0.34 0.69 0.38 1.81 2.04 -0.00 -1.90 117.51 120.19 2a1k h ILE 93 Ca -0.02 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 2a1k h ILE 93 Cb 0.27 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 2a1k h ILE 93 CO 0.03 0.03 -0.18 -1.28 0.00 0.00 0.00 178.15 176.74 2a1k h SER 94 N 0.14 -0.44 -0.71 1.72 0.87 -0.96 -2.16 113.55 112.01 2a1k h SER 94 Ca 0.22 -0.12 0.20 0.00 -1.23 0.00 0.00 61.79 60.85 2a1k h SER 94 Cb 0.31 0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.35 2a1k h SER 94 CO -0.34 -0.01 0.51 0.11 -0.53 0.00 0.00 176.83 176.57 2a1k h LYS 95 N -0.98 0.05 -0.55 2.24 1.79 -0.66 0.36 116.57 118.83 2a1k h LYS 95 Ca -0.05 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2a1k h LYS 95 Cb 0.53 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 2a1k h LYS 95 CO 0.09 0.03 0.00 0.09 -1.08 0.00 0.00 179.45 178.58 2a1k n ASN 96 N -4.35 3.70 -4.29 0.86 3.02 -0.72 -4.96 115.26 108.52 2a1k n ASN 96 Ca 0.14 -2.00 -0.37 0.00 -0.03 0.00 0.00 54.58 52.32 2a1k n ASN 96 Cb 0.75 -0.36 -0.04 0.00 -0.61 0.00 0.00 39.78 39.51 2a1k n ASN 96 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2a1k n ASP 97 N 1.58 -2.62 -0.27 6.41 2.03 0.12 -4.65 116.55 119.16 2a1k n ASP 97 Ca 0.22 -1.08 0.17 0.00 0.52 0.00 0.00 54.79 54.62 2a1k n ASP 97 Cb 0.62 -2.45 0.46 0.00 -0.72 0.00 0.00 41.12 39.03 2a1k n ASP 97 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2a1k h LEU 98 N -1.38 0.50 -1.67 -2.67 3.38 -1.66 0.40 115.31 112.22 2a1k h LEU 98 Ca -0.60 0.05 0.08 0.00 0.09 0.00 0.00 57.88 57.51 2a1k h LEU 98 Cb 1.39 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 42.06 2a1k h LEU 98 CO 0.80 0.20 0.37 0.22 0.09 0.00 0.00 178.44 180.12 2a1k h TYR 99 N 0.51 0.40 0.00 1.13 3.20 -1.83 0.15 116.97 120.53 2a1k h TYR 99 Ca 0.49 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 62.20 2a1k h TYR 99 Cb 1.07 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 39.17 2a1k h TYR 99 CO -0.00 0.20 -1.95 0.09 -1.64 0.00 0.00 178.16 174.86 2a1k n ASN 100 N -4.47 1.14 -0.00 -2.11 3.02 0.12 -4.41 115.26 108.55 2a1k n ASN 100 Ca 0.08 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.74 2a1k n ASN 100 Cb 0.33 1.24 -0.13 0.00 -0.61 0.00 0.00 39.78 40.61 2a1k n ASN 100 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2a1k n THR 101 N -2.38 0.01 -2.74 3.41 -2.24 0.12 -4.80 114.28 105.66 2a1k n THR 101 Ca -0.17 -0.20 -0.06 0.00 -2.27 0.00 0.00 64.05 61.36 2a1k n THR 101 Cb 0.78 0.59 0.04 0.00 -2.10 0.00 0.00 70.33 69.64 2a1k n THR 101 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2a1k n ASN 102 N -1.80 -2.85 -0.29 3.42 2.85 0.51 -4.99 115.26 112.10 2a1k n ASN 102 Ca 0.01 -2.83 0.02 0.00 -0.11 0.00 0.00 54.58 51.67 2a1k n ASN 102 Cb 0.42 1.62 0.09 0.00 1.24 0.00 0.00 39.78 43.15 2a1k n ASN 102 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 2a1k h LYS 103 N 4.31 -0.02 -0.06 1.20 1.79 -1.74 -1.16 116.57 120.89 2a1k h LYS 103 Ca -0.07 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.43 2a1k h LYS 103 Cb 1.09 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.69 2a1k h LYS 103 CO 0.13 -0.01 -0.47 1.15 -1.08 0.00 0.00 179.45 179.17 2a1k h THR 104 N -0.02 0.00 -0.65 -0.16 2.02 -1.96 -0.87 112.91 111.27 2a1k h THR 104 Ca 0.38 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.67 2a1k h THR 104 Cb 0.61 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.94 2a1k h THR 104 CO -0.86 0.00 0.24 -0.08 0.37 0.00 0.00 175.52 175.19 2a1k h GLU 105 N -0.55 0.40 -0.31 6.66 4.57 -1.72 -1.93 114.58 121.69 2a1k h GLU 105 Ca 0.02 -0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.24 2a1k h GLU 105 Cb 0.61 -0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 29.04 2a1k h GLU 105 CO -0.34 0.26 -0.14 -0.92 -1.18 0.00 0.00 179.01 176.69 2a1k h TYR 106 N 0.41 -0.32 -0.95 0.92 3.20 -0.32 -0.97 116.97 118.94 2a1k h TYR 106 Ca 0.34 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.29 2a1k h TYR 106 Cb 0.45 0.19 -0.06 0.00 1.54 0.00 0.00 36.73 38.85 2a1k h TYR 106 CO -0.18 -0.21 0.61 0.77 -1.64 0.00 0.00 178.16 177.52 2a1k h SER 107 N -0.08 1.00 -0.38 -2.11 0.02 -0.42 0.26 113.55 111.83 2a1k h SER 107 Ca 0.16 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 2a1k h SER 107 Cb 0.33 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 2a1k h SER 107 CO -0.37 0.66 0.05 1.56 -1.14 0.00 0.00 176.83 177.59 2a1k h GLN 108 N 1.15 0.65 0.00 3.45 1.08 -0.99 -3.31 115.11 117.14 2a1k h GLN 108 Ca 0.39 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 2a1k h GLN 108 Cb 0.09 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2a1k h GLN 108 CO -0.15 0.72 -0.82 1.28 -0.95 0.00 0.00 178.83 178.91 2a1k n LEU 109 N -4.52 0.63 -4.58 1.46 4.32 -0.43 -4.56 117.00 109.33 2a1k n LEU 109 Ca -0.01 0.05 -0.38 0.00 -0.02 0.00 0.00 56.01 55.66 2a1k n LEU 109 Cb 0.24 -0.15 0.05 0.00 -1.62 0.00 0.00 43.42 41.95 2a1k n LEU 109 CO 0.39 0.03 0.44 2.29 -1.22 0.00 0.00 177.39 179.32 2a1k n LYS 110 N -1.93 0.82 -1.94 3.23 2.85 0.89 -4.81 118.16 117.27 2a1k n LYS 110 Ca 0.03 0.32 -0.37 0.00 -1.05 0.00 0.00 58.31 57.24 2a1k n LYS 110 Cb 0.42 -2.06 0.03 0.00 -0.65 0.00 0.00 35.03 32.77 2a1k n LYS 110 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 2a1k s ARG 111 N -2.59 3.08 -0.10 -1.58 1.70 -1.26 -4.73 118.95 113.46 2a1k s ARG 111 Ca 0.74 1.98 0.02 0.00 -0.47 0.00 0.00 55.73 58.00 2a1k s ARG 111 Cb -0.43 -2.09 0.01 0.00 -0.57 0.00 0.00 34.95 31.88 2a1k s ARG 111 CO 0.49 -1.16 -0.14 0.15 -1.08 0.00 0.00 175.30 173.56 2a1k s LYS 112 N -3.11 2.00 -0.13 3.89 1.02 0.11 -4.92 119.74 118.60 2a1k s LYS 112 Ca 0.74 -0.49 -0.10 0.00 0.02 0.00 0.00 55.97 56.15 2a1k s LYS 112 Cb -0.34 -1.72 -0.05 0.00 -0.52 0.00 0.00 37.83 35.21 2a1k s LYS 112 CO 0.39 -0.05 0.19 0.99 -0.92 0.00 0.00 175.35 175.95 2a1k s THR 113 N 0.95 5.40 0.36 2.17 2.01 -1.26 -1.16 115.64 124.11 2a1k s THR 113 Ca -0.08 0.32 0.06 0.00 0.31 0.00 0.00 61.69 62.30 2a1k s THR 113 Cb -0.15 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 2a1k s THR 113 CO -0.00 0.54 0.21 -0.94 -0.69 0.00 0.00 174.62 173.74 2a1k s SER 114 N -0.49 2.06 0.09 3.53 1.04 0.52 -4.59 113.70 115.86 2a1k s SER 114 Ca 0.14 -1.71 -0.00 0.00 0.48 0.00 0.00 55.95 54.86 2a1k s SER 114 Cb -0.12 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 2a1k s SER 114 CO 0.04 -1.01 -0.02 -0.31 0.98 0.00 0.00 173.24 172.92 2a1k s TYR 115 N -3.38 0.73 0.05 5.02 2.02 0.54 -1.69 117.35 120.64 2a1k s TYR 115 Ca 0.34 -1.07 0.04 0.00 -0.37 0.00 0.00 57.07 56.01 2a1k s TYR 115 Cb 0.03 -0.46 -0.02 0.00 -0.40 0.00 0.00 41.96 41.10 2a1k s TYR 115 CO 0.22 -0.34 -0.11 -1.58 -1.57 0.00 0.00 175.55 172.16 2a1k s TRP 116 N -3.86 0.98 0.22 2.71 0.52 -0.59 -0.95 118.94 117.97 2a1k s TRP 116 Ca 0.13 -0.42 -0.17 0.00 0.02 0.00 0.00 56.10 55.66 2a1k s TRP 116 Cb 0.07 -0.57 0.02 0.00 -1.15 0.00 0.00 33.47 31.84 2a1k s TRP 116 CO -0.05 0.00 0.54 0.00 0.02 0.00 0.00 176.95 177.46 2a1k s ALA 117 N -1.12 -0.78 -0.13 0.98 0.00 -0.40 -1.60 121.76 118.71 2a1k s ALA 117 Ca -0.04 -0.42 -0.07 0.00 0.00 0.00 0.00 51.96 51.43 2a1k s ALA 117 Cb -0.09 0.91 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 2a1k s ALA 117 CO 0.01 -0.85 0.13 -0.80 0.00 0.00 0.00 175.76 174.25 2a1k s ASN 118 N -2.92 6.31 0.15 0.00 0.01 -1.26 -0.34 114.94 116.89 2a1k s ASN 118 Ca 0.13 0.43 0.02 0.00 -0.71 0.00 0.00 52.86 52.73 2a1k s ASN 118 Cb -0.02 -2.04 -0.04 0.00 0.41 0.00 0.00 41.25 39.56 2a1k s ASN 118 CO 0.02 0.39 -0.02 0.27 -1.51 0.00 0.00 177.10 176.25 2a1k s ILE 119 N -0.90 0.67 -0.22 0.60 -4.36 0.23 -1.12 121.20 116.11 2a1k s ILE 119 Ca 0.14 -1.97 -0.01 0.00 -0.26 0.00 0.00 60.65 58.56 2a1k s ILE 119 Cb -0.12 -1.96 0.02 0.00 1.25 0.00 0.00 42.46 41.65 2a1k s ILE 119 CO 0.03 -0.61 -0.12 -0.22 0.24 0.00 0.00 174.94 174.26 2a1k s LEU 120 N -3.12 2.74 -0.11 0.37 2.96 -0.43 -1.73 118.68 119.35 2a1k s LEU 120 Ca 0.20 -0.74 -0.30 0.00 -0.22 0.00 0.00 54.13 53.07 2a1k s LEU 120 Cb 0.06 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 45.13 2a1k s LEU 120 CO 0.01 -0.06 1.25 -0.69 -1.32 0.00 0.00 176.35 175.53 2a1k s VAL 121 N 1.32 4.24 -0.16 1.68 1.01 -0.64 -0.73 120.40 127.12 2a1k s VAL 121 Ca 0.02 1.53 -0.13 0.00 0.00 0.00 0.00 61.98 63.41 2a1k s VAL 121 Cb -0.15 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 2a1k s VAL 121 CO -0.08 -0.08 -0.24 0.52 0.00 0.00 0.00 175.10 175.23 2a1k n VAL 122 N 5.04 1.45 -4.38 2.92 0.31 0.44 0.43 118.33 124.54 2a1k n VAL 122 Ca 0.13 0.18 -0.25 0.00 -0.01 0.00 0.00 64.34 64.39 2a1k n VAL 122 Cb 0.45 -2.37 -0.17 0.00 -0.91 0.00 0.00 33.84 30.85 2a1k n VAL 122 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2a1k s LYS 123 N -2.51 1.64 -0.43 5.55 3.01 -0.24 -4.48 119.74 122.28 2a1k s LYS 123 Ca -0.21 -0.36 0.04 0.00 -1.01 0.00 0.00 55.97 54.43 2a1k s LYS 123 Cb 0.03 -1.45 0.17 0.00 -1.01 0.00 0.00 37.83 35.58 2a1k s LYS 123 CO 0.31 -0.06 0.36 -3.47 0.51 0.00 0.00 175.35 173.00 2a1k n ASP 124 N 4.14 -0.16 -0.31 2.83 -0.08 -1.26 -0.28 116.55 121.42 2a1k n ASP 124 Ca -0.20 -2.46 0.15 0.00 -1.51 0.00 0.00 54.79 50.77 2a1k n ASP 124 Cb 0.51 -0.57 0.33 0.00 2.34 0.00 0.00 41.12 43.73 2a1k n ASP 124 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2a1k h PRO 125 N 5.51 0.32 0.00 -0.67 0.11 -1.97 -0.49 132.00 134.81 2a1k h PRO 125 Ca 0.25 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.34 2a1k h PRO 125 Cb 0.89 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2a1k h PRO 125 CO 0.40 0.21 0.00 1.96 -0.21 0.00 0.00 178.00 180.36 2a1k h GLN 126 N 0.33 0.00 -0.61 1.05 7.50 -1.90 -3.37 115.11 118.11 2a1k h GLN 126 Ca 0.59 0.00 -0.32 0.00 0.50 0.00 0.00 58.65 59.41 2a1k h GLN 126 Cb 1.18 0.00 -0.22 0.00 0.05 0.00 0.00 27.48 28.49 2a1k h GLN 126 CO -0.58 0.00 -0.68 0.00 -1.50 0.00 0.00 178.83 176.07 2a1k n ALA 127 N -2.04 -0.24 -0.00 3.87 0.00 -0.33 -5.01 120.51 116.77 2a1k n ALA 127 Ca 0.02 -2.01 0.22 0.00 0.00 0.00 0.00 53.44 51.67 2a1k n ALA 127 Cb 0.35 -1.18 0.58 0.00 0.00 0.00 0.00 19.45 19.21 2a1k n ALA 127 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2a1k h PRO 128 N 3.97 0.00 0.00 0.00 0.11 -1.36 -0.89 132.00 133.83 2a1k h PRO 128 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2a1k h PRO 128 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2a1k h PRO 128 CO 0.37 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 177.72 2a1k h ASP 129 N 0.00 0.00 1.38 -2.05 3.32 -1.95 -2.54 116.42 114.57 2a1k h ASP 129 Ca 0.29 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.24 2a1k h ASP 129 Cb 1.87 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.40 2a1k h ASP 129 CO -0.00 0.00 -0.64 0.78 -1.72 0.00 0.00 179.24 177.65 2a1k h ASN 130 N 0.00 0.00 -2.24 6.45 2.35 -1.50 -3.46 115.58 117.17 2a1k h ASN 130 Ca 0.00 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 55.16 2a1k h ASN 130 Cb 0.24 0.00 0.06 0.00 0.05 0.00 0.00 38.32 38.67 2a1k h ASN 130 CO 0.00 0.43 0.79 -0.62 -1.65 0.00 0.00 177.43 176.38 2a1k n GLU 131 N -3.12 2.10 -0.56 0.81 1.02 -0.96 -1.39 120.64 118.54 2a1k n GLU 131 Ca -0.00 0.76 0.00 0.00 -0.02 0.00 0.00 57.16 57.90 2a1k n GLU 131 Cb 0.72 -2.52 0.00 0.00 -0.02 0.00 0.00 31.44 29.62 2a1k n GLU 131 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2a1k n GLY 132 N 3.39 0.86 3.80 0.62 0.00 0.17 -5.00 105.19 109.02 2a1k n GLY 132 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 2a1k n GLY 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a1k s LYS 133 N -0.40 2.86 -0.15 1.61 1.02 -0.49 -4.89 119.74 119.30 2a1k s LYS 133 Ca 0.00 -0.99 -0.07 0.00 0.02 0.00 0.00 55.97 54.93 2a1k s LYS 133 Cb 0.00 -2.57 -0.04 0.00 -0.52 0.00 0.00 37.83 34.69 2a1k s LYS 133 CO 0.00 0.44 0.09 0.08 -0.92 0.00 0.00 175.35 175.04 2a1k s VAL 134 N -1.95 5.07 0.19 3.17 1.01 -1.26 -1.63 120.40 125.01 2a1k s VAL 134 Ca 0.32 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.30 2a1k s VAL 134 Cb -0.09 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 2a1k s VAL 134 CO 0.24 0.53 0.24 -0.36 0.00 0.00 0.00 175.10 175.74 2a1k s PHE 135 N -0.23 0.77 0.14 5.22 0.40 -0.71 -4.95 117.98 118.63 2a1k s PHE 135 Ca 0.09 -1.08 -0.11 0.00 -0.60 0.00 0.00 56.93 55.23 2a1k s PHE 135 Cb -0.12 -0.27 -0.07 0.00 0.51 0.00 0.00 43.02 43.08 2a1k s PHE 135 CO 0.01 -0.73 0.50 -1.59 0.70 0.00 0.00 175.22 174.11 2a1k s LYS 136 N -4.07 3.86 -0.03 0.44 -2.85 -0.07 -0.60 119.74 116.42 2a1k s LYS 136 Ca 0.29 0.32 0.01 0.00 -1.00 0.00 0.00 55.97 55.58 2a1k s LYS 136 Cb 0.04 -2.89 0.02 0.00 -2.06 0.00 0.00 37.83 32.95 2a1k s LYS 136 CO 0.07 0.47 -0.03 -0.47 0.10 0.00 0.00 175.35 175.49 2a1k s TYR 137 N -1.53 0.50 0.09 1.78 5.04 0.54 -1.66 117.35 122.11 2a1k s TYR 137 Ca 0.39 -0.10 0.03 0.00 -2.44 0.00 0.00 57.07 54.95 2a1k s TYR 137 Cb -0.14 -0.47 -0.04 0.00 0.35 0.00 0.00 41.96 41.66 2a1k s TYR 137 CO 0.20 -0.12 0.13 -0.98 -1.34 0.00 0.00 175.55 173.43 2a1k s ARG 138 N 0.69 3.05 0.23 4.97 1.70 -1.26 -1.28 118.95 127.05 2a1k s ARG 138 Ca -0.08 -0.65 -0.22 0.00 -0.47 0.00 0.00 55.73 54.31 2a1k s ARG 138 Cb -0.11 -2.81 0.04 0.00 -0.57 0.00 0.00 34.95 31.50 2a1k s ARG 138 CO -0.01 0.56 0.77 -0.59 -1.08 0.00 0.00 175.30 174.96 2a1k s PHE 139 N -1.48 -0.20 0.00 5.89 -0.12 -0.12 -4.98 117.98 116.96 2a1k s PHE 139 Ca 0.31 -0.19 0.00 0.00 -0.05 0.00 0.00 56.93 57.00 2a1k s PHE 139 Cb -0.12 0.68 0.00 0.00 -0.63 0.00 0.00 43.02 42.95 2a1k s PHE 139 CO 0.24 -1.10 0.00 0.41 -0.05 0.00 0.00 175.22 174.72 2a1k n GLY 140 N -0.45 2.96 0.37 1.99 0.00 -1.26 -0.34 105.19 108.46 2a1k n GLY 140 Ca -0.06 -2.16 0.04 0.00 0.00 0.00 0.00 46.02 43.85 2a1k n GLY 140 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2a1k h LYS 141 N 0.00 1.08 -1.00 1.61 3.64 -1.97 -1.22 116.57 118.71 2a1k h LYS 141 Ca 0.00 -0.07 0.12 0.00 -1.27 0.00 0.00 60.65 59.44 2a1k h LYS 141 Cb 0.00 -0.24 -0.09 0.00 -0.41 0.00 0.00 32.23 31.49 2a1k h LYS 141 CO 0.00 0.72 0.63 0.87 -2.27 0.00 0.00 179.45 179.39 2a1k h LYS 142 N 1.12 0.96 0.05 1.90 1.79 -1.99 0.16 116.57 120.55 2a1k h LYS 142 Ca 0.46 -0.06 -0.31 0.00 -2.18 0.00 0.00 60.65 58.56 2a1k h LYS 142 Cb 0.28 -0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 30.68 2a1k h LYS 142 CO -0.21 0.63 -1.70 0.82 -1.08 0.00 0.00 179.45 177.92 2a1k h ILE 143 N 0.98 0.91 -0.55 1.86 2.04 -1.88 -3.34 117.51 117.54 2a1k h ILE 143 Ca 0.50 -2.68 -0.02 0.00 1.00 0.00 0.00 64.86 63.65 2a1k h ILE 143 Cb 0.50 2.53 -0.03 0.00 -0.74 0.00 0.00 36.82 39.08 2a1k h ILE 143 CO -0.27 0.67 0.25 -0.25 0.00 0.00 0.00 178.15 178.56 2a1k h TRP 144 N 0.03 0.77 -0.22 1.37 2.91 -0.73 -2.14 115.95 117.93 2a1k h TRP 144 Ca -0.29 -0.02 -0.08 0.00 1.13 0.00 0.00 58.89 59.62 2a1k h TRP 144 Cb 2.00 -0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 30.40 2a1k h TRP 144 CO 0.03 0.57 -0.22 -0.44 -1.03 0.00 0.00 178.44 177.35 2a1k h ASP 145 N 0.77 0.39 -0.18 2.65 3.32 -1.11 -1.70 116.42 120.57 2a1k h ASP 145 Ca 0.19 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 57.03 2a1k h ASP 145 Cb 0.10 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2a1k h ASP 145 CO -0.02 0.62 -0.19 0.11 -1.72 0.00 0.00 179.24 178.04 2a1k h LYS 146 N 0.36 0.60 -0.24 3.56 1.57 -1.51 0.27 116.57 121.18 2a1k h LYS 146 Ca 0.06 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.57 2a1k h LYS 146 Cb 0.59 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 2a1k h LYS 146 CO 0.04 0.76 -0.05 0.82 -0.57 0.00 0.00 179.45 180.45 2a1k h ILE 147 N 0.54 1.28 -0.11 1.86 2.04 -1.16 -3.11 117.51 118.85 2a1k h ILE 147 Ca 0.09 -1.03 -0.14 0.00 1.00 0.00 0.00 64.86 64.78 2a1k h ILE 147 Cb 0.63 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 2a1k h ILE 147 CO 0.04 0.32 -0.53 -1.13 0.00 0.00 0.00 178.15 176.85 2a1k h ASN 148 N 0.21 0.34 0.53 1.72 -0.73 -1.11 -2.91 115.58 113.63 2a1k h ASN 148 Ca 0.06 -0.18 -0.00 0.00 1.87 0.00 0.00 56.30 58.05 2a1k h ASN 148 Cb 0.50 -0.10 -0.00 0.00 0.27 0.00 0.00 38.32 38.99 2a1k h ASN 148 CO 0.02 0.81 -0.02 0.00 -0.37 0.00 0.00 177.43 177.87 2a1k h ALA 149 N 1.20 1.04 0.00 1.57 0.00 -0.44 0.25 119.26 122.88 2a1k h ALA 149 Ca 0.01 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 2a1k h ALA 149 Cb 1.02 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2a1k h ALA 149 CO 0.09 0.03 -0.78 0.52 0.00 0.00 0.00 179.25 179.10 2a1k h MET 150 N 0.00 0.00 0.00 0.00 2.86 -1.45 -3.36 114.93 112.98 2a1k h MET 150 Ca -0.00 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.31 2a1k h MET 150 Cb 0.29 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.89 2a1k h MET 150 CO 0.00 0.78 -2.23 1.51 1.06 0.00 0.00 176.91 178.04 2a1k n ILE 151 N -3.56 1.23 -1.89 -1.22 0.13 -0.77 -0.79 119.36 112.49 2a1k n ILE 151 Ca -0.00 -0.64 -0.41 0.00 -1.10 0.00 0.00 62.75 60.59 2a1k n ILE 151 Cb 0.77 -0.84 -0.01 0.00 -0.84 0.00 0.00 39.64 38.72 2a1k n ILE 151 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2a1k n ALA 152 N -2.85 6.20 -2.02 1.51 0.00 0.83 -4.67 120.51 119.51 2a1k n ALA 152 Ca -0.33 -3.99 -0.18 0.00 0.00 0.00 0.00 53.44 48.95 2a1k n ALA 152 Cb 1.01 -3.16 0.02 0.00 0.00 0.00 0.00 19.45 17.32 2a1k n ALA 152 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2a1k s VAL 153 N 1.16 2.77 -0.92 0.00 -7.23 -1.26 -4.85 120.40 110.07 2a1k s VAL 153 Ca 0.51 -0.99 -0.19 0.00 -1.81 0.00 0.00 61.98 59.50 2a1k s VAL 153 Cb 0.14 -2.78 0.13 0.00 0.56 0.00 0.00 36.38 34.44 2a1k s VAL 153 CO -0.06 0.00 1.11 -0.62 -0.31 0.00 0.00 175.10 175.22 2a1k s ASP 154 N -4.43 6.62 0.00 4.85 -1.08 -1.26 -4.84 116.67 116.52 2a1k s ASP 154 Ca 0.57 -2.04 0.19 0.00 -0.52 0.00 0.00 52.55 50.75 2a1k s ASP 154 Cb -0.09 -2.39 0.97 0.00 -1.46 0.00 0.00 42.92 39.95 2a1k s ASP 154 CO 0.35 -1.05 1.60 0.35 0.52 0.00 0.00 175.17 176.94 2a1k n THR 155 N 5.45 0.43 0.08 1.71 -2.24 -1.26 -2.00 114.28 116.44 2a1k n THR 155 Ca 0.23 0.11 -0.09 0.00 -2.27 0.00 0.00 64.05 62.02 2a1k n THR 155 Cb 0.49 -0.79 -0.05 0.00 -2.10 0.00 0.00 70.33 67.89 2a1k n THR 155 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2a1k h GLU 156 N 0.00 0.17 -0.58 -0.78 4.39 -1.90 -3.09 114.58 112.79 2a1k h GLU 156 Ca 0.00 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.49 2a1k h GLU 156 Cb 0.19 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 2a1k h GLU 156 CO 0.00 1.00 0.00 -1.33 -1.16 0.00 0.00 179.01 177.52 2a1k n MET 157 N -3.58 2.64 -0.68 2.33 2.81 -0.92 -4.92 117.12 114.79 2a1k n MET 157 Ca -0.04 -1.97 0.00 0.00 -1.81 0.00 0.00 57.70 53.88 2a1k n MET 157 Cb 0.86 -1.58 0.00 0.00 -0.71 0.00 0.00 33.22 31.79 2a1k n MET 157 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2a1k n GLY 158 N 1.08 0.81 3.76 3.03 0.00 -1.17 -5.02 105.19 107.69 2a1k n GLY 158 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2a1k n GLY 158 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2a1k s GLU 159 N -0.32 4.14 -0.33 1.61 2.02 -0.85 -4.95 118.70 120.02 2a1k s GLU 159 Ca 0.00 2.54 -0.18 0.00 0.02 0.00 0.00 54.97 57.35 2a1k s GLU 159 Cb 0.00 -3.00 -0.01 0.00 0.10 0.00 0.00 34.13 31.22 2a1k s GLU 159 CO 0.00 -0.55 0.53 0.99 0.02 0.00 0.00 175.26 176.25 2a1k s THR 160 N -0.59 5.00 0.74 3.63 2.01 -1.26 -4.29 115.64 120.89 2a1k s THR 160 Ca 0.57 0.49 -0.13 0.00 0.31 0.00 0.00 61.69 62.94 2a1k s THR 160 Cb -0.46 -3.96 0.04 0.00 0.01 0.00 0.00 72.50 68.13 2a1k s THR 160 CO 0.55 -0.17 1.12 -2.16 -0.69 0.00 0.00 174.62 173.27 2a1k s PRO 161 N 2.43 2.29 -0.03 4.92 0.04 -1.26 -4.96 135.00 138.43 2a1k s PRO 161 Ca 0.20 1.36 -0.01 0.00 0.04 0.00 0.00 61.00 62.60 2a1k s PRO 161 Cb -0.15 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.53 2a1k s PRO 161 CO 0.13 -1.64 0.04 0.08 0.04 0.00 0.00 177.00 175.65 2a1k s VAL 162 N -2.56 -0.07 -0.61 -0.36 1.01 0.03 -4.98 120.40 112.86 2a1k s VAL 162 Ca 0.65 0.32 -0.19 0.00 0.00 0.00 0.00 61.98 62.76 2a1k s VAL 162 Cb -0.20 -0.13 0.10 0.00 0.00 0.00 0.00 36.38 36.15 2a1k s VAL 162 CO 0.50 0.14 0.75 -0.62 0.00 0.00 0.00 175.10 175.87 2a1k s ASP 163 N 1.67 6.21 0.45 3.32 -1.08 -1.26 -3.44 116.67 122.53 2a1k s ASP 163 Ca -0.01 -1.43 0.31 0.00 -0.52 0.00 0.00 52.55 50.89 2a1k s ASP 163 Cb -0.12 -2.32 1.57 0.00 -1.46 0.00 0.00 42.92 40.59 2a1k s ASP 163 CO -0.03 -1.14 1.94 -0.37 0.52 0.00 0.00 175.17 176.09 2a1k h VAL 164 N 5.91 0.00 -0.01 1.11 -1.51 -1.88 -2.37 116.25 117.50 2a1k h VAL 164 Ca -0.27 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 2a1k h VAL 164 Cb 1.08 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 31.09 2a1k h VAL 164 CO 1.10 0.00 -0.15 0.35 -1.23 0.00 0.00 177.57 177.64 2a1k n THR 165 N -2.62 0.00 -2.39 7.19 -2.24 -1.26 -2.39 114.28 110.57 2a1k n THR 165 Ca -0.01 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.25 2a1k n THR 165 Cb 0.11 0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.45 2a1k n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a1k h PRO 167 N 6.56 0.00 0.00 0.00 0.11 -1.91 0.38 132.00 137.14 2a1k h PRO 167 Ca -0.42 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.33 2a1k h PRO 167 Cb 1.21 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 2a1k h PRO 167 CO 0.81 0.04 -2.37 0.91 -0.21 0.00 0.00 178.00 177.18 2a1k n TRP 168 N -3.29 0.00 -1.55 0.65 8.01 -1.26 -0.13 117.44 119.88 2a1k n TRP 168 Ca -0.01 0.00 0.06 0.00 -1.31 0.00 0.00 57.50 56.24 2a1k n TRP 168 Cb 0.20 -0.93 0.12 0.00 -2.01 0.00 0.00 31.31 28.70 2a1k n TRP 168 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 2a1k n GLU 169 N -3.17 0.98 -0.05 -0.99 1.02 -1.22 -3.06 120.64 114.15 2a1k n GLU 169 Ca -0.42 -2.43 0.00 0.00 -0.02 0.00 0.00 57.16 54.29 2a1k n GLU 169 Cb 0.96 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 31.20 2a1k n GLU 169 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2a1k n GLY 170 N -0.87 -0.12 3.30 0.62 0.00 0.13 -4.53 105.19 103.73 2a1k n GLY 170 Ca 0.13 -1.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.27 2a1k n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a1k s ALA 171 N -3.49 -1.00 0.52 4.61 0.00 -1.00 -1.72 121.76 119.68 2a1k s ALA 171 Ca 0.00 1.05 -0.20 0.00 0.00 0.00 0.00 51.96 52.80 2a1k s ALA 171 Cb 0.00 -0.56 -0.07 0.00 0.00 0.00 0.00 23.12 22.50 2a1k s ALA 171 CO 0.00 -0.20 1.13 -0.80 0.00 0.00 0.00 175.76 175.88 2a1k s ASN 172 N -0.01 5.91 -0.11 0.00 0.01 -1.26 -4.69 114.94 114.78 2a1k s ASN 172 Ca -0.02 2.17 0.01 0.00 -0.71 0.00 0.00 52.86 54.31 2a1k s ASN 172 Cb -0.03 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 39.03 2a1k s ASN 172 CO 0.01 -1.09 -0.14 0.12 -1.51 0.00 0.00 177.10 174.49 2a1k s PHE 173 N -1.74 2.77 -0.28 2.20 5.36 0.99 -1.18 117.98 126.09 2a1k s PHE 173 Ca 0.70 -0.61 -0.16 0.00 -0.96 0.00 0.00 56.93 55.90 2a1k s PHE 173 Cb -0.24 -1.80 -0.03 0.00 -0.34 0.00 0.00 43.02 40.61 2a1k s PHE 173 CO 0.28 -0.17 0.44 0.08 -1.46 0.00 0.00 175.22 174.39 2a1k s VAL 174 N 0.18 5.12 -0.27 3.12 1.01 0.40 -0.65 120.40 129.31 2a1k s VAL 174 Ca -0.08 0.64 -0.19 0.00 0.00 0.00 0.00 61.98 62.35 2a1k s VAL 174 Cb -0.15 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 2a1k s VAL 174 CO 0.05 0.08 0.57 -0.76 0.00 0.00 0.00 175.10 175.05 2a1k s LEU 175 N 2.19 4.07 -0.09 3.92 1.43 0.18 -1.99 118.68 128.40 2a1k s LEU 175 Ca 0.18 0.56 0.02 0.00 -1.03 0.00 0.00 54.13 53.86 2a1k s LEU 175 Cb -0.16 -2.75 0.01 0.00 0.03 0.00 0.00 46.19 43.33 2a1k s LEU 175 CO 0.10 -0.35 -0.13 -0.54 0.23 0.00 0.00 176.35 175.66 2a1k s LYS 176 N 2.42 1.91 -0.01 1.70 1.02 -1.26 -1.14 119.74 124.38 2a1k s LYS 176 Ca 0.23 -0.46 0.06 0.00 0.02 0.00 0.00 55.97 55.83 2a1k s LYS 176 Cb -0.15 -1.63 -0.02 0.00 -0.52 0.00 0.00 37.83 35.51 2a1k s LYS 176 CO 0.09 -0.03 -0.21 0.08 -0.92 0.00 0.00 175.35 174.36 2a1k s VAL 177 N 0.89 1.64 -0.02 3.17 1.01 0.36 -4.13 120.40 123.32 2a1k s VAL 177 Ca -0.10 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 60.92 2a1k s VAL 177 Cb -0.15 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.86 2a1k s VAL 177 CO 0.01 0.43 0.10 -0.75 0.00 0.00 0.00 175.10 174.88 2a1k s LYS 178 N -0.57 0.26 -0.36 2.72 2.20 -0.10 -2.52 119.74 121.37 2a1k s LYS 178 Ca 0.08 -0.13 -0.27 0.00 -0.36 0.00 0.00 55.97 55.29 2a1k s LYS 178 Cb -0.08 0.11 0.02 0.00 -1.51 0.00 0.00 37.83 36.36 2a1k s LYS 178 CO -0.00 -0.05 0.96 -0.65 -0.36 0.00 0.00 175.35 175.25 2a1k s GLN 179 N -0.60 3.88 -0.16 4.03 -1.52 -1.25 0.11 119.66 124.16 2a1k s GLN 179 Ca -0.07 0.67 0.01 0.00 -1.95 0.00 0.00 55.36 54.02 2a1k s GLN 179 Cb -0.04 -3.79 0.02 0.00 -0.22 0.00 0.00 33.01 28.98 2a1k s GLN 179 CO 0.00 -0.95 -0.16 0.08 -0.25 0.00 0.00 175.29 174.01 2a1k s VAL 180 N 3.54 1.72 -1.53 1.09 1.01 0.12 -4.73 120.40 121.63 2a1k s VAL 180 Ca 0.40 -0.73 -0.14 0.00 0.00 0.00 0.00 61.98 61.51 2a1k s VAL 180 Cb -0.12 -1.59 0.08 0.00 0.00 0.00 0.00 36.38 34.75 2a1k s VAL 180 CO 0.18 0.48 0.97 -1.20 0.00 0.00 0.00 175.10 175.54 2a1k n SER 181 N 4.68 -4.88 0.00 3.32 7.64 -1.26 -0.88 113.62 122.25 2a1k n SER 181 Ca -0.18 -0.75 0.00 0.00 1.01 0.00 0.00 58.87 58.95 2a1k n SER 181 Cb 0.50 -3.90 0.00 0.00 -1.01 0.00 0.00 64.21 59.80 2a1k n SER 181 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a1k n GLY 182 N -1.68 2.86 3.81 0.23 0.00 -1.26 -5.01 105.19 104.14 2a1k n GLY 182 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 2a1k n GLY 182 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a1k s PHE 183 N -3.01 3.09 -0.32 1.61 0.40 -0.05 -5.07 117.98 114.62 2a1k s PHE 183 Ca 0.00 -0.11 -0.28 0.00 -0.60 0.00 0.00 56.93 55.95 2a1k s PHE 183 Cb 0.00 -1.40 0.01 0.00 0.51 0.00 0.00 43.02 42.14 2a1k s PHE 183 CO 0.00 0.53 1.01 -1.12 0.70 0.00 0.00 175.22 176.33 2a1k s SER 184 N -3.73 6.85 -0.18 1.36 0.01 -1.26 0.14 113.70 116.89 2a1k s SER 184 Ca 0.32 0.92 -0.08 0.00 1.31 0.00 0.00 55.95 58.43 2a1k s SER 184 Cb -0.08 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 2a1k s SER 184 CO 0.24 -0.83 0.09 0.21 0.41 0.00 0.00 173.24 173.37 2a1k s ASN 185 N 1.68 5.93 -0.11 2.44 3.84 0.31 -4.90 114.94 124.13 2a1k s ASN 185 Ca 0.42 0.19 0.14 0.00 0.21 0.00 0.00 52.86 53.83 2a1k s ASN 185 Cb -0.12 -2.00 0.43 0.00 -0.55 0.00 0.00 41.25 39.01 2a1k s ASN 185 CO 0.15 0.22 1.35 -1.22 -2.79 0.00 0.00 177.10 174.81 2a1k n TYR 186 N 3.25 0.73 -0.34 0.43 4.01 -1.26 -0.92 117.16 123.06 2a1k n TYR 186 Ca -0.17 -0.73 0.16 0.00 -0.16 0.00 0.00 57.90 57.00 2a1k n TYR 186 Cb 0.53 -0.20 0.37 0.00 -0.31 0.00 0.00 39.34 39.73 2a1k n TYR 186 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2a1k h ASP 187 N 1.81 0.70 0.44 7.72 3.32 -1.94 -0.85 116.42 127.61 2a1k h ASP 187 Ca 0.00 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2a1k h ASP 187 Cb 1.15 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.69 2a1k h ASP 187 CO 0.13 0.19 0.00 -0.62 -1.72 0.00 0.00 179.24 177.22 2a1k n GLU 188 N -4.79 0.50 -2.26 3.56 1.02 -1.26 -4.81 120.64 112.60 2a1k n GLU 188 Ca 0.25 0.02 -0.38 0.00 -0.02 0.00 0.00 57.16 57.03 2a1k n GLU 188 Cb 0.67 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.58 2a1k n GLU 188 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2a1k s SER 189 N -2.47 6.29 0.09 1.62 0.01 -0.33 -4.71 113.70 114.20 2a1k s SER 189 Ca 0.30 2.34 -0.26 0.00 1.31 0.00 0.00 55.95 59.63 2a1k s SER 189 Cb 0.19 -2.61 0.08 0.00 0.21 0.00 0.00 66.02 63.89 2a1k s SER 189 CO 0.41 -0.84 0.93 -1.59 0.41 0.00 0.00 173.24 172.57 2a1k s LYS 190 N -2.54 1.05 0.13 12.44 -2.85 -0.84 -4.96 119.74 122.17 2a1k s LYS 190 Ca 0.61 -0.52 -0.12 0.00 -1.00 0.00 0.00 55.97 54.94 2a1k s LYS 190 Cb -0.30 0.40 -0.07 0.00 -2.06 0.00 0.00 37.83 35.80 2a1k s LYS 190 CO 0.37 -0.47 0.50 -0.06 0.10 0.00 0.00 175.35 175.78 2a1k s PHE 191 N -3.22 3.58 0.08 1.78 0.08 -1.26 -0.45 117.98 118.57 2a1k s PHE 191 Ca 0.09 0.95 0.00 0.00 0.12 0.00 0.00 56.93 58.10 2a1k s PHE 191 Cb -0.01 -2.29 0.02 0.00 -0.57 0.00 0.00 43.02 40.17 2a1k s PHE 191 CO -0.02 0.45 0.12 1.28 -0.10 0.00 0.00 175.22 176.94 2a1k n LEU 192 N 0.75 0.00 -4.75 -0.37 4.77 -0.33 -4.94 117.00 112.14 2a1k n LEU 192 Ca -0.06 -0.27 -0.34 0.00 -0.03 0.00 0.00 56.01 55.32 2a1k n LEU 192 Cb 0.52 -0.07 0.07 0.00 -2.33 0.00 0.00 43.42 41.61 2a1k n LEU 192 CO 0.43 -0.55 0.76 0.20 -1.33 0.00 0.00 177.39 176.90 2a1k s ASN 193 N -1.48 4.63 0.56 -1.43 0.02 -1.26 -4.65 114.94 111.33 2a1k s ASN 193 Ca 0.08 2.17 -0.21 0.00 -1.02 0.00 0.00 52.86 53.88 2a1k s ASN 193 Cb -0.00 -2.57 -0.05 0.00 0.02 0.00 0.00 41.25 38.65 2a1k s ASN 193 CO 0.05 -1.96 1.22 0.00 0.02 0.00 0.00 177.10 176.43 2a1k n GLN 194 N -2.61 1.39 -3.60 -0.60 6.02 -1.26 -4.42 117.38 112.30 2a1k n GLN 194 Ca 0.12 0.52 -0.12 0.00 -0.01 0.00 0.00 57.00 57.50 2a1k n GLN 194 Cb 0.51 -2.42 -0.06 0.00 1.02 0.00 0.00 30.24 29.29 2a1k n GLN 194 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2a1k s SER 195 N -1.04 -0.52 0.40 1.08 1.04 -0.70 -4.99 113.70 108.97 2a1k s SER 195 Ca 0.73 0.82 -0.20 0.00 0.48 0.00 0.00 55.95 57.78 2a1k s SER 195 Cb -0.42 0.77 -0.10 0.00 0.10 0.00 0.00 66.02 66.36 2a1k s SER 195 CO 0.48 -0.30 0.91 0.00 0.98 0.00 0.00 173.24 175.30 2a1k s ALA 196 N -0.37 3.11 0.21 5.32 0.00 -1.17 -4.03 121.76 124.82 2a1k s ALA 196 Ca -0.01 0.34 -0.30 0.00 0.00 0.00 0.00 51.96 51.99 2a1k s ALA 196 Cb -0.03 -3.08 -0.09 0.00 0.00 0.00 0.00 23.12 19.92 2a1k s ALA 196 CO 0.00 0.17 1.29 0.42 0.00 0.00 0.00 175.76 177.65 2a1k s ILE 197 N -2.08 3.24 0.35 0.00 1.01 0.82 -4.94 121.20 119.60 2a1k s ILE 197 Ca 0.59 1.03 -0.28 0.00 0.00 0.00 0.00 60.65 61.99 2a1k s ILE 197 Cb -0.10 -3.66 -0.11 0.00 0.01 0.00 0.00 42.46 38.59 2a1k s ILE 197 CO 0.15 0.16 1.49 -2.65 0.00 0.00 0.00 174.94 174.09 2a1k n PRO 198 N 2.49 2.62 -1.00 2.79 -0.02 -1.26 -1.84 135.00 138.78 2a1k n PRO 198 Ca 0.05 0.92 -0.00 0.00 -2.02 0.00 0.00 63.50 62.46 2a1k n PRO 198 Cb 0.43 -2.65 -0.00 0.00 -0.02 0.00 0.00 33.50 31.26 2a1k n PRO 198 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2a1k n ASN 199 N 0.87 -5.02 0.25 2.55 3.02 -1.26 -4.86 115.26 110.81 2a1k n ASN 199 Ca 0.03 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.66 2a1k n ASN 199 Cb 0.38 -2.52 0.61 0.00 -0.61 0.00 0.00 39.78 37.63 2a1k n ASN 199 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2a1k h ILE 200 N 0.00 1.02 0.00 2.41 6.09 -1.74 -1.17 117.51 124.12 2a1k h ILE 200 Ca -0.00 -0.21 -0.02 0.00 -1.37 0.00 0.00 64.86 63.26 2a1k h ILE 200 Cb 0.67 1.11 -0.00 0.00 0.47 0.00 0.00 36.82 39.07 2a1k h ILE 200 CO 0.00 0.06 -0.08 0.44 -3.07 0.00 0.00 178.15 175.50 2a1k h ASP 201 N 0.00 0.00 -2.88 2.19 3.45 -1.89 -3.41 116.42 113.88 2a1k h ASP 201 Ca -0.00 0.00 -0.56 0.00 0.43 0.00 0.00 57.03 56.90 2a1k h ASP 201 Cb 0.11 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 38.84 2a1k h ASP 201 CO 0.01 0.08 1.01 -0.62 -1.57 0.00 0.00 179.24 178.15 2a1k s ASP 202 N -5.97 6.67 0.32 6.45 2.15 -0.44 -4.91 116.67 120.94 2a1k s ASP 202 Ca 0.02 1.64 0.01 0.00 0.43 0.00 0.00 52.55 54.66 2a1k s ASP 202 Cb 0.08 -2.54 0.57 0.00 -0.30 0.00 0.00 42.92 40.74 2a1k s ASP 202 CO 0.60 -1.01 1.95 -0.08 -0.17 0.00 0.00 175.17 176.46 2a1k h GLU 203 N 9.40 0.94 -0.50 4.34 4.57 -1.85 -0.98 114.58 130.50 2a1k h GLU 203 Ca -0.30 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 57.75 2a1k h GLU 203 Cb 1.13 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 29.49 2a1k h GLU 203 CO 0.99 0.62 0.06 0.66 -1.18 0.00 0.00 179.01 180.16 2a1k h SER 204 N 0.97 0.82 -0.16 1.04 4.64 -1.93 0.28 113.55 119.21 2a1k h SER 204 Ca 0.33 -0.27 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 2a1k h SER 204 Cb 0.10 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 2a1k h SER 204 CO -0.11 0.89 0.05 0.15 -0.87 0.00 0.00 176.83 176.94 2a1k h PHE 205 N 0.72 0.25 -0.78 4.77 3.57 -1.74 -1.58 116.94 122.15 2a1k h PHE 205 Ca 0.15 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 2a1k h PHE 205 Cb 0.43 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 2a1k h PHE 205 CO 0.03 0.36 0.43 0.37 -2.23 0.00 0.00 178.31 177.27 2a1k h GLN 206 N 0.07 1.08 -0.52 1.11 4.15 -1.02 0.64 115.11 120.63 2a1k h GLN 206 Ca 0.05 -0.12 -0.11 0.00 0.77 0.00 0.00 58.65 59.24 2a1k h GLN 206 Cb 0.23 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 2a1k h GLN 206 CO -0.00 0.79 -0.10 0.87 -1.93 0.00 0.00 178.83 178.46 2a1k h LYS 207 N 1.09 0.96 -0.00 1.69 1.79 -0.29 -2.42 116.57 119.38 2a1k h LYS 207 Ca 0.28 -0.34 -0.17 0.00 -2.18 0.00 0.00 60.65 58.24 2a1k h LYS 207 Cb 0.02 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.58 2a1k h LYS 207 CO -0.05 1.01 -0.79 1.49 -1.08 0.00 0.00 179.45 180.03 2a1k h GLU 208 N 0.86 0.05 0.34 3.15 4.57 -0.78 -1.68 114.58 121.09 2a1k h GLU 208 Ca 0.14 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 2a1k h GLU 208 Cb 0.64 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 2a1k h GLU 208 CO 0.04 0.81 -0.16 1.25 -1.18 0.00 0.00 179.01 179.77 2a1k h LEU 209 N 0.03 -0.39 -1.69 1.64 5.85 -0.73 -1.47 115.31 118.56 2a1k h LEU 209 Ca -0.02 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 2a1k h LEU 209 Cb 1.39 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 2a1k h LEU 209 CO 0.11 -0.07 -0.18 -0.26 -0.34 0.00 0.00 178.44 177.70 2a1k h PHE 210 N -0.73 0.00 -0.55 1.25 -1.00 -1.50 -2.69 116.94 111.72 2a1k h PHE 210 Ca -0.05 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.65 2a1k h PHE 210 Cb 0.50 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.04 2a1k h PHE 210 CO 0.01 0.18 0.03 1.49 -1.61 0.00 0.00 178.31 178.41 2a1k h GLU 211 N 0.00 0.96 0.00 1.51 4.57 -1.00 -2.85 114.58 117.77 2a1k h GLU 211 Ca -0.00 -0.29 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 2a1k h GLU 211 Cb 0.43 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2a1k h GLU 211 CO 0.02 0.95 0.00 1.04 -1.18 0.00 0.00 179.01 179.84 2a1k n GLN 212 N -4.28 0.11 -2.40 1.92 6.02 -0.58 -4.81 117.38 113.36 2a1k n GLN 212 Ca 0.02 0.03 -0.41 0.00 -0.01 0.00 0.00 57.00 56.63 2a1k n GLN 212 Cb 0.31 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.04 2a1k n GLN 212 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2a1k s MET 213 N -2.89 4.53 0.41 -1.09 -1.94 -1.08 -4.76 119.30 112.49 2a1k s MET 213 Ca 0.16 1.86 -0.01 0.00 -1.71 0.00 0.00 55.69 56.00 2a1k s MET 213 Cb 0.18 -3.22 -0.02 0.00 2.01 0.00 0.00 34.83 33.77 2a1k s MET 213 CO 0.47 -0.01 0.64 0.14 -0.01 0.00 0.00 175.02 176.25 2a1k s VAL 214 N -0.36 4.64 -0.53 -6.03 -7.23 -1.26 -5.01 120.40 104.61 2a1k s VAL 214 Ca 0.50 -0.35 -0.28 0.00 -1.81 0.00 0.00 61.98 60.05 2a1k s VAL 214 Cb -0.33 -3.72 -0.00 0.00 0.56 0.00 0.00 36.38 32.90 2a1k s VAL 214 CO 0.38 -0.53 1.60 -0.62 -0.31 0.00 0.00 175.10 175.63 2a1k s ASP 215 N -4.12 5.86 0.37 4.85 -1.08 -1.26 -4.90 116.67 116.40 2a1k s ASP 215 Ca 0.45 0.50 0.12 0.00 -0.52 0.00 0.00 52.55 53.10 2a1k s ASP 215 Cb -0.10 -2.54 0.71 0.00 -1.46 0.00 0.00 42.92 39.54 2a1k s ASP 215 CO 0.38 -1.88 1.83 -0.07 0.52 0.00 0.00 175.17 175.95 2a1k h LEU 216 N 14.06 0.01 -1.54 -1.34 3.38 -1.95 -2.30 115.31 125.63 2a1k h LEU 216 Ca -0.28 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2a1k h LEU 216 Cb 1.12 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2a1k h LEU 216 CO 1.16 0.38 0.00 0.77 0.09 0.00 0.00 178.44 180.84 2a1k h SER 217 N 0.01 0.00 -0.17 -0.43 4.64 -1.92 -1.77 113.55 113.91 2a1k h SER 217 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2a1k h SER 217 Cb 0.65 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 2a1k h SER 217 CO 0.05 0.00 0.03 -0.08 -0.87 0.00 0.00 176.83 175.96 2a1k h GLU 218 N 0.00 0.39 0.00 4.77 4.81 -1.82 -1.96 114.58 120.78 2a1k h GLU 218 Ca 0.00 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2a1k h GLU 218 Cb 0.19 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 2a1k h GLU 218 CO 0.00 0.40 -0.04 0.52 -0.73 0.00 0.00 179.01 179.16 2a1k h MET 219 N 0.38 0.00 -0.02 1.92 0.00 -1.49 -3.08 114.93 112.65 2a1k h MET 219 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.79 2a1k h MET 219 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 31.60 31.81 2a1k h MET 219 CO 0.00 0.04 0.00 0.25 0.00 0.00 0.00 176.91 177.21 2a1k n THR 220 N -3.21 1.86 -1.24 2.22 -2.24 -0.77 -4.93 114.28 105.98 2a1k n THR 220 Ca -0.01 -2.16 -0.30 0.00 -2.27 0.00 0.00 64.05 59.32 2a1k n THR 220 Cb 0.26 -0.19 0.14 0.00 -2.10 0.00 0.00 70.33 68.44 2a1k n THR 220 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2a1k s SER 221 N -2.69 3.46 0.32 3.42 1.04 -1.00 -4.91 113.70 113.34 2a1k s SER 221 Ca 0.31 1.42 0.05 0.00 0.48 0.00 0.00 55.95 58.21 2a1k s SER 221 Cb 0.27 -2.11 0.67 0.00 0.10 0.00 0.00 66.02 64.95 2a1k s SER 221 CO 0.03 -2.64 1.86 0.07 0.98 0.00 0.00 173.24 173.54 2a1k h LYS 222 N -1.55 0.84 0.00 4.02 2.10 -1.92 -1.33 116.57 118.73 2a1k h LYS 222 Ca -0.50 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.10 2a1k h LYS 222 Cb 1.29 -0.19 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 2a1k h LYS 222 CO 0.55 0.56 0.00 -0.40 -2.00 0.00 0.00 179.45 178.16 2a1k n ASP 223 N -4.58 0.00 -0.57 7.07 5.75 -1.26 -2.16 116.55 120.80 2a1k n ASP 223 Ca 0.18 0.21 0.08 0.00 -0.01 0.00 0.00 54.79 55.25 2a1k n ASP 223 Cb 0.39 -0.34 0.26 0.00 -1.03 0.00 0.00 41.12 40.40 2a1k n ASP 223 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2a1k n LYS 224 N -1.34 1.73 -4.01 0.11 4.76 -0.50 -4.76 118.16 114.15 2a1k n LYS 224 Ca 0.05 -1.13 -0.26 0.00 -2.87 0.00 0.00 58.31 54.11 2a1k n LYS 224 Cb 0.11 -1.32 -0.17 0.00 -1.84 0.00 0.00 35.03 31.81 2a1k n LYS 224 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2a1k s PHE 225 N -1.67 1.37 0.57 2.13 0.40 -0.92 -4.70 117.98 115.16 2a1k s PHE 225 Ca 0.27 -0.63 -0.16 0.00 -0.60 0.00 0.00 56.93 55.82 2a1k s PHE 225 Cb 0.14 -1.14 -0.05 0.00 0.51 0.00 0.00 43.02 42.48 2a1k s PHE 225 CO 0.20 -0.44 1.03 0.15 0.70 0.00 0.00 175.22 176.86 2a1k s LYS 226 N 1.52 3.55 0.97 0.44 1.02 -1.26 -5.02 119.74 120.96 2a1k s LYS 226 Ca 0.01 1.11 -0.11 0.00 0.02 0.00 0.00 55.97 57.00 2a1k s LYS 226 Cb -0.13 -2.07 0.16 0.00 -0.52 0.00 0.00 37.83 35.27 2a1k s LYS 226 CO -0.06 -0.62 1.03 -1.13 -0.92 0.00 0.00 175.35 173.65 2a1k n SER 227 N -1.89 -0.29 -0.07 2.83 3.41 -1.26 -4.79 113.62 111.56 2a1k n SER 227 Ca 0.08 0.31 -0.10 0.00 -0.26 0.00 0.00 58.87 58.91 2a1k n SER 227 Cb 0.53 -1.41 -0.02 0.00 -0.26 0.00 0.00 64.21 63.05 2a1k n SER 227 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2a1k h PHE 228 N -1.99 0.35 -0.97 7.33 3.57 -1.96 -2.47 116.94 120.79 2a1k h PHE 228 Ca -0.46 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.09 2a1k h PHE 228 Cb 1.28 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.85 2a1k h PHE 228 CO 0.45 0.26 0.63 1.05 -2.23 0.00 0.00 178.31 178.46 2a1k h GLU 229 N 0.34 1.16 -0.25 1.11 9.09 -1.92 0.19 114.58 124.30 2a1k h GLU 229 Ca 0.10 -0.07 -0.04 0.00 0.05 0.00 0.00 59.36 59.40 2a1k h GLU 229 Cb 0.01 -0.26 -0.01 0.00 -1.65 0.00 0.00 28.75 26.83 2a1k h GLU 229 CO -0.02 0.77 -0.00 1.49 0.05 0.00 0.00 179.01 181.30 2a1k h GLU 230 N 1.20 0.45 -0.41 1.06 4.81 -1.87 -1.16 114.58 118.65 2a1k h GLU 230 Ca 0.40 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 2a1k h GLU 230 Cb 0.06 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2a1k h GLU 230 CO -0.14 0.62 0.20 -0.07 -0.73 0.00 0.00 179.01 178.89 2a1k h LEU 231 N 0.23 0.54 -0.80 1.64 3.38 -1.03 -1.93 115.31 117.34 2a1k h LEU 231 Ca 0.07 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2a1k h LEU 231 Cb 0.42 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 2a1k h LEU 231 CO 0.01 0.51 0.45 -1.13 0.09 0.00 0.00 178.44 178.37 2a1k h ASN 232 N 0.52 0.99 -0.03 -0.43 -0.00 -0.55 0.46 115.58 116.55 2a1k h ASN 232 Ca 0.14 -0.09 0.01 0.00 -0.00 0.00 0.00 56.30 56.36 2a1k h ASN 232 Cb 0.12 -0.25 -0.01 0.00 -0.00 0.00 0.00 38.32 38.17 2a1k h ASN 232 CO -0.02 0.80 -0.03 0.74 -0.00 0.00 0.00 177.43 178.92 2a1k h THR 233 N 1.11 0.92 -0.43 -3.57 2.02 -0.96 0.10 112.91 112.10 2a1k h THR 233 Ca 0.28 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.41 2a1k h THR 233 Cb 0.02 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 2a1k h THR 233 CO -0.05 0.00 0.08 0.50 0.37 0.00 0.00 175.52 176.42 2a1k h LYS 234 N -0.04 0.71 -0.35 6.66 3.64 -0.87 -2.30 116.57 124.02 2a1k h LYS 234 Ca 0.02 -0.19 0.04 0.00 -1.27 0.00 0.00 60.65 59.26 2a1k h LYS 234 Cb 0.07 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 2a1k h LYS 234 CO -0.05 0.73 0.11 0.35 -2.27 0.00 0.00 179.45 178.33 2a1k h PHE 235 N 0.57 0.20 -0.75 1.91 3.57 0.22 -1.24 116.94 121.42 2a1k h PHE 235 Ca 0.13 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 2a1k h PHE 235 Cb 0.37 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 2a1k h PHE 235 CO 0.02 0.08 0.33 -0.91 -2.23 0.00 0.00 178.31 175.61 2a1k h ASN 236 N 0.26 0.99 0.20 0.41 2.35 -0.68 -0.34 115.58 118.77 2a1k h ASN 236 Ca 0.16 -0.13 -0.10 0.00 -0.55 0.00 0.00 56.30 55.68 2a1k h ASN 236 Cb 0.14 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 2a1k h ASN 236 CO -0.17 0.86 -0.38 0.06 -1.65 0.00 0.00 177.43 176.15 2a1k h GLN 237 N 1.07 0.24 -0.24 0.81 3.07 -0.98 0.42 115.11 119.50 2a1k h GLN 237 Ca 0.26 -0.11 -0.09 0.00 0.09 0.00 0.00 58.65 58.80 2a1k h GLN 237 Cb 0.15 -0.01 -0.00 0.00 0.08 0.00 0.00 27.48 27.70 2a1k h GLN 237 CO -0.03 0.59 -0.19 0.28 0.09 0.00 0.00 178.83 179.57 2a1k h VAL 238 N 0.21 1.31 0.00 1.86 2.07 -0.57 -2.91 116.25 118.23 2a1k h VAL 238 Ca 0.02 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.21 2a1k h VAL 238 Cb 0.76 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 2a1k h VAL 238 CO 0.06 0.41 0.00 -0.07 0.02 0.00 0.00 177.57 177.99 2a1k h LEU 239 N 0.27 0.00 0.00 2.57 3.38 -0.91 -3.38 115.31 117.24 2a1k h LEU 239 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2a1k h LEU 239 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2a1k h LEU 239 CO 0.05 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.19 2a1k n GLY 240 N 1.00 0.63 3.77 0.83 0.00 0.12 -4.99 105.19 106.55 2a1k n GLY 240 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2a1k n GLY 240 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73