#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpw n ARG 2 N 0.00 1.77 -3.63 3.17 1.74 -1.26 -4.73 116.66 113.72 1xpw n ARG 2 Ca 0.00 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.81 1xpw n ARG 2 Cb 0.00 -0.43 -0.11 0.00 -1.02 0.00 0.00 32.46 30.90 1xpw n ARG 2 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1xpw n LYS 3 N -0.33 1.11 -4.75 5.56 5.02 -1.19 -3.67 118.16 119.92 1xpw n LYS 3 Ca 0.00 -3.88 -0.32 0.00 -2.02 0.00 0.00 58.31 52.08 1xpw n LYS 3 Cb 0.00 -1.98 -0.12 0.00 -0.02 0.00 0.00 35.03 32.91 1xpw n LYS 3 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1xpw s ILE 4 N -0.85 3.20 -0.74 -0.18 2.07 -0.80 -4.75 121.20 119.14 1xpw s ILE 4 Ca 0.30 -0.78 -0.26 0.00 -1.41 0.00 0.00 60.65 58.50 1xpw s ILE 4 Cb 0.01 -2.30 -0.02 0.00 0.13 0.00 0.00 42.46 40.28 1xpw s ILE 4 CO -0.17 0.52 1.84 -1.81 -1.91 0.00 0.00 174.94 173.41 1xpw s ASP 5 N -0.97 5.32 0.25 4.50 1.11 -1.25 -3.18 116.67 122.45 1xpw s ASP 5 Ca 0.13 -0.16 0.25 0.00 0.18 0.00 0.00 52.55 52.95 1xpw s ASP 5 Cb -0.11 -2.54 0.89 0.00 1.07 0.00 0.00 42.92 42.23 1xpw s ASP 5 CO 0.03 -2.45 1.75 -0.07 1.18 0.00 0.00 175.17 175.61 1xpw h LEU 6 N 16.63 0.00 -0.91 1.23 3.38 -0.24 -3.08 115.31 132.32 1xpw h LEU 6 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1xpw h LEU 6 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1xpw h LEU 6 CO 1.23 0.00 -0.24 0.00 0.09 0.00 0.00 178.44 179.52 1xpw s LEU 8 N -2.34 3.24 0.49 0.00 1.43 -1.17 -4.66 118.68 115.68 1xpw s LEU 8 Ca 0.26 1.57 0.18 0.00 -1.03 0.00 0.00 54.13 55.10 1xpw s LEU 8 Cb 0.19 -4.49 1.20 0.00 0.03 0.00 0.00 46.19 43.12 1xpw s LEU 8 CO 0.47 -1.15 2.07 0.28 0.23 0.00 0.00 176.35 178.25 1xpw h SER 9 N -0.33 0.00 0.41 2.29 0.02 -1.90 -0.19 113.55 113.86 1xpw h SER 9 Ca -0.44 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.47 1xpw h SER 9 Cb 1.20 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 1xpw h SER 9 CO 0.59 0.11 -0.19 0.77 -1.14 0.00 0.00 176.83 176.97 1xpw h SER 10 N 0.00 0.00 0.02 3.07 4.64 -1.93 -0.88 113.55 118.47 1xpw h SER 10 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xpw h SER 10 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1xpw h SER 10 CO 0.01 0.19 -0.04 -0.62 -0.87 0.00 0.00 176.83 175.51 1xpw n GLU 11 N -3.77 1.60 -0.99 4.77 -0.58 -0.11 -4.93 120.64 116.62 1xpw n GLU 11 Ca -0.02 -0.97 0.00 0.00 -0.42 0.00 0.00 57.16 55.75 1xpw n GLU 11 Cb 0.30 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 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 1.21 0.44 3.65 0.62 0.00 -0.34 -4.95 105.19 105.82 1xpw n GLY 12 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.06 6.75 0.13 1.61 0.01 -1.13 -4.81 113.70 114.19 1xpw s SER 13 Ca 0.00 1.84 0.03 0.00 1.31 0.00 0.00 55.95 59.14 1xpw s SER 13 Cb 0.00 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 1xpw s SER 13 CO 0.00 -0.91 0.17 -1.61 0.41 0.00 0.00 173.24 171.30 1xpw s GLU 14 N 3.90 3.10 0.19 12.44 2.02 -0.58 -4.55 118.70 135.23 1xpw s GLU 14 Ca 0.64 -0.71 -0.09 0.00 0.02 0.00 0.00 54.97 54.83 1xpw s GLU 14 Cb -0.26 -2.79 -0.07 0.00 0.10 0.00 0.00 34.13 31.11 1xpw s GLU 14 CO 0.22 0.53 0.50 0.14 0.02 0.00 0.00 175.26 176.67 1xpw s VAL 15 N -1.64 5.00 0.03 2.63 -7.23 -1.26 -0.86 120.40 117.07 1xpw s VAL 15 Ca 0.32 0.37 -0.00 0.00 -1.81 0.00 0.00 61.98 60.86 1xpw s VAL 15 Cb -0.11 -3.63 -0.03 0.00 0.56 0.00 0.00 36.38 33.18 1xpw s VAL 15 CO 0.25 -0.01 -0.03 -0.51 -0.31 0.00 0.00 175.10 174.49 1xpw s ILE 16 N -1.73 0.17 0.00 -0.62 2.07 0.48 -4.91 121.20 116.66 1xpw s ILE 16 Ca 0.44 -1.17 0.00 0.00 -1.41 0.00 0.00 60.65 58.51 1xpw s ILE 16 Cb -0.12 -0.63 0.00 0.00 0.13 0.00 0.00 42.46 41.84 1xpw s ILE 16 CO 0.22 -0.63 0.00 -0.11 -1.91 0.00 0.00 174.94 172.51 1xpw n LEU 17 N 1.17 0.00 -2.76 8.50 0.00 -1.26 -2.38 117.00 120.27 1xpw n LEU 17 Ca -0.21 0.00 -0.02 0.00 0.00 0.00 0.00 56.01 55.78 1xpw n LEU 17 Cb 0.57 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.97 1xpw n LEU 17 CO 0.22 0.00 -0.52 0.00 0.00 0.00 0.00 177.39 177.09 1xpw n ALA 18 N 2.85 -3.22 -0.23 1.96 0.00 -1.26 -4.91 120.51 115.71 1xpw n ALA 18 Ca 0.00 1.06 -0.06 0.00 0.00 0.00 0.00 53.44 54.44 1xpw n ALA 18 Cb 0.00 -2.18 0.04 0.00 0.00 0.00 0.00 19.45 17.31 1xpw n ALA 18 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1xpw h THR 19 N 3.63 1.20 -3.63 0.00 1.35 -1.77 -3.37 112.91 110.32 1xpw h THR 19 Ca -0.19 -0.48 -0.70 0.00 -0.55 0.00 0.00 66.41 64.48 1xpw h THR 19 Cb 0.55 0.36 -0.27 0.00 -1.73 0.00 0.00 68.15 67.06 1xpw h THR 19 CO 0.05 0.21 -0.56 -0.44 -0.25 0.00 0.00 175.52 174.53 1xpw s SER 20 N -5.93 5.49 -0.29 5.36 0.01 -1.26 -5.04 113.70 112.04 1xpw s SER 20 Ca -0.13 -1.12 0.00 0.00 1.31 0.00 0.00 55.95 56.01 1xpw s SER 20 Cb 0.13 -1.93 0.09 0.00 0.21 0.00 0.00 66.02 64.52 1xpw s SER 20 CO 0.78 -0.36 0.04 -0.94 0.41 0.00 0.00 173.24 173.17 1xpw s SER 21 N 1.50 4.03 0.21 2.44 1.04 -1.26 -4.76 113.70 116.89 1xpw s SER 21 Ca -0.00 -1.55 -0.08 0.00 0.48 0.00 0.00 55.95 54.80 1xpw s SER 21 Cb -0.20 -1.07 -0.06 0.00 0.10 0.00 0.00 66.02 64.79 1xpw s SER 21 CO 0.04 -0.35 0.49 -0.62 0.98 0.00 0.00 173.24 173.78 1xpw s ASP 22 N 1.44 6.57 0.34 7.02 2.15 -1.12 -4.97 116.67 128.10 1xpw s ASP 22 Ca 0.05 0.79 0.18 0.00 0.43 0.00 0.00 52.55 54.00 1xpw s ASP 22 Cb -0.18 -2.17 0.42 0.00 -0.30 0.00 0.00 42.92 40.69 1xpw s ASP 22 CO -0.15 -0.04 1.61 -0.08 -0.17 0.00 0.00 175.17 176.33 1xpw h GLU 23 N 2.55 0.00 0.00 4.34 4.81 -1.99 -1.59 114.58 122.70 1xpw h GLU 23 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1xpw h GLU 23 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1xpw h GLU 23 CO 0.70 0.43 -1.01 1.63 -0.73 0.00 0.00 179.01 180.03 1xpw n LYS 24 N -3.37 0.43 -3.26 1.92 5.02 -1.26 -4.54 118.16 113.10 1xpw n LYS 24 Ca 0.01 0.05 -0.25 0.00 -2.02 0.00 0.00 58.31 56.10 1xpw n LYS 24 Cb 0.61 -1.69 -0.08 0.00 -0.02 0.00 0.00 35.03 33.85 1xpw n LYS 24 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1xpw n HIS 25 N -2.27 -0.26 -2.32 2.13 8.25 -1.07 -5.00 115.22 114.67 1xpw n HIS 25 Ca 0.01 -3.54 -0.35 0.00 -0.26 0.00 0.00 57.72 53.58 1xpw n HIS 25 Cb 0.49 -0.22 -0.01 0.00 1.12 0.00 0.00 29.99 31.37 1xpw n HIS 25 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1xpw s PRO 26 N -0.96 3.52 0.21 -0.41 0.04 -0.62 -2.79 135.00 133.99 1xpw s PRO 26 Ca 0.35 1.59 0.16 0.00 0.04 0.00 0.00 61.00 63.13 1xpw s PRO 26 Cb 0.14 -2.10 0.81 0.00 0.04 0.00 0.00 34.50 33.39 1xpw s PRO 26 CO -0.13 -0.70 1.49 -2.30 0.04 0.00 0.00 177.00 175.40 1xpw n PRO 27 N -1.08 0.10 0.30 0.56 -0.02 -1.26 -1.22 135.00 132.39 1xpw n PRO 27 Ca 0.10 0.55 0.18 0.00 -2.02 0.00 0.00 63.50 62.32 1xpw n PRO 27 Cb 0.51 -1.80 0.95 0.00 -0.02 0.00 0.00 33.50 33.14 1xpw n PRO 27 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1xpw h GLU 28 N 0.00 0.00 0.00 -0.52 4.39 -1.98 -1.58 114.58 114.89 1xpw h GLU 28 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xpw h GLU 28 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1xpw h GLU 28 CO 0.00 0.03 0.00 0.09 -1.16 0.00 0.00 179.01 177.97 1xpw n ASN 29 N -3.33 0.33 0.24 1.42 3.02 -0.35 -2.44 115.26 114.16 1xpw n ASN 29 Ca -0.02 0.55 0.12 0.00 -0.03 0.00 0.00 54.58 55.20 1xpw n ASN 29 Cb 0.16 -0.63 0.55 0.00 -0.61 0.00 0.00 39.78 39.25 1xpw n ASN 29 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1xpw h ILE 30 N 0.00 0.46 0.00 2.41 2.04 -1.38 -3.41 117.51 117.63 1xpw h ILE 30 Ca 0.00 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 64.94 1xpw h ILE 30 Cb 0.49 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 1xpw h ILE 30 CO 0.00 0.17 0.00 2.30 0.00 0.00 0.00 178.15 180.62 1xpw n ILE 31 N -3.37 0.00 0.00 -0.67 -5.35 -1.02 -2.99 119.36 105.95 1xpw n ILE 31 Ca -0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1xpw n ILE 31 Cb 0.38 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.28 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 -1.10 -4.34 116.55 120.42 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 2.35 3.79 0.27 0.00 -1.26 -4.88 105.19 105.46 1xpw n GLY 33 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.50 7.27 0.00 1.61 0.01 -1.26 -4.96 114.94 117.11 1xpw s ASN 34 Ca 0.00 1.60 0.11 0.00 -0.71 0.00 0.00 52.86 53.86 1xpw s ASN 34 Cb 0.00 -2.49 0.41 0.00 0.41 0.00 0.00 41.25 39.58 1xpw s ASN 34 CO 0.00 0.10 1.30 -0.81 -1.51 0.00 0.00 177.10 176.18 1xpw n PRO 35 N 1.10 1.46 -0.03 -0.60 -0.04 -1.26 -4.34 135.00 131.28 1xpw n PRO 35 Ca -0.03 -0.70 -0.02 0.00 -0.04 0.00 0.00 63.50 62.70 1xpw n PRO 35 Cb 0.50 -1.22 -0.01 0.00 -0.04 0.00 0.00 33.50 32.73 1xpw n PRO 35 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1xpw n GLU 36 N 0.02 0.22 -3.42 0.54 2.13 -1.26 -4.97 120.64 113.90 1xpw n GLU 36 Ca 0.09 0.38 -0.35 0.00 0.66 0.00 0.00 57.16 57.94 1xpw n GLU 36 Cb 0.19 -1.20 -0.06 0.00 0.27 0.00 0.00 31.44 30.64 1xpw n GLU 36 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1xpw s THR 37 N -1.61 4.93 0.32 6.31 2.01 -1.26 -5.08 115.64 121.26 1xpw s THR 37 Ca -0.07 0.68 0.06 0.00 0.31 0.00 0.00 61.69 62.67 1xpw s THR 37 Cb 0.01 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 1xpw s THR 37 CO 0.11 0.22 0.24 0.72 -0.69 0.00 0.00 174.62 175.21 1xpw s PHE 38 N -1.49 1.68 -0.10 4.92 -0.71 -1.26 -4.85 117.98 116.17 1xpw s PHE 38 Ca 0.38 -1.57 -0.00 0.00 -1.04 0.00 0.00 56.93 54.69 1xpw s PHE 38 Cb -0.14 -0.75 -0.03 0.00 -1.21 0.00 0.00 43.02 40.89 1xpw s PHE 38 CO 0.19 -0.76 -0.07 -0.46 -1.34 0.00 0.00 175.22 172.79 1xpw s TRP 39 N -3.52 2.94 0.02 3.49 -0.00 -0.80 -4.73 118.94 116.34 1xpw s TRP 39 Ca 0.38 -0.14 0.01 0.00 -0.00 0.00 0.00 56.10 56.36 1xpw s TRP 39 Cb 0.03 -1.79 -0.01 0.00 -0.00 0.00 0.00 33.47 31.70 1xpw s TRP 39 CO 0.24 0.17 -0.05 -0.08 -0.00 0.00 0.00 176.95 177.23 1xpw s THR 40 N -0.37 0.36 0.01 5.86 -1.32 -1.26 -1.17 115.64 117.75 1xpw s THR 40 Ca 0.05 -0.62 -0.21 0.00 -1.21 0.00 0.00 61.69 59.71 1xpw s THR 40 Cb -0.12 -0.39 -0.06 0.00 -1.51 0.00 0.00 72.50 70.42 1xpw s THR 40 CO 0.02 -0.18 0.60 -0.89 -2.21 0.00 0.00 174.62 171.96 1xpw s THR 41 N -0.79 4.86 -0.05 5.08 2.01 0.70 -4.90 115.64 122.55 1xpw s THR 41 Ca -0.06 1.27 -0.00 0.00 0.31 0.00 0.00 61.69 63.21 1xpw s THR 41 Cb -0.06 -3.94 0.04 0.00 0.01 0.00 0.00 72.50 68.55 1xpw s THR 41 CO -0.00 0.44 1.93 0.35 -0.69 0.00 0.00 174.62 176.65 1xpw n THR 42 N 2.53 2.06 -0.86 -0.82 -2.24 -1.26 -4.03 114.28 109.65 1xpw n THR 42 Ca -0.07 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 1xpw n THR 42 Cb 0.51 -1.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.30 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 1.23 0.56 3.52 3.38 0.00 -1.26 -4.98 105.19 107.64 1xpw n GLY 43 Ca 0.05 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1xpw n GLY 43 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1xpw s MET 44 N -0.29 3.67 -0.14 1.61 0.00 -1.26 -4.98 119.30 117.91 1xpw s MET 44 Ca 0.00 -1.54 -0.04 0.00 0.00 0.00 0.00 55.69 54.11 1xpw s MET 44 Cb 0.00 -5.21 -0.03 0.00 0.00 0.00 0.00 34.83 29.59 1xpw s MET 44 CO 0.00 -2.04 0.01 -0.06 0.00 0.00 0.00 175.02 172.93 1xpw s PHE 45 N 3.87 3.15 0.37 4.11 0.40 -1.26 -2.87 117.98 125.76 1xpw s PHE 45 Ca 0.42 -0.00 -0.12 0.00 -0.60 0.00 0.00 56.93 56.63 1xpw s PHE 45 Cb -0.01 -1.93 -0.07 0.00 0.51 0.00 0.00 43.02 41.51 1xpw s PHE 45 CO -0.07 0.21 0.75 -1.25 0.70 0.00 0.00 175.22 175.56 1xpw s PRO 46 N -0.11 3.84 -0.10 0.24 0.05 -1.26 -5.12 135.00 132.54 1xpw s PRO 46 Ca 0.04 0.51 -0.02 0.00 0.05 0.00 0.00 61.00 61.58 1xpw s PRO 46 Cb -0.13 -2.42 -0.03 0.00 0.05 0.00 0.00 34.50 31.97 1xpw s PRO 46 CO 0.02 0.04 -0.00 1.14 0.05 0.00 0.00 177.00 178.25 1xpw s GLN 47 N -3.55 3.12 -0.06 4.56 0.00 -1.10 -4.99 119.66 117.64 1xpw s GLN 47 Ca 0.52 -0.42 0.02 0.00 -0.00 0.00 0.00 55.36 55.48 1xpw s GLN 47 Cb -0.10 -2.83 0.01 0.00 0.00 0.00 0.00 33.01 30.09 1xpw s GLN 47 CO 0.27 0.62 -0.11 -1.83 0.00 0.00 0.00 175.29 174.24 1xpw s GLU 48 N -0.66 1.57 -0.03 9.60 -1.05 -1.26 -1.47 118.70 125.40 1xpw s GLU 48 Ca 0.11 -0.36 -0.07 0.00 -0.15 0.00 0.00 54.97 54.50 1xpw s GLU 48 Cb -0.12 -1.33 0.01 0.00 -0.44 0.00 0.00 34.13 32.25 1xpw s GLU 48 CO 0.02 0.00 0.15 -0.59 0.95 0.00 0.00 175.26 175.79 1xpw s PHE 49 N 0.74 -0.05 -0.05 4.83 -0.71 -0.67 -2.08 117.98 119.98 1xpw s PHE 49 Ca -0.13 0.12 0.07 0.00 -1.04 0.00 0.00 56.93 55.94 1xpw s PHE 49 Cb -0.15 -0.00 -0.01 0.00 -1.21 0.00 0.00 43.02 41.64 1xpw s PHE 49 CO 0.03 -0.20 -0.25 0.42 -1.34 0.00 0.00 175.22 173.88 1xpw s ILE 50 N -0.74 2.11 -0.18 -4.49 1.01 -1.00 -0.67 121.20 117.23 1xpw s ILE 50 Ca -0.08 -1.06 -0.01 0.00 0.00 0.00 0.00 60.65 59.49 1xpw s ILE 50 Cb -0.05 -1.75 0.00 0.00 0.01 0.00 0.00 42.46 40.67 1xpw s ILE 50 CO 0.01 0.57 -0.12 -0.63 0.00 0.00 0.00 174.94 174.77 1xpw s ILE 51 N -0.34 2.77 -0.22 2.92 1.01 0.45 -0.39 121.20 127.40 1xpw s ILE 51 Ca 0.02 -0.71 -0.10 0.00 0.00 0.00 0.00 60.65 59.85 1xpw s ILE 51 Cb -0.12 -2.21 -0.05 0.00 0.01 0.00 0.00 42.46 40.09 1xpw s ILE 51 CO 0.02 0.49 0.15 0.00 0.00 0.00 0.00 174.94 175.60 1xpw h PHE 53 N 7.20 0.00 -0.22 0.00 0.04 -1.49 -1.53 116.94 120.94 1xpw h PHE 53 Ca -0.39 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.28 1xpw h PHE 53 Cb 1.16 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.27 1xpw h PHE 53 CO 0.64 0.13 -0.09 1.58 -0.60 0.00 0.00 178.31 179.97 1xpw n HIS 54 N -3.71 0.00 -3.54 -0.55 -0.00 -1.26 -4.23 115.22 101.93 1xpw n HIS 54 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.67 1xpw n HIS 54 Cb 0.24 -1.52 0.01 0.00 -0.00 0.00 0.00 29.99 28.72 1xpw n HIS 54 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 1xpw n LYS 55 N -1.55 0.50 -3.38 1.57 2.85 -1.26 -4.91 118.16 111.98 1xpw n LYS 55 Ca -0.05 -1.03 -0.40 0.00 -1.05 0.00 0.00 58.31 55.78 1xpw n LYS 55 Cb 0.32 1.32 -0.09 0.00 -0.65 0.00 0.00 35.03 35.93 1xpw n LYS 55 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1xpw s HIS 56 N -4.71 3.21 0.23 5.58 3.76 -0.45 -4.82 115.29 118.10 1xpw s HIS 56 Ca 0.10 0.13 0.03 0.00 -0.15 0.00 0.00 55.06 55.16 1xpw s HIS 56 Cb -0.02 -2.67 -0.05 0.00 1.11 0.00 0.00 32.58 30.94 1xpw s HIS 56 CO 0.05 -0.39 0.03 0.14 -0.85 0.00 0.00 174.74 173.72 1xpw s VAL 57 N 2.08 0.83 -0.10 -0.90 -7.23 -1.26 -0.30 120.40 113.52 1xpw s VAL 57 Ca 0.14 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.31 1xpw s VAL 57 Cb -0.16 -2.38 0.02 0.00 0.56 0.00 0.00 36.38 34.41 1xpw s VAL 57 CO 0.11 -0.27 -0.12 -0.13 -0.31 0.00 0.00 175.10 174.39 1xpw s ARG 58 N -3.92 1.87 0.07 4.82 0.52 0.43 -4.04 118.95 118.70 1xpw s ARG 58 Ca 0.30 -0.42 -0.19 0.00 -0.52 0.00 0.00 55.73 54.90 1xpw s ARG 58 Cb 0.06 -1.68 -0.07 0.00 0.52 0.00 0.00 34.95 33.79 1xpw s ARG 58 CO 0.09 -0.12 0.55 0.42 0.02 0.00 0.00 175.30 176.26 1xpw s ILE 59 N 1.18 4.77 -0.00 1.52 1.01 0.06 -1.26 121.20 128.47 1xpw s ILE 59 Ca -0.04 1.17 0.00 0.00 0.00 0.00 0.00 60.65 61.78 1xpw s ILE 59 Cb -0.14 -3.87 -0.00 0.00 0.01 0.00 0.00 42.46 38.45 1xpw s ILE 59 CO -0.03 0.55 -0.00 1.21 0.00 0.00 0.00 174.94 176.67 1xpw n GLU 60 N 1.71 0.72 -4.14 2.79 4.07 0.30 -0.98 120.64 125.10 1xpw n GLU 60 Ca -0.11 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 56.88 1xpw n GLU 60 Cb 0.51 -1.00 -0.08 0.00 -0.06 0.00 0.00 31.44 30.81 1xpw n GLU 60 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1xpw s ARG 61 N -2.00 1.38 -0.04 5.31 0.52 -1.08 -2.75 118.95 120.29 1xpw s ARG 61 Ca -0.00 -1.54 0.03 0.00 -0.52 0.00 0.00 55.73 53.69 1xpw s ARG 61 Cb 0.00 0.34 0.01 0.00 0.52 0.00 0.00 34.95 35.82 1xpw s ARG 61 CO 0.00 -0.50 -0.11 -0.51 0.02 0.00 0.00 175.30 174.20 1xpw s LEU 62 N -3.13 1.75 -0.29 2.53 1.43 0.46 -0.43 118.68 120.99 1xpw s LEU 62 Ca 0.34 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.22 1xpw s LEU 62 Cb 0.04 -0.69 0.08 0.00 0.03 0.00 0.00 46.19 45.66 1xpw s LEU 62 CO 0.12 0.07 -0.00 -0.69 0.23 0.00 0.00 176.35 176.08 1xpw s VAL 63 N 0.31 1.88 -0.05 -1.59 1.01 0.50 -1.31 120.40 121.15 1xpw s VAL 63 Ca -0.06 -1.79 0.06 0.00 0.00 0.00 0.00 61.98 60.19 1xpw s VAL 63 Cb -0.11 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 1xpw s VAL 63 CO 0.01 -0.36 -0.24 -0.63 0.00 0.00 0.00 175.10 173.88 1xpw s ILE 64 N 1.16 2.15 -0.36 2.22 1.01 -0.96 -1.01 121.20 125.41 1xpw s ILE 64 Ca 0.02 -1.04 -0.01 0.00 0.00 0.00 0.00 60.65 59.62 1xpw s ILE 64 Cb -0.19 -1.78 0.09 0.00 0.01 0.00 0.00 42.46 40.59 1xpw s ILE 64 CO -0.09 0.57 0.11 -1.10 0.00 0.00 0.00 174.94 174.43 1xpw s GLN 65 N -0.24 2.02 0.24 2.79 -0.21 -0.34 -0.39 119.66 123.53 1xpw s GLN 65 Ca -0.01 -1.67 0.03 0.00 0.02 0.00 0.00 55.36 53.72 1xpw s GLN 65 Cb -0.13 -3.39 -0.05 0.00 1.00 0.00 0.00 33.01 30.44 1xpw s GLN 65 CO 0.03 -0.92 0.02 -1.12 -2.12 0.00 0.00 175.29 171.18 1xpw s SER 66 N 1.48 1.70 -0.01 5.90 0.01 -1.26 -0.37 113.70 121.14 1xpw s SER 66 Ca 0.05 -1.25 0.07 0.00 1.31 0.00 0.00 55.95 56.13 1xpw s SER 66 Cb -0.21 0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.04 1xpw s SER 66 CO -0.04 -0.56 -0.23 -0.31 0.41 0.00 0.00 173.24 172.51 1xpw s TYR 67 N -3.49 2.07 0.00 2.43 2.02 0.41 -4.58 117.35 116.21 1xpw s TYR 67 Ca 0.30 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.61 1xpw s TYR 67 Cb 0.06 -1.32 0.00 0.00 -0.40 0.00 0.00 41.96 40.30 1xpw s TYR 67 CO 0.09 -0.02 0.00 1.19 -1.57 0.00 0.00 175.55 175.24 1xpw n PHE 68 N 2.44 0.00 -2.95 2.71 3.72 -1.26 -3.71 117.46 118.41 1xpw n PHE 68 Ca -0.16 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.23 1xpw n PHE 68 Cb 0.52 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.05 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 -6.16 -0.05 -4.37 0.31 -1.26 -4.56 118.33 102.23 1xpw n VAL 69 Ca 0.00 1.11 -0.19 0.00 -0.01 0.00 0.00 64.34 65.25 1xpw n VAL 69 Cb 0.00 -4.50 -0.13 0.00 -0.91 0.00 0.00 33.84 28.31 1xpw n VAL 69 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1xpw h GLN 70 N 3.84 0.09 -3.85 5.55 4.15 -1.44 -2.73 115.11 120.72 1xpw h GLN 70 Ca -0.09 -0.15 -0.57 0.00 0.77 0.00 0.00 58.65 58.61 1xpw h GLN 70 Cb 0.57 0.06 -0.39 0.00 0.21 0.00 0.00 27.48 27.92 1xpw h GLN 70 CO 0.03 1.07 -0.76 0.99 -1.93 0.00 0.00 178.83 178.23 1xpw s THR 71 N -2.36 1.04 -0.34 2.39 2.01 -0.89 -4.19 115.64 113.30 1xpw s THR 71 Ca -0.22 -1.15 -0.07 0.00 0.31 0.00 0.00 61.69 60.56 1xpw s THR 71 Cb 0.03 -1.57 0.04 0.00 0.01 0.00 0.00 72.50 71.01 1xpw s THR 71 CO 0.69 -0.37 0.11 -0.22 -0.69 0.00 0.00 174.62 174.14 1xpw s LEU 72 N 1.59 4.37 -0.49 4.42 2.96 -0.38 -1.07 118.68 130.08 1xpw s LEU 72 Ca 0.02 -1.16 -0.22 0.00 -0.22 0.00 0.00 54.13 52.55 1xpw s LEU 72 Cb -0.18 -1.88 0.04 0.00 0.50 0.00 0.00 46.19 44.67 1xpw s LEU 72 CO -0.13 -0.34 0.76 -0.75 -1.32 0.00 0.00 176.35 174.57 1xpw s LYS 73 N 1.41 3.30 -0.61 1.98 2.20 0.43 -0.41 119.74 128.03 1xpw s LYS 73 Ca -0.01 -0.37 -0.20 0.00 -0.36 0.00 0.00 55.97 55.02 1xpw s LYS 73 Cb -0.20 -4.00 0.09 0.00 -1.51 0.00 0.00 37.83 32.21 1xpw s LYS 73 CO 0.03 -1.21 0.79 0.42 -0.36 0.00 0.00 175.35 175.01 1xpw s ILE 74 N 3.21 4.66 -0.08 5.43 1.01 -0.86 -0.92 121.20 133.65 1xpw s ILE 74 Ca 0.25 -0.76 -0.12 0.00 0.00 0.00 0.00 60.65 60.02 1xpw s ILE 74 Cb -0.14 -4.54 -0.05 0.00 0.01 0.00 0.00 42.46 37.74 1xpw s ILE 74 CO 0.19 -1.22 0.30 -0.70 0.00 0.00 0.00 174.94 173.51 1xpw s GLU 75 N 3.13 3.89 -0.12 2.79 2.12 0.20 -1.54 118.70 129.17 1xpw s GLU 75 Ca 0.15 0.17 -0.04 0.00 0.36 0.00 0.00 54.97 55.61 1xpw s GLU 75 Cb -0.22 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 30.87 1xpw s GLU 75 CO 0.08 0.57 0.01 0.21 -0.54 0.00 0.00 175.26 175.59 1xpw s LYS 76 N -0.58 3.36 -0.07 4.30 2.20 0.38 -0.84 119.74 128.48 1xpw s LYS 76 Ca 0.19 -0.41 0.01 0.00 -0.36 0.00 0.00 55.97 55.40 1xpw s LYS 76 Cb -0.14 -2.92 0.02 0.00 -1.51 0.00 0.00 37.83 33.28 1xpw s LYS 76 CO 0.08 0.51 -0.07 -1.12 -0.36 0.00 0.00 175.35 174.38 1xpw s SER 77 N -0.34 1.58 -0.11 1.43 0.01 -0.57 -2.38 113.70 113.32 1xpw s SER 77 Ca 0.07 -0.22 0.16 0.00 1.31 0.00 0.00 55.95 57.26 1xpw s SER 77 Cb -0.12 -0.67 0.24 0.00 0.21 0.00 0.00 66.02 65.68 1xpw s SER 77 CO 0.02 -0.05 1.12 0.41 0.41 0.00 0.00 173.24 175.15 1xpw n THR 78 N 4.27 1.71 -2.11 1.44 -1.04 -1.26 -0.54 114.28 116.75 1xpw n THR 78 Ca -0.20 -2.02 -0.28 0.00 -2.04 0.00 0.00 64.05 59.51 1xpw n THR 78 Cb 0.51 -0.12 0.18 0.00 -1.82 0.00 0.00 70.33 69.08 1xpw n THR 78 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1xpw s SER 79 N -2.57 3.21 0.35 8.00 0.15 -1.26 -4.75 113.70 116.83 1xpw s SER 79 Ca 0.27 0.01 0.19 0.00 0.70 0.00 0.00 55.95 57.12 1xpw s SER 79 Cb 0.23 -0.06 0.42 0.00 -1.71 0.00 0.00 66.02 64.90 1xpw s SER 79 CO 0.03 -2.65 1.61 0.07 1.20 0.00 0.00 173.24 173.49 1xpw h LYS 80 N -1.46 0.00 -5.62 5.44 2.10 -1.97 -3.45 116.57 111.62 1xpw h LYS 80 Ca -0.42 0.00 -0.63 0.00 -2.00 0.00 0.00 60.65 57.60 1xpw h LYS 80 Cb 1.23 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 32.43 1xpw h LYS 80 CO 0.34 0.38 -0.57 -1.21 -2.00 0.00 0.00 179.45 176.39 1xpw s GLU 81 N -3.27 2.03 0.00 0.07 2.02 -1.26 -5.00 118.70 113.29 1xpw s GLU 81 Ca 0.03 -2.13 -0.02 0.00 0.02 0.00 0.00 54.97 52.87 1xpw s GLU 81 Cb 0.09 -1.67 -0.07 0.00 0.10 0.00 0.00 34.13 32.58 1xpw s GLU 81 CO 0.70 -0.11 1.60 -2.30 0.02 0.00 0.00 175.26 175.17 1xpw n PRO 82 N -1.05 0.78 -2.85 0.39 -0.02 -1.26 -4.75 135.00 126.24 1xpw n PRO 82 Ca -0.07 -0.27 -0.10 0.00 -2.02 0.00 0.00 63.50 61.04 1xpw n PRO 82 Cb 0.67 -1.52 -0.02 0.00 -0.02 0.00 0.00 33.50 32.61 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 2.28 0.00 -2.34 -1.45 0.24 -1.26 -5.00 118.33 110.80 1xpw n VAL 83 Ca 0.12 -0.81 -0.01 0.00 -2.04 0.00 0.00 64.34 61.60 1xpw n VAL 83 Cb 0.37 0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 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 -1.58 -6.12 -4.30 -1.34 2.03 -1.26 -4.26 116.55 99.72 1xpw n ASP 84 Ca -0.04 0.91 -0.37 0.00 0.52 0.00 0.00 54.79 55.81 1xpw n ASP 84 Cb 0.21 -3.97 -0.12 0.00 -0.72 0.00 0.00 41.12 36.51 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 -1.23 3.20 0.01 -0.67 0.08 -1.26 -4.04 117.98 114.07 1xpw s PHE 85 Ca 0.02 -1.23 0.08 0.00 0.12 0.00 0.00 56.93 55.93 1xpw s PHE 85 Cb -0.01 -2.26 -0.02 0.00 -0.57 0.00 0.00 43.02 40.16 1xpw s PHE 85 CO 0.54 -0.66 -0.26 -1.83 -0.10 0.00 0.00 175.22 172.91 1xpw s GLU 86 N 1.45 1.99 -0.67 0.44 -1.05 -1.00 -4.97 118.70 114.88 1xpw s GLU 86 Ca 0.00 -1.00 -0.27 0.00 -0.15 0.00 0.00 54.97 53.55 1xpw s GLU 86 Cb -0.18 -2.03 0.02 0.00 -0.44 0.00 0.00 34.13 31.50 1xpw s GLU 86 CO 0.02 0.54 1.42 1.14 0.95 0.00 0.00 175.26 179.33 1xpw s GLN 87 N -0.89 3.12 -0.06 -4.83 -2.07 -1.26 -0.47 119.66 113.19 1xpw s GLN 87 Ca 0.11 0.08 -0.08 0.00 -1.82 0.00 0.00 55.36 53.65 1xpw s GLN 87 Cb -0.10 -4.20 -0.05 0.00 -1.09 0.00 0.00 33.01 27.57 1xpw s GLN 87 CO 0.00 -2.20 0.36 2.35 -1.32 0.00 0.00 175.29 174.48 1xpw h TRP 88 N 11.17 -0.27 -2.03 9.60 7.01 -1.62 -3.46 115.95 136.35 1xpw h TRP 88 Ca -0.27 -0.01 -0.25 0.00 2.11 0.00 0.00 58.89 60.47 1xpw h TRP 88 Cb 1.08 0.09 -0.32 0.00 -2.10 0.00 0.00 29.16 27.92 1xpw h TRP 88 CO 1.09 -0.17 -0.57 0.96 -2.79 0.00 0.00 178.44 176.96 1xpw s ILE 89 N -2.50 -0.50 -0.79 2.65 -4.36 -0.96 -5.04 121.20 109.70 1xpw s ILE 89 Ca -0.04 -0.29 -0.24 0.00 -0.26 0.00 0.00 60.65 59.82 1xpw s ILE 89 Cb 0.00 -0.90 0.05 0.00 1.25 0.00 0.00 42.46 42.87 1xpw s ILE 89 CO 0.13 -0.30 1.22 -1.83 0.24 0.00 0.00 174.94 174.39 1xpw s GLU 90 N 2.45 3.29 0.51 0.37 1.03 -1.26 -2.04 118.70 123.04 1xpw s GLU 90 Ca 0.10 -0.72 0.09 0.00 0.03 0.00 0.00 54.97 54.47 1xpw s GLU 90 Cb -0.14 -4.50 0.05 0.00 -0.80 0.00 0.00 34.13 28.74 1xpw s GLU 90 CO -0.25 -2.04 0.68 0.15 -1.33 0.00 0.00 175.26 172.47 1xpw s LYS 91 N 4.86 2.51 -0.04 -4.83 -0.14 0.45 -4.90 119.74 117.65 1xpw s LYS 91 Ca 0.34 -1.50 -0.02 0.00 -1.36 0.00 0.00 55.97 53.43 1xpw s LYS 91 Cb -0.08 -2.66 0.03 0.00 -1.68 0.00 0.00 37.83 33.44 1xpw s LYS 91 CO 0.06 -0.61 0.06 0.16 -0.76 0.00 0.00 175.35 174.27 1xpw s ASP 92 N -4.51 0.86 -0.51 2.83 -4.77 -1.26 -1.25 116.67 108.05 1xpw s ASP 92 Ca 0.58 0.09 -0.21 0.00 -3.30 0.00 0.00 52.55 49.70 1xpw s ASP 92 Cb -0.07 -0.10 0.05 0.00 -1.09 0.00 0.00 42.92 41.71 1xpw s ASP 92 CO 0.36 -0.22 0.73 -0.22 0.70 0.00 0.00 175.17 176.52 1xpw s LEU 93 N 1.91 4.62 -0.77 2.11 2.96 -1.03 -4.99 118.68 123.48 1xpw s LEU 93 Ca 0.01 -0.64 -0.26 0.00 -0.22 0.00 0.00 54.13 53.03 1xpw s LEU 93 Cb -0.12 -2.62 0.04 0.00 0.50 0.00 0.00 46.19 43.99 1xpw s LEU 93 CO -0.03 -0.98 1.25 -0.69 -1.32 0.00 0.00 176.35 174.58 1xpw s VAL 94 N 3.09 3.86 -0.09 1.68 1.01 -1.26 -4.68 120.40 124.00 1xpw s VAL 94 Ca 0.21 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.99 1xpw s VAL 94 Cb -0.16 -4.90 -0.04 0.00 0.00 0.00 0.00 36.38 31.28 1xpw s VAL 94 CO 0.15 -1.81 1.45 -2.28 0.00 0.00 0.00 175.10 172.62 1xpw s HIS 95 N 5.32 2.49 0.24 5.22 2.46 -1.26 -4.86 115.29 124.90 1xpw s HIS 95 Ca 0.35 0.63 -0.30 0.00 0.47 0.00 0.00 55.06 56.21 1xpw s HIS 95 Cb -0.08 -3.71 -0.09 0.00 -0.13 0.00 0.00 32.58 28.57 1xpw s HIS 95 CO 0.10 -2.74 1.22 0.95 -2.47 0.00 0.00 174.74 171.80 1xpw s THR 96 N 3.49 3.32 -0.12 0.89 -4.23 -1.26 -4.95 115.64 112.79 1xpw s THR 96 Ca 0.64 1.18 -0.29 0.00 -1.18 0.00 0.00 61.69 62.05 1xpw s THR 96 Cb -0.28 -3.76 -0.05 0.00 1.34 0.00 0.00 72.50 69.75 1xpw s THR 96 CO 0.23 0.23 1.84 -1.83 -0.54 0.00 0.00 174.62 174.55 1xpw s GLU 97 N -0.77 3.83 -1.47 3.99 -1.05 -1.26 -1.88 118.70 120.09 1xpw s GLU 97 Ca 0.51 2.10 0.00 0.00 -0.15 0.00 0.00 54.97 57.43 1xpw s GLU 97 Cb -0.35 -4.13 0.00 0.00 -0.44 0.00 0.00 34.13 29.21 1xpw s GLU 97 CO 0.41 -1.28 0.00 0.41 0.95 0.00 0.00 175.26 175.75 1xpw n GLY 98 N 4.75 0.82 2.96 -3.83 0.00 -1.26 -4.98 105.19 103.65 1xpw n GLY 98 Ca 0.21 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 1xpw n GLY 98 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xpw s GLN 99 N -3.87 0.24 -0.34 1.61 0.74 -0.79 -5.12 119.66 112.13 1xpw s GLN 99 Ca 0.00 -0.40 -0.26 0.00 0.05 0.00 0.00 55.36 54.75 1xpw s GLN 99 Cb 0.00 0.09 0.01 0.00 1.10 0.00 0.00 33.01 34.21 1xpw s GLN 99 CO 0.00 -0.04 0.92 -1.17 -0.55 0.00 0.00 175.29 174.45 1xpw s LEU 100 N -1.01 4.01 -0.61 3.68 0.20 -1.26 -4.09 118.68 119.60 1xpw s LEU 100 Ca -0.11 0.68 -0.23 0.00 0.69 0.00 0.00 54.13 55.16 1xpw s LEU 100 Cb -0.07 -3.26 0.06 0.00 -0.43 0.00 0.00 46.19 42.49 1xpw s LEU 100 CO -0.00 -0.80 0.93 -1.58 -0.29 0.00 0.00 176.35 174.61 1xpw s GLN 101 N 3.37 3.20 0.13 1.98 2.00 -1.26 -4.95 119.66 124.12 1xpw s GLN 101 Ca 0.38 -0.61 -0.31 0.00 -2.00 0.00 0.00 55.36 52.82 1xpw s GLN 101 Cb -0.13 -4.15 -0.08 0.00 0.80 0.00 0.00 33.01 29.45 1xpw s GLN 101 CO 0.16 -1.65 1.41 -0.80 -0.50 0.00 0.00 175.29 173.92 1xpw s ASN 102 N 3.28 6.79 -0.80 6.67 -0.87 -1.26 -4.45 114.94 124.30 1xpw s ASN 102 Ca 0.25 2.38 -0.19 0.00 -1.57 0.00 0.00 52.86 53.73 1xpw s ASN 102 Cb -0.15 -2.59 0.13 0.00 -0.02 0.00 0.00 41.25 38.62 1xpw s ASN 102 CO 0.14 -0.67 0.95 -0.70 -2.57 0.00 0.00 177.10 174.25 1xpw s GLU 103 N 1.00 3.41 -0.50 -0.60 2.12 0.48 -4.95 118.70 119.66 1xpw s GLU 103 Ca 0.65 -1.66 -0.27 0.00 0.36 0.00 0.00 54.97 54.05 1xpw s GLU 103 Cb -0.38 -4.60 0.03 0.00 0.26 0.00 0.00 34.13 29.44 1xpw s GLU 103 CO 0.31 -1.65 1.06 -1.21 -0.54 0.00 0.00 175.26 173.23 1xpw s GLU 104 N 2.46 3.58 -0.05 4.30 0.41 -1.26 -2.25 118.70 125.88 1xpw s GLU 104 Ca 0.24 0.29 0.06 0.00 -0.41 0.00 0.00 54.97 55.15 1xpw s GLU 104 Cb -0.12 -3.95 -0.01 0.00 -1.78 0.00 0.00 34.13 28.28 1xpw s GLU 104 CO -0.03 -1.39 -0.23 0.42 -0.49 0.00 0.00 175.26 173.53 1xpw s ILE 105 N 4.26 1.88 -0.80 -1.63 1.01 -0.43 -5.01 121.20 120.49 1xpw s ILE 105 Ca 0.42 -0.98 -0.11 0.00 0.00 0.00 0.00 60.65 59.98 1xpw s ILE 105 Cb -0.09 -1.59 0.21 0.00 0.01 0.00 0.00 42.46 41.00 1xpw s ILE 105 CO 0.28 0.53 0.71 -0.69 0.00 0.00 0.00 174.94 175.77 1xpw s VAL 106 N -0.16 5.19 -0.21 2.92 1.01 -1.26 -0.40 120.40 127.48 1xpw s VAL 106 Ca -0.02 -2.67 -0.00 0.00 0.00 0.00 0.00 61.98 59.29 1xpw s VAL 106 Cb -0.13 -4.23 0.05 0.00 0.00 0.00 0.00 36.38 32.08 1xpw s VAL 106 CO 0.03 -1.01 -0.05 0.00 0.00 0.00 0.00 175.10 174.08 1xpw s ALA 107 N -0.00 1.72 -0.22 5.51 0.00 -1.11 -4.96 121.76 122.70 1xpw s ALA 107 Ca 0.19 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 51.03 1xpw s ALA 107 Cb -0.12 -1.31 0.04 0.00 0.00 0.00 0.00 23.12 21.73 1xpw s ALA 107 CO -0.08 -1.06 -0.14 -3.38 0.00 0.00 0.00 175.76 171.10 1xpw s HIS 108 N 1.51 2.87 0.13 0.00 -3.43 -1.23 -3.01 115.29 112.13 1xpw s HIS 108 Ca -0.03 -1.90 -0.26 0.00 -0.80 0.00 0.00 55.06 52.07 1xpw s HIS 108 Cb -0.18 -1.84 0.07 0.00 -1.43 0.00 0.00 32.58 29.20 1xpw s HIS 108 CO -0.07 -0.82 0.97 0.20 -2.00 0.00 0.00 174.74 173.02 1xpw s GLY 109 N 1.25 -0.26 -0.15 -1.38 0.00 -0.15 -4.94 107.32 101.68 1xpw s GLY 109 Ca -0.02 0.23 -0.16 0.00 0.00 0.00 0.00 44.72 44.77 1xpw s GLY 109 CO -0.08 0.04 0.37 -0.56 0.00 0.00 0.00 173.10 172.87 1xpw s SER 110 N -2.91 6.54 0.00 1.64 0.01 -1.26 -0.76 113.70 116.95 1xpw s SER 110 Ca 0.12 0.63 -0.17 0.00 1.31 0.00 0.00 55.95 57.84 1xpw s SER 110 Cb -0.01 -2.23 0.03 0.00 0.21 0.00 0.00 66.02 64.02 1xpw s SER 110 CO 0.01 0.05 0.37 0.00 0.41 0.00 0.00 173.24 174.07 1xpw s ALA 111 N 0.60 -0.91 -0.13 1.44 0.00 -1.26 -4.78 121.76 116.71 1xpw s ALA 111 Ca 0.20 0.38 0.05 0.00 0.00 0.00 0.00 51.96 52.59 1xpw s ALA 111 Cb -0.14 0.15 -0.12 0.00 0.00 0.00 0.00 23.12 23.02 1xpw s ALA 111 CO 0.07 -0.33 -0.06 0.25 0.00 0.00 0.00 175.76 175.69 1xpw n THR 112 N 0.99 0.83 -4.98 0.00 -2.24 -0.27 -4.40 114.28 104.21 1xpw n THR 112 Ca -0.20 -0.40 -0.27 0.00 -2.27 0.00 0.00 64.05 60.90 1xpw n THR 112 Cb 0.57 -0.88 -0.16 0.00 -2.10 0.00 0.00 70.33 67.76 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 -2.29 1.88 -0.24 4.78 1.51 0.29 -1.35 117.35 121.93 1xpw s TYR 113 Ca -0.14 -0.46 -0.02 0.00 -1.01 0.00 0.00 57.07 55.44 1xpw s TYR 113 Cb 0.04 -1.23 0.02 0.00 -0.11 0.00 0.00 41.96 40.68 1xpw s TYR 113 CO 0.40 -0.11 -0.06 -0.51 -1.11 0.00 0.00 175.55 174.16 1xpw s LEU 114 N -0.24 3.03 -0.43 -1.29 1.43 0.19 -1.51 118.68 119.86 1xpw s LEU 114 Ca 0.02 -0.71 -0.09 0.00 -1.03 0.00 0.00 54.13 52.32 1xpw s LEU 114 Cb -0.10 -1.68 0.09 0.00 0.03 0.00 0.00 46.19 44.53 1xpw s LEU 114 CO 0.01 -0.09 0.28 -0.60 0.23 0.00 0.00 176.35 176.18 1xpw s ARG 115 N 1.37 2.57 -0.30 1.70 3.52 -0.02 -0.41 118.95 127.37 1xpw s ARG 115 Ca 0.02 -1.53 -0.19 0.00 -0.13 0.00 0.00 55.73 53.90 1xpw s ARG 115 Cb -0.16 -3.81 -0.01 0.00 -1.56 0.00 0.00 34.95 29.41 1xpw s ARG 115 CO -0.05 -1.01 0.57 -0.06 -0.81 0.00 0.00 175.30 173.94 1xpw s PHE 116 N 1.41 3.22 -0.30 5.12 0.08 0.15 -0.63 117.98 127.03 1xpw s PHE 116 Ca 0.04 0.50 0.00 0.00 0.12 0.00 0.00 56.93 57.59 1xpw s PHE 116 Cb -0.24 -2.90 0.06 0.00 -0.57 0.00 0.00 43.02 39.38 1xpw s PHE 116 CO 0.01 -0.44 -0.01 0.42 -0.10 0.00 0.00 175.22 175.10 1xpw s ILE 117 N 2.47 2.68 -0.29 0.64 1.01 -0.09 -1.67 121.20 125.95 1xpw s ILE 117 Ca 0.22 -1.62 -0.21 0.00 0.00 0.00 0.00 60.65 59.05 1xpw s ILE 117 Cb -0.15 -2.62 -0.01 0.00 0.01 0.00 0.00 42.46 39.69 1xpw s ILE 117 CO 0.11 -0.18 0.65 -0.63 0.00 0.00 0.00 174.94 174.90 1xpw s ILE 118 N 1.16 4.93 -0.10 2.92 1.01 -0.54 -0.43 121.20 130.15 1xpw s ILE 118 Ca -0.04 0.99 -0.24 0.00 0.00 0.00 0.00 60.65 61.36 1xpw s ILE 118 Cb -0.20 -4.00 -0.28 0.00 0.01 0.00 0.00 42.46 37.99 1xpw s ILE 118 CO -0.03 -0.10 0.78 0.58 0.00 0.00 0.00 174.94 176.16 1xpw h VAL 119 N 5.51 1.56 -2.98 2.92 2.07 -1.41 -2.91 116.25 121.01 1xpw h VAL 119 Ca -0.26 -2.43 0.03 0.00 0.82 0.00 0.00 66.70 64.85 1xpw h VAL 119 Cb 1.12 3.19 -0.09 0.00 -1.52 0.00 0.00 31.29 33.99 1xpw h VAL 119 CO 0.80 0.65 0.23 -0.55 0.02 0.00 0.00 177.57 178.72 1xpw s SER 120 N -6.67 -0.42 0.41 0.57 0.15 -1.25 -4.49 113.70 102.00 1xpw s SER 120 Ca -0.17 -0.28 0.04 0.00 0.70 0.00 0.00 55.95 56.24 1xpw s SER 120 Cb -0.00 0.65 -0.02 0.00 -1.71 0.00 0.00 66.02 64.94 1xpw s SER 120 CO 0.76 -1.13 0.15 0.00 1.20 0.00 0.00 173.24 174.21 1xpw s ALA 121 N -3.81 2.90 -1.55 5.45 0.00 -1.26 -1.22 121.76 122.26 1xpw s ALA 121 Ca 0.06 -1.24 0.28 0.00 0.00 0.00 0.00 51.96 51.06 1xpw s ALA 121 Cb -0.03 0.81 1.10 0.00 0.00 0.00 0.00 23.12 25.00 1xpw s ALA 121 CO -0.04 -0.37 1.79 1.19 0.00 0.00 0.00 175.76 178.33 1xpw n PHE 122 N -0.91 0.00 -4.36 0.00 3.72 -1.26 -4.69 117.46 109.96 1xpw n PHE 122 Ca -0.05 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.15 1xpw n PHE 122 Cb 0.65 -0.21 -0.09 0.00 -0.94 0.00 0.00 39.48 38.89 1xpw n PHE 122 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1xpw s ASP 123 N -2.56 1.78 0.00 4.37 2.15 -1.26 -5.03 116.67 116.12 1xpw s ASP 123 Ca 0.25 -1.62 0.28 0.00 0.43 0.00 0.00 52.55 51.90 1xpw s ASP 123 Cb 0.20 0.44 1.33 0.00 -0.30 0.00 0.00 42.92 44.59 1xpw s ASP 123 CO 0.50 -0.93 1.94 0.00 -0.17 0.00 0.00 175.17 176.52 1xpw n HIS 124 N -0.65 0.00 -4.44 -5.34 1.44 -1.26 -4.75 115.22 100.23 1xpw n HIS 124 Ca 0.01 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.48 1xpw n HIS 124 Cb 0.64 -0.38 -0.11 0.00 0.12 0.00 0.00 29.99 30.27 1xpw n HIS 124 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1xpw s PHE 125 N -2.75 2.21 -0.01 -1.40 0.08 -1.26 -4.05 117.98 110.79 1xpw s PHE 125 Ca 0.21 -0.37 0.00 0.00 0.12 0.00 0.00 56.93 56.90 1xpw s PHE 125 Cb 0.19 -1.00 0.01 0.00 -0.57 0.00 0.00 43.02 41.64 1xpw s PHE 125 CO 0.46 0.60 -0.00 0.00 -0.10 0.00 0.00 175.22 176.18 1xpw s ALA 126 N -2.30 0.19 0.01 5.36 0.00 -1.26 -4.79 121.76 118.97 1xpw s ALA 126 Ca 0.26 0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.31 1xpw s ALA 126 Cb -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 1xpw s ALA 126 CO 0.12 -0.02 -0.09 -1.12 0.00 0.00 0.00 175.76 174.65 1xpw s SER 127 N 0.47 1.04 -0.01 0.00 0.01 -1.24 -0.22 113.70 113.75 1xpw s SER 127 Ca -0.04 -0.28 0.02 0.00 1.31 0.00 0.00 55.95 56.96 1xpw s SER 127 Cb -0.07 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.09 1xpw s SER 127 CO -0.01 0.02 -0.07 0.54 0.41 0.00 0.00 173.24 174.13 1xpw s VAL 128 N -0.55 0.59 -0.07 3.43 0.11 -0.32 -0.44 120.40 123.15 1xpw s VAL 128 Ca 0.00 -0.28 -0.05 0.00 -2.93 0.00 0.00 61.98 58.72 1xpw s VAL 128 Cb -0.05 -0.52 -0.02 0.00 -1.53 0.00 0.00 36.38 34.26 1xpw s VAL 128 CO 0.00 0.18 -0.10 1.57 -3.33 0.00 0.00 175.10 173.43 1xpw n HIS 129 N 3.14 0.42 -3.75 1.54 -0.00 0.50 -1.90 115.22 115.16 1xpw n HIS 129 Ca -0.16 0.18 -0.13 0.00 0.46 0.00 0.00 57.72 58.07 1xpw n HIS 129 Cb 0.56 -0.48 -0.11 0.00 -0.12 0.00 0.00 29.99 29.84 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 -4.65 -0.36 -0.04 0.26 0.01 -1.21 -3.80 113.70 103.92 1xpw s SER 130 Ca -0.08 0.68 0.02 0.00 1.31 0.00 0.00 55.95 57.88 1xpw s SER 130 Cb 0.01 0.67 -0.03 0.00 0.21 0.00 0.00 66.02 66.88 1xpw s SER 130 CO 0.12 -0.13 -0.07 0.68 0.41 0.00 0.00 173.24 174.25 1xpw s VAL 131 N 0.34 3.66 0.01 3.43 -7.23 -1.16 -1.19 120.40 118.26 1xpw s VAL 131 Ca -0.01 -0.62 -0.07 0.00 -1.81 0.00 0.00 61.98 59.48 1xpw s VAL 131 Cb -0.03 -2.54 -0.00 0.00 0.56 0.00 0.00 36.38 34.37 1xpw s VAL 131 CO -0.01 0.51 0.12 -0.44 -0.31 0.00 0.00 175.10 174.97 1xpw s SER 132 N -1.08 0.07 -0.02 4.85 0.01 -0.18 -4.64 113.70 112.71 1xpw s SER 132 Ca 0.14 -0.29 0.05 0.00 1.31 0.00 0.00 55.95 57.16 1xpw s SER 132 Cb -0.11 0.20 -0.01 0.00 0.21 0.00 0.00 66.02 66.31 1xpw s SER 132 CO 0.04 -0.40 -0.15 0.00 0.41 0.00 0.00 173.24 173.14 1xpw s ALA 133 N -1.63 1.29 0.28 1.44 0.00 -1.26 -0.37 121.76 121.51 1xpw s ALA 133 Ca -0.13 -0.64 -0.02 0.00 0.00 0.00 0.00 51.96 51.16 1xpw s ALA 133 Cb -0.07 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1xpw s ALA 133 CO 0.00 0.30 0.51 -1.21 0.00 0.00 0.00 175.76 175.36 1xpw s GLU 134 N -0.26 3.56 0.00 0.00 2.02 0.43 0.55 118.70 124.99 1xpw s GLU 134 Ca 0.04 -0.19 0.00 0.00 0.02 0.00 0.00 54.97 54.83 1xpw s GLU 134 Cb -0.07 -2.71 0.00 0.00 0.10 0.00 0.00 34.13 31.46 1xpw s GLU 134 CO -0.00 0.25 0.00 0.41 0.02 0.00 0.00 175.26 175.93 1xpw n GLY 135 N -1.12 0.16 3.28 -1.39 0.00 -1.19 0.11 105.19 105.05 1xpw n GLY 135 Ca -0.03 -1.33 -0.16 0.00 0.00 0.00 0.00 46.02 44.49 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 -3.50 1.41 -0.35 2.61 -4.23 -0.39 -1.90 115.64 109.29 1xpw s THR 136 Ca 0.00 -2.05 -0.13 0.00 -1.18 0.00 0.00 61.69 58.32 1xpw s THR 136 Cb 0.00 -1.86 -0.01 0.00 1.34 0.00 0.00 72.50 71.97 1xpw s THR 136 CO 0.00 -0.63 0.27 0.68 -0.54 0.00 0.00 174.62 174.40 1xpw s VAL 137 N -2.97 5.26 0.09 2.29 -7.23 -1.26 -0.43 120.40 116.15 1xpw s VAL 137 Ca 0.17 -0.20 -0.14 0.00 -1.81 0.00 0.00 61.98 60.00 1xpw s VAL 137 Cb -0.00 -3.75 -0.15 0.00 0.56 0.00 0.00 36.38 33.04 1xpw s VAL 137 CO 0.03 -0.05 1.30 0.58 -0.31 0.00 0.00 175.10 176.66 1xpw h VAL 138 N 5.51 1.31 -2.31 1.32 2.07 -0.96 -3.42 116.25 119.77 1xpw h VAL 138 Ca -0.31 -1.85 -0.35 0.00 0.82 0.00 0.00 66.70 65.01 1xpw h VAL 138 Cb 1.15 1.97 -0.35 0.00 -1.52 0.00 0.00 31.29 32.54 1xpw h VAL 138 CO 0.65 0.58 -0.65 -0.44 0.02 0.00 0.00 177.57 177.73 1xpw s SER 139 N -6.91 1.86 1.20 0.57 0.01 0.08 -4.98 113.70 105.53 1xpw s SER 139 Ca -0.11 -0.71 -0.15 0.00 1.31 0.00 0.00 55.95 56.29 1xpw s SER 139 Cb 0.08 0.37 0.23 0.00 0.21 0.00 0.00 66.02 66.90 1xpw s SER 139 CO 0.87 -0.38 0.77 -3.20 0.41 0.00 0.00 173.24 171.71 1xpw n ASN 140 N 5.30 -1.99 -4.57 2.44 2.85 -1.26 -1.34 115.26 116.69 1xpw n ASN 140 Ca -0.03 -0.94 -0.28 0.00 -0.11 0.00 0.00 54.58 53.21 1xpw n ASN 140 Cb 0.46 -0.72 -0.06 0.00 1.24 0.00 0.00 39.78 40.70 1xpw n ASN 140 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1xpw s LEU 141 N 0.00 3.11 0.00 1.20 1.98 -1.26 -4.20 118.68 119.51 1xpw s LEU 141 Ca 0.51 -1.29 0.00 0.00 -2.89 0.00 0.00 54.13 50.46 1xpw s LEU 141 Cb -0.05 -2.58 0.00 0.00 0.66 0.00 0.00 46.19 44.22 1xpw s LEU 141 CO 0.39 -2.90 0.79 -1.20 -1.89 0.00 0.00 176.35 171.55 1xpw n SER 142 N 14.06 0.00 0.00 3.68 7.64 -1.26 -5.22 113.62 132.52 1xpw n SER 142 Ca 0.43 -1.62 0.15 0.00 1.01 0.00 0.00 58.87 58.83 1xpw n SER 142 Cb 0.47 -0.12 0.87 0.00 -1.01 0.00 0.00 64.21 64.41 1xpw n SER 142 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83