#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpw s ARG 2 N 0.00 3.72 -0.02 0.03 0.52 -1.26 -4.70 118.95 117.23 1xpw s ARG 2 Ca 0.00 0.11 -0.02 0.00 -0.52 0.00 0.00 55.73 55.30 1xpw s ARG 2 Cb 0.00 -2.89 0.01 0.00 0.52 0.00 0.00 34.95 32.59 1xpw s ARG 2 CO 0.00 0.49 0.04 1.17 0.02 0.00 0.00 175.30 177.02 1xpw n LYS 3 N 0.46 -2.64 -3.74 3.54 3.00 -1.02 -5.04 118.16 112.72 1xpw n LYS 3 Ca -0.05 2.17 -0.13 0.00 -0.00 0.00 0.00 58.31 60.30 1xpw n LYS 3 Cb 0.52 -2.86 -0.09 0.00 0.00 0.00 0.00 35.03 32.59 1xpw n LYS 3 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1xpw s ILE 4 N -0.33 0.03 -0.95 3.15 2.07 -1.17 -4.92 121.20 119.08 1xpw s ILE 4 Ca -0.05 -0.22 -0.24 0.00 -1.41 0.00 0.00 60.65 58.73 1xpw s ILE 4 Cb 0.00 -0.58 0.03 0.00 0.13 0.00 0.00 42.46 42.04 1xpw s ILE 4 CO 0.14 -0.12 1.54 -1.81 -1.91 0.00 0.00 174.94 172.77 1xpw s ASP 5 N -0.57 6.17 0.32 4.50 1.11 -1.26 -3.85 116.67 123.09 1xpw s ASP 5 Ca -0.07 -1.14 0.26 0.00 0.18 0.00 0.00 52.55 51.78 1xpw s ASP 5 Cb -0.04 -2.57 0.94 0.00 1.07 0.00 0.00 42.92 42.33 1xpw s ASP 5 CO 0.03 -1.81 1.77 -0.07 1.18 0.00 0.00 175.17 176.27 1xpw h LEU 6 N 13.91 0.00 -0.39 1.23 3.38 -1.43 -2.95 115.31 129.05 1xpw h LEU 6 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1xpw h LEU 6 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1xpw h LEU 6 CO 1.37 0.00 -0.12 0.00 0.09 0.00 0.00 178.44 179.78 1xpw s LEU 8 N -2.37 4.04 0.58 0.00 1.43 -1.12 -4.73 118.68 116.51 1xpw s LEU 8 Ca 0.31 2.37 0.36 0.00 -1.03 0.00 0.00 54.13 56.14 1xpw s LEU 8 Cb 0.20 -4.18 1.64 0.00 0.03 0.00 0.00 46.19 43.88 1xpw s LEU 8 CO 0.45 -0.93 2.09 -1.28 0.23 0.00 0.00 176.35 176.92 1xpw h SER 9 N 2.14 0.00 0.72 2.29 0.87 -1.82 -0.35 113.55 117.41 1xpw h SER 9 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 1xpw h SER 9 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1xpw h SER 9 CO 0.60 0.01 0.00 0.28 -0.53 0.00 0.00 176.83 177.20 1xpw h SER 10 N 0.00 0.00 -0.02 6.23 0.02 -1.87 -0.79 113.55 117.12 1xpw h SER 10 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xpw h SER 10 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1xpw h SER 10 CO 0.00 0.00 -0.01 -0.62 -1.14 0.00 0.00 176.83 175.06 1xpw n GLU 11 N -3.09 2.05 -0.61 3.45 -0.58 -0.17 -4.93 120.64 116.76 1xpw n GLU 11 Ca -0.00 -1.54 0.00 0.00 -0.42 0.00 0.00 57.16 55.19 1xpw n GLU 11 Cb 0.24 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 1xpw n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xpw n GLY 12 N 1.29 0.67 3.82 0.62 0.00 -0.30 -5.00 105.19 106.28 1xpw n GLY 12 Ca 0.16 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 1xpw n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xpw s SER 13 N -2.20 6.69 0.23 1.61 0.01 -1.05 -4.57 113.70 114.42 1xpw s SER 13 Ca 0.00 0.83 0.02 0.00 1.31 0.00 0.00 55.95 58.11 1xpw s SER 13 Cb 0.00 -2.22 -0.05 0.00 0.21 0.00 0.00 66.02 63.96 1xpw s SER 13 CO 0.00 0.29 0.04 -1.61 0.41 0.00 0.00 173.24 172.37 1xpw s GLU 14 N -0.75 1.30 0.17 12.44 2.02 -0.34 -3.68 118.70 129.86 1xpw s GLU 14 Ca 0.22 -1.67 0.04 0.00 0.02 0.00 0.00 54.97 53.58 1xpw s GLU 14 Cb -0.15 -0.36 -0.04 0.00 0.10 0.00 0.00 34.13 33.68 1xpw s GLU 14 CO 0.11 -0.19 0.23 0.14 0.02 0.00 0.00 175.26 175.56 1xpw s VAL 15 N -3.63 4.94 0.04 2.63 -7.23 -1.26 -0.37 120.40 115.52 1xpw s VAL 15 Ca 0.31 -0.91 -0.06 0.00 -1.81 0.00 0.00 61.98 59.51 1xpw s VAL 15 Cb 0.07 -3.56 -0.01 0.00 0.56 0.00 0.00 36.38 33.44 1xpw s VAL 15 CO 0.09 -0.14 0.11 -0.51 -0.31 0.00 0.00 175.10 174.35 1xpw s ILE 16 N -1.79 0.14 0.00 -0.62 2.07 0.48 -4.90 121.20 116.57 1xpw s ILE 16 Ca 0.33 -1.13 0.00 0.00 -1.41 0.00 0.00 60.65 58.44 1xpw s ILE 16 Cb -0.10 -0.99 0.00 0.00 0.13 0.00 0.00 42.46 41.50 1xpw s ILE 16 CO 0.26 -0.62 0.00 0.18 -1.91 0.00 0.00 174.94 172.85 1xpw n LEU 17 N 0.62 0.00 -1.99 8.50 4.32 -1.26 -2.19 117.00 125.00 1xpw n LEU 17 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.81 1xpw n LEU 17 Cb 0.59 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.39 1xpw n LEU 17 CO 0.23 0.00 -0.43 0.00 -1.22 0.00 0.00 177.39 175.97 1xpw n ALA 18 N 5.08 -2.15 1.10 -1.18 0.00 -1.26 -4.78 120.51 117.32 1xpw n ALA 18 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1xpw n ALA 18 Cb 0.00 -1.33 0.01 0.00 0.00 0.00 0.00 19.45 18.13 1xpw n ALA 18 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xpw n THR 19 N 1.66 0.04 -3.64 0.00 -2.24 -0.63 -4.71 114.28 104.76 1xpw n THR 19 Ca 0.00 -0.02 -0.07 0.00 -2.27 0.00 0.00 64.05 61.69 1xpw n THR 19 Cb 0.00 -0.43 -0.07 0.00 -2.10 0.00 0.00 70.33 67.73 1xpw n THR 19 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xpw s SER 20 N -0.14 -0.68 -0.24 3.42 0.15 -1.26 -4.52 113.70 110.42 1xpw s SER 20 Ca 0.01 1.16 -0.04 0.00 0.70 0.00 0.00 55.95 57.78 1xpw s SER 20 Cb 0.01 1.24 0.13 0.00 -1.71 0.00 0.00 66.02 65.69 1xpw s SER 20 CO 0.00 -0.19 0.43 -0.44 1.20 0.00 0.00 173.24 174.25 1xpw s SER 21 N 1.05 -0.19 0.18 5.45 0.01 -1.26 -4.74 113.70 114.20 1xpw s SER 21 Ca -0.05 0.61 -0.09 0.00 1.31 0.00 0.00 55.95 57.72 1xpw s SER 21 Cb -0.05 1.38 -0.07 0.00 0.21 0.00 0.00 66.02 67.50 1xpw s SER 21 CO -0.12 -0.27 0.49 -0.62 0.41 0.00 0.00 173.24 173.13 1xpw s ASP 22 N 2.62 6.62 0.42 2.44 2.15 -1.04 -4.98 116.67 124.91 1xpw s ASP 22 Ca 0.09 0.85 0.15 0.00 0.43 0.00 0.00 52.55 54.07 1xpw s ASP 22 Cb -0.14 -2.20 0.92 0.00 -0.30 0.00 0.00 42.92 41.20 1xpw s ASP 22 CO -0.16 0.01 1.92 -0.33 -0.17 0.00 0.00 175.17 176.44 1xpw h GLU 23 N 2.87 0.00 0.00 4.34 4.39 -2.01 -2.90 114.58 121.28 1xpw h GLU 23 Ca -0.47 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 58.95 1xpw h GLU 23 Cb 1.17 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.77 1xpw h GLU 23 CO 0.69 0.26 -2.03 1.63 -1.16 0.00 0.00 179.01 178.40 1xpw n LYS 24 N -4.15 1.52 -3.77 2.33 5.02 -1.26 -4.72 118.16 113.13 1xpw n LYS 24 Ca -0.02 -0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.94 1xpw n LYS 24 Cb 0.32 -1.38 -0.09 0.00 -0.02 0.00 0.00 35.03 33.85 1xpw n LYS 24 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1xpw s HIS 25 N -2.36 3.71 0.50 2.13 3.76 -1.19 -5.09 115.29 116.75 1xpw s HIS 25 Ca -0.08 -3.16 0.01 0.00 -0.15 0.00 0.00 55.06 51.67 1xpw s HIS 25 Cb 0.05 -2.99 0.01 0.00 1.11 0.00 0.00 32.58 30.76 1xpw s HIS 25 CO 0.61 -0.66 0.72 -1.25 -0.85 0.00 0.00 174.74 173.31 1xpw s PRO 26 N -1.30 2.83 0.00 8.40 0.04 -1.10 -2.49 135.00 141.38 1xpw s PRO 26 Ca 0.25 -0.61 0.01 0.00 0.04 0.00 0.00 61.00 60.69 1xpw s PRO 26 Cb -0.07 -2.52 0.02 0.00 0.04 0.00 0.00 34.50 31.97 1xpw s PRO 26 CO -0.13 -0.47 1.01 -2.30 0.04 0.00 0.00 177.00 175.14 1xpw n PRO 27 N -2.20 0.00 -0.28 0.56 -0.02 -1.26 -1.94 135.00 129.86 1xpw n PRO 27 Ca 0.04 0.48 0.14 0.00 -2.02 0.00 0.00 63.50 62.15 1xpw n PRO 27 Cb 0.59 -1.50 0.41 0.00 -0.02 0.00 0.00 33.50 32.98 1xpw n PRO 27 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1xpw h GLU 28 N 0.00 0.60 -0.00 -0.52 4.81 -1.98 -0.88 114.58 116.61 1xpw h GLU 28 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1xpw h GLU 28 Cb 0.01 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.25 1xpw h GLU 28 CO 0.00 0.39 0.00 0.09 -0.73 0.00 0.00 179.01 178.76 1xpw n ASN 29 N -4.58 0.01 0.10 1.04 5.03 -0.82 -2.35 115.26 113.69 1xpw n ASN 29 Ca 0.19 -1.20 -0.14 0.00 0.87 0.00 0.00 54.58 54.29 1xpw n ASN 29 Cb 0.56 -0.00 -0.12 0.00 -1.02 0.00 0.00 39.78 39.20 1xpw n ASN 29 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1xpw h ILE 30 N 0.01 1.52 0.00 2.41 2.04 -1.37 -3.42 117.51 118.70 1xpw h ILE 30 Ca 0.00 -3.04 0.00 0.00 1.00 0.00 0.00 64.86 62.82 1xpw h ILE 30 Cb 0.00 2.87 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 1xpw h ILE 30 CO 0.00 0.89 0.00 2.30 0.00 0.00 0.00 178.15 181.34 1xpw n ILE 31 N -3.54 0.00 0.00 -0.67 -5.35 -0.99 -3.89 119.36 104.92 1xpw n ILE 31 Ca -0.07 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 1xpw n ILE 31 Cb 0.99 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.89 1xpw n ILE 31 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1xpw n ASP 32 N 0.00 0.00 0.00 7.28 2.03 -1.08 -3.48 116.55 121.30 1xpw n ASP 32 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1xpw n ASP 32 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1xpw n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xpw n GLY 33 N 0.00 1.34 2.93 0.27 0.00 -1.26 -4.64 105.19 103.82 1xpw n GLY 33 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1xpw n GLY 33 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xpw s ASN 34 N -2.00 3.40 -0.03 1.61 0.01 -1.23 -4.99 114.94 111.70 1xpw s ASN 34 Ca 0.00 -0.94 0.02 0.00 -0.71 0.00 0.00 52.86 51.23 1xpw s ASN 34 Cb 0.00 -1.08 0.11 0.00 0.41 0.00 0.00 41.25 40.69 1xpw s ASN 34 CO 0.00 -0.20 0.68 -0.81 -1.51 0.00 0.00 177.10 175.26 1xpw n PRO 35 N 4.76 1.53 -0.04 -0.60 -0.05 -1.26 -4.22 135.00 135.12 1xpw n PRO 35 Ca -0.12 -0.43 -0.00 0.00 -0.05 0.00 0.00 63.50 62.89 1xpw n PRO 35 Cb 0.46 -1.59 -0.00 0.00 -0.05 0.00 0.00 33.50 32.32 1xpw n PRO 35 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 175.50 176.94 1xpw h GLU 36 N 0.55 -0.01 0.00 0.54 4.22 -1.94 -3.48 114.58 114.45 1xpw h GLU 36 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1xpw h GLU 36 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1xpw h GLU 36 CO 0.07 -0.01 0.00 2.41 -2.18 0.00 0.00 179.01 179.30 1xpw n THR 37 N -4.66 0.00 -3.64 0.32 -1.04 -1.26 -5.11 114.28 98.89 1xpw n THR 37 Ca -0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.89 1xpw n THR 37 Cb 0.01 -1.43 -0.05 0.00 -1.82 0.00 0.00 70.33 67.04 1xpw n THR 37 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 1xpw s PHE 38 N 0.21 -0.23 -0.09 -1.42 -0.12 -1.26 -4.71 117.98 110.36 1xpw s PHE 38 Ca 0.00 0.03 0.00 0.00 -0.05 0.00 0.00 56.93 56.91 1xpw s PHE 38 Cb 0.00 0.24 -0.03 0.00 -0.63 0.00 0.00 43.02 42.61 1xpw s PHE 38 CO 0.00 -0.65 -0.07 -0.46 -0.05 0.00 0.00 175.22 173.99 1xpw s TRP 39 N -3.26 2.94 0.10 3.49 -0.00 0.10 -4.88 118.94 117.42 1xpw s TRP 39 Ca -0.00 -0.08 0.09 0.00 -0.00 0.00 0.00 56.10 56.11 1xpw s TRP 39 Cb 0.01 -1.76 -0.03 0.00 -0.00 0.00 0.00 33.47 31.68 1xpw s TRP 39 CO -0.08 0.23 -0.24 -0.08 -0.00 0.00 0.00 176.95 176.77 1xpw s THR 40 N -0.52 2.01 0.38 5.86 -1.32 -1.26 -0.49 115.64 120.30 1xpw s THR 40 Ca 0.08 -1.57 -0.02 0.00 -1.21 0.00 0.00 61.69 58.97 1xpw s THR 40 Cb -0.12 -1.78 -0.04 0.00 -1.51 0.00 0.00 72.50 69.06 1xpw s THR 40 CO 0.02 0.11 0.62 -0.89 -2.21 0.00 0.00 174.62 172.27 1xpw s THR 41 N -1.01 5.04 -2.00 5.08 2.01 0.61 -4.73 115.64 120.63 1xpw s THR 41 Ca 0.11 -0.21 0.22 0.00 0.31 0.00 0.00 61.69 62.11 1xpw s THR 41 Cb -0.10 -3.85 0.63 0.00 0.01 0.00 0.00 72.50 69.19 1xpw s THR 41 CO 0.04 -0.63 1.75 0.35 -0.69 0.00 0.00 174.62 175.44 1xpw n THR 42 N -1.87 0.00 -0.66 -0.82 -2.24 -1.26 -4.46 114.28 102.97 1xpw n THR 42 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1xpw n THR 42 Cb 0.56 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 1xpw n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xpw n GLY 43 N 0.62 0.65 3.42 3.38 0.00 -1.26 -5.01 105.19 106.99 1xpw n GLY 43 Ca 0.17 -0.19 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 1xpw n GLY 43 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xpw s MET 44 N -0.60 3.10 0.28 1.61 -1.94 -1.26 -4.89 119.30 115.60 1xpw s MET 44 Ca 0.00 -1.02 -0.29 0.00 -1.71 0.00 0.00 55.69 52.67 1xpw s MET 44 Cb 0.00 -4.21 -0.09 0.00 2.01 0.00 0.00 34.83 32.54 1xpw s MET 44 CO 0.00 -1.54 0.98 -0.06 -0.01 0.00 0.00 175.02 174.38 1xpw s PHE 45 N 3.13 3.79 0.47 -0.03 0.40 -1.26 -3.45 117.98 121.03 1xpw s PHE 45 Ca 0.16 1.83 -0.20 0.00 -0.60 0.00 0.00 56.93 58.13 1xpw s PHE 45 Cb -0.20 -3.03 -0.09 0.00 0.51 0.00 0.00 43.02 40.20 1xpw s PHE 45 CO 0.09 0.15 0.98 -2.14 0.70 0.00 0.00 175.22 175.00 1xpw s PRO 46 N -1.53 4.03 -0.30 0.24 0.02 -1.26 -5.14 135.00 131.06 1xpw s PRO 46 Ca 0.45 1.14 -0.08 0.00 0.02 0.00 0.00 61.00 62.53 1xpw s PRO 46 Cb -0.25 -2.14 0.00 0.00 0.02 0.00 0.00 34.50 32.13 1xpw s PRO 46 CO 0.31 -0.21 0.10 -0.65 -0.33 0.00 0.00 177.00 176.23 1xpw s GLN 47 N -3.42 3.22 0.06 5.54 -0.21 -0.33 -4.95 119.66 119.56 1xpw s GLN 47 Ca 0.63 -0.78 0.02 0.00 0.02 0.00 0.00 55.36 55.25 1xpw s GLN 47 Cb -0.11 -3.42 -0.03 0.00 1.00 0.00 0.00 33.01 30.45 1xpw s GLN 47 CO 0.19 -0.41 -0.08 -1.83 -2.12 0.00 0.00 175.29 171.05 1xpw s GLU 48 N 1.55 0.61 0.05 2.91 -1.05 -1.26 -0.40 118.70 121.11 1xpw s GLU 48 Ca 0.04 -0.92 -0.23 0.00 -0.15 0.00 0.00 54.97 53.71 1xpw s GLU 48 Cb -0.17 -0.27 0.06 0.00 -0.44 0.00 0.00 34.13 33.30 1xpw s GLU 48 CO 0.04 0.03 0.54 -0.59 0.95 0.00 0.00 175.26 176.23 1xpw s PHE 49 N -1.98 -0.46 0.01 4.83 -0.71 -0.94 -1.60 117.98 117.12 1xpw s PHE 49 Ca -0.04 0.51 0.08 0.00 -1.04 0.00 0.00 56.93 56.44 1xpw s PHE 49 Cb -0.06 0.37 -0.02 0.00 -1.21 0.00 0.00 43.02 42.10 1xpw s PHE 49 CO -0.01 -0.67 -0.26 0.42 -1.34 0.00 0.00 175.22 173.37 1xpw s ILE 50 N -2.50 2.04 -0.16 -4.49 1.01 -0.93 -1.18 121.20 114.98 1xpw s ILE 50 Ca -0.05 -1.20 -0.01 0.00 0.00 0.00 0.00 60.65 59.39 1xpw s ILE 50 Cb -0.01 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.74 1xpw s ILE 50 CO -0.02 0.48 -0.11 -0.63 0.00 0.00 0.00 174.94 174.67 1xpw s ILE 51 N -0.68 3.13 -0.22 2.92 1.01 0.37 -0.39 121.20 127.34 1xpw s ILE 51 Ca 0.10 -0.61 -0.06 0.00 0.00 0.00 0.00 60.65 60.08 1xpw s ILE 51 Cb -0.10 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 40.00 1xpw s ILE 51 CO 0.00 0.50 0.03 0.00 0.00 0.00 0.00 174.94 175.47 1xpw h PHE 53 N 7.79 0.00 0.00 0.00 0.04 -1.11 -0.89 116.94 122.78 1xpw h PHE 53 Ca -0.37 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.40 1xpw h PHE 53 Cb 1.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.32 1xpw h PHE 53 CO 0.62 0.00 0.00 0.72 -0.60 0.00 0.00 178.31 179.05 1xpw n HIS 54 N -2.80 0.00 -3.48 -0.55 8.25 -1.26 -4.37 115.22 111.02 1xpw n HIS 54 Ca 0.04 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.37 1xpw n HIS 54 Cb 0.50 -1.27 -0.03 0.00 1.12 0.00 0.00 29.99 30.31 1xpw n HIS 54 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1xpw s LYS 55 N -1.24 1.18 -0.56 -0.41 -2.85 -1.26 -4.95 119.74 109.66 1xpw s LYS 55 Ca 0.00 -0.33 -0.25 0.00 -1.00 0.00 0.00 55.97 54.40 1xpw s LYS 55 Cb 0.00 0.55 0.04 0.00 -2.06 0.00 0.00 37.83 36.36 1xpw s LYS 55 CO 0.00 -0.48 0.98 -1.58 0.10 0.00 0.00 175.35 174.37 1xpw s HIS 56 N -3.10 2.76 0.30 1.78 5.65 -1.26 -4.42 115.29 117.01 1xpw s HIS 56 Ca -0.02 0.03 0.09 0.00 0.25 0.00 0.00 55.06 55.41 1xpw s HIS 56 Cb -0.01 -4.14 -0.04 0.00 -1.18 0.00 0.00 32.58 27.21 1xpw s HIS 56 CO -0.07 -1.39 0.06 0.14 -0.65 0.00 0.00 174.74 172.83 1xpw s VAL 57 N 4.09 3.21 -0.34 0.89 -7.23 -1.24 -1.98 120.40 117.81 1xpw s VAL 57 Ca 0.32 -1.81 -0.09 0.00 -1.81 0.00 0.00 61.98 58.58 1xpw s VAL 57 Cb -0.12 -2.91 0.01 0.00 0.56 0.00 0.00 36.38 33.92 1xpw s VAL 57 CO 0.20 -0.27 0.16 -0.60 -0.31 0.00 0.00 175.10 174.27 1xpw s ARG 58 N -3.76 3.02 -0.18 4.82 3.52 -0.28 -3.45 118.95 122.65 1xpw s ARG 58 Ca 0.34 -0.93 -0.16 0.00 -0.13 0.00 0.00 55.73 54.85 1xpw s ARG 58 Cb -0.04 -3.59 -0.04 0.00 -1.56 0.00 0.00 34.95 29.72 1xpw s ARG 58 CO 0.21 -0.56 0.41 0.42 -0.81 0.00 0.00 175.30 174.98 1xpw s ILE 59 N 1.55 5.20 -0.11 4.11 1.01 0.00 -2.15 121.20 130.82 1xpw s ILE 59 Ca 0.03 0.77 0.11 0.00 0.00 0.00 0.00 60.65 61.55 1xpw s ILE 59 Cb -0.18 -3.75 -0.16 0.00 0.01 0.00 0.00 42.46 38.38 1xpw s ILE 59 CO 0.05 0.28 0.07 -0.62 0.00 0.00 0.00 174.94 174.72 1xpw n GLU 60 N 4.22 1.81 -3.75 2.79 1.02 0.11 -1.78 120.64 125.06 1xpw n GLU 60 Ca -0.08 -0.02 -0.13 0.00 -0.02 0.00 0.00 57.16 56.91 1xpw n GLU 60 Cb 0.51 -1.32 -0.08 0.00 -0.02 0.00 0.00 31.44 30.53 1xpw n GLU 60 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1xpw s ARG 61 N -2.37 0.70 -0.28 3.49 0.52 -0.82 -0.62 118.95 119.58 1xpw s ARG 61 Ca -0.06 -0.24 0.03 0.00 -0.52 0.00 0.00 55.73 54.94 1xpw s ARG 61 Cb 0.04 0.31 0.07 0.00 0.52 0.00 0.00 34.95 35.89 1xpw s ARG 61 CO 0.51 -0.20 -0.07 -0.51 0.02 0.00 0.00 175.30 175.05 1xpw s LEU 62 N -1.46 3.71 -0.61 2.53 1.02 0.48 -0.35 118.68 124.00 1xpw s LEU 62 Ca -0.12 -1.57 -0.21 0.00 0.02 0.00 0.00 54.13 52.25 1xpw s LEU 62 Cb -0.04 -1.55 0.08 0.00 0.02 0.00 0.00 46.19 44.70 1xpw s LEU 62 CO 0.03 -0.24 0.84 -0.69 0.02 0.00 0.00 176.35 176.32 1xpw s VAL 63 N 1.07 4.55 -0.12 -1.59 1.01 0.44 -0.37 120.40 125.38 1xpw s VAL 63 Ca -0.04 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 1xpw s VAL 63 Cb -0.20 -4.57 -0.02 0.00 0.00 0.00 0.00 36.38 31.59 1xpw s VAL 63 CO -0.06 -1.26 -0.09 -0.63 0.00 0.00 0.00 175.10 173.06 1xpw s ILE 64 N 3.46 3.44 -0.38 2.22 1.01 -0.11 -0.80 121.20 130.04 1xpw s ILE 64 Ca 0.19 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 60.28 1xpw s ILE 64 Cb -0.19 -2.45 0.10 0.00 0.01 0.00 0.00 42.46 39.93 1xpw s ILE 64 CO 0.10 0.53 0.15 -1.10 0.00 0.00 0.00 174.94 174.62 1xpw s GLN 65 N 0.03 2.06 0.04 2.79 -0.21 0.42 -2.42 119.66 122.37 1xpw s GLN 65 Ca -0.02 -1.70 -0.06 0.00 0.02 0.00 0.00 55.36 53.60 1xpw s GLN 65 Cb -0.14 -3.46 -0.01 0.00 1.00 0.00 0.00 33.01 30.40 1xpw s GLN 65 CO 0.04 -0.96 0.11 -1.54 -2.12 0.00 0.00 175.29 170.82 1xpw s SER 66 N 1.61 0.16 0.15 5.90 1.04 -1.26 0.31 113.70 121.61 1xpw s SER 66 Ca 0.06 -0.52 0.09 0.00 0.48 0.00 0.00 55.95 56.06 1xpw s SER 66 Cb -0.22 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 66.10 1xpw s SER 66 CO -0.04 -0.53 -0.15 -0.31 0.98 0.00 0.00 173.24 173.19 1xpw s TYR 67 N -2.67 2.54 0.00 5.02 2.02 -0.14 -4.79 117.35 119.34 1xpw s TYR 67 Ca -0.04 -0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 1xpw s TYR 67 Cb -0.01 -1.29 0.00 0.00 -0.40 0.00 0.00 41.96 40.26 1xpw s TYR 67 CO -0.05 0.45 0.00 1.19 -1.57 0.00 0.00 175.55 175.58 1xpw n PHE 68 N 0.42 0.00 -1.65 2.71 3.72 -1.26 -3.47 117.46 117.93 1xpw n PHE 68 Ca -0.13 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.81 1xpw n PHE 68 Cb 0.54 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.06 1xpw n PHE 68 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1xpw n VAL 69 N 0.00 1.14 0.00 -4.37 0.31 -1.26 -1.15 118.33 113.00 1xpw n VAL 69 Ca 0.00 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1xpw n VAL 69 Cb 0.00 -1.31 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 1xpw n VAL 69 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1xpw n GLN 70 N 1.70 0.00 -2.96 5.55 7.27 -1.03 -4.36 117.38 123.55 1xpw n GLN 70 Ca 0.11 0.00 -0.44 0.00 0.07 0.00 0.00 57.00 56.75 1xpw n GLN 70 Cb 0.31 -0.02 -0.04 0.00 2.41 0.00 0.00 30.24 32.89 1xpw n GLN 70 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1xpw s THR 71 N -0.18 4.53 -0.34 1.69 -4.23 -0.35 0.52 115.64 117.29 1xpw s THR 71 Ca 0.00 -0.48 -0.07 0.00 -1.18 0.00 0.00 61.69 59.96 1xpw s THR 71 Cb 0.00 -4.57 0.04 0.00 1.34 0.00 0.00 72.50 69.31 1xpw s THR 71 CO 0.00 -1.25 0.12 -0.22 -0.54 0.00 0.00 174.62 172.73 1xpw s LEU 72 N 3.50 4.37 -0.33 4.79 2.96 0.32 -0.81 118.68 133.48 1xpw s LEU 72 Ca 0.19 -1.10 -0.16 0.00 -0.22 0.00 0.00 54.13 52.84 1xpw s LEU 72 Cb -0.19 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.59 1xpw s LEU 72 CO 0.10 -0.33 0.39 -0.75 -1.32 0.00 0.00 176.35 174.44 1xpw s LYS 73 N 1.43 3.63 -0.40 1.98 2.20 0.44 -0.44 119.74 128.58 1xpw s LYS 73 Ca -0.01 -0.31 -0.17 0.00 -0.36 0.00 0.00 55.97 55.12 1xpw s LYS 73 Cb -0.19 -3.79 0.01 0.00 -1.51 0.00 0.00 37.83 32.36 1xpw s LYS 73 CO 0.03 -0.51 0.42 0.42 -0.36 0.00 0.00 175.35 175.35 1xpw s ILE 74 N 2.09 5.11 0.15 5.43 1.01 0.45 -0.62 121.20 134.82 1xpw s ILE 74 Ca 0.13 -0.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.48 1xpw s ILE 74 Cb -0.16 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 1xpw s ILE 74 CO 0.12 -0.35 0.37 -0.70 0.00 0.00 0.00 174.94 174.38 1xpw s GLU 75 N 2.10 3.59 -0.01 2.79 2.56 0.43 -2.64 118.70 127.53 1xpw s GLU 75 Ca 0.12 -0.15 0.05 0.00 0.00 0.00 0.00 54.97 54.99 1xpw s GLU 75 Cb -0.17 -2.86 -0.01 0.00 2.00 0.00 0.00 34.13 33.09 1xpw s GLU 75 CO 0.13 0.46 -0.17 -1.59 -0.56 0.00 0.00 175.26 173.53 1xpw s LYS 76 N -2.76 1.35 -0.03 4.30 -2.85 0.00 -0.40 119.74 119.35 1xpw s LYS 76 Ca 0.40 -0.61 0.04 0.00 -1.00 0.00 0.00 55.97 54.81 1xpw s LYS 76 Cb -0.12 -1.31 -0.01 0.00 -2.06 0.00 0.00 37.83 34.33 1xpw s LYS 76 CO 0.26 0.36 -0.16 -1.12 0.10 0.00 0.00 175.35 174.79 1xpw s SER 77 N -0.42 1.97 -0.08 0.03 0.01 -0.10 -0.43 113.70 114.69 1xpw s SER 77 Ca 0.06 -0.31 0.12 0.00 1.31 0.00 0.00 55.95 57.13 1xpw s SER 77 Cb -0.06 -0.43 0.30 0.00 0.21 0.00 0.00 66.02 66.04 1xpw s SER 77 CO -0.01 0.16 1.23 0.35 0.41 0.00 0.00 173.24 175.38 1xpw n THR 78 N 3.00 1.59 -2.71 1.44 -2.24 -1.26 -0.77 114.28 113.32 1xpw n THR 78 Ca -0.17 -1.56 -0.23 0.00 -2.27 0.00 0.00 64.05 59.83 1xpw n THR 78 Cb 0.54 0.10 0.10 0.00 -2.10 0.00 0.00 70.33 68.97 1xpw n THR 78 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xpw s SER 79 N -1.72 4.48 0.40 3.42 0.15 -1.26 -4.78 113.70 114.39 1xpw s SER 79 Ca 0.26 -0.54 0.22 0.00 0.70 0.00 0.00 55.95 56.59 1xpw s SER 79 Cb 0.20 0.16 0.27 0.00 -1.71 0.00 0.00 66.02 64.93 1xpw s SER 79 CO 0.07 -1.78 1.54 0.50 1.20 0.00 0.00 173.24 174.78 1xpw h LYS 80 N -0.38 0.00 -6.19 5.44 3.64 -1.96 -3.44 116.57 113.68 1xpw h LYS 80 Ca -0.34 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.53 1xpw h LYS 80 Cb 1.27 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.03 1xpw h LYS 80 CO 0.39 0.09 -0.54 -1.21 -2.27 0.00 0.00 179.45 175.91 1xpw s GLU 81 N -3.17 2.75 0.00 1.90 2.02 -1.26 -4.99 118.70 115.94 1xpw s GLU 81 Ca 0.06 -1.18 0.00 0.00 0.02 0.00 0.00 54.97 53.87 1xpw s GLU 81 Cb 0.06 -2.45 0.00 0.00 0.10 0.00 0.00 34.13 31.84 1xpw s GLU 81 CO 0.69 0.34 1.11 -2.30 0.02 0.00 0.00 175.26 175.12 1xpw n PRO 82 N -1.14 0.71 -4.64 0.39 -0.02 -1.26 -4.79 135.00 124.24 1xpw n PRO 82 Ca -0.07 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.10 1xpw n PRO 82 Cb 0.58 -1.14 -0.07 0.00 -0.02 0.00 0.00 33.50 32.85 1xpw n PRO 82 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1xpw n VAL 83 N 1.20 0.00 -2.61 -1.45 0.24 -1.26 -4.97 118.33 109.48 1xpw n VAL 83 Ca 0.00 -2.42 -0.02 0.00 -2.04 0.00 0.00 64.34 59.86 1xpw n VAL 83 Cb 0.36 0.57 -0.02 0.00 -1.47 0.00 0.00 33.84 33.28 1xpw n VAL 83 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1xpw n ASP 84 N -1.36 -4.88 -4.57 -1.34 2.03 -1.26 -4.58 116.55 100.59 1xpw n ASP 84 Ca -0.18 1.33 -0.39 0.00 0.52 0.00 0.00 54.79 56.07 1xpw n ASP 84 Cb 0.64 -5.10 -0.10 0.00 -0.72 0.00 0.00 41.12 35.84 1xpw n ASP 84 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1xpw s PHE 85 N -1.20 3.23 -0.21 -0.67 0.08 -1.26 -4.49 117.98 113.46 1xpw s PHE 85 Ca -0.11 0.11 -0.13 0.00 0.12 0.00 0.00 56.93 56.92 1xpw s PHE 85 Cb 0.01 -2.52 -0.04 0.00 -0.57 0.00 0.00 43.02 39.89 1xpw s PHE 85 CO 0.75 -0.28 0.28 -1.21 -0.10 0.00 0.00 175.22 174.66 1xpw s GLU 86 N 1.90 4.15 -0.19 0.44 2.02 0.43 -4.95 118.70 122.50 1xpw s GLU 86 Ca 0.10 -0.01 -0.29 0.00 0.02 0.00 0.00 54.97 54.79 1xpw s GLU 86 Cb -0.16 -3.51 -0.01 0.00 0.10 0.00 0.00 34.13 30.54 1xpw s GLU 86 CO 0.11 0.06 1.26 -1.14 0.02 0.00 0.00 175.26 175.57 1xpw s GLN 87 N 1.04 4.18 0.00 1.61 -0.44 -1.26 -0.82 119.66 123.97 1xpw s GLN 87 Ca 0.14 1.58 0.00 0.00 -2.50 0.00 0.00 55.36 54.58 1xpw s GLN 87 Cb -0.14 -3.78 0.00 0.00 -1.64 0.00 0.00 33.01 27.45 1xpw s GLN 87 CO 0.05 -0.78 0.00 1.87 0.50 0.00 0.00 175.29 176.94 1xpw n TRP 88 N 6.78 0.00 -3.76 1.67 -0.00 -1.12 -4.93 117.44 116.09 1xpw n TRP 88 Ca 0.14 0.00 -0.13 0.00 -0.00 0.00 0.00 57.50 57.51 1xpw n TRP 88 Cb 0.45 0.00 -0.13 0.00 -0.00 0.00 0.00 31.31 31.63 1xpw n TRP 88 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 177.69 178.65 1xpw s ILE 89 N 0.00 -0.03 -0.12 5.87 -4.36 -1.08 -5.03 121.20 116.45 1xpw s ILE 89 Ca 0.00 0.10 -0.02 0.00 -0.26 0.00 0.00 60.65 60.47 1xpw s ILE 89 Cb 0.00 -0.33 -0.03 0.00 1.25 0.00 0.00 42.46 43.35 1xpw s ILE 89 CO 0.00 0.04 -0.05 -0.70 0.24 0.00 0.00 174.94 174.47 1xpw s GLU 90 N 0.84 3.33 0.03 0.37 2.12 -1.26 -0.41 118.70 123.72 1xpw s GLU 90 Ca -0.06 -0.52 0.04 0.00 0.36 0.00 0.00 54.97 54.79 1xpw s GLU 90 Cb -0.07 -2.80 -0.02 0.00 0.26 0.00 0.00 34.13 31.50 1xpw s GLU 90 CO -0.05 0.41 -0.13 0.21 -0.54 0.00 0.00 175.26 175.16 1xpw s LYS 91 N -0.10 0.87 -0.44 4.30 2.20 0.42 -4.98 119.74 122.01 1xpw s LYS 91 Ca 0.02 -0.67 -0.16 0.00 -0.36 0.00 0.00 55.97 54.80 1xpw s LYS 91 Cb -0.13 -0.85 0.04 0.00 -1.51 0.00 0.00 37.83 35.38 1xpw s LYS 91 CO 0.03 0.21 0.39 0.16 -0.36 0.00 0.00 175.35 175.77 1xpw s ASP 92 N -0.99 6.15 -0.29 1.43 -4.77 -1.25 -0.52 116.67 116.43 1xpw s ASP 92 Ca 0.01 -1.00 -0.29 0.00 -3.30 0.00 0.00 52.55 47.98 1xpw s ASP 92 Cb -0.07 -2.19 0.01 0.00 -1.09 0.00 0.00 42.92 39.58 1xpw s ASP 92 CO 0.01 -0.58 1.04 -0.22 0.70 0.00 0.00 175.17 176.12 1xpw s LEU 93 N 1.84 4.00 -0.49 2.11 0.20 0.18 -4.98 118.68 121.55 1xpw s LEU 93 Ca 0.07 1.15 -0.28 0.00 0.69 0.00 0.00 54.13 55.76 1xpw s LEU 93 Cb -0.20 -3.51 0.03 0.00 -0.43 0.00 0.00 46.19 42.07 1xpw s LEU 93 CO 0.10 -0.79 1.09 -0.69 -0.29 0.00 0.00 176.35 175.78 1xpw s VAL 94 N 3.44 4.25 0.06 1.68 1.01 -1.26 -4.34 120.40 125.24 1xpw s VAL 94 Ca 0.44 1.06 -0.31 0.00 0.00 0.00 0.00 61.98 63.18 1xpw s VAL 94 Cb -0.13 -4.58 -0.08 0.00 0.00 0.00 0.00 36.38 31.59 1xpw s VAL 94 CO 0.12 -1.01 1.59 -2.28 0.00 0.00 0.00 175.10 173.52 1xpw s HIS 95 N 4.35 2.56 -0.29 5.22 2.46 -1.26 -4.96 115.29 123.37 1xpw s HIS 95 Ca 0.45 0.45 -0.28 0.00 0.47 0.00 0.00 55.06 56.14 1xpw s HIS 95 Cb -0.08 -3.90 0.01 0.00 -0.13 0.00 0.00 32.58 28.49 1xpw s HIS 95 CO 0.30 -3.54 1.02 0.95 -2.47 0.00 0.00 174.74 171.00 1xpw s THR 96 N 2.46 4.61 -0.27 0.89 -4.23 -1.26 -5.00 115.64 112.85 1xpw s THR 96 Ca 0.72 1.76 -0.29 0.00 -1.18 0.00 0.00 61.69 62.69 1xpw s THR 96 Cb -0.38 -4.34 -0.00 0.00 1.34 0.00 0.00 72.50 69.12 1xpw s THR 96 CO 0.31 -0.34 1.29 -1.61 -0.54 0.00 0.00 174.62 173.73 1xpw s GLU 97 N 3.39 3.99 0.00 3.99 0.41 -1.26 -3.45 118.70 125.78 1xpw s GLU 97 Ca 0.43 1.35 0.00 0.00 -0.41 0.00 0.00 54.97 56.34 1xpw s GLU 97 Cb -0.13 -3.85 0.00 0.00 -1.78 0.00 0.00 34.13 28.37 1xpw s GLU 97 CO 0.12 -1.02 0.00 0.41 -0.49 0.00 0.00 175.26 174.28 1xpw n GLY 98 N 4.14 2.98 3.87 -1.39 0.00 -1.26 -4.98 105.19 108.55 1xpw n GLY 98 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1xpw n GLY 98 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xpw s GLN 99 N -0.18 3.46 -0.30 1.61 -0.21 -1.22 -5.08 119.66 117.74 1xpw s GLN 99 Ca 0.00 -0.14 -0.11 0.00 0.02 0.00 0.00 55.36 55.12 1xpw s GLN 99 Cb 0.00 -3.19 -0.03 0.00 1.00 0.00 0.00 33.01 30.79 1xpw s GLN 99 CO 0.00 0.75 0.20 -1.17 -2.12 0.00 0.00 175.29 172.95 1xpw s LEU 100 N -0.95 4.18 0.22 2.90 1.98 -1.26 -4.64 118.68 121.10 1xpw s LEU 100 Ca 0.15 -0.23 0.11 0.00 -2.89 0.00 0.00 54.13 51.27 1xpw s LEU 100 Cb -0.12 -2.10 -0.05 0.00 0.66 0.00 0.00 46.19 44.58 1xpw s LEU 100 CO 0.04 -0.13 -0.20 0.00 -1.89 0.00 0.00 176.35 174.16 1xpw s GLN 101 N 1.72 1.65 -0.41 1.98 -2.07 -1.26 -5.10 119.66 116.18 1xpw s GLN 101 Ca 0.06 -1.55 -0.08 0.00 -1.82 0.00 0.00 55.36 51.97 1xpw s GLN 101 Cb -0.17 -1.88 0.08 0.00 -1.09 0.00 0.00 33.01 29.95 1xpw s GLN 101 CO 0.10 0.39 0.23 -0.80 -1.32 0.00 0.00 175.29 173.89 1xpw s ASN 102 N -2.93 5.55 -0.26 12.60 -0.87 -1.26 -4.62 114.94 123.14 1xpw s ASN 102 Ca 0.24 -1.52 -0.18 0.00 -1.57 0.00 0.00 52.86 49.83 1xpw s ASN 102 Cb -0.07 -1.95 -0.03 0.00 -0.02 0.00 0.00 41.25 39.18 1xpw s ASN 102 CO 0.12 -0.51 0.51 -0.70 -2.57 0.00 0.00 177.10 173.96 1xpw s GLU 103 N 1.39 4.07 -0.56 -0.60 2.12 -1.01 -4.91 118.70 119.21 1xpw s GLU 103 Ca 0.03 0.33 -0.20 0.00 0.36 0.00 0.00 54.97 55.48 1xpw s GLU 103 Cb -0.23 -3.65 0.07 0.00 0.26 0.00 0.00 34.13 30.59 1xpw s GLU 103 CO 0.01 -0.34 0.72 -1.21 -0.54 0.00 0.00 175.26 173.91 1xpw s GLU 104 N 2.28 3.12 -0.67 4.30 8.01 -1.26 -0.93 118.70 133.55 1xpw s GLU 104 Ca 0.21 -0.95 -0.27 0.00 0.01 0.00 0.00 54.97 53.97 1xpw s GLU 104 Cb -0.16 -4.16 0.03 0.00 -4.31 0.00 0.00 34.13 25.53 1xpw s GLU 104 CO 0.09 -1.42 1.25 0.42 0.01 0.00 0.00 175.26 175.61 1xpw s ILE 105 N 2.96 3.84 -0.39 -1.63 1.01 0.50 -4.81 121.20 122.67 1xpw s ILE 105 Ca 0.16 0.61 -0.29 0.00 0.00 0.00 0.00 60.65 61.13 1xpw s ILE 105 Cb -0.20 -4.84 0.01 0.00 0.01 0.00 0.00 42.46 37.44 1xpw s ILE 105 CO 0.11 -1.65 1.39 -0.69 0.00 0.00 0.00 174.94 174.10 1xpw s VAL 106 N 5.44 3.94 -0.23 2.92 1.01 -1.26 -0.39 120.40 131.83 1xpw s VAL 106 Ca 0.38 0.98 -0.18 0.00 0.00 0.00 0.00 61.98 63.16 1xpw s VAL 106 Cb -0.08 -4.20 0.06 0.00 0.00 0.00 0.00 36.38 32.17 1xpw s VAL 106 CO 0.19 -0.71 0.60 0.00 0.00 0.00 0.00 175.10 175.18 1xpw s ALA 107 N 5.25 -1.54 -0.26 5.51 0.00 0.21 -4.97 121.76 125.97 1xpw s ALA 107 Ca 0.60 1.87 -0.12 0.00 0.00 0.00 0.00 51.96 54.32 1xpw s ALA 107 Cb -0.14 -1.10 -0.05 0.00 0.00 0.00 0.00 23.12 21.83 1xpw s ALA 107 CO 0.31 -0.31 0.22 -1.01 0.00 0.00 0.00 175.76 174.97 1xpw s HIS 108 N 0.80 3.27 -0.13 0.00 3.76 -1.26 -3.52 115.29 118.22 1xpw s HIS 108 Ca -0.04 0.24 -0.30 0.00 -0.15 0.00 0.00 55.06 54.81 1xpw s HIS 108 Cb -0.05 -2.37 0.12 0.00 1.11 0.00 0.00 32.58 31.38 1xpw s HIS 108 CO -0.06 -0.07 0.93 0.20 -0.85 0.00 0.00 174.74 174.89 1xpw s GLY 109 N 1.41 -0.34 -0.14 -2.22 0.00 -0.73 -5.02 107.32 100.28 1xpw s GLY 109 Ca 0.09 1.85 -0.02 0.00 0.00 0.00 0.00 44.72 46.64 1xpw s GLY 109 CO 0.08 0.98 -0.09 -0.56 0.00 0.00 0.00 173.10 173.52 1xpw s SER 110 N -1.19 4.37 0.08 1.64 0.01 -1.26 -0.82 113.70 116.53 1xpw s SER 110 Ca -0.03 -0.24 -0.17 0.00 1.31 0.00 0.00 55.95 56.82 1xpw s SER 110 Cb -0.00 -1.69 0.04 0.00 0.21 0.00 0.00 66.02 64.57 1xpw s SER 110 CO 0.03 0.17 0.41 0.00 0.41 0.00 0.00 173.24 174.26 1xpw s ALA 111 N 0.36 -0.99 -0.08 1.44 0.00 -1.22 -4.78 121.76 116.48 1xpw s ALA 111 Ca -0.08 0.18 0.14 0.00 0.00 0.00 0.00 51.96 52.21 1xpw s ALA 111 Cb -0.15 0.48 -0.21 0.00 0.00 0.00 0.00 23.12 23.24 1xpw s ALA 111 CO 0.04 -0.53 0.20 0.25 0.00 0.00 0.00 175.76 175.73 1xpw n THR 112 N 0.22 0.47 -4.55 0.00 -2.24 0.05 -3.58 114.28 104.64 1xpw n THR 112 Ca -0.18 -0.48 -0.23 0.00 -2.27 0.00 0.00 64.05 60.90 1xpw n THR 112 Cb 0.61 -0.22 -0.16 0.00 -2.10 0.00 0.00 70.33 68.47 1xpw n THR 112 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1xpw s TYR 113 N -2.74 1.24 -0.20 4.78 1.51 -0.27 -0.57 117.35 121.11 1xpw s TYR 113 Ca -0.06 -0.34 -0.02 0.00 -1.01 0.00 0.00 57.07 55.64 1xpw s TYR 113 Cb 0.07 -0.87 -0.00 0.00 -0.11 0.00 0.00 41.96 41.06 1xpw s TYR 113 CO 0.62 -0.13 -0.10 -0.51 -1.11 0.00 0.00 175.55 174.32 1xpw s LEU 114 N 0.17 2.63 -0.47 -1.29 1.43 0.44 -0.92 118.68 120.67 1xpw s LEU 114 Ca -0.04 -0.46 -0.09 0.00 -1.03 0.00 0.00 54.13 52.50 1xpw s LEU 114 Cb -0.10 -1.64 0.12 0.00 0.03 0.00 0.00 46.19 44.60 1xpw s LEU 114 CO 0.01 0.01 0.34 -0.60 0.23 0.00 0.00 176.35 176.35 1xpw s ARG 115 N 1.26 2.49 -0.47 1.70 3.52 0.47 -0.48 118.95 127.44 1xpw s ARG 115 Ca 0.03 -1.75 -0.25 0.00 -0.13 0.00 0.00 55.73 53.63 1xpw s ARG 115 Cb -0.14 -3.92 0.03 0.00 -1.56 0.00 0.00 34.95 29.35 1xpw s ARG 115 CO -0.05 -1.18 0.90 -0.06 -0.81 0.00 0.00 175.30 174.10 1xpw s PHE 116 N 1.37 2.92 -0.46 5.12 0.08 -0.33 -0.42 117.98 126.25 1xpw s PHE 116 Ca 0.06 0.30 -0.09 0.00 0.12 0.00 0.00 56.93 57.31 1xpw s PHE 116 Cb -0.26 -3.93 0.11 0.00 -0.57 0.00 0.00 43.02 38.37 1xpw s PHE 116 CO -0.01 -1.11 0.33 0.42 -0.10 0.00 0.00 175.22 174.75 1xpw s ILE 117 N 3.69 4.17 -0.67 0.64 1.01 0.21 -2.22 121.20 128.04 1xpw s ILE 117 Ca 0.35 -1.75 -0.25 0.00 0.00 0.00 0.00 60.65 59.00 1xpw s ILE 117 Cb -0.11 -3.73 0.05 0.00 0.01 0.00 0.00 42.46 38.68 1xpw s ILE 117 CO 0.25 -0.74 1.11 -0.63 0.00 0.00 0.00 174.94 174.93 1xpw s ILE 118 N 1.36 4.06 -0.03 2.92 1.01 0.46 -0.42 121.20 130.56 1xpw s ILE 118 Ca 0.05 0.17 -0.24 0.00 0.00 0.00 0.00 60.65 60.63 1xpw s ILE 118 Cb -0.26 -4.76 -0.21 0.00 0.01 0.00 0.00 42.46 37.24 1xpw s ILE 118 CO -0.01 -1.56 1.14 0.58 0.00 0.00 0.00 174.94 175.09 1xpw h VAL 119 N 6.02 1.48 -3.73 2.92 2.07 -1.25 -0.87 116.25 122.89 1xpw h VAL 119 Ca -0.28 -1.64 -0.08 0.00 0.82 0.00 0.00 66.70 65.53 1xpw h VAL 119 Cb 1.06 2.47 -0.11 0.00 -1.52 0.00 0.00 31.29 33.20 1xpw h VAL 119 CO 1.21 0.45 -0.19 -0.44 0.02 0.00 0.00 177.57 178.61 1xpw s SER 120 N -6.11 -0.06 0.21 0.57 0.01 -1.23 -4.65 113.70 102.44 1xpw s SER 120 Ca -0.16 -0.86 -0.09 0.00 1.31 0.00 0.00 55.95 56.15 1xpw s SER 120 Cb 0.02 0.52 -0.01 0.00 0.21 0.00 0.00 66.02 66.76 1xpw s SER 120 CO 0.72 -1.02 0.35 0.00 0.41 0.00 0.00 173.24 173.70 1xpw s ALA 121 N -3.99 0.11 -0.34 1.44 0.00 -1.26 -1.21 121.76 116.52 1xpw s ALA 121 Ca 0.19 -1.04 0.27 0.00 0.00 0.00 0.00 51.96 51.38 1xpw s ALA 121 Cb 0.01 1.08 0.83 0.00 0.00 0.00 0.00 23.12 25.04 1xpw s ALA 121 CO 0.04 -0.74 1.77 0.74 0.00 0.00 0.00 175.76 177.57 1xpw h PHE 122 N 2.41 0.00 -4.58 0.00 0.04 -1.41 -3.45 116.94 109.94 1xpw h PHE 122 Ca -0.30 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.15 1xpw h PHE 122 Cb 1.24 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.34 1xpw h PHE 122 CO 0.39 0.00 -0.22 -3.47 -0.60 0.00 0.00 178.31 174.41 1xpw n ASP 123 N -2.82 2.56 -0.01 2.17 -0.08 -1.25 -5.06 116.55 112.06 1xpw n ASP 123 Ca 0.03 -2.07 0.08 0.00 -1.51 0.00 0.00 54.79 51.32 1xpw n ASP 123 Cb 0.40 0.14 -0.11 0.00 2.34 0.00 0.00 41.12 43.89 1xpw n ASP 123 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 1xpw n HIS 124 N -0.70 0.00 -4.40 -0.67 -0.00 -1.26 -4.89 115.22 103.30 1xpw n HIS 124 Ca -0.09 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.29 1xpw n HIS 124 Cb 0.31 -0.26 -0.14 0.00 -0.00 0.00 0.00 29.99 29.91 1xpw n HIS 124 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1xpw s PHE 125 N -2.90 2.92 -0.19 1.57 0.08 -1.26 -4.22 117.98 113.98 1xpw s PHE 125 Ca -0.02 -0.62 -0.07 0.00 0.12 0.00 0.00 56.93 56.34 1xpw s PHE 125 Cb 0.10 -1.96 -0.04 0.00 -0.57 0.00 0.00 43.02 40.56 1xpw s PHE 125 CO 0.64 -0.26 0.04 0.00 -0.10 0.00 0.00 175.22 175.54 1xpw s ALA 126 N 0.69 3.26 -0.08 5.36 0.00 -1.26 -4.82 121.76 124.90 1xpw s ALA 126 Ca -0.04 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.10 1xpw s ALA 126 Cb -0.15 -1.87 0.01 0.00 0.00 0.00 0.00 23.12 21.12 1xpw s ALA 126 CO 0.02 0.05 -0.13 0.45 0.00 0.00 0.00 175.76 176.15 1xpw s SER 127 N 0.63 2.04 -0.13 0.00 0.15 -1.23 -0.29 113.70 114.88 1xpw s SER 127 Ca 0.02 -0.34 -0.06 0.00 0.70 0.00 0.00 55.95 56.27 1xpw s SER 127 Cb -0.13 -0.91 -0.04 0.00 -1.71 0.00 0.00 66.02 63.23 1xpw s SER 127 CO 0.02 0.01 0.10 0.54 1.20 0.00 0.00 173.24 175.11 1xpw s VAL 128 N 0.88 5.15 -0.24 4.45 0.11 0.36 -0.96 120.40 130.14 1xpw s VAL 128 Ca -0.10 0.08 -0.18 0.00 -2.93 0.00 0.00 61.98 58.85 1xpw s VAL 128 Cb -0.15 -3.25 -0.16 0.00 -1.53 0.00 0.00 36.38 31.29 1xpw s VAL 128 CO 0.01 0.58 -0.05 1.57 -3.33 0.00 0.00 175.10 173.88 1xpw n HIS 129 N 2.37 0.55 -3.57 1.54 -0.00 0.15 -0.72 115.22 115.53 1xpw n HIS 129 Ca -0.19 0.24 -0.16 0.00 0.46 0.00 0.00 57.72 58.07 1xpw n HIS 129 Cb 0.54 -1.05 -0.06 0.00 -0.12 0.00 0.00 29.99 29.29 1xpw n HIS 129 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1xpw s SER 130 N -7.16 -0.70 0.10 0.26 0.01 -0.99 -4.49 113.70 100.73 1xpw s SER 130 Ca -0.34 1.06 0.08 0.00 1.31 0.00 0.00 55.95 58.07 1xpw s SER 130 Cb 0.10 0.97 -0.03 0.00 0.21 0.00 0.00 66.02 67.27 1xpw s SER 130 CO 0.55 -0.44 -0.21 0.68 0.41 0.00 0.00 173.24 174.23 1xpw s VAL 131 N -0.46 1.70 0.01 3.43 -7.23 -1.25 -0.44 120.40 116.16 1xpw s VAL 131 Ca -0.06 -1.52 -0.16 0.00 -1.81 0.00 0.00 61.98 58.43 1xpw s VAL 131 Cb -0.02 -1.54 0.03 0.00 0.56 0.00 0.00 36.38 35.40 1xpw s VAL 131 CO 0.06 -0.05 0.34 -0.55 -0.31 0.00 0.00 175.10 174.60 1xpw s SER 132 N -1.86 -0.21 -0.10 4.85 0.15 0.02 -4.71 113.70 111.83 1xpw s SER 132 Ca 0.06 0.03 0.01 0.00 0.70 0.00 0.00 55.95 56.75 1xpw s SER 132 Cb -0.10 0.35 0.02 0.00 -1.71 0.00 0.00 66.02 64.58 1xpw s SER 132 CO 0.04 -0.54 -0.13 0.00 1.20 0.00 0.00 173.24 173.81 1xpw s ALA 133 N -1.84 1.56 -0.17 5.45 0.00 -1.26 -0.42 121.76 125.07 1xpw s ALA 133 Ca -0.10 -0.65 -0.09 0.00 0.00 0.00 0.00 51.96 51.12 1xpw s ALA 133 Cb -0.03 -0.81 -0.05 0.00 0.00 0.00 0.00 23.12 22.24 1xpw s ALA 133 CO 0.01 -0.11 0.13 -1.21 0.00 0.00 0.00 175.76 174.59 1xpw s GLU 134 N 1.07 3.95 0.00 0.00 2.02 0.53 -0.99 118.70 125.29 1xpw s GLU 134 Ca -0.06 -0.19 0.00 0.00 0.02 0.00 0.00 54.97 54.75 1xpw s GLU 134 Cb -0.15 -3.35 0.00 0.00 0.10 0.00 0.00 34.13 30.74 1xpw s GLU 134 CO -0.02 0.45 0.00 0.41 0.02 0.00 0.00 175.26 176.12 1xpw n GLY 135 N 3.03 -0.65 3.04 -1.39 0.00 -1.25 0.09 105.19 108.05 1xpw n GLY 135 Ca -0.17 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 1xpw n GLY 135 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xpw s THR 136 N -4.00 0.30 -0.26 2.61 -4.23 -0.91 -2.43 115.64 106.72 1xpw s THR 136 Ca 0.00 -1.21 -0.28 0.00 -1.18 0.00 0.00 61.69 59.02 1xpw s THR 136 Cb 0.00 -0.71 0.01 0.00 1.34 0.00 0.00 72.50 73.14 1xpw s THR 136 CO 0.00 -0.59 0.98 -0.69 -0.54 0.00 0.00 174.62 173.78 1xpw s VAL 137 N -2.09 4.68 -0.17 2.29 1.01 -1.26 -1.12 120.40 123.74 1xpw s VAL 137 Ca -0.08 1.80 -0.20 0.00 0.00 0.00 0.00 61.98 63.50 1xpw s VAL 137 Cb -0.05 -4.28 -0.17 0.00 0.00 0.00 0.00 36.38 31.88 1xpw s VAL 137 CO -0.03 -0.23 0.26 0.58 0.00 0.00 0.00 175.10 175.68 1xpw h VAL 138 N 5.52 0.90 -3.54 2.92 2.07 -1.85 -3.46 116.25 118.81 1xpw h VAL 138 Ca -0.21 -1.93 -0.64 0.00 0.82 0.00 0.00 66.70 64.74 1xpw h VAL 138 Cb 1.07 1.95 -0.22 0.00 -1.52 0.00 0.00 31.29 32.57 1xpw h VAL 138 CO 0.96 0.30 -0.63 -0.94 0.02 0.00 0.00 177.57 177.29 1xpw s SER 139 N -6.43 5.08 -0.43 0.57 1.04 -0.84 -5.06 113.70 107.63 1xpw s SER 139 Ca -0.22 -0.18 -0.16 0.00 0.48 0.00 0.00 55.95 55.87 1xpw s SER 139 Cb 0.03 -1.89 0.03 0.00 0.10 0.00 0.00 66.02 64.29 1xpw s SER 139 CO 0.51 0.02 0.38 0.20 0.98 0.00 0.00 173.24 175.33 1xpw s ASN 140 N 1.31 6.15 -0.76 7.02 -0.87 -1.26 -4.43 114.94 122.09 1xpw s ASN 140 Ca 0.05 -0.91 -0.26 0.00 -1.57 0.00 0.00 52.86 50.17 1xpw s ASN 140 Cb -0.15 -2.19 0.04 0.00 -0.02 0.00 0.00 41.25 38.93 1xpw s ASN 140 CO 0.03 -0.56 1.27 -0.76 -2.57 0.00 0.00 177.10 174.51 1xpw s LEU 141 N 1.88 3.32 0.00 0.60 1.02 -1.26 -4.27 118.68 119.97 1xpw s LEU 141 Ca 0.08 -0.62 0.00 0.00 0.02 0.00 0.00 54.13 53.61 1xpw s LEU 141 Cb -0.19 -2.55 0.00 0.00 0.02 0.00 0.00 46.19 43.47 1xpw s LEU 141 CO 0.11 -1.76 0.00 -1.20 0.02 0.00 0.00 176.35 173.51 1xpw n SER 142 N 9.16 0.00 -0.31 2.29 7.64 -1.26 -5.19 113.62 125.95 1xpw n SER 142 Ca 0.06 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.09 1xpw n SER 142 Cb 0.49 0.28 0.67 0.00 -1.01 0.00 0.00 64.21 64.64 1xpw n SER 142 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83