#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m4w h ALA 26 N 0.00 0.45 -0.27 3.55 0.00 -2.01 -3.34 119.26 117.64 3m4w h ALA 26 Ca 0.00 -0.85 0.03 0.00 0.00 0.00 0.00 54.91 54.09 3m4w h ALA 26 Cb 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 3m4w h ALA 26 CO 0.00 1.17 -0.38 0.77 0.00 0.00 0.00 179.25 180.81 3m4w h SER 27 N 0.00 -1.26 -1.09 0.00 0.02 -1.99 0.23 113.55 109.47 3m4w h SER 27 Ca -0.01 0.16 0.32 0.00 -0.84 0.00 0.00 61.79 61.42 3m4w h SER 27 Cb 1.66 0.51 -0.12 0.00 0.14 0.00 0.00 62.40 64.60 3m4w h SER 27 CO 0.12 -0.27 0.68 1.23 -1.14 0.00 0.00 176.83 177.45 3m4w h GLY 28 N -0.27 1.52 0.97 -3.77 0.00 -1.85 0.35 103.07 100.01 3m4w h GLY 28 Ca 0.05 -0.20 -0.18 0.00 0.00 0.00 0.00 47.33 46.99 3m4w h GLY 28 CO -0.40 -0.29 -0.67 0.00 0.00 0.00 0.00 176.54 175.17 3m4w h ALA 29 N 1.68 0.18 -0.83 3.60 0.00 -1.26 -2.79 119.26 119.84 3m4w h ALA 29 Ca 0.69 -0.57 0.10 0.00 0.00 0.00 0.00 54.91 55.12 3m4w h ALA 29 Cb 1.77 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.49 3m4w h ALA 29 CO -0.42 0.49 0.47 -0.07 0.00 0.00 0.00 179.25 179.72 3m4w h LEU 30 N 0.20 0.67 -1.07 0.00 3.38 0.28 0.07 115.31 118.83 3m4w h LEU 30 Ca -0.06 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3m4w h LEU 30 Cb 1.33 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 3m4w h LEU 30 CO 0.14 0.38 0.05 -0.07 0.09 0.00 0.00 178.44 179.02 3m4w h LEU 31 N 0.78 0.67 -0.52 1.67 3.38 -1.02 0.12 115.31 120.39 3m4w h LEU 31 Ca 0.40 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 58.12 3m4w h LEU 31 Cb 0.38 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3m4w h LEU 31 CO -0.25 0.71 -0.15 1.56 0.09 0.00 0.00 178.44 180.39 3m4w h GLN 32 N 0.68 1.03 -0.11 1.13 4.20 -0.86 -1.40 115.11 119.78 3m4w h GLN 32 Ca 0.14 -0.40 -0.00 0.00 0.06 0.00 0.00 58.65 58.45 3m4w h GLN 32 Cb 0.35 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3m4w h GLN 32 CO 0.01 1.09 0.06 1.96 -0.67 0.00 0.00 178.83 181.28 3m4w h GLN 33 N 0.90 0.15 -0.80 1.46 4.20 -0.29 0.08 115.11 120.81 3m4w h GLN 33 Ca 0.13 -0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.92 3m4w h GLN 33 Cb 0.73 -0.03 -0.08 0.00 0.30 0.00 0.00 27.48 28.40 3m4w h GLN 33 CO 0.06 0.20 0.44 1.98 -0.67 0.00 0.00 178.83 180.84 3m4w h MET 34 N 0.07 0.70 -0.40 1.46 4.05 -0.64 0.25 114.93 120.42 3m4w h MET 34 Ca 0.04 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.36 3m4w h MET 34 Cb 0.09 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.72 3m4w h MET 34 CO -0.01 0.46 0.02 -0.97 0.23 0.00 0.00 176.91 176.65 3m4w h ASN 35 N 0.72 0.66 -0.44 1.39 -0.73 -0.92 -2.41 115.58 113.85 3m4w h ASN 35 Ca 0.40 -0.29 -0.02 0.00 1.87 0.00 0.00 56.30 58.25 3m4w h ASN 35 Cb 0.42 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.81 3m4w h ASN 35 CO -0.27 0.79 0.18 0.25 -0.37 0.00 0.00 177.43 178.01 3m4w h LEU 36 N 0.52 0.61 -0.96 0.34 5.85 0.02 -2.51 115.31 119.17 3m4w h LEU 36 Ca 0.12 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.73 3m4w h LEU 36 Cb 0.44 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 3m4w h LEU 36 CO 0.02 0.60 0.62 0.00 -0.34 0.00 0.00 178.44 179.33 3m4w h ALA 37 N 1.03 1.30 0.00 1.25 0.00 -0.48 0.43 119.26 122.79 3m4w h ALA 37 Ca 0.15 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3m4w h ALA 37 Cb 0.18 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3m4w h ALA 37 CO -0.01 0.45 -0.09 0.77 0.00 0.00 0.00 179.25 180.37 3m4w h SER 38 N 1.16 0.00 0.00 0.00 0.02 -1.00 -1.17 113.55 112.57 3m4w h SER 38 Ca 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 3m4w h SER 38 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 3m4w h SER 38 CO -0.15 0.09 -1.35 0.00 -1.14 0.00 0.00 176.83 174.28 3m4w n GLN 39 N -4.12 0.46 -0.12 3.45 6.02 -0.72 -4.69 117.38 117.66 3m4w n GLN 39 Ca -0.03 -0.08 -0.21 0.00 -0.01 0.00 0.00 57.00 56.68 3m4w n GLN 39 Cb 0.17 -1.47 -0.10 0.00 1.02 0.00 0.00 30.24 29.86 3m4w n GLN 39 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3m4w n SER 40 N -1.77 1.99 -4.81 1.08 7.64 0.06 -4.92 113.62 112.89 3m4w n SER 40 Ca 0.01 0.07 -0.32 0.00 1.01 0.00 0.00 58.87 59.64 3m4w n SER 40 Cb 0.40 -0.53 0.04 0.00 -1.01 0.00 0.00 64.21 63.11 3m4w n SER 40 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3m4w s LEU 41 N -6.81 3.23 -0.20 -3.43 1.43 -0.47 -4.75 118.68 107.68 3m4w s LEU 41 Ca -0.33 1.71 -0.12 0.00 -1.03 0.00 0.00 54.13 54.36 3m4w s LEU 41 Cb 0.10 -4.51 -0.05 0.00 0.03 0.00 0.00 46.19 41.77 3m4w s LEU 41 CO 0.49 -1.44 0.21 0.20 0.23 0.00 0.00 176.35 176.04 3m4w s ASN 42 N -3.43 6.27 0.19 2.29 0.02 -1.26 -4.32 114.94 114.70 3m4w s ASN 42 Ca 0.60 0.31 -0.23 0.00 -1.02 0.00 0.00 52.86 52.51 3m4w s ASN 42 Cb -0.15 -2.13 0.06 0.00 0.02 0.00 0.00 41.25 39.04 3m4w s ASN 42 CO 0.50 0.10 0.94 -0.72 0.02 0.00 0.00 177.10 177.93 3m4w s TYR 43 N 0.67 -0.08 -0.03 2.20 -0.85 0.49 -1.39 117.35 118.35 3m4w s TYR 43 Ca 0.11 -0.28 -0.01 0.00 -0.52 0.00 0.00 57.07 56.37 3m4w s TYR 43 Cb -0.13 0.67 0.03 0.00 0.38 0.00 0.00 41.96 42.92 3m4w s TYR 43 CO 0.02 -0.94 0.05 -2.00 -1.52 0.00 0.00 175.55 171.16 3m4w s GLU 44 N -3.10 -0.03 -0.14 -3.49 2.12 -0.86 -0.70 118.70 112.50 3m4w s GLU 44 Ca 0.14 0.29 -0.00 0.00 0.36 0.00 0.00 54.97 55.76 3m4w s GLU 44 Cb -0.02 -0.43 -0.01 0.00 0.26 0.00 0.00 34.13 33.93 3m4w s GLU 44 CO 0.04 -0.26 -0.14 -0.51 -0.54 0.00 0.00 175.26 173.85 3m4w s LEU 45 N 1.73 2.63 -0.35 2.70 1.43 -0.16 -2.18 118.68 124.48 3m4w s LEU 45 Ca -0.01 -0.38 -0.06 0.00 -1.03 0.00 0.00 54.13 52.65 3m4w s LEU 45 Cb -0.12 -1.60 0.05 0.00 0.03 0.00 0.00 46.19 44.55 3m4w s LEU 45 CO -0.03 0.13 0.11 -0.44 0.23 0.00 0.00 176.35 176.35 3m4w s SER 46 N 0.56 5.30 0.31 2.29 0.01 0.13 -0.56 113.70 121.74 3m4w s SER 46 Ca -0.09 -1.23 0.03 0.00 1.31 0.00 0.00 55.95 55.98 3m4w s SER 46 Cb -0.16 -1.86 -0.04 0.00 0.21 0.00 0.00 66.02 64.17 3m4w s SER 46 CO 0.04 -0.35 0.15 0.72 0.41 0.00 0.00 173.24 174.21 3m4w s PHE 47 N 1.38 1.63 0.17 2.43 -0.12 -0.44 -0.56 117.98 122.47 3m4w s PHE 47 Ca -0.01 -1.34 0.10 0.00 -0.05 0.00 0.00 56.93 55.63 3m4w s PHE 47 Cb -0.20 -0.91 -0.04 0.00 -0.63 0.00 0.00 43.02 41.24 3m4w s PHE 47 CO 0.02 -0.47 -0.23 0.96 -0.05 0.00 0.00 175.22 175.45 3m4w s ILE 48 N -3.56 2.15 -0.20 -4.49 -4.36 0.14 -0.53 121.20 110.36 3m4w s ILE 48 Ca 0.35 -1.91 0.01 0.00 -0.26 0.00 0.00 60.65 58.84 3m4w s ILE 48 Cb 0.05 -1.98 0.04 0.00 1.25 0.00 0.00 42.46 41.82 3m4w s ILE 48 CO 0.17 -0.12 -0.13 -0.55 0.24 0.00 0.00 174.94 174.55 3m4w s SER 49 N -2.49 3.38 -0.18 4.36 0.15 0.91 -1.55 113.70 118.29 3m4w s SER 49 Ca 0.17 -0.85 -0.03 0.00 0.70 0.00 0.00 55.95 55.93 3m4w s SER 49 Cb -0.08 -1.31 -0.02 0.00 -1.71 0.00 0.00 66.02 62.90 3m4w s SER 49 CO 0.08 -0.11 -0.05 -0.63 1.20 0.00 0.00 173.24 173.73 3m4w s ILE 50 N 1.35 3.55 0.00 6.45 1.01 -0.02 -0.74 121.20 132.81 3m4w s ILE 50 Ca -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.19 3m4w s ILE 50 Cb -0.16 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 39.74 3m4w s ILE 50 CO -0.09 0.46 0.00 -0.46 0.00 0.00 0.00 174.94 174.85 3m4w n ASN 51 N 4.15 0.00 0.16 3.58 0.23 -0.80 -1.00 115.26 121.58 3m4w n ASN 51 Ca -0.18 -0.42 0.13 0.00 -0.53 0.00 0.00 54.58 53.59 3m4w n ASN 51 Cb 0.52 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.70 3m4w n ASN 51 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3m4w h LYS 52 N 0.00 0.00 0.00 -3.83 1.79 -1.95 -2.83 116.57 109.75 3m4w h LYS 52 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3m4w h LYS 52 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3m4w h LYS 52 CO 0.00 0.00 -0.27 1.96 -1.08 0.00 0.00 179.45 180.06 3m4w h GLN 53 N 0.00 0.00 0.00 3.15 7.50 -1.96 -3.50 115.11 120.30 3m4w h GLN 53 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3m4w h GLN 53 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.05 3m4w h GLN 53 CO 0.00 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 177.74 3m4w n GLY 54 N 1.19 0.74 3.11 3.46 0.00 -1.07 -5.06 105.19 107.56 3m4w n GLY 54 Ca 0.03 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 43.96 3m4w n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m4w s VAL 55 N -2.92 2.48 -0.18 1.61 1.01 -1.26 -1.90 120.40 119.24 3m4w s VAL 55 Ca 0.00 -1.51 -0.07 0.00 0.00 0.00 0.00 61.98 60.39 3m4w s VAL 55 Cb 0.00 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 3m4w s VAL 55 CO 0.00 -0.04 0.07 -0.70 0.00 0.00 0.00 175.10 174.43 3m4w s GLU 56 N 1.17 3.94 -0.23 2.72 2.12 0.08 -4.90 118.70 123.59 3m4w s GLU 56 Ca -0.07 -0.33 -0.20 0.00 0.36 0.00 0.00 54.97 54.73 3m4w s GLU 56 Cb -0.20 -3.21 -0.02 0.00 0.26 0.00 0.00 34.13 30.96 3m4w s GLU 56 CO -0.04 0.31 0.59 0.45 -0.54 0.00 0.00 175.26 176.03 3m4w s SER 57 N 0.27 6.59 0.18 -1.70 0.15 -1.26 -0.06 113.70 117.87 3m4w s SER 57 Ca 0.04 0.71 0.01 0.00 0.70 0.00 0.00 55.95 57.41 3m4w s SER 57 Cb -0.12 -2.32 -0.04 0.00 -1.71 0.00 0.00 66.02 61.82 3m4w s SER 57 CO 0.00 -0.29 0.05 -0.76 1.20 0.00 0.00 173.24 173.44 3m4w s LEU 58 N 2.12 1.80 -0.04 3.45 1.43 0.31 -2.20 118.68 125.56 3m4w s LEU 58 Ca 0.26 -1.25 -0.02 0.00 -1.03 0.00 0.00 54.13 52.09 3m4w s LEU 58 Cb -0.16 0.11 0.02 0.00 0.03 0.00 0.00 46.19 46.20 3m4w s LEU 58 CO 0.09 -0.68 0.08 -0.60 0.23 0.00 0.00 176.35 175.47 3m4w s ARG 59 N -4.01 0.04 -0.13 1.70 3.52 -0.94 -1.32 118.95 117.81 3m4w s ARG 59 Ca 0.29 0.21 0.01 0.00 -0.13 0.00 0.00 55.73 56.11 3m4w s ARG 59 Cb 0.07 -0.12 0.02 0.00 -1.56 0.00 0.00 34.95 33.35 3m4w s ARG 59 CO 0.06 -0.11 -0.14 -0.47 -0.81 0.00 0.00 175.30 173.83 3m4w s TYR 60 N 0.73 2.03 -0.11 5.12 5.04 0.27 -0.94 117.35 129.50 3m4w s TYR 60 Ca -0.06 -1.06 -0.00 0.00 -2.44 0.00 0.00 57.07 53.51 3m4w s TYR 60 Cb -0.08 -1.50 -0.02 0.00 0.35 0.00 0.00 41.96 40.71 3m4w s TYR 60 CO -0.03 -0.58 -0.09 1.03 -1.34 0.00 0.00 175.55 174.54 3m4w s ARG 61 N 1.31 3.15 -0.01 4.97 0.52 0.03 -0.99 118.95 127.94 3m4w s ARG 61 Ca 0.00 -0.60 0.01 0.00 -0.52 0.00 0.00 55.73 54.62 3m4w s ARG 61 Cb -0.14 -2.66 0.00 0.00 0.52 0.00 0.00 34.95 32.68 3m4w s ARG 61 CO -0.07 0.41 -0.04 -1.58 0.02 0.00 0.00 175.30 174.04 3m4w s HIS 62 N -0.13 0.39 0.31 -0.53 2.46 0.12 -1.09 115.29 116.82 3m4w s HIS 62 Ca 0.01 -0.07 -0.13 0.00 0.47 0.00 0.00 55.06 55.33 3m4w s HIS 62 Cb -0.13 -0.29 0.02 0.00 -0.13 0.00 0.00 32.58 32.05 3m4w s HIS 62 CO 0.03 -0.03 0.61 0.00 -2.47 0.00 0.00 174.74 172.88 3m4w s ALA 63 N 0.10 -0.38 -0.04 1.58 0.00 0.46 -0.38 121.76 123.10 3m4w s ALA 63 Ca -0.01 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.13 3m4w s ALA 63 Cb -0.04 0.94 0.01 0.00 0.00 0.00 0.00 23.12 24.02 3m4w s ALA 63 CO -0.00 -0.92 -0.10 1.03 0.00 0.00 0.00 175.76 175.77 3m4w s ARG 64 N -3.35 1.20 -0.15 0.00 0.52 -1.26 -0.00 118.95 115.89 3m4w s ARG 64 Ca 0.20 -0.36 -0.06 0.00 -0.52 0.00 0.00 55.73 55.00 3m4w s ARG 64 Cb -0.03 -1.08 0.07 0.00 0.52 0.00 0.00 34.95 34.43 3m4w s ARG 64 CO 0.11 0.11 0.32 -1.17 0.02 0.00 0.00 175.30 174.69 3m4w s LEU 65 N 0.30 -0.38 -1.12 2.53 2.96 -0.85 -4.91 118.68 117.21 3m4w s LEU 65 Ca -0.06 0.74 -0.03 0.00 -0.22 0.00 0.00 54.13 54.56 3m4w s LEU 65 Cb -0.11 0.95 0.00 0.00 0.50 0.00 0.00 46.19 47.54 3m4w s LEU 65 CO 0.01 -0.23 0.95 0.47 -1.32 0.00 0.00 176.35 176.23 3m4w n ASP 66 N 5.27 -3.51 -1.42 3.68 8.00 -1.26 -3.25 116.55 124.05 3m4w n ASP 66 Ca -0.09 -0.52 -0.15 0.00 0.71 0.00 0.00 54.79 54.74 3m4w n ASP 66 Cb 0.50 -4.59 -0.04 0.00 -0.02 0.00 0.00 41.12 36.97 3m4w n ASP 66 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3m4w n ASN 67 N -2.75 -4.73 -3.77 -2.24 4.13 -1.26 -5.01 115.26 99.63 3m4w n ASN 67 Ca -0.16 0.20 -0.13 0.00 1.68 0.00 0.00 54.58 56.18 3m4w n ASN 67 Cb 0.61 -3.70 -0.09 0.00 -1.54 0.00 0.00 39.78 35.06 3m4w n ASN 67 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3m4w s ARG 68 N -3.95 0.57 0.54 3.52 1.70 -1.20 -5.09 118.95 115.04 3m4w s ARG 68 Ca 0.00 -0.04 -0.19 0.00 -0.47 0.00 0.00 55.73 55.02 3m4w s ARG 68 Cb 0.00 0.26 -0.06 0.00 -0.57 0.00 0.00 34.95 34.58 3m4w s ARG 68 CO 0.00 -0.14 1.10 -1.25 -1.08 0.00 0.00 175.30 173.93 3m4w s PRO 69 N -0.93 3.43 -0.04 3.89 0.04 -1.26 -2.00 135.00 138.13 3m4w s PRO 69 Ca -0.10 1.50 0.03 0.00 0.04 0.00 0.00 61.00 62.47 3m4w s PRO 69 Cb -0.05 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.47 3m4w s PRO 69 CO 0.03 -0.76 -0.11 -0.51 0.04 0.00 0.00 177.00 175.69 3m4w s LEU 70 N -3.84 1.73 0.04 -3.56 1.43 0.99 -1.28 118.68 114.20 3m4w s LEU 70 Ca 0.70 -0.24 -0.20 0.00 -1.03 0.00 0.00 54.13 53.37 3m4w s LEU 70 Cb -0.21 -0.68 0.04 0.00 0.03 0.00 0.00 46.19 45.37 3m4w s LEU 70 CO 0.27 0.06 0.45 0.00 0.23 0.00 0.00 176.35 177.36 3m4w s ALA 71 N 0.35 -1.13 -0.14 4.21 0.00 -0.51 -0.41 121.76 124.13 3m4w s ALA 71 Ca -0.07 0.45 -0.07 0.00 0.00 0.00 0.00 51.96 52.28 3m4w s ALA 71 Cb -0.11 0.32 0.06 0.00 0.00 0.00 0.00 23.12 23.39 3m4w s ALA 71 CO 0.02 -0.46 0.33 -1.14 0.00 0.00 0.00 175.76 174.51 3m4w s GLN 72 N -2.33 0.27 -0.21 0.00 0.74 -0.25 -0.79 119.66 117.09 3m4w s GLN 72 Ca -0.06 0.73 -0.05 0.00 0.05 0.00 0.00 55.36 56.03 3m4w s GLN 72 Cb -0.01 -0.01 -0.02 0.00 1.10 0.00 0.00 33.01 34.07 3m4w s GLN 72 CO -0.01 -0.20 0.00 -1.17 -0.55 0.00 0.00 175.29 173.36 3m4w s LEU 73 N 1.74 3.21 -0.07 3.68 2.96 -0.27 -0.79 118.68 129.15 3m4w s LEU 73 Ca -0.06 -0.24 0.05 0.00 -0.22 0.00 0.00 54.13 53.66 3m4w s LEU 73 Cb -0.10 -1.82 -0.00 0.00 0.50 0.00 0.00 46.19 44.76 3m4w s LEU 73 CO -0.10 0.04 -0.23 -0.22 -1.32 0.00 0.00 176.35 174.51 3m4w s LEU 74 N 1.16 2.04 -0.24 -0.68 2.96 -0.11 -1.30 118.68 122.50 3m4w s LEU 74 Ca 0.03 -0.51 -0.28 0.00 -0.22 0.00 0.00 54.13 53.15 3m4w s LEU 74 Cb -0.14 -1.33 0.01 0.00 0.50 0.00 0.00 46.19 45.23 3m4w s LEU 74 CO 0.01 0.19 0.99 -1.58 -1.32 0.00 0.00 176.35 174.65 3m4w s GLN 75 N 0.08 4.21 0.22 1.98 0.74 -0.41 -2.22 119.66 124.27 3m4w s GLN 75 Ca -0.10 1.21 0.09 0.00 0.05 0.00 0.00 55.36 56.62 3m4w s GLN 75 Cb -0.15 -3.65 0.16 0.00 1.10 0.00 0.00 33.01 30.46 3m4w s GLN 75 CO 0.06 -0.63 1.49 0.52 -0.55 0.00 0.00 175.29 176.18 3m4w h MET 76 N 7.59 0.00 -6.64 1.67 2.86 -1.77 -3.41 114.93 115.22 3m4w h MET 76 Ca -0.20 0.00 -0.67 0.00 -2.06 0.00 0.00 59.70 56.77 3m4w h MET 76 Cb 1.07 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 32.55 3m4w h MET 76 CO 0.96 0.75 -0.78 -0.51 1.06 0.00 0.00 176.91 178.39 3m4w s ASP 77 N -6.79 4.03 0.43 1.22 1.01 -1.26 -5.04 116.67 110.28 3m4w s ASP 77 Ca -0.00 -0.54 0.00 0.00 0.71 0.00 0.00 52.55 52.72 3m4w s ASP 77 Cb 0.12 -0.62 0.00 0.00 1.01 0.00 0.00 42.92 43.42 3m4w s ASP 77 CO 0.78 0.17 0.00 0.61 0.21 0.00 0.00 175.17 176.94 3m4w n GLY 78 N 0.65 1.33 3.69 0.21 0.00 -1.26 -4.80 105.19 105.01 3m4w n GLY 78 Ca -0.14 -0.72 -0.44 0.00 0.00 0.00 0.00 46.02 44.72 3m4w n GLY 78 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3m4w n PRO 79 N 11.38 2.13 -1.37 1.61 -0.02 -1.26 -4.84 135.00 142.64 3m4w n PRO 79 Ca 0.00 0.75 -0.39 0.00 -2.02 0.00 0.00 63.50 61.85 3m4w n PRO 79 Cb 0.00 -2.39 -0.02 0.00 -0.02 0.00 0.00 33.50 31.06 3m4w n PRO 79 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3m4w n ARG 80 N 1.52 2.71 -2.41 -0.52 0.63 -1.26 -4.80 116.66 112.52 3m4w n ARG 80 Ca 0.09 -2.19 -0.37 0.00 -0.92 0.00 0.00 57.85 54.46 3m4w n ARG 80 Cb 0.34 -2.97 -0.03 0.00 0.45 0.00 0.00 32.46 30.25 3m4w n ARG 80 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3m4w s ARG 81 N 3.31 4.07 -0.11 -0.14 0.52 -1.26 -4.51 118.95 120.82 3m4w s ARG 81 Ca 0.54 1.67 -0.28 0.00 -0.52 0.00 0.00 55.73 57.14 3m4w s ARG 81 Cb 0.15 -2.58 0.07 0.00 0.52 0.00 0.00 34.95 33.11 3m4w s ARG 81 CO -0.03 -0.26 0.66 -2.00 0.02 0.00 0.00 175.30 173.69 3m4w s GLU 82 N -2.44 0.96 -0.03 3.54 2.12 -0.32 -1.29 118.70 121.24 3m4w s GLU 82 Ca 0.58 0.44 0.04 0.00 0.36 0.00 0.00 54.97 56.39 3m4w s GLU 82 Cb -0.26 0.46 -0.00 0.00 0.26 0.00 0.00 34.13 34.58 3m4w s GLU 82 CO 0.33 -0.25 -0.14 0.08 -0.54 0.00 0.00 175.26 174.73 3m4w s VAL 83 N -0.73 1.15 0.04 3.70 1.01 -0.42 -0.53 120.40 124.62 3m4w s VAL 83 Ca -0.08 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 61.38 3m4w s VAL 83 Cb -0.02 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 3m4w s VAL 83 CO 0.07 0.34 -0.18 -0.69 0.00 0.00 0.00 175.10 174.64 3m4w s VAL 84 N -0.06 1.44 -0.06 2.92 1.01 0.09 -1.11 120.40 124.62 3m4w s VAL 84 Ca -0.00 -1.11 0.03 0.00 0.00 0.00 0.00 61.98 60.90 3m4w s VAL 84 Cb -0.09 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 35.04 3m4w s VAL 84 CO 0.01 0.13 -0.14 -1.58 0.00 0.00 0.00 175.10 173.51 3m4w s GLN 85 N -1.15 1.77 -0.22 2.72 0.74 0.03 -0.27 119.66 123.28 3m4w s GLN 85 Ca 0.05 -0.49 -0.03 0.00 0.05 0.00 0.00 55.36 54.93 3m4w s GLN 85 Cb -0.08 -1.47 0.07 0.00 1.10 0.00 0.00 33.01 32.62 3m4w s GLN 85 CO 0.02 0.11 0.07 0.50 -0.55 0.00 0.00 175.29 175.43 3m4w s ARG 86 N 0.42 0.48 7.04 1.67 3.52 -0.78 -1.42 118.95 129.87 3m4w s ARG 86 Ca -0.11 -0.45 0.00 0.00 -0.13 0.00 0.00 55.73 55.04 3m4w s ARG 86 Cb -0.14 -1.92 0.00 0.00 -1.56 0.00 0.00 34.95 31.33 3m4w s ARG 86 CO 0.03 -0.74 0.00 0.41 -0.81 0.00 0.00 175.30 174.20 3m4w n GLY 87 N 5.10 2.97 1.60 8.12 0.00 -0.40 -2.01 105.19 120.56 3m4w n GLY 87 Ca -0.07 -0.27 0.03 0.00 0.00 0.00 0.00 46.02 45.71 3m4w n GLY 87 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3m4w n ASN 88 N 3.98 4.54 -4.30 1.61 6.94 -1.26 -4.77 115.26 122.00 3m4w n ASN 88 Ca 0.00 -2.75 -0.35 0.00 -0.02 0.00 0.00 54.58 51.46 3m4w n ASN 88 Cb 0.00 -0.65 -0.14 0.00 -2.36 0.00 0.00 39.78 36.63 3m4w n ASN 88 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3m4w s GLU 89 N -2.36 3.34 -0.33 -3.83 2.02 -0.85 -1.19 118.70 115.49 3m4w s GLU 89 Ca 0.42 -0.65 -0.09 0.00 0.02 0.00 0.00 54.97 54.66 3m4w s GLU 89 Cb 0.32 -3.02 0.01 0.00 0.10 0.00 0.00 34.13 31.54 3m4w s GLU 89 CO 0.12 -0.22 0.15 0.42 0.02 0.00 0.00 175.26 175.75 3m4w s ILE 90 N 1.47 4.44 -0.12 -1.63 -1.09 0.56 -1.87 121.20 122.95 3m4w s ILE 90 Ca 0.05 -0.63 -0.04 0.00 -2.23 0.00 0.00 60.65 57.81 3m4w s ILE 90 Cb -0.14 -3.34 -0.03 0.00 -1.58 0.00 0.00 42.46 37.36 3m4w s ILE 90 CO -0.03 -0.03 0.02 -0.44 -1.23 0.00 0.00 174.94 173.23 3m4w s SER 91 N 1.57 5.37 -0.14 3.58 0.01 0.62 -0.43 113.70 124.28 3m4w s SER 91 Ca 0.03 0.12 -0.01 0.00 1.31 0.00 0.00 55.95 57.40 3m4w s SER 91 Cb -0.18 -1.68 -0.02 0.00 0.21 0.00 0.00 66.02 64.35 3m4w s SER 91 CO 0.05 0.31 -0.10 -0.31 0.41 0.00 0.00 173.24 173.60 3m4w s TYR 92 N -0.46 2.88 -0.05 2.43 1.51 -0.31 -0.73 117.35 122.62 3m4w s TYR 92 Ca 0.09 -0.51 0.04 0.00 -1.01 0.00 0.00 57.07 55.68 3m4w s TYR 92 Cb -0.12 -1.88 -0.00 0.00 -0.11 0.00 0.00 41.96 39.85 3m4w s TYR 92 CO 0.02 -0.14 -0.17 -0.06 -1.11 0.00 0.00 175.55 174.10 3m4w s PHE 93 N 0.32 1.71 -0.09 2.71 0.40 0.31 -2.95 117.98 120.38 3m4w s PHE 93 Ca -0.08 -0.53 -0.07 0.00 -0.60 0.00 0.00 56.93 55.65 3m4w s PHE 93 Cb -0.15 -1.17 0.03 0.00 0.51 0.00 0.00 43.02 42.24 3m4w s PHE 93 CO 0.05 -0.20 0.23 -2.00 0.70 0.00 0.00 175.22 174.00 3m4w s GLU 94 N 0.16 0.25 0.13 0.44 2.12 -1.26 -1.17 118.70 119.36 3m4w s GLU 94 Ca -0.07 0.38 -0.33 0.00 0.36 0.00 0.00 54.97 55.32 3m4w s GLU 94 Cb -0.13 0.05 -0.13 0.00 0.26 0.00 0.00 34.13 34.19 3m4w s GLU 94 CO 0.03 -0.07 1.68 -2.30 -0.54 0.00 0.00 175.26 174.05 3m4w n PRO 95 N 3.35 2.33 -2.73 4.30 -0.02 -1.26 -2.47 135.00 138.51 3m4w n PRO 95 Ca -0.17 0.84 -0.06 0.00 -2.02 0.00 0.00 63.50 62.10 3m4w n PRO 95 Cb 0.57 -2.65 0.02 0.00 -0.02 0.00 0.00 33.50 31.41 3m4w n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m4w n GLY 96 N 3.75 0.56 3.42 -1.23 0.00 -1.26 -5.06 105.19 105.38 3m4w n GLY 96 Ca 0.18 -0.46 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 3m4w n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m4w s LEU 97 N -2.49 -0.13 -0.10 0.99 1.43 -1.03 -5.13 118.68 112.22 3m4w s LEU 97 Ca 0.14 0.53 -0.30 0.00 -1.03 0.00 0.00 54.13 53.47 3m4w s LEU 97 Cb -0.06 2.08 -0.02 0.00 0.03 0.00 0.00 46.19 48.22 3m4w s LEU 97 CO 0.17 -0.53 1.17 -1.61 0.23 0.00 0.00 176.35 175.77 3m4w s GLU 98 N -1.15 4.33 0.94 1.70 0.41 -1.26 -4.64 118.70 119.02 3m4w s GLU 98 Ca -0.11 1.60 -0.10 0.00 -0.41 0.00 0.00 54.97 55.94 3m4w s GLU 98 Cb -0.02 -3.61 0.16 0.00 -1.78 0.00 0.00 34.13 28.88 3m4w s GLU 98 CO 0.08 -0.50 1.14 -2.14 -0.49 0.00 0.00 175.26 173.34 3m4w s PRO 99 N 2.56 0.83 -0.00 0.39 0.02 -1.26 -4.97 135.00 132.57 3m4w s PRO 99 Ca 0.53 1.50 -0.28 0.00 0.02 0.00 0.00 61.00 62.78 3m4w s PRO 99 Cb -0.22 -1.71 0.07 0.00 0.02 0.00 0.00 34.50 32.66 3m4w s PRO 99 CO 0.18 -2.75 0.64 -0.59 -0.33 0.00 0.00 177.00 174.15 3m4w s PHE 100 N -2.63 -0.60 0.01 6.54 -0.12 -1.15 -4.87 117.98 115.17 3m4w s PHE 100 Ca 0.67 0.89 0.08 0.00 -0.05 0.00 0.00 56.93 58.52 3m4w s PHE 100 Cb -0.23 0.42 -0.03 0.00 -0.63 0.00 0.00 43.02 42.55 3m4w s PHE 100 CO 0.59 -0.65 -0.23 0.99 -0.05 0.00 0.00 175.22 175.87 3m4w s THR 101 N -1.78 2.36 0.45 -4.49 2.01 -1.13 -1.16 115.64 111.90 3m4w s THR 101 Ca -0.08 -1.19 0.03 0.00 0.31 0.00 0.00 61.69 60.76 3m4w s THR 101 Cb -0.00 -1.91 -0.03 0.00 0.01 0.00 0.00 72.50 70.57 3m4w s THR 101 CO 0.05 0.45 0.05 -0.76 -0.69 0.00 0.00 174.62 173.72 3m4w s LEU 102 N -1.04 2.23 -0.05 4.42 1.43 0.43 -0.65 118.68 125.45 3m4w s LEU 102 Ca 0.12 -1.61 -0.01 0.00 -1.03 0.00 0.00 54.13 51.59 3m4w s LEU 102 Cb -0.10 -0.48 -0.04 0.00 0.03 0.00 0.00 46.19 45.60 3m4w s LEU 102 CO 0.02 -0.83 0.02 0.20 0.23 0.00 0.00 176.35 175.99 3m4w s ASN 103 N -3.73 5.35 -0.20 2.29 0.01 -1.26 -0.32 114.94 117.08 3m4w s ASN 103 Ca 0.18 0.12 -0.36 0.00 -0.71 0.00 0.00 52.86 52.09 3m4w s ASN 103 Cb 0.03 -1.50 0.14 0.00 0.41 0.00 0.00 41.25 40.34 3m4w s ASN 103 CO 0.10 0.33 1.27 -0.83 -1.51 0.00 0.00 177.10 176.46 3m4w s GLY 104 N -1.25 -0.29 0.00 0.66 0.00 -0.34 -4.86 107.32 101.25 3m4w s GLY 104 Ca 0.17 1.58 0.26 0.00 0.00 0.00 0.00 44.72 46.74 3m4w s GLY 104 CO 0.07 0.51 1.62 1.22 0.00 0.00 0.00 173.10 176.52 3m4w n ASP 105 N -0.12 1.87 0.00 1.64 8.00 -1.26 -4.19 116.55 122.49 3m4w n ASP 105 Ca 0.01 -1.63 0.00 0.00 0.71 0.00 0.00 54.79 53.87 3m4w n ASP 105 Cb 0.58 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 3m4w n ASP 105 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3m4w n TYR 106 N 0.46 0.00 -2.86 1.24 0.18 -1.26 -5.02 117.16 109.91 3m4w n TYR 106 Ca 0.18 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.53 3m4w n TYR 106 Cb 0.41 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.33 3m4w n TYR 106 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 3m4w s ILE 107 N -2.00 4.52 0.31 -3.48 1.01 -1.26 -5.02 121.20 115.28 3m4w s ILE 107 Ca 0.00 0.66 -0.29 0.00 0.00 0.00 0.00 60.65 61.02 3m4w s ILE 107 Cb 0.00 -4.40 -0.10 0.00 0.01 0.00 0.00 42.46 37.96 3m4w s ILE 107 CO 0.00 -0.80 1.40 -0.69 0.00 0.00 0.00 174.94 174.84 3m4w s VAL 108 N 3.63 2.56 -0.13 2.92 1.01 -1.26 -2.12 120.40 127.01 3m4w s VAL 108 Ca 0.35 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.85 3m4w s VAL 108 Cb -0.11 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.94 3m4w s VAL 108 CO 0.25 0.11 0.00 0.47 0.00 0.00 0.00 175.10 175.93 3m4w n ASP 109 N 1.35 -3.84 0.03 3.32 9.92 -1.26 -4.85 116.55 121.22 3m4w n ASP 109 Ca 0.03 0.03 -0.10 0.00 -0.53 0.00 0.00 54.79 54.22 3m4w n ASP 109 Cb 0.41 -1.45 -0.13 0.00 -0.64 0.00 0.00 41.12 39.30 3m4w n ASP 109 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 3m4w h SER 110 N 0.00 0.11 -5.25 -2.24 4.64 -1.85 -3.46 113.55 105.50 3m4w h SER 110 Ca -0.03 -0.16 -0.12 0.00 -0.47 0.00 0.00 61.79 61.01 3m4w h SER 110 Cb 0.31 -0.04 -0.15 0.00 -0.31 0.00 0.00 62.40 62.22 3m4w h SER 110 CO 0.04 1.14 -0.56 -0.76 -0.87 0.00 0.00 176.83 175.81 3m4w s LEU 111 N -6.56 1.98 0.62 5.97 1.43 -1.26 -4.93 118.68 115.92 3m4w s LEU 111 Ca -0.04 -0.93 -0.19 0.00 -1.03 0.00 0.00 54.13 51.95 3m4w s LEU 111 Cb 0.08 0.51 -0.02 0.00 0.03 0.00 0.00 46.19 46.79 3m4w s LEU 111 CO 0.83 -0.67 1.26 -2.84 0.23 0.00 0.00 176.35 175.16 3m4w s PRO 112 N -3.93 2.76 0.45 1.29 0.02 -1.26 -4.85 135.00 129.49 3m4w s PRO 112 Ca 0.10 1.98 0.20 0.00 0.02 0.00 0.00 61.00 63.30 3m4w s PRO 112 Cb 0.07 -1.91 1.17 0.00 0.02 0.00 0.00 34.50 33.85 3m4w s PRO 112 CO -0.08 -1.42 1.90 0.77 -0.33 0.00 0.00 177.00 177.84 3m4w h SER 113 N 0.75 0.29 -1.01 2.53 0.02 -1.99 -1.19 113.55 112.96 3m4w h SER 113 Ca -0.51 0.02 0.23 0.00 -0.84 0.00 0.00 61.79 60.70 3m4w h SER 113 Cb 1.32 -0.03 -0.11 0.00 0.14 0.00 0.00 62.40 63.72 3m4w h SER 113 CO 0.54 0.13 0.62 0.25 -1.14 0.00 0.00 176.83 177.23 3m4w h LEU 114 N 0.30 0.65 -1.04 5.07 5.85 -1.88 -0.16 115.31 124.10 3m4w h LEU 114 Ca 0.41 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 59.16 3m4w h LEU 114 Cb 1.13 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 3m4w h LEU 114 CO -0.11 0.16 -0.34 0.40 -0.34 0.00 0.00 178.44 178.21 3m4w h ILE 115 N 0.60 0.84 -0.54 4.05 2.04 -1.56 -2.73 117.51 120.20 3m4w h ILE 115 Ca 0.60 -1.39 0.00 0.00 1.00 0.00 0.00 64.86 65.07 3m4w h ILE 115 Cb 1.17 1.86 0.00 0.00 -0.74 0.00 0.00 36.82 39.11 3m4w h ILE 115 CO -0.39 0.33 0.00 -1.22 0.00 0.00 0.00 178.15 176.87 3m4w n TYR 116 N -3.55 1.45 -3.29 1.37 4.02 -0.10 -4.53 117.16 112.52 3m4w n TYR 116 Ca -0.00 -0.55 -0.37 0.00 -0.01 0.00 0.00 57.90 56.97 3m4w n TYR 116 Cb 0.48 -0.29 -0.06 0.00 -0.02 0.00 0.00 39.34 39.44 3m4w n TYR 116 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3m4w s THR 117 N -2.02 4.77 -0.78 -0.72 2.01 -1.03 -5.02 115.64 112.85 3m4w s THR 117 Ca 0.45 1.05 -0.18 0.00 0.31 0.00 0.00 61.69 63.32 3m4w s THR 117 Cb 0.31 -3.82 0.13 0.00 0.01 0.00 0.00 72.50 69.13 3m4w s THR 117 CO 0.19 0.38 0.91 -0.62 -0.69 0.00 0.00 174.62 174.79 3m4w s ASP 118 N -1.44 6.47 0.61 3.53 2.15 -1.26 -4.89 116.67 121.85 3m4w s ASP 118 Ca 0.34 -1.88 0.33 0.00 0.43 0.00 0.00 52.55 51.78 3m4w s ASP 118 Cb -0.17 -2.34 1.93 0.00 -0.30 0.00 0.00 42.92 42.05 3m4w s ASP 118 CO 0.19 -1.03 2.24 -0.26 -0.17 0.00 0.00 175.17 176.15 3m4w h PHE 119 N 8.81 0.00 0.35 -5.34 0.04 -1.93 -2.86 116.94 116.01 3m4w h PHE 119 Ca -0.03 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 3m4w h PHE 119 Cb 1.05 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.20 3m4w h PHE 119 CO 1.02 0.00 -0.21 0.87 -0.60 0.00 0.00 178.31 179.39 3m4w h LYS 120 N 0.00 -0.52 0.00 1.51 1.57 -1.91 -0.84 116.57 116.38 3m4w h LYS 120 Ca 0.02 0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3m4w h LYS 120 Cb 0.12 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 3m4w h LYS 120 CO -0.00 -0.34 -0.07 -0.09 -0.57 0.00 0.00 179.45 178.37 3m4w h ARG 121 N -0.54 0.00 0.17 3.15 2.43 -1.94 -2.88 114.38 114.78 3m4w h ARG 121 Ca -0.04 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.84 3m4w h ARG 121 Cb 0.44 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.01 3m4w h ARG 121 CO 0.04 0.07 -1.32 -0.07 -1.51 0.00 0.00 179.97 177.18 3m4w h LEU 122 N 0.00 0.57 -1.63 3.80 4.07 -1.42 -3.36 115.31 117.34 3m4w h LEU 122 Ca -0.00 -0.61 0.46 0.00 0.08 0.00 0.00 57.88 57.81 3m4w h LEU 122 Cb 0.20 -0.19 -0.11 0.00 1.08 0.00 0.00 40.66 41.65 3m4w h LEU 122 CO 0.01 1.48 1.01 0.77 -1.08 0.00 0.00 178.44 180.63 3m4w h SER 123 N 0.10 0.15 0.17 -0.43 4.64 -0.93 0.15 113.55 117.40 3m4w h SER 123 Ca -0.18 0.08 -0.04 0.00 -0.47 0.00 0.00 61.79 61.18 3m4w h SER 123 Cb 2.04 0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 64.20 3m4w h SER 123 CO 0.23 -0.11 -0.19 -0.65 -0.87 0.00 0.00 176.83 175.25 3m4w h PRO 124 N 0.06 0.04 0.00 4.77 0.11 -1.76 -3.29 132.00 131.92 3m4w h PRO 124 Ca 0.82 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.90 3m4w h PRO 124 Cb 2.85 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 33.91 3m4w h PRO 124 CO -0.26 0.23 -0.36 2.48 -0.21 0.00 0.00 178.00 179.89 3m4w n TYR 125 N -4.30 0.00 -3.94 0.65 0.18 0.48 -5.03 117.16 105.21 3m4w n TYR 125 Ca -0.02 -0.77 -0.10 0.00 1.88 0.00 0.00 57.90 58.90 3m4w n TYR 125 Cb 0.26 -0.14 -0.10 0.00 -0.38 0.00 0.00 39.34 38.98 3m4w n TYR 125 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 3m4w s TYR 126 N -1.83 0.19 0.02 -3.48 1.51 -0.87 -1.74 117.35 111.16 3m4w s TYR 126 Ca 0.25 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 55.91 3m4w s TYR 126 Cb 0.24 -0.14 -0.04 0.00 -0.11 0.00 0.00 41.96 41.91 3m4w s TYR 126 CO -0.02 -0.26 0.02 -0.51 -1.11 0.00 0.00 175.55 173.67 3m4w s ASP 127 N -1.62 5.24 -0.31 2.29 1.01 -0.66 -4.63 116.67 117.98 3m4w s ASP 127 Ca -0.13 -0.01 0.03 0.00 0.71 0.00 0.00 52.55 53.15 3m4w s ASP 127 Cb -0.07 -1.38 0.08 0.00 1.01 0.00 0.00 42.92 42.57 3m4w s ASP 127 CO -0.01 0.25 -0.00 -0.36 0.21 0.00 0.00 175.17 175.25 3m4w s PHE 128 N -1.18 3.56 -0.11 4.23 0.08 -1.26 -2.74 117.98 120.56 3m4w s PHE 128 Ca 0.22 -2.68 0.01 0.00 0.12 0.00 0.00 56.93 54.60 3m4w s PHE 128 Cb -0.12 -2.54 -0.02 0.00 -0.57 0.00 0.00 43.02 39.77 3m4w s PHE 128 CO 0.14 -0.92 -0.14 -1.50 -0.10 0.00 0.00 175.22 172.70 3m4w s ILE 129 N 1.00 3.02 0.17 0.64 2.07 -0.87 -4.71 121.20 122.51 3m4w s ILE 129 Ca 0.03 -0.69 -0.30 0.00 -1.41 0.00 0.00 60.65 58.28 3m4w s ILE 129 Cb -0.20 -2.24 -0.07 0.00 0.13 0.00 0.00 42.46 40.08 3m4w s ILE 129 CO -0.06 0.54 0.95 -0.55 -1.91 0.00 0.00 174.94 173.91 3m4w s SER 130 N 0.09 7.56 0.00 4.50 0.15 -1.26 -0.67 113.70 124.07 3m4w s SER 130 Ca -0.06 1.87 0.08 0.00 0.70 0.00 0.00 55.95 58.53 3m4w s SER 130 Cb -0.15 -2.60 -0.08 0.00 -1.71 0.00 0.00 66.02 61.49 3m4w s SER 130 CO 0.05 0.03 0.33 0.52 1.20 0.00 0.00 173.24 175.37 3m4w n VAL 131 N 2.21 0.00 0.00 4.45 0.31 0.02 -4.96 118.33 120.36 3m4w n VAL 131 Ca 0.00 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 3m4w n VAL 131 Cb 0.48 1.00 0.00 0.00 -0.91 0.00 0.00 33.84 34.42 3m4w n VAL 131 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3m4w n GLY 132 N 1.16 0.36 3.38 2.92 0.00 -1.22 -4.95 105.19 106.84 3m4w n GLY 132 Ca 0.02 -2.27 -0.29 0.00 0.00 0.00 0.00 46.02 43.47 3m4w n GLY 132 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m4w s ARG 133 N 0.00 1.44 0.19 1.61 0.52 -1.26 0.60 118.95 122.05 3m4w s ARG 133 Ca 0.00 -1.31 -0.23 0.00 -0.52 0.00 0.00 55.73 53.67 3m4w s ARG 133 Cb 0.00 -1.88 0.05 0.00 0.52 0.00 0.00 34.95 33.64 3m4w s ARG 133 CO 0.00 0.45 0.71 -0.08 0.02 0.00 0.00 175.30 176.40 3m4w s THR 134 N -1.03 0.00 -0.15 0.02 -1.32 -0.31 -4.94 115.64 107.92 3m4w s THR 134 Ca 0.13 -0.46 -0.18 0.00 -1.21 0.00 0.00 61.69 59.97 3m4w s THR 134 Cb -0.10 -1.49 -0.04 0.00 -1.51 0.00 0.00 72.50 69.36 3m4w s THR 134 CO 0.05 0.00 0.48 -0.60 -2.21 0.00 0.00 174.62 172.34 3m4w s ARG 135 N -3.71 4.29 -0.03 7.08 3.52 -1.26 0.13 118.95 128.97 3m4w s ARG 135 Ca 0.06 0.42 -0.01 0.00 -0.13 0.00 0.00 55.73 56.08 3m4w s ARG 135 Cb -0.03 -3.48 0.03 0.00 -1.56 0.00 0.00 34.95 29.92 3m4w s ARG 135 CO -0.03 0.07 0.05 0.42 -0.81 0.00 0.00 175.30 174.99 3m4w s ILE 136 N 0.93 -0.06 -1.48 4.11 -1.09 -0.12 -4.85 121.20 118.65 3m4w s ILE 136 Ca 0.25 0.20 -0.06 0.00 -2.23 0.00 0.00 60.65 58.82 3m4w s ILE 136 Cb -0.15 -0.11 0.02 0.00 -1.58 0.00 0.00 42.46 40.64 3m4w s ILE 136 CO 0.10 0.08 0.54 0.00 -1.23 0.00 0.00 174.94 174.43 3m4w n ALA 137 N 4.14 -0.98 -2.76 9.38 0.00 -1.26 -1.32 120.51 127.71 3m4w n ALA 137 Ca -0.27 0.22 -0.18 0.00 0.00 0.00 0.00 53.44 53.22 3m4w n ALA 137 Cb 0.51 -3.47 0.02 0.00 0.00 0.00 0.00 19.45 16.51 3m4w n ALA 137 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3m4w n ASP 138 N -2.43 -5.14 -4.03 0.00 2.03 -1.26 -5.01 116.55 100.72 3m4w n ASP 138 Ca -0.09 -0.19 -0.12 0.00 0.52 0.00 0.00 54.79 54.91 3m4w n ASP 138 Cb 0.60 -4.03 -0.12 0.00 -0.72 0.00 0.00 41.12 36.85 3m4w n ASP 138 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3m4w s ARG 139 N -5.34 0.45 -0.23 -0.67 1.81 -0.43 -5.12 118.95 109.41 3m4w s ARG 139 Ca 0.20 -0.66 -0.24 0.00 -1.72 0.00 0.00 55.73 53.31 3m4w s ARG 139 Cb -0.09 -0.19 -0.01 0.00 -0.45 0.00 0.00 34.95 34.21 3m4w s ARG 139 CO 0.24 0.03 0.79 -1.17 -0.68 0.00 0.00 175.30 174.52 3m4w s LEU 140 N -1.41 4.09 0.11 2.53 2.96 -1.26 -0.95 118.68 124.75 3m4w s LEU 140 Ca -0.10 1.00 0.09 0.00 -0.22 0.00 0.00 54.13 54.89 3m4w s LEU 140 Cb -0.09 -3.13 -0.04 0.00 0.50 0.00 0.00 46.19 43.42 3m4w s LEU 140 CO -0.00 -0.47 -0.19 0.00 -1.32 0.00 0.00 176.35 174.37 3m4w s GLU 142 N -2.09 4.34 -0.38 0.00 0.41 -0.23 -1.16 118.70 119.60 3m4w s GLU 142 Ca 0.17 0.83 -0.14 0.00 -0.41 0.00 0.00 54.97 55.42 3m4w s GLU 142 Cb -0.10 -3.51 0.00 0.00 -1.78 0.00 0.00 34.13 28.74 3m4w s GLU 142 CO 0.09 -0.10 0.29 0.08 -0.49 0.00 0.00 175.26 175.13 3m4w s VAL 143 N 1.39 5.25 -0.01 2.63 1.01 0.20 -1.86 120.40 129.02 3m4w s VAL 143 Ca 0.35 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.99 3m4w s VAL 143 Cb -0.17 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 3m4w s VAL 143 CO 0.14 -0.17 -0.19 -0.63 0.00 0.00 0.00 175.10 174.25 3m4w s ILE 144 N 1.75 1.46 -0.07 2.22 1.01 0.27 -0.80 121.20 127.04 3m4w s ILE 144 Ca 0.06 -0.84 -0.04 0.00 0.00 0.00 0.00 60.65 59.84 3m4w s ILE 144 Cb -0.18 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 3m4w s ILE 144 CO 0.11 0.38 0.11 -0.13 0.00 0.00 0.00 174.94 175.40 3m4w s ARG 145 N -0.53 3.28 -0.28 2.79 0.52 0.15 0.58 118.95 125.46 3m4w s ARG 145 Ca 0.07 -0.29 0.02 0.00 -0.52 0.00 0.00 55.73 55.01 3m4w s ARG 145 Cb -0.07 -3.03 0.08 0.00 0.52 0.00 0.00 34.95 32.44 3m4w s ARG 145 CO -0.00 0.72 -0.01 0.08 0.02 0.00 0.00 175.30 176.11 3m4w s VAL 146 N -1.09 1.74 -0.05 3.52 1.01 0.71 -2.06 120.40 124.18 3m4w s VAL 146 Ca 0.18 -1.63 0.02 0.00 0.00 0.00 0.00 61.98 60.55 3m4w s VAL 146 Cb -0.12 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.17 3m4w s VAL 146 CO 0.08 -0.32 -0.09 0.54 0.00 0.00 0.00 175.10 175.32 3m4w s VAL 147 N 1.24 0.84 0.57 2.92 0.11 -1.11 -1.07 120.40 123.91 3m4w s VAL 147 Ca 0.01 -0.33 -0.19 0.00 -2.93 0.00 0.00 61.98 58.55 3m4w s VAL 147 Cb -0.19 -0.79 -0.07 0.00 -1.53 0.00 0.00 36.38 33.80 3m4w s VAL 147 CO -0.09 0.28 0.75 0.00 -3.33 0.00 0.00 175.10 172.71 3m4w n ALA 148 N 3.77 -0.48 0.10 1.54 0.00 -1.26 -1.65 120.51 122.53 3m4w n ALA 148 Ca -0.23 0.01 -0.21 0.00 0.00 0.00 0.00 53.44 53.01 3m4w n ALA 148 Cb 0.52 -1.97 -0.12 0.00 0.00 0.00 0.00 19.45 17.88 3m4w n ALA 148 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3m4w h ARG 149 N 0.43 0.53 -0.96 0.00 2.43 -1.67 -3.27 114.38 111.86 3m4w h ARG 149 Ca -0.47 -0.74 -0.11 0.00 -0.81 0.00 0.00 59.98 57.85 3m4w h ARG 149 Cb 1.38 0.25 -0.07 0.00 -0.42 0.00 0.00 29.97 31.11 3m4w h ARG 149 CO 0.49 1.33 0.14 -0.40 -1.51 0.00 0.00 179.97 180.03 3m4w n ASP 150 N -3.73 3.01 -2.90 -3.80 5.68 -1.26 -4.88 116.55 108.66 3m4w n ASP 150 Ca -0.12 -2.44 -0.14 0.00 -0.50 0.00 0.00 54.79 51.59 3m4w n ASP 150 Cb 0.99 -0.59 -0.03 0.00 -1.14 0.00 0.00 41.12 40.35 3m4w n ASP 150 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3m4w n GLY 151 N 0.05 -0.39 0.45 6.12 0.00 -1.24 -4.79 105.19 105.40 3m4w n GLY 151 Ca 0.16 0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.30 3m4w n GLY 151 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3m4w n THR 152 N -2.64 0.00 -4.55 2.61 -2.24 -1.26 -5.03 114.28 101.17 3m4w n THR 152 Ca 0.04 -0.26 -0.26 0.00 -2.27 0.00 0.00 64.05 61.30 3m4w n THR 152 Cb 0.41 1.23 -0.09 0.00 -2.10 0.00 0.00 70.33 69.78 3m4w n THR 152 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3m4w s ARG 153 N -2.42 1.91 0.64 -0.78 0.52 -1.26 -4.42 118.95 113.13 3m4w s ARG 153 Ca 0.17 -2.15 -0.15 0.00 -0.52 0.00 0.00 55.73 53.09 3m4w s ARG 153 Cb 0.17 -0.94 -0.01 0.00 0.52 0.00 0.00 34.95 34.69 3m4w s ARG 153 CO 0.57 -0.35 1.08 0.71 0.02 0.00 0.00 175.30 177.33 3m4w s TYR 154 N -3.13 2.83 0.40 -0.53 2.02 -1.26 -4.71 117.35 112.97 3m4w s TYR 154 Ca 0.24 1.52 0.07 0.00 -0.37 0.00 0.00 57.07 58.54 3m4w s TYR 154 Cb 0.05 -3.06 -0.07 0.00 -0.40 0.00 0.00 41.96 38.48 3m4w s TYR 154 CO 0.13 -1.39 0.08 -1.54 -1.57 0.00 0.00 175.55 171.25 3m4w s SER 155 N -2.84 4.13 0.12 2.29 1.04 -0.46 -4.66 113.70 113.32 3m4w s SER 155 Ca 0.64 -1.21 0.09 0.00 0.48 0.00 0.00 55.95 55.95 3m4w s SER 155 Cb -0.18 -0.44 -0.04 0.00 0.10 0.00 0.00 66.02 65.46 3m4w s SER 155 CO 0.42 -0.46 -0.22 -0.31 0.98 0.00 0.00 173.24 173.65 3m4w s TYR 156 N -2.64 1.89 -0.08 5.02 2.02 -0.23 -0.23 117.35 123.10 3m4w s TYR 156 Ca 0.37 -0.42 0.02 0.00 -0.37 0.00 0.00 57.07 56.67 3m4w s TYR 156 Cb 0.06 -1.02 0.02 0.00 -0.40 0.00 0.00 41.96 40.62 3m4w s TYR 156 CO 0.20 0.25 -0.11 0.42 -1.57 0.00 0.00 175.55 174.74 3m4w s ILE 157 N -1.27 1.08 -0.03 2.71 1.01 -0.63 -0.21 121.20 123.86 3m4w s ILE 157 Ca 0.09 -0.42 0.04 0.00 0.00 0.00 0.00 60.65 60.36 3m4w s ILE 157 Cb -0.09 -1.02 -0.00 0.00 0.01 0.00 0.00 42.46 41.35 3m4w s ILE 157 CO 0.05 0.35 -0.15 0.54 0.00 0.00 0.00 174.94 175.73 3m4w s VAL 158 N 0.91 1.25 -0.22 2.92 0.11 0.19 -1.53 120.40 124.03 3m4w s VAL 158 Ca -0.10 -0.63 -0.05 0.00 -2.93 0.00 0.00 61.98 58.27 3m4w s VAL 158 Cb -0.15 -1.08 -0.01 0.00 -1.53 0.00 0.00 36.38 33.61 3m4w s VAL 158 CO 0.01 0.36 -0.01 0.26 -3.33 0.00 0.00 175.10 172.39 3m4w s TRP 159 N -0.03 2.99 0.05 1.54 0.51 -0.19 -0.57 118.94 123.24 3m4w s TRP 159 Ca -0.01 -0.78 0.08 0.00 -2.12 0.00 0.00 56.10 53.27 3m4w s TRP 159 Cb -0.10 -2.13 -0.03 0.00 -0.81 0.00 0.00 33.47 30.41 3m4w s TRP 159 CO 0.01 -0.48 -0.21 0.00 -0.51 0.00 0.00 176.95 175.76 3m4w s MET 160 N 1.46 1.40 -0.06 4.98 0.23 -0.78 -0.61 119.30 125.92 3m4w s MET 160 Ca 0.05 -0.98 -0.30 0.00 -1.03 0.00 0.00 55.69 53.43 3m4w s MET 160 Cb -0.14 -1.54 -0.05 0.00 -1.53 0.00 0.00 34.83 31.56 3m4w s MET 160 CO -0.01 0.39 1.56 0.34 -2.03 0.00 0.00 175.02 175.27 3m4w s ASP 161 N -1.27 6.73 0.55 -1.18 2.15 0.03 -1.06 116.67 122.62 3m4w s ASP 161 Ca 0.08 2.15 0.23 0.00 0.43 0.00 0.00 52.55 55.44 3m4w s ASP 161 Cb -0.09 -2.54 1.51 0.00 -0.30 0.00 0.00 42.92 41.50 3m4w s ASP 161 CO 0.02 -0.87 2.18 0.71 -0.17 0.00 0.00 175.17 177.04 3m4w h THR 162 N 5.43 0.77 0.00 1.71 1.35 -1.75 0.78 112.91 121.20 3m4w h THR 162 Ca -0.37 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 3m4w h THR 162 Cb 1.17 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 3m4w h THR 162 CO 0.95 0.03 -0.07 -0.08 -0.25 0.00 0.00 175.52 176.10 3m4w h GLU 163 N 0.00 0.00 0.00 4.72 4.81 -1.90 -3.40 114.58 118.81 3m4w h GLU 163 Ca -0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 3m4w h GLU 163 Cb 0.05 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3m4w h GLU 163 CO 0.00 0.00 -0.23 0.66 -0.73 0.00 0.00 179.01 178.71 3m4w h SER 164 N -0.25 0.00 0.00 1.04 4.64 -1.99 -3.47 113.55 113.53 3m4w h SER 164 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m4w h SER 164 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3m4w h SER 164 CO 0.00 0.23 0.00 0.29 -0.87 0.00 0.00 176.83 176.48 3m4w n LYS 165 N -3.25 -0.42 -2.81 4.77 4.76 0.27 -4.85 118.16 116.62 3m4w n LYS 165 Ca 0.01 0.11 -0.35 0.00 -2.87 0.00 0.00 58.31 55.21 3m4w n LYS 165 Cb 0.52 -3.42 -0.07 0.00 -1.84 0.00 0.00 35.03 30.23 3m4w n LYS 165 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3m4w s LEU 166 N 0.00 4.20 0.13 -0.35 1.43 -1.26 -4.10 118.68 118.73 3m4w s LEU 166 Ca 0.00 1.76 -0.31 0.00 -1.03 0.00 0.00 54.13 54.55 3m4w s LEU 166 Cb 0.00 -4.18 -0.08 0.00 0.03 0.00 0.00 46.19 41.96 3m4w s LEU 166 CO 0.00 -0.17 1.39 -2.16 0.23 0.00 0.00 176.35 175.65 3m4w s PRO 167 N -2.46 4.32 -0.12 1.29 0.04 -1.26 -0.79 135.00 136.03 3m4w s PRO 167 Ca 0.54 2.10 0.11 0.00 0.04 0.00 0.00 61.00 63.79 3m4w s PRO 167 Cb -0.15 -3.23 -0.16 0.00 0.04 0.00 0.00 34.50 31.00 3m4w s PRO 167 CO 0.20 -0.43 0.06 -1.33 0.04 0.00 0.00 177.00 175.54 3m4w n MET 168 N 3.78 1.84 -3.70 4.56 2.81 0.22 -4.82 117.12 121.80 3m4w n MET 168 Ca 0.11 -0.01 -0.14 0.00 -1.81 0.00 0.00 57.70 55.85 3m4w n MET 168 Cb 0.42 -1.32 -0.09 0.00 -0.71 0.00 0.00 33.22 31.52 3m4w n MET 168 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 3m4w s ARG 169 N -2.35 0.65 -0.12 0.03 3.52 -1.10 -0.23 118.95 119.35 3m4w s ARG 169 Ca -0.06 0.37 -0.05 0.00 -0.13 0.00 0.00 55.73 55.87 3m4w s ARG 169 Cb 0.04 0.31 0.06 0.00 -1.56 0.00 0.00 34.95 33.80 3m4w s ARG 169 CO 0.52 -0.13 0.24 0.08 -0.81 0.00 0.00 175.30 175.20 3m4w s VAL 170 N -0.37 -0.33 -0.16 7.11 1.01 -0.07 -1.02 120.40 126.57 3m4w s VAL 170 Ca -0.05 0.28 -0.02 0.00 0.00 0.00 0.00 61.98 62.18 3m4w s VAL 170 Cb -0.03 -0.40 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 3m4w s VAL 170 CO 0.03 0.12 -0.07 -1.81 0.00 0.00 0.00 175.10 173.36 3m4w s ASP 171 N 2.21 4.40 -0.31 3.32 1.11 -0.58 0.30 116.67 127.12 3m4w s ASP 171 Ca -0.00 -0.26 -0.15 0.00 0.18 0.00 0.00 52.55 52.32 3m4w s ASP 171 Cb -0.12 -1.71 -0.02 0.00 1.07 0.00 0.00 42.92 42.14 3m4w s ASP 171 CO -0.08 0.12 0.35 -0.22 1.18 0.00 0.00 175.17 176.52 3m4w s LEU 172 N 0.64 4.25 -0.05 1.23 2.96 0.48 -1.60 118.68 126.59 3m4w s LEU 172 Ca -0.04 -0.03 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 3m4w s LEU 172 Cb -0.15 -2.35 -0.03 0.00 0.50 0.00 0.00 46.19 44.16 3m4w s LEU 172 CO 0.03 -0.26 -0.08 -0.76 -1.32 0.00 0.00 176.35 173.95 3m4w s LEU 173 N 2.02 3.07 0.83 -0.68 1.43 0.68 -0.41 118.68 125.63 3m4w s LEU 173 Ca 0.12 -0.08 -0.12 0.00 -1.03 0.00 0.00 54.13 53.02 3m4w s LEU 173 Cb -0.16 -1.68 0.10 0.00 0.03 0.00 0.00 46.19 44.48 3m4w s LEU 173 CO 0.11 0.35 1.19 1.51 0.23 0.00 0.00 176.35 179.74 3m4w s ASP 174 N -0.89 4.29 0.00 2.29 3.84 0.73 -1.36 116.67 125.58 3m4w s ASP 174 Ca 0.13 0.74 0.00 0.00 -0.00 0.00 0.00 52.55 53.42 3m4w s ASP 174 Cb -0.11 -1.19 0.00 0.00 -1.38 0.00 0.00 42.92 40.24 3m4w s ASP 174 CO 0.02 -2.04 0.93 0.54 -0.00 0.00 0.00 175.17 174.62 3m4w n ARG 175 N -3.40 0.00 -0.75 2.11 1.74 -1.26 -1.94 116.66 113.16 3m4w n ARG 175 Ca 0.09 0.43 -0.03 0.00 -0.77 0.00 0.00 57.85 57.57 3m4w n ARG 175 Cb 0.61 -1.54 0.21 0.00 -1.02 0.00 0.00 32.46 30.71 3m4w n ARG 175 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3m4w n ASP 176 N -1.43 2.79 0.00 0.55 5.68 -1.26 -4.94 116.55 117.94 3m4w n ASP 176 Ca 0.00 -3.62 0.00 0.00 -0.50 0.00 0.00 54.79 50.67 3m4w n ASP 176 Cb 0.04 -0.63 0.00 0.00 -1.14 0.00 0.00 41.12 39.40 3m4w n ASP 176 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3m4w n GLY 177 N -1.02 1.96 3.78 6.12 0.00 -0.82 -5.02 105.19 110.19 3m4w n GLY 177 Ca 0.32 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.97 3m4w n GLY 177 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3m4w s GLU 178 N -0.02 4.44 -0.12 1.61 2.12 -1.26 -4.81 118.70 120.66 3m4w s GLU 178 Ca 0.00 1.40 -0.24 0.00 0.36 0.00 0.00 54.97 56.49 3m4w s GLU 178 Cb 0.00 -2.71 -0.03 0.00 0.26 0.00 0.00 34.13 31.66 3m4w s GLU 178 CO 0.00 0.13 0.77 0.99 -0.54 0.00 0.00 175.26 176.60 3m4w s THR 179 N -1.64 4.96 -0.13 -1.70 2.01 -1.26 -0.19 115.64 117.70 3m4w s THR 179 Ca 0.53 1.54 -0.00 0.00 0.31 0.00 0.00 61.69 64.07 3m4w s THR 179 Cb -0.20 -4.09 -0.24 0.00 0.01 0.00 0.00 72.50 67.98 3m4w s THR 179 CO 0.25 0.13 0.33 0.18 -0.69 0.00 0.00 174.62 174.83 3m4w n LEU 180 N 4.54 2.19 -3.57 4.42 4.77 0.46 -4.91 117.00 124.89 3m4w n LEU 180 Ca 0.02 0.19 -0.16 0.00 -0.03 0.00 0.00 56.01 56.03 3m4w n LEU 180 Cb 0.50 -0.74 -0.07 0.00 -2.33 0.00 0.00 43.42 40.78 3m4w n LEU 180 CO 0.48 0.75 0.39 -0.70 -1.33 0.00 0.00 177.39 176.98 3m4w s GLU 181 N -2.56 0.95 -0.04 3.23 2.12 -1.16 -4.47 118.70 116.78 3m4w s GLU 181 Ca -0.20 0.45 0.02 0.00 0.36 0.00 0.00 54.97 55.59 3m4w s GLU 181 Cb 0.07 0.45 0.01 0.00 0.26 0.00 0.00 34.13 34.93 3m4w s GLU 181 CO 0.76 -0.25 -0.06 -1.14 -0.54 0.00 0.00 175.26 174.03 3m4w s GLN 182 N -0.71 0.88 -0.19 4.30 0.74 -0.17 -0.38 119.66 124.13 3m4w s GLN 182 Ca -0.08 -0.18 -0.07 0.00 0.05 0.00 0.00 55.36 55.08 3m4w s GLN 182 Cb -0.02 -0.85 -0.04 0.00 1.10 0.00 0.00 33.01 33.21 3m4w s GLN 182 CO 0.07 -0.01 0.05 0.12 -0.55 0.00 0.00 175.29 174.97 3m4w s PHE 183 N 0.61 3.18 -0.07 1.67 5.36 0.15 -0.84 117.98 128.04 3m4w s PHE 183 Ca -0.09 -0.07 -0.03 0.00 -0.96 0.00 0.00 56.93 55.78 3m4w s PHE 183 Cb -0.12 -2.09 0.04 0.00 -0.34 0.00 0.00 43.02 40.52 3m4w s PHE 183 CO 0.01 0.04 0.12 0.50 -1.46 0.00 0.00 175.22 174.42 3m4w s ARG 184 N 0.58 -0.01 0.01 10.12 3.52 -0.59 -0.89 118.95 131.69 3m4w s ARG 184 Ca 0.02 0.45 -0.30 0.00 -0.13 0.00 0.00 55.73 55.77 3m4w s ARG 184 Cb -0.13 -0.47 -0.04 0.00 -1.56 0.00 0.00 34.95 32.75 3m4w s ARG 184 CO 0.01 -0.34 1.09 0.08 -0.81 0.00 0.00 175.30 175.33 3m4w s VAL 185 N 2.24 4.47 -0.19 7.11 1.01 0.67 -0.68 120.40 135.03 3m4w s VAL 185 Ca 0.04 1.77 0.13 0.00 0.00 0.00 0.00 61.98 63.92 3m4w s VAL 185 Cb -0.12 -4.14 -0.20 0.00 0.00 0.00 0.00 36.38 31.92 3m4w s VAL 185 CO -0.05 0.11 0.01 -0.38 0.00 0.00 0.00 175.10 174.79 3m4w n ILE 186 N 4.04 1.23 -3.52 2.22 2.08 0.28 -4.64 119.36 121.05 3m4w n ILE 186 Ca 0.08 -0.70 -0.18 0.00 0.56 0.00 0.00 62.75 62.51 3m4w n ILE 186 Cb 0.48 -0.69 -0.06 0.00 -0.75 0.00 0.00 39.64 38.62 3m4w n ILE 186 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3m4w s ALA 187 N -2.43 -1.76 0.22 -1.39 0.00 -0.82 -4.98 121.76 110.61 3m4w s ALA 187 Ca -0.13 1.31 -0.22 0.00 0.00 0.00 0.00 51.96 52.91 3m4w s ALA 187 Cb 0.06 0.00 0.06 0.00 0.00 0.00 0.00 23.12 23.24 3m4w s ALA 187 CO 0.68 -0.37 0.92 -0.59 0.00 0.00 0.00 175.76 176.40 3m4w s PHE 188 N -1.20 -0.03 0.06 0.00 -0.12 -1.26 0.20 117.98 115.63 3m4w s PHE 188 Ca -0.11 -0.40 -0.27 0.00 -0.05 0.00 0.00 56.93 56.10 3m4w s PHE 188 Cb -0.00 0.71 0.07 0.00 -0.63 0.00 0.00 43.02 43.17 3m4w s PHE 188 CO 0.10 -1.05 0.65 0.54 -0.05 0.00 0.00 175.22 175.41 3m4w s ASN 189 N -3.11 -0.60 -0.11 1.98 2.20 -0.93 -5.00 114.94 109.36 3m4w s ASN 189 Ca 0.16 0.33 0.03 0.00 -0.94 0.00 0.00 52.86 52.44 3m4w s ASN 189 Cb -0.03 0.56 -0.00 0.00 -2.00 0.00 0.00 41.25 39.78 3m4w s ASN 189 CO 0.06 -0.79 -0.21 -0.69 -2.94 0.00 0.00 177.10 172.53 3m4w s VAL 190 N -2.53 2.32 -0.08 3.54 1.01 -1.26 -2.03 120.40 121.37 3m4w s VAL 190 Ca -0.04 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 61.01 3m4w s VAL 190 Cb -0.01 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 3m4w s VAL 190 CO -0.02 0.55 -0.04 0.20 0.00 0.00 0.00 175.10 175.78 3m4w s ASN 191 N 0.43 4.86 0.19 3.32 0.01 -0.48 -4.99 114.94 118.27 3m4w s ASN 191 Ca -0.15 0.03 -0.00 0.00 -0.71 0.00 0.00 52.86 52.03 3m4w s ASN 191 Cb -0.17 -1.32 0.11 0.00 0.41 0.00 0.00 41.25 40.28 3m4w s ASN 191 CO 0.06 0.35 1.47 1.56 -1.51 0.00 0.00 177.10 179.04 3m4w h GLN 192 N 5.32 0.37 -6.40 -0.60 4.20 -2.00 -3.36 115.11 112.64 3m4w h GLN 192 Ca -0.48 -0.29 -0.61 0.00 0.06 0.00 0.00 58.65 57.33 3m4w h GLN 192 Cb 1.18 0.05 -0.19 0.00 0.30 0.00 0.00 27.48 28.82 3m4w h GLN 192 CO 0.54 0.92 -0.82 0.34 -0.67 0.00 0.00 178.83 179.14 3m4w s ASP 193 N -6.95 3.11 0.28 1.46 2.15 -1.26 -4.95 116.67 110.51 3m4w s ASP 193 Ca -0.05 -0.83 -0.30 0.00 0.43 0.00 0.00 52.55 51.79 3m4w s ASP 193 Cb 0.11 -0.21 -0.11 0.00 -0.30 0.00 0.00 42.92 42.41 3m4w s ASP 193 CO 0.83 0.08 1.57 0.27 -0.17 0.00 0.00 175.17 177.75 3m4w s ILE 194 N -1.66 2.17 0.90 4.11 -0.00 -1.26 -5.01 121.20 120.45 3m4w s ILE 194 Ca 0.17 0.15 -0.12 0.00 -0.00 0.00 0.00 60.65 60.85 3m4w s ILE 194 Cb -0.08 -3.09 0.13 0.00 -0.00 0.00 0.00 42.46 39.42 3m4w s ILE 194 CO 0.08 0.02 1.10 -0.94 -0.00 0.00 0.00 174.94 175.20 3m4w s SER 195 N 0.50 3.51 0.23 4.36 1.04 -1.26 -4.94 113.70 117.14 3m4w s SER 195 Ca 0.63 1.29 0.10 0.00 0.48 0.00 0.00 55.95 58.45 3m4w s SER 195 Cb -0.47 -1.96 0.18 0.00 0.10 0.00 0.00 66.02 63.87 3m4w s SER 195 CO 0.46 -2.59 1.51 -1.28 0.98 0.00 0.00 173.24 172.32 3m4w h SER 196 N -1.52 0.00 0.40 7.02 0.87 -1.99 -2.97 113.55 115.36 3m4w h SER 196 Ca -0.50 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.01 3m4w h SER 196 Cb 1.30 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.25 3m4w h SER 196 CO 0.58 0.73 -0.24 0.28 -0.53 0.00 0.00 176.83 177.64 3m4w h SER 197 N 0.00 0.00 0.55 6.23 0.02 -2.00 -1.79 113.55 116.56 3m4w h SER 197 Ca -0.01 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.66 3m4w h SER 197 Cb 1.31 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.81 3m4w h SER 197 CO 0.09 0.24 -1.57 0.24 -1.14 0.00 0.00 176.83 174.70 3m4w h MET 198 N 0.00 0.05 -0.90 3.45 2.07 -1.95 -3.19 114.93 114.47 3m4w h MET 198 Ca -0.00 -0.09 0.00 0.00 -2.07 0.00 0.00 59.70 57.54 3m4w h MET 198 Cb 0.51 0.03 -0.04 0.00 -1.87 0.00 0.00 31.60 30.23 3m4w h MET 198 CO 0.03 0.73 0.57 0.37 1.07 0.00 0.00 176.91 179.69 3m4w h GLN 199 N 0.01 1.21 -0.05 1.72 4.15 -1.28 -1.05 115.11 119.82 3m4w h GLN 199 Ca -0.24 -0.09 -0.12 0.00 0.77 0.00 0.00 58.65 58.97 3m4w h GLN 199 Cb 1.97 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 29.38 3m4w h GLN 199 CO 0.10 0.82 -0.52 1.15 -1.93 0.00 0.00 178.83 178.45 3m4w h THR 200 N 1.24 1.37 -0.73 2.39 2.02 -1.44 -2.97 112.91 114.79 3m4w h THR 200 Ca 0.33 -1.80 0.01 0.00 0.77 0.00 0.00 66.41 65.72 3m4w h THR 200 Cb -0.10 1.92 -0.04 0.00 -1.74 0.00 0.00 68.15 68.19 3m4w h THR 200 CO -0.07 0.52 0.48 0.25 0.37 0.00 0.00 175.52 177.07 3m4w h LEU 201 N 0.10 0.81 -1.32 2.58 6.46 -1.18 0.51 115.31 123.27 3m4w h LEU 201 Ca 0.00 -0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.79 3m4w h LEU 201 Cb 0.96 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.65 3m4w h LEU 201 CO 0.08 0.58 0.49 0.00 -0.62 0.00 0.00 178.44 178.97 3m4w h ALA 202 N 1.28 1.60 0.00 1.25 0.00 -1.30 -1.54 119.26 120.55 3m4w h ALA 202 Ca 0.27 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3m4w h ALA 202 Cb -0.08 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 3m4w h ALA 202 CO -0.07 0.31 -0.44 0.87 0.00 0.00 0.00 179.25 179.92 3m4w h LYS 203 N 0.86 0.00 -6.06 0.00 1.79 -1.21 -3.48 116.57 108.47 3m4w h LYS 203 Ca 0.30 0.00 -0.65 0.00 -2.18 0.00 0.00 60.65 58.12 3m4w h LYS 203 Cb 0.12 0.00 0.12 0.00 -1.58 0.00 0.00 32.23 30.89 3m4w h LYS 203 CO -0.09 0.01 -0.52 0.00 -1.08 0.00 0.00 179.45 177.77 3m4w n ALA 204 N -2.14 -2.57 -2.95 3.86 0.00 0.16 -4.83 120.51 112.05 3m4w n ALA 204 Ca 0.02 0.37 -0.44 0.00 0.00 0.00 0.00 53.44 53.40 3m4w n ALA 204 Cb 0.55 -1.64 -0.01 0.00 0.00 0.00 0.00 19.45 18.35 3m4w n ALA 204 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3m4w s ASN 205 N -0.95 6.88 0.39 0.00 3.84 -1.26 -5.00 114.94 118.82 3m4w s ASN 205 Ca 0.63 -2.58 -0.23 0.00 0.21 0.00 0.00 52.86 50.89 3m4w s ASN 205 Cb -0.85 -2.40 -0.11 0.00 -0.55 0.00 0.00 41.25 37.35 3m4w s ASN 205 CO 0.57 -0.88 0.95 -0.76 -2.79 0.00 0.00 177.10 174.19 3m4w s LEU 206 N 2.02 4.10 0.61 3.21 1.02 -1.26 -5.02 118.68 123.36 3m4w s LEU 206 Ca 0.38 1.75 -0.18 0.00 0.02 0.00 0.00 54.13 56.10 3m4w s LEU 206 Cb -0.04 -4.33 -0.05 0.00 0.02 0.00 0.00 46.19 41.80 3m4w s LEU 206 CO -0.04 -0.25 0.89 -0.81 0.02 0.00 0.00 176.35 176.16 3m4w n PRO 207 N -0.16 0.78 -1.77 1.29 -0.04 -1.26 -4.92 135.00 128.92 3m4w n PRO 207 Ca 0.05 0.31 -0.41 0.00 -0.04 0.00 0.00 63.50 63.41 3m4w n PRO 207 Cb 0.52 -2.10 0.01 0.00 -0.04 0.00 0.00 33.50 31.89 3m4w n PRO 207 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3m4w n PRO 208 N -0.98 2.57 -1.98 0.54 -0.04 -1.26 -4.39 135.00 129.45 3m4w n PRO 208 Ca 0.14 0.91 -0.42 0.00 -0.04 0.00 0.00 63.50 64.08 3m4w n PRO 208 Cb 0.48 -2.67 -0.03 0.00 -0.04 0.00 0.00 33.50 31.24 3m4w n PRO 208 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3m4w s LEU 209 N -2.29 4.37 0.24 1.53 2.96 -1.26 -2.83 118.68 121.40 3m4w s LEU 209 Ca 0.56 2.58 -0.06 0.00 -0.22 0.00 0.00 54.13 56.98 3m4w s LEU 209 Cb -0.46 -3.60 -0.06 0.00 0.50 0.00 0.00 46.19 42.57 3m4w s LEU 209 CO 0.62 -0.79 0.51 -0.76 -1.32 0.00 0.00 176.35 174.61 3m4w s LEU 210 N 0.97 4.14 -0.16 -0.68 1.02 0.18 -4.92 118.68 119.23 3m4w s LEU 210 Ca 0.68 0.74 -0.06 0.00 0.02 0.00 0.00 54.13 55.50 3m4w s LEU 210 Cb -0.43 -3.52 -0.04 0.00 0.02 0.00 0.00 46.19 42.23 3m4w s LEU 210 CO 0.32 -0.10 0.06 -0.55 0.02 0.00 0.00 176.35 176.09 3m4w s SER 211 N -2.78 5.61 -0.08 2.29 0.15 -1.26 -4.83 113.70 112.80 3m4w s SER 211 Ca 0.44 0.13 -0.05 0.00 0.70 0.00 0.00 55.95 57.17 3m4w s SER 211 Cb -0.11 -1.89 0.03 0.00 -1.71 0.00 0.00 66.02 62.34 3m4w s SER 211 CO 0.26 0.23 0.20 -0.69 1.20 0.00 0.00 173.24 174.45 3m4w s VAL 212 N 0.00 -0.03 0.08 4.45 1.01 -1.26 -5.12 120.40 119.54 3m4w s VAL 212 Ca 0.06 0.10 -0.35 0.00 0.00 0.00 0.00 61.98 61.79 3m4w s VAL 212 Cb -0.12 -0.30 -0.14 0.00 0.00 0.00 0.00 36.38 35.82 3m4w s VAL 212 CO 0.01 0.04 1.62 -0.81 0.00 0.00 0.00 175.10 175.96 3m4w n PRO 213 N 3.74 1.97 -3.65 2.72 -0.04 -1.26 -4.96 135.00 133.52 3m4w n PRO 213 Ca -0.21 0.71 -0.21 0.00 -0.04 0.00 0.00 63.50 63.75 3m4w n PRO 213 Cb 0.55 -2.48 -0.17 0.00 -0.04 0.00 0.00 33.50 31.36 3m4w n PRO 213 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3m4w s VAL 214 N 1.66 -0.13 0.00 0.52 1.01 -1.26 -4.84 120.40 117.36 3m4w s VAL 214 Ca 0.84 0.26 0.00 0.00 0.00 0.00 0.00 61.98 63.07 3m4w s VAL 214 Cb -0.74 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 35.35 3m4w s VAL 214 CO 0.43 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.19 3m4w n GLY 215 N 5.30 1.38 3.72 4.51 0.00 -1.26 -5.09 105.19 113.75 3m4w n GLY 215 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3m4w n GLY 215 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m4w s GLU 216 N 0.00 4.30 -0.54 1.61 2.02 -1.26 -4.91 118.70 119.92 3m4w s GLU 216 Ca 0.00 2.15 0.06 0.00 0.02 0.00 0.00 54.97 57.20 3m4w s GLU 216 Cb 0.00 -3.21 0.36 0.00 0.10 0.00 0.00 34.13 31.37 3m4w s GLU 216 CO 0.00 -0.46 0.97 1.63 0.02 0.00 0.00 175.26 177.41 3m4w n LYS 217 N 3.78 3.11 -1.42 1.61 4.01 -1.24 -2.47 118.16 125.54 3m4w n LYS 217 Ca 0.11 -4.69 -0.38 0.00 -0.51 0.00 0.00 58.31 52.85 3m4w n LYS 217 Cb 0.41 -2.19 0.05 0.00 -0.51 0.00 0.00 35.03 32.79 3m4w n LYS 217 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3m4w n ALA 218 N -0.26 -1.20 -2.92 7.82 0.00 -0.07 -4.94 120.51 118.94 3m4w n ALA 218 Ca 0.32 -0.08 -0.36 0.00 0.00 0.00 0.00 53.44 53.32 3m4w n ALA 218 Cb 0.46 -1.84 -0.11 0.00 0.00 0.00 0.00 19.45 17.95 3m4w n ALA 218 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3m4w s LYS 219 N -2.29 3.79 0.06 0.00 3.01 -1.26 -4.87 119.74 118.18 3m4w s LYS 219 Ca 0.68 -0.42 0.05 0.00 -1.01 0.00 0.00 55.97 55.27 3m4w s LYS 219 Cb -0.42 -3.30 -0.03 0.00 -1.01 0.00 0.00 37.83 33.07 3m4w s LYS 219 CO 0.55 -0.02 -0.15 -0.06 0.51 0.00 0.00 175.35 176.18 3m4w s PHE 220 N 1.18 1.26 -0.76 3.18 2.99 -1.26 -5.04 117.98 119.52 3m4w s PHE 220 Ca 0.05 -0.43 0.26 0.00 0.00 0.00 0.00 56.93 56.81 3m4w s PHE 220 Cb -0.14 -0.72 0.77 0.00 0.00 0.00 0.00 43.02 42.93 3m4w s PHE 220 CO 0.04 0.06 1.69 -1.13 -0.00 0.00 0.00 175.22 175.88 3m4w n SER 221 N 1.44 0.66 -4.88 1.36 3.41 -1.26 -4.80 113.62 109.56 3m4w n SER 221 Ca -0.20 0.44 -0.36 0.00 -0.26 0.00 0.00 58.87 58.49 3m4w n SER 221 Cb 0.54 -0.52 -0.06 0.00 -0.26 0.00 0.00 64.21 63.91 3m4w n SER 221 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 3m4w s TRP 222 N -3.09 3.61 -0.02 7.33 1.48 -1.26 -2.63 118.94 124.36 3m4w s TRP 222 Ca 0.10 0.61 0.01 0.00 -1.06 0.00 0.00 56.10 55.76 3m4w s TRP 222 Cb 0.14 -2.01 0.02 0.00 -1.16 0.00 0.00 33.47 30.46 3m4w s TRP 222 CO 0.62 0.68 -0.01 -0.08 -4.06 0.00 0.00 176.95 174.10 3m4w s THR 223 N -1.14 0.19 -0.80 0.66 -1.32 -0.44 -4.92 115.64 107.87 3m4w s THR 223 Ca 0.21 0.01 -0.25 0.00 -1.21 0.00 0.00 61.69 60.44 3m4w s THR 223 Cb -0.13 -0.23 -0.03 0.00 -1.51 0.00 0.00 72.50 70.59 3m4w s THR 223 CO 0.10 0.11 1.87 -2.84 -2.21 0.00 0.00 174.62 171.65 3m4w s PRO 224 N 0.58 2.65 0.32 7.08 0.02 -1.26 -0.79 135.00 143.59 3m4w s PRO 224 Ca -0.06 0.01 0.03 0.00 0.02 0.00 0.00 61.00 61.00 3m4w s PRO 224 Cb -0.09 -4.80 0.62 0.00 0.02 0.00 0.00 34.50 30.25 3m4w s PRO 224 CO -0.01 -3.05 1.90 1.15 -0.33 0.00 0.00 177.00 176.65 3m4w h THR 225 N 7.07 0.99 -4.41 0.99 2.02 -1.15 -3.42 112.91 114.99 3m4w h THR 225 Ca -0.04 -0.32 -0.68 0.00 0.77 0.00 0.00 66.41 66.14 3m4w h THR 225 Cb 1.06 -0.01 -0.30 0.00 -1.74 0.00 0.00 68.15 67.16 3m4w h THR 225 CO 1.23 0.17 -0.88 0.86 0.37 0.00 0.00 175.52 177.26 3m4w s TRP 226 N -5.84 2.28 -0.11 3.16 -0.00 -1.26 -5.08 118.94 112.09 3m4w s TRP 226 Ca -0.11 -0.50 -0.11 0.00 -0.00 0.00 0.00 56.10 55.38 3m4w s TRP 226 Cb 0.21 -1.47 0.03 0.00 -0.00 0.00 0.00 33.47 32.23 3m4w s TRP 226 CO 0.80 -0.09 0.31 -0.51 -0.00 0.00 0.00 176.95 177.46 3m4w s LEU 227 N -0.46 0.81 0.78 5.86 1.43 -1.26 -4.73 118.68 121.11 3m4w s LEU 227 Ca 0.06 0.59 -0.14 0.00 -1.03 0.00 0.00 54.13 53.61 3m4w s LEU 227 Cb -0.11 1.09 0.06 0.00 0.03 0.00 0.00 46.19 47.27 3m4w s LEU 227 CO 0.00 -0.13 1.22 -0.81 0.23 0.00 0.00 176.35 176.85 3m4w n PRO 228 N 2.78 0.36 -1.67 1.29 -0.04 -1.26 -4.83 135.00 131.63 3m4w n PRO 228 Ca -0.14 0.19 -0.41 0.00 -0.04 0.00 0.00 63.50 63.11 3m4w n PRO 228 Cb 0.58 -2.45 -0.03 0.00 -0.04 0.00 0.00 33.50 31.55 3m4w n PRO 228 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3m4w s GLN 229 N -3.96 2.89 0.00 0.54 -1.52 -1.26 -2.88 119.66 113.46 3m4w s GLN 229 Ca 0.75 1.73 0.00 0.00 -1.95 0.00 0.00 55.36 55.90 3m4w s GLN 229 Cb -0.31 -4.40 0.00 0.00 -0.22 0.00 0.00 33.01 28.08 3m4w s GLN 229 CO 0.49 -2.38 0.00 0.41 -0.25 0.00 0.00 175.29 173.56 3m4w n GLY 230 N 5.77 1.44 3.83 3.09 0.00 -1.26 -4.83 105.19 113.23 3m4w n GLY 230 Ca 0.30 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.00 3m4w n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3m4w s PHE 231 N -0.79 3.27 0.09 1.61 0.40 -1.14 -4.34 117.98 117.08 3m4w s PHE 231 Ca 0.00 1.47 -0.20 0.00 -0.60 0.00 0.00 56.93 57.60 3m4w s PHE 231 Cb 0.00 -2.88 0.05 0.00 0.51 0.00 0.00 43.02 40.70 3m4w s PHE 231 CO 0.00 -0.72 0.48 -1.54 0.70 0.00 0.00 175.22 174.15 3m4w s SER 232 N -3.04 -0.37 0.09 1.36 1.04 -1.03 -4.95 113.70 106.79 3m4w s SER 232 Ca 0.61 -0.04 -0.30 0.00 0.48 0.00 0.00 55.95 56.70 3m4w s SER 232 Cb -0.13 0.50 -0.05 0.00 0.10 0.00 0.00 66.02 66.44 3m4w s SER 232 CO 0.36 -0.80 1.01 -0.70 0.98 0.00 0.00 173.24 174.08 3m4w s GLU 233 N -3.11 4.63 0.00 4.02 2.12 -1.26 -2.29 118.70 122.80 3m4w s GLU 233 Ca -0.02 1.51 0.02 0.00 0.36 0.00 0.00 54.97 56.84 3m4w s GLU 233 Cb 0.00 -3.38 0.03 0.00 0.26 0.00 0.00 34.13 31.04 3m4w s GLU 233 CO -0.07 0.09 0.75 1.33 -0.54 0.00 0.00 175.26 176.82 3m4w n VAL 234 N 3.10 0.39 -3.63 3.70 0.24 -0.44 -4.98 118.33 116.72 3m4w n VAL 234 Ca 0.04 -0.69 -0.04 0.00 -2.04 0.00 0.00 64.34 61.61 3m4w n VAL 234 Cb 0.49 0.83 -0.04 0.00 -1.47 0.00 0.00 33.84 33.65 3m4w n VAL 234 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3m4w s SER 235 N -0.49 -0.11 -0.23 -1.34 0.15 -1.23 -4.98 113.70 105.48 3m4w s SER 235 Ca 0.03 0.10 -0.03 0.00 0.70 0.00 0.00 55.95 56.75 3m4w s SER 235 Cb 0.02 0.09 0.12 0.00 -1.71 0.00 0.00 66.02 64.54 3m4w s SER 235 CO 0.03 -0.11 0.34 -0.55 1.20 0.00 0.00 173.24 174.15 3m4w s SER 236 N -1.21 0.44 0.11 5.45 0.15 -1.03 -2.17 113.70 115.44 3m4w s SER 236 Ca 0.07 0.20 0.03 0.00 0.70 0.00 0.00 55.95 56.95 3m4w s SER 236 Cb -0.01 0.97 -0.04 0.00 -1.71 0.00 0.00 66.02 65.23 3m4w s SER 236 CO -0.06 -0.30 -0.08 -0.55 1.20 0.00 0.00 173.24 173.46 3m4w s SER 237 N 2.50 1.33 -0.52 5.45 0.15 -0.00 -0.89 113.70 121.72 3m4w s SER 237 Ca 0.10 -0.97 0.03 0.00 0.70 0.00 0.00 55.95 55.82 3m4w s SER 237 Cb -0.15 0.06 0.41 0.00 -1.71 0.00 0.00 66.02 64.63 3m4w s SER 237 CO -0.15 -0.40 1.37 -2.11 1.20 0.00 0.00 173.24 173.16 3m4w n ARG 238 N 0.05 3.27 -2.17 5.44 1.85 -1.26 -0.85 116.66 123.00 3m4w n ARG 238 Ca -0.13 -4.18 -0.35 0.00 -1.00 0.00 0.00 57.85 52.20 3m4w n ARG 238 Cb 0.60 -2.26 -0.04 0.00 -1.05 0.00 0.00 32.46 29.71 3m4w n ARG 238 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 3m4w n ARG 239 N -0.55 2.18 -3.18 2.89 1.85 -0.87 -4.63 116.66 114.34 3m4w n ARG 239 Ca 0.44 -2.71 -0.03 0.00 -1.00 0.00 0.00 57.85 54.56 3m4w n ARG 239 Cb 0.61 -3.59 -0.00 0.00 -1.05 0.00 0.00 32.46 28.43 3m4w n ARG 239 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 3m4w n MET 247 N 8.15 -1.00 -2.97 2.89 2.00 -1.26 -4.45 117.12 120.48 3m4w n MET 247 Ca 0.47 -0.24 -0.40 0.00 0.00 0.00 0.00 57.70 57.53 3m4w n MET 247 Cb 0.46 0.23 -0.05 0.00 0.00 0.00 0.00 33.22 33.86 3m4w n MET 247 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3m4w s PRO 248 N -4.22 4.48 -0.07 0.03 0.04 -1.26 -5.07 135.00 128.93 3m4w s PRO 248 Ca 0.02 1.03 0.03 0.00 0.04 0.00 0.00 61.00 62.12 3m4w s PRO 248 Cb -0.01 -3.42 0.01 0.00 0.04 0.00 0.00 34.50 31.12 3m4w s PRO 248 CO 0.07 0.13 -0.15 0.42 0.04 0.00 0.00 177.00 177.51 3m4w s ILE 249 N 0.50 1.35 -0.66 0.56 1.01 -1.26 -4.61 121.20 118.09 3m4w s ILE 249 Ca 0.40 -0.60 -0.10 0.00 0.00 0.00 0.00 60.65 60.35 3m4w s ILE 249 Cb -0.19 -1.21 0.17 0.00 0.01 0.00 0.00 42.46 41.24 3m4w s ILE 249 CO 0.21 0.40 0.55 -1.61 0.00 0.00 0.00 174.94 174.50 3m4w s GLU 250 N 0.58 3.00 -0.05 2.79 2.02 -0.74 -2.04 118.70 124.25 3m4w s GLU 250 Ca -0.15 -2.23 -0.14 0.00 0.02 0.00 0.00 54.97 52.46 3m4w s GLU 250 Cb -0.16 -4.12 -0.05 0.00 0.10 0.00 0.00 34.13 29.90 3m4w s GLU 250 CO 0.05 -1.24 0.36 0.45 0.02 0.00 0.00 175.26 174.90 3m4w s SER 251 N 2.06 6.69 -0.30 -0.19 0.15 -0.03 -2.52 113.70 119.56 3m4w s SER 251 Ca 0.13 0.81 0.00 0.00 0.70 0.00 0.00 55.95 57.60 3m4w s SER 251 Cb -0.19 -2.22 0.09 0.00 -1.71 0.00 0.00 66.02 61.99 3m4w s SER 251 CO -0.04 0.26 0.06 -0.60 1.20 0.00 0.00 173.24 174.13 3m4w s ARG 252 N -0.64 0.99 0.12 5.44 3.52 -0.69 -0.82 118.95 126.87 3m4w s ARG 252 Ca 0.22 -1.20 -0.30 0.00 -0.13 0.00 0.00 55.73 54.32 3m4w s ARG 252 Cb -0.15 -2.34 -0.06 0.00 -1.56 0.00 0.00 34.95 30.84 3m4w s ARG 252 CO 0.10 -0.91 1.01 -1.17 -0.81 0.00 0.00 175.30 173.52 3m4w s LEU 253 N 1.45 4.48 0.21 -0.88 2.96 -0.92 -1.64 118.68 124.33 3m4w s LEU 253 Ca 0.07 1.87 0.08 0.00 -0.22 0.00 0.00 54.13 55.93 3m4w s LEU 253 Cb -0.18 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 42.87 3m4w s LEU 253 CO -0.18 -0.13 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.26 3m4w s TYR 254 N 0.05 1.75 -0.24 5.38 1.51 0.50 -1.32 117.35 124.98 3m4w s TYR 254 Ca 0.48 -0.55 -0.26 0.00 -1.01 0.00 0.00 57.07 55.74 3m4w s TYR 254 Cb -0.25 -0.81 0.07 0.00 -0.11 0.00 0.00 41.96 40.86 3m4w s TYR 254 CO 0.31 0.38 0.74 0.45 -1.11 0.00 0.00 175.55 176.32 3m4w s SER 255 N -3.28 -0.71 -0.02 2.29 0.15 -0.97 -1.87 113.70 109.28 3m4w s SER 255 Ca 0.22 1.30 0.19 0.00 0.70 0.00 0.00 55.95 58.36 3m4w s SER 255 Cb -0.01 1.30 0.55 0.00 -1.71 0.00 0.00 66.02 66.15 3m4w s SER 255 CO 0.07 -0.29 1.46 -0.90 1.20 0.00 0.00 173.24 174.79 3m4w n ASP 256 N 2.41 3.75 0.00 5.45 3.85 -0.72 -2.46 116.55 128.84 3m4w n ASP 256 Ca -0.14 -2.07 0.00 0.00 -0.71 0.00 0.00 54.79 51.87 3m4w n ASP 256 Cb 0.55 -0.43 0.00 0.00 -1.35 0.00 0.00 41.12 39.90 3m4w n ASP 256 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3m4w n GLY 257 N 1.22 2.60 1.20 6.12 0.00 -1.26 -4.80 105.19 110.27 3m4w n GLY 257 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3m4w n GLY 257 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3m4w n LEU 258 N 0.00 0.37 -4.82 0.99 7.94 -1.26 -4.64 117.00 115.58 3m4w n LEU 258 Ca 0.00 0.09 -0.28 0.00 -1.11 0.00 0.00 56.01 54.70 3m4w n LEU 258 Cb 0.00 -0.08 -0.05 0.00 0.53 0.00 0.00 43.42 43.81 3m4w n LEU 258 CO 0.00 -0.38 -0.22 -0.36 -1.11 0.00 0.00 177.39 175.32 3m4w s PHE 259 N -2.00 3.24 0.06 1.96 0.08 -1.26 -4.83 117.98 115.22 3m4w s PHE 259 Ca 0.00 0.06 -0.00 0.00 0.12 0.00 0.00 56.93 57.11 3m4w s PHE 259 Cb 0.00 -1.60 -0.04 0.00 -0.57 0.00 0.00 43.02 40.81 3m4w s PHE 259 CO 0.00 0.53 -0.04 -1.54 -0.10 0.00 0.00 175.22 174.07 3m4w s SER 260 N -2.76 0.62 -0.07 1.36 1.04 -1.26 -1.75 113.70 110.89 3m4w s SER 260 Ca 0.31 -0.92 -0.29 0.00 0.48 0.00 0.00 55.95 55.53 3m4w s SER 260 Cb -0.11 0.16 0.11 0.00 0.10 0.00 0.00 66.02 66.27 3m4w s SER 260 CO 0.24 -0.51 0.92 0.72 0.98 0.00 0.00 173.24 175.58 3m4w s PHE 261 N -3.42 -0.37 0.02 5.02 -0.12 -0.78 -1.89 117.98 116.44 3m4w s PHE 261 Ca 0.04 0.42 0.06 0.00 -0.05 0.00 0.00 56.93 57.41 3m4w s PHE 261 Cb 0.04 0.50 -0.03 0.00 -0.63 0.00 0.00 43.02 42.90 3m4w s PHE 261 CO -0.07 -0.47 -0.17 -1.54 -0.05 0.00 0.00 175.22 172.91 3m4w s SER 262 N -1.91 3.85 -0.34 1.98 1.04 0.35 -0.37 113.70 118.30 3m4w s SER 262 Ca 0.02 -0.38 -0.07 0.00 0.48 0.00 0.00 55.95 55.99 3m4w s SER 262 Cb -0.01 -0.66 0.04 0.00 0.10 0.00 0.00 66.02 65.49 3m4w s SER 262 CO -0.04 0.27 0.12 -0.69 0.98 0.00 0.00 173.24 173.89 3m4w s VAL 263 N -0.89 3.95 -0.13 5.02 1.01 -0.65 -1.50 120.40 127.20 3m4w s VAL 263 Ca 0.14 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 3m4w s VAL 263 Cb -0.11 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 3m4w s VAL 263 CO 0.05 -0.18 -0.04 0.20 0.00 0.00 0.00 175.10 175.13 3m4w s ASN 264 N 1.44 4.86 -0.05 3.32 0.01 0.89 -1.70 114.94 123.70 3m4w s ASN 264 Ca -0.01 -0.06 0.02 0.00 -0.71 0.00 0.00 52.86 52.11 3m4w s ASN 264 Cb -0.19 -1.61 0.01 0.00 0.41 0.00 0.00 41.25 39.87 3m4w s ASN 264 CO 0.04 0.24 -0.11 -0.69 -1.51 0.00 0.00 177.10 175.07 3m4w s VAL 265 N -0.09 0.99 0.11 1.60 1.01 -1.05 -0.37 120.40 122.61 3m4w s VAL 265 Ca 0.02 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.53 3m4w s VAL 265 Cb -0.13 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 3m4w s VAL 265 CO 0.02 0.32 0.15 0.54 0.00 0.00 0.00 175.10 176.13 3m4w s ASN 266 N 0.60 0.20 0.04 3.32 4.22 -1.08 -1.80 114.94 120.45 3m4w s ASN 266 Ca -0.12 -0.87 -0.31 0.00 -2.14 0.00 0.00 52.86 49.42 3m4w s ASN 266 Cb -0.14 0.33 -0.07 0.00 1.28 0.00 0.00 41.25 42.65 3m4w s ASN 266 CO 0.03 -0.75 1.51 -0.60 -2.04 0.00 0.00 177.10 175.25 3m4w s ARG 267 N -3.93 4.25 0.73 3.55 3.52 -1.26 0.29 118.95 126.09 3m4w s ARG 267 Ca 0.12 2.14 -0.16 0.00 -0.13 0.00 0.00 55.73 57.70 3m4w s ARG 267 Cb 0.06 -3.54 0.01 0.00 -1.56 0.00 0.00 34.95 29.91 3m4w s ARG 267 CO -0.06 -0.63 0.91 0.00 -0.81 0.00 0.00 175.30 174.72 3m4w n ALA 268 N 5.28 -0.45 -2.74 6.12 0.00 0.16 -4.61 120.51 124.27 3m4w n ALA 268 Ca 0.14 -0.21 -0.33 0.00 0.00 0.00 0.00 53.44 53.04 3m4w n ALA 268 Cb 0.42 -2.08 -0.08 0.00 0.00 0.00 0.00 19.45 17.71 3m4w n ALA 268 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3m4w s THR 269 N -1.86 1.23 0.22 0.00 -4.23 -1.26 -4.89 115.64 104.85 3m4w s THR 269 Ca 0.72 -1.99 -0.08 0.00 -1.18 0.00 0.00 61.69 59.17 3m4w s THR 269 Cb -0.34 -2.21 0.17 0.00 1.34 0.00 0.00 72.50 71.46 3m4w s THR 269 CO 0.52 0.00 1.73 -0.65 -0.54 0.00 0.00 174.62 175.68 3m4w h PRO 270 N 1.36 0.39 -1.59 3.99 0.11 -2.02 -3.18 132.00 131.05 3m4w h PRO 270 Ca -0.44 -0.02 -0.64 0.00 0.11 0.00 0.00 66.00 65.01 3m4w h PRO 270 Cb 1.31 -0.09 -0.38 0.00 0.11 0.00 0.00 31.00 31.95 3m4w h PRO 270 CO 0.74 0.26 -0.22 -1.13 -0.21 0.00 0.00 178.00 177.44 3m4w n SER 271 N -5.02 5.54 -4.94 -2.05 3.41 -1.26 -5.03 113.62 104.28 3m4w n SER 271 Ca 0.11 -3.76 -0.24 0.00 -0.26 0.00 0.00 58.87 54.72 3m4w n SER 271 Cb 0.33 -0.63 0.04 0.00 -0.26 0.00 0.00 64.21 63.69 3m4w n SER 271 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3m4w s SER 272 N -2.85 5.36 -0.03 4.04 0.01 -1.21 -5.11 113.70 113.91 3m4w s SER 272 Ca 0.50 0.38 -0.30 0.00 1.31 0.00 0.00 55.95 57.84 3m4w s SER 272 Cb 0.41 -1.31 0.08 0.00 0.21 0.00 0.00 66.02 65.42 3m4w s SER 272 CO -0.23 -1.15 0.72 0.42 0.41 0.00 0.00 173.24 173.41 3m4w s THR 273 N -2.91 0.00 0.37 1.44 -4.23 -1.26 -5.02 115.64 104.03 3m4w s THR 273 Ca 0.55 0.00 -0.28 0.00 -1.18 0.00 0.00 61.69 60.79 3m4w s THR 273 Cb -0.10 -1.00 -0.10 0.00 1.34 0.00 0.00 72.50 72.63 3m4w s THR 273 CO 0.42 0.00 1.40 -1.81 -0.54 0.00 0.00 174.62 174.09 3m4w s ASP 274 N -1.48 6.42 0.02 3.99 -0.00 -1.26 -4.75 116.67 119.62 3m4w s ASP 274 Ca -0.07 2.87 -0.07 0.00 -0.00 0.00 0.00 52.55 55.28 3m4w s ASP 274 Cb -0.00 -2.66 -0.00 0.00 -0.00 0.00 0.00 42.92 40.26 3m4w s ASP 274 CO 0.04 -0.80 0.13 -1.10 -0.00 0.00 0.00 175.17 173.44 3m4w s GLN 275 N -2.06 0.55 -0.33 8.23 -0.21 0.63 -4.93 119.66 121.55 3m4w s GLN 275 Ca 0.53 -0.57 0.01 0.00 0.02 0.00 0.00 55.36 55.35 3m4w s GLN 275 Cb -0.43 0.22 0.14 0.00 1.00 0.00 0.00 33.01 33.95 3m4w s GLN 275 CO 0.57 -0.14 0.32 1.41 -2.12 0.00 0.00 175.29 175.34 3m4w s MET 276 N -2.02 0.47 0.10 2.91 1.75 -1.25 -0.63 119.30 120.63 3m4w s MET 276 Ca -0.10 -0.52 0.05 0.00 -1.25 0.00 0.00 55.69 53.88 3m4w s MET 276 Cb -0.04 -0.73 -0.04 0.00 2.84 0.00 0.00 34.83 36.86 3m4w s MET 276 CO -0.02 -1.11 0.01 -1.17 -0.65 0.00 0.00 175.02 172.08 3m4w s LEU 277 N 1.89 3.47 -0.12 4.11 2.96 -0.08 -4.99 118.68 125.91 3m4w s LEU 277 Ca 0.13 -0.20 -0.03 0.00 -0.22 0.00 0.00 54.13 53.81 3m4w s LEU 277 Cb -0.15 -2.18 0.04 0.00 0.50 0.00 0.00 46.19 44.40 3m4w s LEU 277 CO -0.19 0.16 0.05 -0.60 -1.32 0.00 0.00 176.35 174.45 3m4w s ARG 278 N -2.44 0.33 -0.87 1.98 3.52 -1.26 -1.56 118.95 118.64 3m4w s ARG 278 Ca 0.26 -0.01 -0.00 0.00 -0.13 0.00 0.00 55.73 55.86 3m4w s ARG 278 Cb -0.11 -1.36 0.26 0.00 -1.56 0.00 0.00 34.95 32.17 3m4w s ARG 278 CO 0.19 -0.48 0.98 2.41 -0.81 0.00 0.00 175.30 177.58 3m4w n THR 279 N 5.19 3.51 0.00 4.11 -1.04 0.20 -4.98 114.28 121.26 3m4w n THR 279 Ca -0.07 -5.39 0.00 0.00 -2.04 0.00 0.00 64.05 56.55 3m4w n THR 279 Cb 0.49 -2.21 0.00 0.00 -1.82 0.00 0.00 70.33 66.79 3m4w n THR 279 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3m4w n GLY 280 N 1.56 1.74 0.02 3.41 0.00 -1.26 -2.68 105.19 107.98 3m4w n GLY 280 Ca 0.26 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.30 3m4w n GLY 280 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3m4w n ARG 281 N 0.00 0.40 -3.26 1.61 1.85 -1.26 -4.90 116.66 111.10 3m4w n ARG 281 Ca 0.00 -0.08 -0.39 0.00 -1.00 0.00 0.00 57.85 56.39 3m4w n ARG 281 Cb 0.00 -1.56 -0.06 0.00 -1.05 0.00 0.00 32.46 29.79 3m4w n ARG 281 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3m4w s ARG 282 N -3.30 4.23 0.10 2.89 0.52 -1.09 -4.14 118.95 118.16 3m4w s ARG 282 Ca -0.00 0.44 0.03 0.00 -0.52 0.00 0.00 55.73 55.67 3m4w s ARG 282 Cb 0.14 -3.53 -0.04 0.00 0.52 0.00 0.00 34.95 32.04 3m4w s ARG 282 CO 0.86 -0.07 0.12 0.99 0.02 0.00 0.00 175.30 177.21 3m4w s THR 283 N 1.39 4.67 -0.19 0.02 2.01 0.12 -0.63 115.64 123.03 3m4w s THR 283 Ca 0.25 -0.78 -0.05 0.00 0.31 0.00 0.00 61.69 61.42 3m4w s THR 283 Cb -0.15 -3.29 0.07 0.00 0.01 0.00 0.00 72.50 69.13 3m4w s THR 283 CO 0.10 0.07 0.09 -0.69 -0.69 0.00 0.00 174.62 173.49 3m4w s VAL 284 N -1.50 -0.01 -0.25 3.82 1.01 -0.60 -1.56 120.40 121.30 3m4w s VAL 284 Ca 0.31 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.03 3m4w s VAL 284 Cb -0.12 -0.68 0.06 0.00 0.00 0.00 0.00 36.38 35.64 3m4w s VAL 284 CO 0.23 -0.33 -0.12 -0.55 0.00 0.00 0.00 175.10 174.34 3m4w s SER 285 N 2.10 4.32 -0.33 3.32 0.15 -0.26 -0.91 113.70 122.09 3m4w s SER 285 Ca 0.03 -1.32 -0.15 0.00 0.70 0.00 0.00 55.95 55.20 3m4w s SER 285 Cb -0.16 -1.54 -0.02 0.00 -1.71 0.00 0.00 66.02 62.59 3m4w s SER 285 CO -0.12 -0.17 0.35 -0.89 1.20 0.00 0.00 173.24 173.60 3m4w s THR 286 N 1.12 5.18 -0.15 6.45 2.01 0.20 -1.07 115.64 129.39 3m4w s THR 286 Ca -0.08 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.01 3m4w s THR 286 Cb -0.19 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.53 3m4w s THR 286 CO -0.06 -0.05 -0.17 -0.55 -0.69 0.00 0.00 174.62 173.11 3m4w s SER 287 N 1.73 3.53 -0.25 3.53 0.15 0.30 -0.27 113.70 122.42 3m4w s SER 287 Ca 0.11 -0.50 -0.08 0.00 0.70 0.00 0.00 55.95 56.19 3m4w s SER 287 Cb -0.16 -1.53 -0.03 0.00 -1.71 0.00 0.00 66.02 62.58 3m4w s SER 287 CO 0.11 0.09 0.09 -0.69 1.20 0.00 0.00 173.24 174.04 3m4w s VAL 288 N 0.77 4.44 -0.16 4.45 1.01 -1.26 0.04 120.40 129.70 3m4w s VAL 288 Ca -0.07 -0.13 -0.17 0.00 0.00 0.00 0.00 61.98 61.62 3m4w s VAL 288 Cb -0.15 -3.08 0.05 0.00 0.00 0.00 0.00 36.38 33.19 3m4w s VAL 288 CO 0.00 0.33 0.47 0.00 0.00 0.00 0.00 175.10 175.90 3m4w s ARG 289 N 1.63 0.58 -1.49 2.72 1.70 -0.73 -4.95 118.95 118.42 3m4w s ARG 289 Ca 0.06 0.57 -0.08 0.00 -0.47 0.00 0.00 55.73 55.81 3m4w s ARG 289 Cb -0.15 0.28 0.06 0.00 -0.57 0.00 0.00 34.95 34.57 3m4w s ARG 289 CO 0.05 -0.09 0.75 -0.25 -1.08 0.00 0.00 175.30 174.68 3m4w n ASP 290 N 2.61 -2.63 -0.19 -2.89 8.00 -1.26 -0.91 116.55 119.28 3m4w n ASP 290 Ca -0.14 -0.89 -0.03 0.00 0.71 0.00 0.00 54.79 54.44 3m4w n ASP 290 Cb 0.57 -3.49 -0.01 0.00 -0.02 0.00 0.00 41.12 38.16 3m4w n ASP 290 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3m4w n ASN 291 N -2.88 -4.89 -4.46 -2.24 4.05 -1.26 -4.99 115.26 98.59 3m4w n ASN 291 Ca -0.11 0.06 -0.33 0.00 0.45 0.00 0.00 54.58 54.65 3m4w n ASN 291 Cb 0.59 -2.61 -0.13 0.00 1.23 0.00 0.00 39.78 38.86 3m4w n ASN 291 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3m4w s ALA 292 N -1.57 2.68 -0.54 5.20 0.00 -0.09 0.38 121.76 127.82 3m4w s ALA 292 Ca 0.00 -0.95 -0.17 0.00 0.00 0.00 0.00 51.96 50.84 3m4w s ALA 292 Cb 0.00 -1.05 0.10 0.00 0.00 0.00 0.00 23.12 22.18 3m4w s ALA 292 CO 0.00 0.48 0.55 -2.00 0.00 0.00 0.00 175.76 174.80 3m4w s GLU 293 N -0.47 3.02 -0.01 0.00 2.12 0.14 -1.77 118.70 121.73 3m4w s GLU 293 Ca 0.06 -1.43 -0.18 0.00 0.36 0.00 0.00 54.97 53.77 3m4w s GLU 293 Cb -0.12 -4.24 -0.05 0.00 0.26 0.00 0.00 34.13 29.98 3m4w s GLU 293 CO 0.02 -1.32 0.52 0.42 -0.54 0.00 0.00 175.26 174.35 3m4w s ILE 294 N 2.05 4.96 -0.03 -3.70 1.01 0.11 -2.64 121.20 122.96 3m4w s ILE 294 Ca 0.07 1.07 -0.01 0.00 0.00 0.00 0.00 60.65 61.79 3m4w s ILE 294 Cb -0.26 -3.84 0.03 0.00 0.01 0.00 0.00 42.46 38.40 3m4w s ILE 294 CO 0.06 0.47 0.04 -0.89 0.00 0.00 0.00 174.94 174.61 3m4w s THR 295 N -0.44 -0.05 -0.15 2.92 2.01 0.50 0.11 115.64 120.54 3m4w s THR 295 Ca 0.28 0.28 -0.05 0.00 0.31 0.00 0.00 61.69 62.51 3m4w s THR 295 Cb -0.17 -0.12 -0.03 0.00 0.01 0.00 0.00 72.50 72.18 3m4w s THR 295 CO 0.15 0.13 0.01 -0.63 -0.69 0.00 0.00 174.62 173.59 3m4w s ILE 296 N 1.46 4.34 -0.07 1.82 -1.09 -0.23 -0.08 121.20 127.35 3m4w s ILE 296 Ca -0.04 -0.21 -0.00 0.00 -2.23 0.00 0.00 60.65 58.17 3m4w s ILE 296 Cb -0.13 -2.90 0.02 0.00 -1.58 0.00 0.00 42.46 37.87 3m4w s ILE 296 CO -0.03 0.51 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.47 3m4w s VAL 297 N 0.05 0.54 -5.00 2.92 1.01 -0.56 -1.10 120.40 118.25 3m4w s VAL 297 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.97 3m4w s VAL 297 Cb -0.13 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.62 3m4w s VAL 297 CO 0.02 0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.99 3m4w n GLY 298 N 4.70 -0.75 2.76 4.51 0.00 -0.60 -0.50 105.19 115.31 3m4w n GLY 298 Ca -0.15 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 3m4w n GLY 298 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3m4w n GLU 299 N 0.00 3.44 -3.94 1.61 1.02 -0.79 0.13 120.64 122.11 3m4w n GLU 299 Ca 0.00 -3.15 -0.10 0.00 -0.02 0.00 0.00 57.16 53.89 3m4w n GLU 299 Cb 0.00 -3.02 -0.11 0.00 -0.02 0.00 0.00 31.44 28.29 3m4w n GLU 299 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3m4w s LEU 300 N 0.50 2.06 0.50 -4.62 1.43 -1.26 -4.72 118.68 112.57 3m4w s LEU 300 Ca 0.44 -0.35 -0.23 0.00 -1.03 0.00 0.00 54.13 52.96 3m4w s LEU 300 Cb 0.12 0.20 -0.07 0.00 0.03 0.00 0.00 46.19 46.47 3m4w s LEU 300 CO -0.04 -0.26 1.27 -2.65 0.23 0.00 0.00 176.35 174.90 3m4w n PRO 301 N 1.83 1.69 -0.26 1.29 -0.02 -1.26 -4.58 135.00 133.69 3m4w n PRO 301 Ca -0.22 0.61 0.04 0.00 -2.02 0.00 0.00 63.50 61.92 3m4w n PRO 301 Cb 0.56 -2.44 0.17 0.00 -0.02 0.00 0.00 33.50 31.78 3m4w n PRO 301 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3m4w h PRO 302 N 1.58 0.53 -1.00 0.52 0.11 -1.97 -2.03 132.00 129.74 3m4w h PRO 302 Ca -0.49 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.64 3m4w h PRO 302 Cb 1.31 -0.12 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 3m4w h PRO 302 CO 0.57 0.35 0.65 0.37 -0.21 0.00 0.00 178.00 179.73 3m4w h GLN 303 N 0.54 1.17 -0.51 1.05 4.15 -1.98 -1.43 115.11 118.11 3m4w h GLN 303 Ca 0.40 -0.07 -0.12 0.00 0.77 0.00 0.00 58.65 59.62 3m4w h GLN 303 Cb 0.53 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 3m4w h GLN 303 CO -0.34 0.77 -0.16 1.15 -1.93 0.00 0.00 178.83 178.32 3m4w h THR 304 N 1.21 1.27 -0.74 2.39 2.02 -1.69 -1.40 112.91 115.97 3m4w h THR 304 Ca 0.42 -1.32 -0.05 0.00 0.77 0.00 0.00 66.41 66.23 3m4w h THR 304 Cb 0.11 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 3m4w h THR 304 CO -0.15 0.46 0.27 0.00 0.37 0.00 0.00 175.52 176.47 3m4w h ALA 305 N 0.92 1.08 -0.11 6.16 0.00 -0.90 -1.80 119.26 124.61 3m4w h ALA 305 Ca 0.12 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 3m4w h ALA 305 Cb 0.74 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.24 3m4w h ALA 305 CO 0.06 0.64 -0.54 -0.22 0.00 0.00 0.00 179.25 179.19 3m4w h LYS 306 N 1.08 0.56 -0.61 0.00 3.64 -1.12 -1.96 116.57 118.16 3m4w h LYS 306 Ca 0.24 -0.46 0.05 0.00 -1.27 0.00 0.00 60.65 59.22 3m4w h LYS 306 Cb 0.24 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 3m4w h LYS 306 CO -0.02 1.08 0.40 -0.09 -2.27 0.00 0.00 179.45 178.56 3m4w h ARG 307 N 0.19 0.62 -0.31 1.90 2.43 -1.14 -0.26 114.38 117.80 3m4w h ARG 307 Ca -0.04 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 58.93 3m4w h ARG 307 Cb 1.18 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.59 3m4w h ARG 307 CO 0.11 0.41 -0.45 0.82 -1.51 0.00 0.00 179.97 179.35 3m4w h ILE 308 N 0.64 1.28 -0.35 1.20 2.04 -1.22 -3.16 117.51 117.93 3m4w h ILE 308 Ca 0.26 -1.64 -0.08 0.00 1.00 0.00 0.00 64.86 64.40 3m4w h ILE 308 Cb 0.20 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 3m4w h ILE 308 CO -0.07 0.53 -0.13 0.00 0.00 0.00 0.00 178.15 178.48 3m4w h ALA 309 N 0.83 1.11 -0.25 1.87 0.00 -0.30 -2.80 119.26 119.72 3m4w h ALA 309 Ca 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3m4w h ALA 309 Cb 1.03 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3m4w h ALA 309 CO 0.10 0.55 0.00 -0.85 0.00 0.00 0.00 179.25 179.05 3m4w n GLU 310 N -4.17 1.61 -0.02 0.00 0.28 -0.38 -3.47 120.64 114.48 3m4w n GLU 310 Ca 0.01 -0.92 0.03 0.00 -0.16 0.00 0.00 57.16 56.12 3m4w n GLU 310 Cb 0.35 -1.21 0.04 0.00 1.43 0.00 0.00 31.44 32.05 3m4w n GLU 310 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3m4w n ASN 311 N 0.24 2.12 -4.71 -1.84 4.13 -1.06 -4.98 115.26 109.17 3m4w n ASN 311 Ca 0.09 -2.32 -0.41 0.00 1.68 0.00 0.00 54.58 53.62 3m4w n ASN 311 Cb 0.22 -0.13 -0.04 0.00 -1.54 0.00 0.00 39.78 38.30 3m4w n ASN 311 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3m4w s ILE 312 N -1.55 4.93 -0.26 2.41 1.01 -1.23 -0.55 121.20 125.96 3m4w s ILE 312 Ca 0.10 1.80 -0.09 0.00 0.00 0.00 0.00 60.65 62.46 3m4w s ILE 312 Cb 0.08 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 3m4w s ILE 312 CO 0.01 0.17 0.13 -0.54 0.00 0.00 0.00 174.94 174.71 3m4w s LYS 313 N 1.12 3.85 0.09 2.79 -0.14 0.03 -4.88 119.74 122.60 3m4w s LYS 313 Ca 0.45 -0.38 -0.16 0.00 -1.36 0.00 0.00 55.97 54.52 3m4w s LYS 313 Cb -0.19 -3.48 -0.07 0.00 -1.68 0.00 0.00 37.83 32.41 3m4w s LYS 313 CO 0.22 -0.12 0.53 -0.06 -0.76 0.00 0.00 175.35 175.16 3m4w s PHE 314 N 1.52 3.71 0.00 3.18 0.40 -1.26 -1.33 117.98 124.21 3m4w s PHE 314 Ca 0.06 1.13 0.00 0.00 -0.60 0.00 0.00 56.93 57.53 3m4w s PHE 314 Cb -0.15 -2.40 0.00 0.00 0.51 0.00 0.00 43.02 40.97 3m4w s PHE 314 CO 0.07 0.53 0.00 0.41 0.70 0.00 0.00 175.22 176.93