#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 -2.82 -3.79 3.17 1.74 -1.26 -4.95 116.66 108.75 1xpw n ARG 2 Ca 0.00 0.82 -0.29 0.00 -0.77 0.00 0.00 57.85 57.61 1xpw n ARG 2 Cb 0.00 -5.52 -0.16 0.00 -1.02 0.00 0.00 32.46 25.76 1xpw n ARG 2 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1xpw s LYS 3 N -5.31 0.92 -0.21 5.56 2.20 -1.25 -3.00 119.74 118.64 1xpw s LYS 3 Ca 0.12 -0.86 -0.18 0.00 -0.36 0.00 0.00 55.97 54.70 1xpw s LYS 3 Cb -0.06 -2.20 0.06 0.00 -1.51 0.00 0.00 37.83 34.12 1xpw s LYS 3 CO 0.15 -0.78 0.55 -1.50 -0.36 0.00 0.00 175.35 173.41 1xpw s ILE 4 N 1.63 -0.00 -0.65 5.43 2.07 -1.26 -4.90 121.20 123.52 1xpw s ILE 4 Ca 0.03 0.01 -0.26 0.00 -1.41 0.00 0.00 60.65 59.02 1xpw s ILE 4 Cb -0.18 -0.78 -0.06 0.00 0.13 0.00 0.00 42.46 41.57 1xpw s ILE 4 CO -0.15 0.00 2.15 -1.81 -1.91 0.00 0.00 174.94 173.23 1xpw s ASP 5 N 0.58 4.74 0.00 4.50 1.11 -1.26 -3.71 116.67 122.63 1xpw s ASP 5 Ca -0.02 0.39 0.30 0.00 0.18 0.00 0.00 52.55 53.40 1xpw s ASP 5 Cb -0.05 -2.53 1.55 0.00 1.07 0.00 0.00 42.92 42.97 1xpw s ASP 5 CO -0.03 -2.85 2.06 0.18 1.18 0.00 0.00 175.17 175.70 1xpw n LEU 6 N 15.00 0.09 -0.31 1.23 4.77 0.10 -2.77 117.00 135.11 1xpw n LEU 6 Ca 0.33 0.17 0.13 0.00 -0.03 0.00 0.00 56.01 56.62 1xpw n LEU 6 Cb 0.51 -0.21 0.40 0.00 -2.33 0.00 0.00 43.42 41.79 1xpw n LEU 6 CO 0.67 0.02 0.70 0.00 -1.33 0.00 0.00 177.39 177.44 1xpw n LEU 8 N -0.43 4.35 0.26 0.00 4.77 -1.11 -4.55 117.00 120.28 1xpw n LEU 8 Ca 0.14 1.20 0.18 0.00 -0.03 0.00 0.00 56.01 57.50 1xpw n LEU 8 Cb 0.35 -1.57 0.87 0.00 -2.33 0.00 0.00 43.42 40.75 1xpw n LEU 8 CO 0.24 -0.14 1.03 0.28 -1.33 0.00 0.00 177.39 177.47 1xpw h SER 9 N 2.70 0.00 0.96 -1.43 0.02 -1.82 0.13 113.55 114.11 1xpw h SER 9 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1xpw h SER 9 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1xpw h SER 9 CO 0.63 0.00 -0.04 -1.20 -1.14 0.00 0.00 176.83 175.08 1xpw n SER 10 N -2.82 0.04 -0.74 3.07 7.64 -1.26 -2.77 113.62 116.78 1xpw n SER 10 Ca -0.01 0.44 0.11 0.00 1.01 0.00 0.00 58.87 60.42 1xpw n SER 10 Cb 0.15 -0.44 0.06 0.00 -1.01 0.00 0.00 64.21 62.96 1xpw n SER 10 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1xpw n GLU 11 N -1.50 1.82 -0.54 1.43 -0.58 0.44 -4.96 120.64 116.75 1xpw n GLU 11 Ca 0.07 -1.53 0.00 0.00 -0.42 0.00 0.00 57.16 55.28 1xpw n GLU 11 Cb 0.34 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.79 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 1.27 0.67 3.79 0.62 0.00 -1.11 -4.99 105.19 105.43 1xpw n GLY 12 Ca 0.11 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 1xpw n GLY 12 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xpw s SER 13 N -2.52 6.47 0.08 1.61 0.15 -1.10 -4.51 113.70 113.88 1xpw s SER 13 Ca 0.00 0.56 0.08 0.00 0.70 0.00 0.00 55.95 57.29 1xpw s SER 13 Cb 0.00 -2.16 -0.03 0.00 -1.71 0.00 0.00 66.02 62.12 1xpw s SER 13 CO 0.00 0.24 -0.23 -1.61 1.20 0.00 0.00 173.24 172.84 1xpw s GLU 14 N -0.26 1.37 -0.48 5.44 2.02 -0.59 -4.06 118.70 122.14 1xpw s GLU 14 Ca 0.17 -1.10 -0.18 0.00 0.02 0.00 0.00 54.97 53.87 1xpw s GLU 14 Cb -0.13 -1.61 0.05 0.00 0.10 0.00 0.00 34.13 32.54 1xpw s GLU 14 CO 0.05 0.40 0.55 0.14 0.02 0.00 0.00 175.26 176.42 1xpw s VAL 15 N -0.95 4.98 0.36 2.63 -7.23 -1.26 -0.54 120.40 118.38 1xpw s VAL 15 Ca 0.09 -0.57 0.02 0.00 -1.81 0.00 0.00 61.98 59.71 1xpw s VAL 15 Cb -0.10 -4.22 -0.02 0.00 0.56 0.00 0.00 36.38 32.60 1xpw s VAL 15 CO 0.03 -0.69 0.54 -0.51 -0.31 0.00 0.00 175.10 174.16 1xpw s ILE 16 N 2.35 4.69 0.00 -0.62 2.07 0.52 -4.85 121.20 125.37 1xpw s ILE 16 Ca 0.13 -0.63 0.00 0.00 -1.41 0.00 0.00 60.65 58.73 1xpw s ILE 16 Cb -0.20 -3.70 0.00 0.00 0.13 0.00 0.00 42.46 38.69 1xpw s ILE 16 CO 0.11 -0.41 0.00 -0.11 -1.91 0.00 0.00 174.94 172.63 1xpw n LEU 17 N -1.78 0.00 -2.33 8.50 7.94 -1.26 -1.89 117.00 126.17 1xpw n LEU 17 Ca -0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 1xpw n LEU 17 Cb 0.57 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.52 1xpw n LEU 17 CO 0.47 0.00 -0.49 0.00 -1.11 0.00 0.00 177.39 176.26 1xpw n ALA 18 N 5.15 -1.97 0.21 1.96 0.00 -1.22 -4.77 120.51 119.85 1xpw n ALA 18 Ca 0.00 0.49 0.13 0.00 0.00 0.00 0.00 53.44 54.06 1xpw n ALA 18 Cb 0.00 -1.47 0.72 0.00 0.00 0.00 0.00 19.45 18.70 1xpw n ALA 18 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1xpw h THR 19 N 4.34 0.79 -2.48 0.00 2.02 -1.02 -3.30 112.91 113.26 1xpw h THR 19 Ca 0.00 0.00 -0.59 0.00 0.77 0.00 0.00 66.41 66.59 1xpw h THR 19 Cb 0.00 0.92 -0.39 0.00 -1.74 0.00 0.00 68.15 66.95 1xpw h THR 19 CO 0.00 0.00 -0.92 -0.44 0.37 0.00 0.00 175.52 174.53 1xpw s SER 20 N -6.55 1.97 -0.15 4.18 0.01 -1.26 -5.00 113.70 106.90 1xpw s SER 20 Ca -0.05 -3.06 -0.20 0.00 1.31 0.00 0.00 55.95 53.95 1xpw s SER 20 Cb 0.17 -0.58 -0.03 0.00 0.21 0.00 0.00 66.02 65.79 1xpw s SER 20 CO 0.64 -0.18 0.55 -0.44 0.41 0.00 0.00 173.24 174.23 1xpw s SER 21 N -0.01 6.69 0.14 2.44 0.01 -1.25 -4.86 113.70 116.87 1xpw s SER 21 Ca 0.30 0.83 -0.10 0.00 1.31 0.00 0.00 55.95 58.29 1xpw s SER 21 Cb -0.00 -2.32 -0.06 0.00 0.21 0.00 0.00 66.02 63.84 1xpw s SER 21 CO -0.17 -0.13 0.48 -0.62 0.41 0.00 0.00 173.24 173.21 1xpw s ASP 22 N 0.93 6.67 -0.05 2.44 -1.08 -1.26 -5.00 116.67 119.32 1xpw s ASP 22 Ca 0.28 0.88 0.15 0.00 -0.52 0.00 0.00 52.55 53.33 1xpw s ASP 22 Cb -0.16 -2.21 -0.21 0.00 -1.46 0.00 0.00 42.92 38.88 1xpw s ASP 22 CO 0.11 0.07 0.59 1.21 0.52 0.00 0.00 175.17 177.68 1xpw n GLU 23 N 0.51 0.64 -0.00 4.34 0.00 -1.26 -2.76 120.64 122.10 1xpw n GLU 23 Ca -0.04 0.21 -0.06 0.00 0.00 0.00 0.00 57.16 57.27 1xpw n GLU 23 Cb 0.52 -1.74 -0.12 0.00 0.00 0.00 0.00 31.44 30.09 1xpw n GLU 23 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.13 178.70 1xpw h LYS 24 N 0.00 0.00 -2.92 5.31 2.10 -2.05 -3.40 116.57 115.60 1xpw h LYS 24 Ca -0.29 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 57.75 1xpw h LYS 24 Cb 1.93 0.00 -0.40 0.00 -0.90 0.00 0.00 32.23 32.86 1xpw h LYS 24 CO 0.06 0.48 -0.75 -1.58 -2.00 0.00 0.00 179.45 175.67 1xpw s HIS 25 N -2.68 1.96 0.78 0.07 2.46 -1.26 -5.13 115.29 111.49 1xpw s HIS 25 Ca -0.04 -2.44 -0.13 0.00 0.47 0.00 0.00 55.06 52.93 1xpw s HIS 25 Cb 0.08 -1.82 0.07 0.00 -0.13 0.00 0.00 32.58 30.78 1xpw s HIS 25 CO 0.82 -0.77 1.16 -1.25 -2.47 0.00 0.00 174.74 172.23 1xpw s PRO 26 N 0.24 1.89 0.00 2.88 0.04 -1.11 -4.04 135.00 134.89 1xpw s PRO 26 Ca 0.19 1.57 0.06 0.00 0.04 0.00 0.00 61.00 62.86 1xpw s PRO 26 Cb -0.21 -1.82 0.33 0.00 0.04 0.00 0.00 34.50 32.84 1xpw s PRO 26 CO -0.03 -1.99 0.74 -2.30 0.04 0.00 0.00 177.00 173.46 1xpw n PRO 27 N -3.27 0.39 0.30 0.56 -0.02 -1.26 -3.40 135.00 128.30 1xpw n PRO 27 Ca 0.12 0.00 0.16 0.00 -2.02 0.00 0.00 63.50 61.76 1xpw n PRO 27 Cb 0.51 -1.22 0.94 0.00 -0.02 0.00 0.00 33.50 33.71 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 -0.01 -0.52 5.08 -1.96 0.28 114.58 117.45 1xpw h GLU 28 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xpw h GLU 28 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1xpw h GLU 28 CO 0.00 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.10 1xpw n ASN 29 N -3.79 0.16 0.00 1.42 5.03 -1.22 -2.71 115.26 114.15 1xpw n ASN 29 Ca -0.03 -1.23 0.14 0.00 0.87 0.00 0.00 54.58 54.33 1xpw n ASN 29 Cb 0.08 -0.00 0.67 0.00 -1.02 0.00 0.00 39.78 39.51 1xpw n ASN 29 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xpw n ILE 30 N -0.79 0.04 0.00 2.41 3.06 0.09 -3.85 119.36 120.32 1xpw n ILE 30 Ca 0.19 0.01 0.00 0.00 -2.50 0.00 0.00 62.75 60.45 1xpw n ILE 30 Cb 0.11 -0.52 0.00 0.00 0.54 0.00 0.00 39.64 39.77 1xpw n ILE 30 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 1xpw n ILE 31 N -1.40 0.00 0.00 9.51 5.41 -1.12 -3.51 119.36 128.25 1xpw n ILE 31 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.85 1xpw n ILE 31 Cb 0.29 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.22 1xpw n ILE 31 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1xpw n ASP 32 N 0.00 0.00 0.00 4.38 -0.08 -1.10 -4.15 116.55 115.60 1xpw n ASP 32 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1xpw n ASP 32 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1xpw n ASP 32 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xpw n GLY 33 N 0.00 2.52 3.70 0.27 0.00 -1.26 -4.62 105.19 105.80 1xpw n GLY 33 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.76 6.77 -0.00 1.61 -0.87 -1.26 -4.95 114.94 115.47 1xpw s ASN 34 Ca 0.00 0.93 0.00 0.00 -1.57 0.00 0.00 52.86 52.22 1xpw s ASN 34 Cb 0.00 -2.34 0.01 0.00 -0.02 0.00 0.00 41.25 38.90 1xpw s ASN 34 CO 0.00 -0.11 0.53 -2.65 -2.57 0.00 0.00 177.10 172.31 1xpw n PRO 35 N 4.08 1.04 0.11 -0.60 -0.02 -1.26 -4.29 135.00 134.05 1xpw n PRO 35 Ca -0.04 -0.03 -0.13 0.00 -2.02 0.00 0.00 63.50 61.28 1xpw n PRO 35 Cb 0.51 -1.49 -0.08 0.00 -0.02 0.00 0.00 33.50 32.42 1xpw n PRO 35 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1xpw h GLU 36 N 0.04 -0.25 0.00 -0.52 4.39 -1.97 -3.47 114.58 112.80 1xpw h GLU 36 Ca 0.00 0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.57 1xpw h GLU 36 Cb 0.49 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.16 1xpw h GLU 36 CO 0.00 0.02 -0.13 2.41 -1.16 0.00 0.00 179.01 180.15 1xpw n THR 37 N -5.09 0.00 -3.98 1.13 -1.04 -1.26 -5.19 114.28 98.85 1xpw n THR 37 Ca -0.09 -0.74 -0.12 0.00 -2.04 0.00 0.00 64.05 61.06 1xpw n THR 37 Cb 0.21 0.38 -0.02 0.00 -1.82 0.00 0.00 70.33 69.08 1xpw n THR 37 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 1xpw n PHE 38 N -0.20 -1.36 -4.01 -1.42 1.16 -1.26 -4.83 117.46 105.55 1xpw n PHE 38 Ca 0.02 -2.01 -0.35 0.00 -1.87 0.00 0.00 57.45 53.24 1xpw n PHE 38 Cb 0.19 0.49 -0.09 0.00 -1.61 0.00 0.00 39.48 38.46 1xpw n PHE 38 CO 0.00 0.00 0.00 -0.46 -1.87 0.00 0.00 176.76 174.43 1xpw s TRP 39 N -3.20 3.28 0.36 2.97 -0.00 -1.14 -4.75 118.94 116.45 1xpw s TRP 39 Ca 0.25 0.12 0.09 0.00 -0.00 0.00 0.00 56.10 56.56 1xpw s TRP 39 Cb -0.01 -2.05 -0.06 0.00 -0.00 0.00 0.00 33.47 31.35 1xpw s TRP 39 CO 0.18 0.22 0.03 -0.08 -0.00 0.00 0.00 176.95 177.29 1xpw s THR 40 N 0.19 2.49 0.33 5.86 -1.32 -1.26 -2.75 115.64 119.17 1xpw s THR 40 Ca 0.05 -1.96 -0.08 0.00 -1.21 0.00 0.00 61.69 58.49 1xpw s THR 40 Cb -0.12 -2.83 -0.06 0.00 -1.51 0.00 0.00 72.50 67.98 1xpw s THR 40 CO 0.00 -0.15 0.65 0.42 -2.21 0.00 0.00 174.62 173.33 1xpw s THR 41 N -2.56 4.90 0.07 5.08 -4.23 -0.88 -4.98 115.64 113.04 1xpw s THR 41 Ca 0.35 0.38 0.09 0.00 -1.18 0.00 0.00 61.69 61.33 1xpw s THR 41 Cb 0.02 -3.71 -0.21 0.00 1.34 0.00 0.00 72.50 69.94 1xpw s THR 41 CO 0.19 -0.36 1.12 0.71 -0.54 0.00 0.00 174.62 175.75 1xpw h THR 42 N 1.37 1.47 0.00 3.99 1.35 -1.89 -3.43 112.91 115.78 1xpw h THR 42 Ca -0.47 -3.21 0.00 0.00 -0.55 0.00 0.00 66.41 62.18 1xpw h THR 42 Cb 1.19 2.73 0.00 0.00 -1.73 0.00 0.00 68.15 70.33 1xpw h THR 42 CO 0.66 0.84 0.00 0.61 -0.25 0.00 0.00 175.52 177.37 1xpw n GLY 43 N 1.40 0.99 2.74 5.82 0.00 -1.24 -4.92 105.19 109.98 1xpw n GLY 43 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1xpw n GLY 43 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xpw n MET 44 N -0.49 3.45 -2.33 1.61 2.81 -1.26 -4.97 117.12 115.94 1xpw n MET 44 Ca 0.00 -3.11 -0.33 0.00 -1.81 0.00 0.00 57.70 52.45 1xpw n MET 44 Cb 0.00 -3.02 -0.02 0.00 -0.71 0.00 0.00 33.22 29.48 1xpw n MET 44 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1xpw s PHE 45 N 1.33 3.12 0.20 2.03 0.08 -1.26 -4.05 117.98 119.43 1xpw s PHE 45 Ca 0.45 1.53 -0.30 0.00 0.12 0.00 0.00 56.93 58.73 1xpw s PHE 45 Cb 0.13 -2.96 -0.08 0.00 -0.57 0.00 0.00 43.02 39.53 1xpw s PHE 45 CO -0.04 -0.78 0.96 -1.25 -0.10 0.00 0.00 175.22 174.00 1xpw s PRO 46 N -3.76 4.79 -0.15 0.24 0.04 -1.25 -5.05 135.00 129.86 1xpw s PRO 46 Ca 0.63 1.50 -0.04 0.00 0.04 0.00 0.00 61.00 63.14 1xpw s PRO 46 Cb -0.14 -3.30 -0.03 0.00 0.04 0.00 0.00 34.50 31.06 1xpw s PRO 46 CO 0.29 0.40 -0.02 -0.65 0.04 0.00 0.00 177.00 177.06 1xpw s GLN 47 N -0.82 3.60 0.20 4.56 -0.21 -0.32 -4.93 119.66 121.74 1xpw s GLN 47 Ca 0.43 -0.48 0.09 0.00 0.02 0.00 0.00 55.36 55.42 1xpw s GLN 47 Cb -0.26 -2.93 -0.04 0.00 1.00 0.00 0.00 33.01 30.78 1xpw s GLN 47 CO 0.32 0.32 -0.18 -1.83 -2.12 0.00 0.00 175.29 171.80 1xpw s GLU 48 N 0.16 1.37 -0.05 2.91 -1.05 -1.26 -0.43 118.70 120.35 1xpw s GLU 48 Ca -0.01 -1.52 -0.12 0.00 -0.15 0.00 0.00 54.97 53.17 1xpw s GLU 48 Cb -0.13 -1.38 0.02 0.00 -0.44 0.00 0.00 34.13 32.20 1xpw s GLU 48 CO 0.02 0.26 0.28 -0.59 0.95 0.00 0.00 175.26 176.19 1xpw s PHE 49 N -2.35 -0.22 -0.24 4.83 -0.71 -0.45 -0.31 117.98 118.54 1xpw s PHE 49 Ca 0.20 0.45 -0.02 0.00 -1.04 0.00 0.00 56.93 56.52 1xpw s PHE 49 Cb -0.04 0.09 0.01 0.00 -1.21 0.00 0.00 43.02 41.87 1xpw s PHE 49 CO 0.08 -0.28 -0.06 0.42 -1.34 0.00 0.00 175.22 174.04 1xpw s ILE 50 N -0.69 3.01 -0.23 -4.49 1.01 -0.79 -1.03 121.20 117.98 1xpw s ILE 50 Ca -0.08 -0.83 -0.16 0.00 0.00 0.00 0.00 60.65 59.57 1xpw s ILE 50 Cb -0.04 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 1xpw s ILE 50 CO 0.02 0.30 0.43 -0.63 0.00 0.00 0.00 174.94 175.06 1xpw s ILE 51 N 1.38 5.15 -0.26 2.92 1.01 0.49 -0.36 121.20 131.53 1xpw s ILE 51 Ca 0.03 0.75 -0.09 0.00 0.00 0.00 0.00 60.65 61.33 1xpw s ILE 51 Cb -0.16 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 1xpw s ILE 51 CO -0.05 0.18 0.13 0.00 0.00 0.00 0.00 174.94 175.21 1xpw h PHE 53 N 8.15 0.00 0.00 0.00 0.04 -1.48 -1.57 116.94 122.08 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 1.18 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.33 1xpw h PHE 53 CO 0.70 0.35 0.00 0.72 -0.60 0.00 0.00 178.31 179.49 1xpw n HIS 54 N -3.29 0.00 -3.91 -0.55 8.25 -1.26 -4.37 115.22 110.10 1xpw n HIS 54 Ca 0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.39 1xpw n HIS 54 Cb 0.60 -1.33 -0.04 0.00 1.12 0.00 0.00 29.99 30.35 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 -1.21 1.61 -0.48 -0.41 -2.85 -1.26 -0.33 119.74 114.81 1xpw s LYS 55 Ca 0.00 -1.09 -0.17 0.00 -1.00 0.00 0.00 55.97 53.71 1xpw s LYS 55 Cb 0.00 0.53 0.06 0.00 -2.06 0.00 0.00 37.83 36.36 1xpw s LYS 55 CO 0.00 -0.70 0.46 -1.58 0.10 0.00 0.00 175.35 173.63 1xpw s HIS 56 N -3.96 3.18 0.18 1.78 5.65 -1.06 -4.59 115.29 116.47 1xpw s HIS 56 Ca 0.16 -0.76 0.08 0.00 0.25 0.00 0.00 55.06 54.79 1xpw s HIS 56 Cb -0.03 -3.24 -0.04 0.00 -1.18 0.00 0.00 32.58 28.09 1xpw s HIS 56 CO 0.06 -0.85 -0.05 0.14 -0.65 0.00 0.00 174.74 173.39 1xpw s VAL 57 N 1.97 3.42 -0.38 0.89 -7.23 -1.26 -1.02 120.40 116.80 1xpw s VAL 57 Ca 0.08 -1.56 -0.14 0.00 -1.81 0.00 0.00 61.98 58.54 1xpw s VAL 57 Cb -0.22 -2.71 0.01 0.00 0.56 0.00 0.00 36.38 34.02 1xpw s VAL 57 CO 0.09 -0.12 0.27 -0.60 -0.31 0.00 0.00 175.10 174.44 1xpw s ARG 58 N -2.90 3.15 -0.17 4.82 3.52 0.28 -3.75 118.95 123.90 1xpw s ARG 58 Ca 0.26 -0.89 -0.19 0.00 -0.13 0.00 0.00 55.73 54.78 1xpw s ARG 58 Cb -0.09 -3.91 -0.03 0.00 -1.56 0.00 0.00 34.95 29.36 1xpw s ARG 58 CO 0.17 -0.64 0.55 0.42 -0.81 0.00 0.00 175.30 174.99 1xpw s ILE 59 N 1.69 5.10 0.00 4.11 1.01 0.63 -2.06 121.20 131.67 1xpw s ILE 59 Ca 0.05 1.05 0.00 0.00 0.00 0.00 0.00 60.65 61.76 1xpw s ILE 59 Cb -0.18 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.41 1xpw s ILE 59 CO 0.10 0.20 0.00 -0.62 0.00 0.00 0.00 174.94 174.62 1xpw n GLU 60 N 4.53 4.13 -3.79 2.79 1.02 0.13 -0.18 120.64 129.26 1xpw n GLU 60 Ca -0.04 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.00 1xpw n GLU 60 Cb 0.51 -0.58 -0.07 0.00 -0.02 0.00 0.00 31.44 31.27 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 -1.11 0.85 -0.04 3.49 1.81 -0.80 -2.91 118.95 120.24 1xpw s ARG 61 Ca 0.00 -0.74 0.02 0.00 -1.72 0.00 0.00 55.73 53.29 1xpw s ARG 61 Cb 0.00 0.36 0.01 0.00 -0.45 0.00 0.00 34.95 34.87 1xpw s ARG 61 CO 0.00 -0.28 -0.09 -0.51 -0.68 0.00 0.00 175.30 173.74 1xpw s LEU 62 N -2.52 1.65 -0.44 2.53 1.02 0.50 -0.32 118.68 121.11 1xpw s LEU 62 Ca 0.00 -0.21 -0.08 0.00 0.02 0.00 0.00 54.13 53.86 1xpw s LEU 62 Cb 0.02 -0.63 0.10 0.00 0.02 0.00 0.00 46.19 45.70 1xpw s LEU 62 CO -0.08 0.03 0.28 -0.69 0.02 0.00 0.00 176.35 175.91 1xpw s VAL 63 N 0.49 4.05 -0.51 -1.59 1.01 -0.38 -1.04 120.40 122.43 1xpw s VAL 63 Ca -0.09 -1.66 -0.15 0.00 0.00 0.00 0.00 61.98 60.08 1xpw s VAL 63 Cb -0.12 -3.60 0.11 0.00 0.00 0.00 0.00 36.38 32.77 1xpw s VAL 63 CO 0.01 -0.64 0.45 -0.63 0.00 0.00 0.00 175.10 174.30 1xpw s ILE 64 N 1.35 5.11 -0.52 2.22 -1.09 -0.66 -1.22 121.20 126.40 1xpw s ILE 64 Ca 0.05 -1.39 -0.16 0.00 -2.23 0.00 0.00 60.65 56.91 1xpw s ILE 64 Cb -0.24 -4.21 0.11 0.00 -1.58 0.00 0.00 42.46 36.53 1xpw s ILE 64 CO -0.00 -0.77 0.47 -1.10 -1.23 0.00 0.00 174.94 172.31 1xpw s GLN 65 N 1.59 2.99 0.24 2.79 -0.21 0.05 -1.23 119.66 125.89 1xpw s GLN 65 Ca 0.03 -1.55 -0.21 0.00 0.02 0.00 0.00 55.36 53.66 1xpw s GLN 65 Cb -0.28 -4.23 0.03 0.00 1.00 0.00 0.00 33.01 29.53 1xpw s GLN 65 CO 0.04 -1.23 0.66 -1.54 -2.12 0.00 0.00 175.29 171.10 1xpw s SER 66 N 3.22 -0.33 0.09 5.90 1.04 -1.25 -0.41 113.70 121.97 1xpw s SER 66 Ca 0.04 -0.46 0.10 0.00 0.48 0.00 0.00 55.95 56.11 1xpw s SER 66 Cb -0.27 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 1xpw s SER 66 CO 0.05 -1.22 -0.24 -0.31 0.98 0.00 0.00 173.24 172.50 1xpw s TYR 67 N -3.88 2.38 0.00 5.02 1.51 0.14 -3.49 117.35 119.04 1xpw s TYR 67 Ca 0.09 -0.35 0.00 0.00 -1.01 0.00 0.00 57.07 55.79 1xpw s TYR 67 Cb -0.04 -1.33 0.00 0.00 -0.11 0.00 0.00 41.96 40.48 1xpw s TYR 67 CO 0.01 0.28 0.00 1.19 -1.11 0.00 0.00 175.55 175.92 1xpw n PHE 68 N 1.22 0.00 -1.12 2.71 3.72 -1.23 -3.51 117.46 119.25 1xpw n PHE 68 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 1xpw n PHE 68 Cb 0.53 0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.09 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 -6.42 0.00 -4.37 0.31 -1.26 -4.05 118.33 102.53 1xpw n VAL 69 Ca 0.00 1.46 0.00 0.00 -0.01 0.00 0.00 64.34 65.79 1xpw n VAL 69 Cb 0.00 -3.31 0.00 0.00 -0.91 0.00 0.00 33.84 29.62 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 0.68 0.00 -3.68 5.55 -0.06 0.24 -3.08 117.38 117.04 1xpw n GLN 70 Ca 0.00 0.05 -0.39 0.00 -2.00 0.00 0.00 57.00 54.66 1xpw n GLN 70 Cb 0.00 -0.43 -0.11 0.00 -4.06 0.00 0.00 30.24 25.63 1xpw n GLN 70 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 1xpw s THR 71 N -0.74 4.01 -0.36 1.69 2.01 -1.20 -3.36 115.64 117.69 1xpw s THR 71 Ca 0.00 -1.27 -0.08 0.00 0.31 0.00 0.00 61.69 60.65 1xpw s THR 71 Cb 0.00 -3.37 0.04 0.00 0.01 0.00 0.00 72.50 69.18 1xpw s THR 71 CO 0.00 -0.35 0.14 -0.22 -0.69 0.00 0.00 174.62 173.51 1xpw s LEU 72 N 1.41 4.51 -0.25 4.42 2.96 0.26 -1.07 118.68 130.92 1xpw s LEU 72 Ca 0.01 -1.15 -0.20 0.00 -0.22 0.00 0.00 54.13 52.57 1xpw s LEU 72 Cb -0.21 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 1xpw s LEU 72 CO 0.02 -0.36 0.62 -0.54 -1.32 0.00 0.00 176.35 174.77 1xpw s LYS 73 N 1.44 4.12 -0.61 1.98 1.02 0.42 -0.42 119.74 127.70 1xpw s LYS 73 Ca -0.00 0.53 -0.09 0.00 0.02 0.00 0.00 55.97 56.43 1xpw s LYS 73 Cb -0.20 -3.64 0.16 0.00 -0.52 0.00 0.00 37.83 33.63 1xpw s LYS 73 CO 0.04 -0.38 0.48 0.42 -0.92 0.00 0.00 175.35 174.99 1xpw s ILE 74 N 2.38 4.43 0.09 2.17 1.01 -0.68 -0.41 121.20 130.20 1xpw s ILE 74 Ca 0.26 -2.32 -0.06 0.00 0.00 0.00 0.00 60.65 58.54 1xpw s ILE 74 Cb -0.16 -3.85 -0.05 0.00 0.01 0.00 0.00 42.46 38.41 1xpw s ILE 74 CO 0.09 -0.87 0.34 -1.61 0.00 0.00 0.00 174.94 172.88 1xpw s GLU 75 N 0.62 3.62 0.17 2.79 8.01 -0.46 -0.86 118.70 132.59 1xpw s GLU 75 Ca 0.12 -0.07 0.09 0.00 0.01 0.00 0.00 54.97 55.12 1xpw s GLU 75 Cb -0.20 -2.94 -0.04 0.00 -4.31 0.00 0.00 34.13 26.63 1xpw s GLU 75 CO -0.04 0.54 -0.20 -1.59 0.01 0.00 0.00 175.26 173.98 1xpw s LYS 76 N -2.31 1.34 0.01 1.61 -2.85 0.47 -0.36 119.74 117.64 1xpw s LYS 76 Ca 0.36 -1.43 0.00 0.00 -1.00 0.00 0.00 55.97 53.91 1xpw s LYS 76 Cb -0.13 -1.48 -0.01 0.00 -2.06 0.00 0.00 37.83 34.16 1xpw s LYS 76 CO 0.22 0.31 -0.02 0.45 0.10 0.00 0.00 175.35 176.40 1xpw s SER 77 N -2.63 0.24 -0.07 0.03 0.15 -0.30 -0.42 113.70 110.69 1xpw s SER 77 Ca 0.17 -0.18 0.12 0.00 0.70 0.00 0.00 55.95 56.76 1xpw s SER 77 Cb -0.07 0.01 0.36 0.00 -1.71 0.00 0.00 66.02 64.62 1xpw s SER 77 CO 0.07 -0.07 1.29 0.35 1.20 0.00 0.00 173.24 176.08 1xpw n THR 78 N 2.58 1.52 -2.17 6.45 -2.24 -1.26 -0.82 114.28 118.34 1xpw n THR 78 Ca -0.16 -1.39 -0.17 0.00 -2.27 0.00 0.00 64.05 60.07 1xpw n THR 78 Cb 0.58 0.18 0.10 0.00 -2.10 0.00 0.00 70.33 69.09 1xpw n THR 78 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1xpw n SER 79 N -0.05 0.60 -0.00 3.42 2.88 -1.26 -4.82 113.62 114.38 1xpw n SER 79 Ca 0.14 -1.60 0.08 0.00 -1.33 0.00 0.00 58.87 56.17 1xpw n SER 79 Cb 0.59 -0.51 -0.10 0.00 -0.75 0.00 0.00 64.21 63.44 1xpw n SER 79 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1xpw n LYS 80 N -2.44 1.31 -4.30 -1.46 5.02 -1.26 -4.72 118.16 110.31 1xpw n LYS 80 Ca 0.11 -0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.06 1xpw n LYS 80 Cb 0.39 -1.31 -0.09 0.00 -0.02 0.00 0.00 35.03 33.99 1xpw n LYS 80 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1xpw s GLU 81 N -2.63 2.96 0.00 1.97 2.12 -1.26 -5.00 118.70 116.86 1xpw s GLU 81 Ca 0.06 -0.46 -0.01 0.00 0.36 0.00 0.00 54.97 54.92 1xpw s GLU 81 Cb 0.13 -2.78 -0.06 0.00 0.26 0.00 0.00 34.13 31.67 1xpw s GLU 81 CO 0.71 0.68 1.52 -2.30 -0.54 0.00 0.00 175.26 175.32 1xpw n PRO 82 N 1.82 0.75 -4.30 4.30 -0.02 -1.26 -4.77 135.00 131.52 1xpw n PRO 82 Ca -0.17 -0.24 -0.17 0.00 -2.02 0.00 0.00 63.50 60.90 1xpw n PRO 82 Cb 0.53 -1.49 -0.09 0.00 -0.02 0.00 0.00 33.50 32.43 1xpw n PRO 82 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1xpw s VAL 83 N 1.46 0.25 -0.79 -1.45 -7.23 -1.26 -4.98 120.40 106.40 1xpw s VAL 83 Ca 0.16 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.32 1xpw s VAL 83 Cb 0.08 -2.52 -0.00 0.00 0.56 0.00 0.00 36.38 34.49 1xpw s VAL 83 CO 0.00 0.00 0.69 0.47 -0.31 0.00 0.00 175.10 175.95 1xpw n ASP 84 N -0.81 -7.05 -4.85 4.85 8.00 -1.26 -4.90 116.55 110.53 1xpw n ASP 84 Ca 0.02 -0.32 -0.37 0.00 0.71 0.00 0.00 54.79 54.83 1xpw n ASP 84 Cb 0.65 -4.49 -0.06 0.00 -0.02 0.00 0.00 41.12 37.20 1xpw n ASP 84 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1xpw s PHE 85 N -3.03 3.68 -0.11 1.24 0.08 -1.26 -4.72 117.98 113.87 1xpw s PHE 85 Ca 0.04 0.90 0.02 0.00 0.12 0.00 0.00 56.93 58.02 1xpw s PHE 85 Cb -0.01 -2.23 -0.01 0.00 -0.57 0.00 0.00 43.02 40.21 1xpw s PHE 85 CO 0.78 0.63 -0.19 -1.21 -0.10 0.00 0.00 175.22 175.13 1xpw s GLU 86 N -1.26 3.13 0.08 0.44 2.02 0.44 -4.86 118.70 118.68 1xpw s GLU 86 Ca 0.25 -0.79 -0.31 0.00 0.02 0.00 0.00 54.97 54.14 1xpw s GLU 86 Cb -0.16 -2.43 -0.10 0.00 0.10 0.00 0.00 34.13 31.54 1xpw s GLU 86 CO 0.13 0.23 1.90 0.94 0.02 0.00 0.00 175.26 178.48 1xpw n GLN 87 N 3.42 2.82 -0.02 1.61 7.27 -1.26 -0.40 117.38 130.81 1xpw n GLN 87 Ca -0.18 1.03 -0.02 0.00 0.07 0.00 0.00 57.00 57.90 1xpw n GLN 87 Cb 0.53 -2.95 -0.01 0.00 2.41 0.00 0.00 30.24 30.22 1xpw n GLN 87 CO 0.00 0.00 0.00 1.87 0.07 0.00 0.00 177.06 179.00 1xpw n TRP 88 N 6.43 0.14 -3.79 3.69 -0.00 -0.04 -4.85 117.44 119.02 1xpw n TRP 88 Ca 0.19 0.06 -0.13 0.00 -0.00 0.00 0.00 57.50 57.62 1xpw n TRP 88 Cb 0.39 -0.28 -0.13 0.00 -0.00 0.00 0.00 31.31 31.29 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 -1.42 -0.01 -0.24 5.87 -4.36 -0.92 -5.05 121.20 115.07 1xpw s ILE 89 Ca -0.06 0.05 -0.09 0.00 -0.26 0.00 0.00 60.65 60.29 1xpw s ILE 89 Cb 0.01 -0.26 -0.04 0.00 1.25 0.00 0.00 42.46 43.42 1xpw s ILE 89 CO 0.09 0.02 0.11 -0.70 0.24 0.00 0.00 174.94 174.69 1xpw s GLU 90 N 0.40 3.87 -0.02 0.37 2.12 -1.26 -1.68 118.70 122.49 1xpw s GLU 90 Ca -0.03 -0.38 0.08 0.00 0.36 0.00 0.00 54.97 55.00 1xpw s GLU 90 Cb -0.04 -3.40 -0.02 0.00 0.26 0.00 0.00 34.13 30.93 1xpw s GLU 90 CO -0.02 -0.02 -0.25 0.21 -0.54 0.00 0.00 175.26 174.64 1xpw s LYS 91 N 1.23 2.15 0.04 4.30 2.36 0.44 -4.99 119.74 125.27 1xpw s LYS 91 Ca 0.06 -0.91 0.06 0.00 -2.55 0.00 0.00 55.97 52.62 1xpw s LYS 91 Cb -0.14 -2.07 -0.03 0.00 -1.05 0.00 0.00 37.83 34.54 1xpw s LYS 91 CO 0.05 0.56 -0.12 0.16 1.55 0.00 0.00 175.35 177.55 1xpw s ASP 92 N -0.60 4.28 0.47 1.43 -4.77 -1.26 -0.58 116.67 115.64 1xpw s ASP 92 Ca 0.10 -0.30 0.05 0.00 -3.30 0.00 0.00 52.55 49.09 1xpw s ASP 92 Cb -0.10 -0.85 -0.03 0.00 -1.09 0.00 0.00 42.92 40.84 1xpw s ASP 92 CO -0.01 0.25 0.08 -0.76 0.70 0.00 0.00 175.17 175.43 1xpw s LEU 93 N -1.61 2.67 -0.02 2.11 1.43 -1.18 -5.02 118.68 117.06 1xpw s LEU 93 Ca 0.17 -1.42 0.02 0.00 -1.03 0.00 0.00 54.13 51.87 1xpw s LEU 93 Cb -0.11 -0.96 -0.03 0.00 0.03 0.00 0.00 46.19 45.11 1xpw s LEU 93 CO 0.08 -0.70 -0.03 -0.69 0.23 0.00 0.00 176.35 175.24 1xpw s VAL 94 N -2.76 3.98 -0.72 -1.59 1.01 -1.26 -4.72 120.40 114.34 1xpw s VAL 94 Ca 0.24 -0.60 -0.27 0.00 0.00 0.00 0.00 61.98 61.35 1xpw s VAL 94 Cb 0.04 -2.74 0.02 0.00 0.00 0.00 0.00 36.38 33.70 1xpw s VAL 94 CO 0.13 0.43 1.43 -2.28 0.00 0.00 0.00 175.10 174.81 1xpw s HIS 95 N -1.01 2.14 -0.09 5.22 2.46 -1.26 -3.53 115.29 119.22 1xpw s HIS 95 Ca 0.17 0.12 0.01 0.00 0.47 0.00 0.00 55.06 55.84 1xpw s HIS 95 Cb -0.11 -4.50 0.02 0.00 -0.13 0.00 0.00 32.58 27.86 1xpw s HIS 95 CO 0.08 -2.12 -0.11 0.95 -2.47 0.00 0.00 174.74 171.07 1xpw s THR 96 N 6.55 1.13 -0.30 0.89 -4.23 -1.26 -5.01 115.64 113.40 1xpw s THR 96 Ca 0.43 -0.43 -0.22 0.00 -1.18 0.00 0.00 61.69 60.30 1xpw s THR 96 Cb -0.09 -1.07 -0.00 0.00 1.34 0.00 0.00 72.50 72.68 1xpw s THR 96 CO 0.15 0.37 0.73 -1.61 -0.54 0.00 0.00 174.62 173.71 1xpw s GLU 97 N 1.06 3.95 0.00 3.99 8.01 -1.26 -4.01 118.70 130.43 1xpw s GLU 97 Ca -0.07 0.49 0.00 0.00 0.01 0.00 0.00 54.97 55.40 1xpw s GLU 97 Cb -0.15 -3.72 0.00 0.00 -4.31 0.00 0.00 34.13 25.95 1xpw s GLU 97 CO -0.01 -0.63 0.00 0.41 0.01 0.00 0.00 175.26 175.04 1xpw n GLY 98 N 4.27 0.35 3.22 -1.39 0.00 -1.26 -4.96 105.19 105.41 1xpw n GLY 98 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.75 2.58 -0.56 1.61 -1.52 -1.26 -5.06 119.66 114.71 1xpw s GLN 99 Ca 0.00 -1.18 -0.26 0.00 -1.95 0.00 0.00 55.36 51.97 1xpw s GLN 99 Cb 0.00 -3.25 0.03 0.00 -0.22 0.00 0.00 33.01 29.57 1xpw s GLN 99 CO 0.00 -0.59 1.07 -1.17 -0.25 0.00 0.00 175.29 174.35 1xpw s LEU 100 N 1.32 3.75 -0.74 2.90 0.20 -1.26 -4.75 118.68 120.10 1xpw s LEU 100 Ca -0.03 -0.07 -0.21 0.00 0.69 0.00 0.00 54.13 54.51 1xpw s LEU 100 Cb -0.19 -3.04 0.09 0.00 -0.43 0.00 0.00 46.19 42.61 1xpw s LEU 100 CO -0.00 -1.35 1.02 -1.58 -0.29 0.00 0.00 176.35 174.15 1xpw s GLN 101 N 4.46 3.26 -0.53 1.98 2.00 -1.23 -4.98 119.66 124.62 1xpw s GLN 101 Ca 0.38 -1.11 -0.27 0.00 -2.00 0.00 0.00 55.36 52.35 1xpw s GLN 101 Cb -0.10 -4.46 0.03 0.00 0.80 0.00 0.00 33.01 29.29 1xpw s GLN 101 CO 0.23 -1.81 1.08 -0.80 -0.50 0.00 0.00 175.29 173.48 1xpw s ASN 102 N 3.72 6.47 -0.34 6.67 0.01 -1.26 -3.80 114.94 126.41 1xpw s ASN 102 Ca 0.25 0.08 -0.19 0.00 -0.71 0.00 0.00 52.86 52.29 1xpw s ASN 102 Cb -0.13 -2.51 -0.00 0.00 0.41 0.00 0.00 41.25 39.02 1xpw s ASN 102 CO 0.04 -1.30 0.57 -1.61 -1.51 0.00 0.00 177.10 173.29 1xpw s GLU 103 N 4.41 3.72 -0.60 -0.60 0.41 -0.36 -4.89 118.70 120.78 1xpw s GLU 103 Ca 0.40 0.02 -0.24 0.00 -0.41 0.00 0.00 54.97 54.74 1xpw s GLU 103 Cb -0.09 -3.79 0.05 0.00 -1.78 0.00 0.00 34.13 28.53 1xpw s GLU 103 CO 0.26 -0.64 0.97 -1.21 -0.49 0.00 0.00 175.26 174.14 1xpw s GLU 104 N 2.53 3.24 -0.30 1.61 0.41 -1.26 -1.65 118.70 123.29 1xpw s GLU 104 Ca 0.22 -0.46 -0.10 0.00 -0.41 0.00 0.00 54.97 54.22 1xpw s GLU 104 Cb -0.15 -4.12 -0.02 0.00 -1.78 0.00 0.00 34.13 28.06 1xpw s GLU 104 CO 0.13 -1.64 0.16 0.42 -0.49 0.00 0.00 175.26 173.84 1xpw s ILE 105 N 4.10 4.81 -0.91 -1.63 1.01 -0.20 -4.92 121.20 123.46 1xpw s ILE 105 Ca 0.28 -0.21 -0.22 0.00 0.00 0.00 0.00 60.65 60.50 1xpw s ILE 105 Cb -0.14 -3.38 0.07 0.00 0.01 0.00 0.00 42.46 39.03 1xpw s ILE 105 CO 0.16 0.15 1.26 0.54 0.00 0.00 0.00 174.94 177.05 1xpw s VAL 106 N 1.66 4.19 -0.14 2.92 0.11 -1.26 -0.37 120.40 127.51 1xpw s VAL 106 Ca 0.06 -0.79 0.00 0.00 -2.93 0.00 0.00 61.98 58.31 1xpw s VAL 106 Cb -0.16 -4.90 0.03 0.00 -1.53 0.00 0.00 36.38 29.81 1xpw s VAL 106 CO 0.07 -1.73 -0.11 0.00 -3.33 0.00 0.00 175.10 170.01 1xpw s ALA 107 N 4.26 1.66 -0.37 1.54 0.00 -1.15 -4.98 121.76 122.73 1xpw s ALA 107 Ca 0.37 -0.81 -0.08 0.00 0.00 0.00 0.00 51.96 51.44 1xpw s ALA 107 Cb -0.05 -1.04 0.05 0.00 0.00 0.00 0.00 23.12 22.08 1xpw s ALA 107 CO -0.04 -0.49 0.17 -3.38 0.00 0.00 0.00 175.76 172.02 1xpw s HIS 108 N 1.57 3.29 0.06 0.00 -3.43 -1.25 -2.99 115.29 112.53 1xpw s HIS 108 Ca 0.04 -1.41 -0.04 0.00 -0.80 0.00 0.00 55.06 52.85 1xpw s HIS 108 Cb -0.13 -2.51 0.01 0.00 -1.43 0.00 0.00 32.58 28.52 1xpw s HIS 108 CO -0.09 -0.76 0.20 0.41 -2.00 0.00 0.00 174.74 172.50 1xpw n GLY 109 N 4.86 1.41 2.91 -1.38 0.00 0.75 -5.00 105.19 108.74 1xpw n GLY 109 Ca -0.11 -1.01 -0.16 0.00 0.00 0.00 0.00 46.02 44.74 1xpw n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xpw s SER 110 N -1.49 0.47 0.11 1.61 0.01 -1.26 -0.27 113.70 112.89 1xpw s SER 110 Ca 0.04 -0.06 -0.18 0.00 1.31 0.00 0.00 55.95 57.06 1xpw s SER 110 Cb -0.01 -0.11 0.04 0.00 0.21 0.00 0.00 66.02 66.15 1xpw s SER 110 CO 0.02 0.01 0.45 0.00 0.41 0.00 0.00 173.24 174.13 1xpw s ALA 111 N 0.22 -1.11 -0.11 1.44 0.00 -1.25 -4.81 121.76 116.15 1xpw s ALA 111 Ca -0.02 0.16 0.08 0.00 0.00 0.00 0.00 51.96 52.18 1xpw s ALA 111 Cb -0.05 0.66 -0.12 0.00 0.00 0.00 0.00 23.12 23.61 1xpw s ALA 111 CO -0.00 -0.63 0.02 0.25 0.00 0.00 0.00 175.76 175.39 1xpw n THR 112 N -0.11 0.72 -4.70 0.00 -2.24 -0.00 -4.07 114.28 103.88 1xpw n THR 112 Ca -0.17 -0.43 -0.26 0.00 -2.27 0.00 0.00 64.05 60.93 1xpw n THR 112 Cb 0.63 -0.75 -0.16 0.00 -2.10 0.00 0.00 70.33 67.95 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 -2.25 1.62 -0.18 4.78 1.51 -0.90 -1.28 117.35 120.65 1xpw s TYR 113 Ca -0.07 -0.59 -0.01 0.00 -1.01 0.00 0.00 57.07 55.40 1xpw s TYR 113 Cb 0.03 -1.15 -0.00 0.00 -0.11 0.00 0.00 41.96 40.73 1xpw s TYR 113 CO 0.41 -0.27 -0.12 -0.51 -1.11 0.00 0.00 175.55 173.95 1xpw s LEU 114 N 0.51 2.58 -0.45 -1.29 1.43 -0.24 -1.15 118.68 120.07 1xpw s LEU 114 Ca -0.13 -0.46 -0.09 0.00 -1.03 0.00 0.00 54.13 52.42 1xpw s LEU 114 Cb -0.15 -1.61 0.10 0.00 0.03 0.00 0.00 46.19 44.56 1xpw s LEU 114 CO 0.04 0.05 0.31 -0.60 0.23 0.00 0.00 176.35 176.38 1xpw s ARG 115 N 1.04 2.55 -0.43 1.70 3.52 0.51 -0.38 118.95 127.46 1xpw s ARG 115 Ca -0.01 -1.61 -0.21 0.00 -0.13 0.00 0.00 55.73 53.77 1xpw s ARG 115 Cb -0.15 -3.87 0.02 0.00 -1.56 0.00 0.00 34.95 29.40 1xpw s ARG 115 CO -0.03 -1.08 0.68 -0.06 -0.81 0.00 0.00 175.30 174.01 1xpw s PHE 116 N 1.40 3.05 -0.38 5.12 0.40 -0.19 -1.36 117.98 126.02 1xpw s PHE 116 Ca 0.04 0.04 -0.08 0.00 -0.60 0.00 0.00 56.93 56.33 1xpw s PHE 116 Cb -0.25 -3.41 0.06 0.00 0.51 0.00 0.00 43.02 39.93 1xpw s PHE 116 CO 0.01 -0.88 0.20 0.42 0.70 0.00 0.00 175.22 175.67 1xpw s ILE 117 N 2.93 4.10 -0.63 0.64 1.01 0.45 -1.33 121.20 128.37 1xpw s ILE 117 Ca 0.25 -1.24 -0.21 0.00 0.00 0.00 0.00 60.65 59.45 1xpw s ILE 117 Cb -0.14 -3.42 0.08 0.00 0.01 0.00 0.00 42.46 39.00 1xpw s ILE 117 CO 0.20 -0.36 0.86 -0.63 0.00 0.00 0.00 174.94 175.01 1xpw s ILE 118 N 1.43 4.53 0.07 2.92 1.01 0.43 -0.43 121.20 131.15 1xpw s ILE 118 Ca 0.01 -0.64 -0.19 0.00 0.00 0.00 0.00 60.65 59.84 1xpw s ILE 118 Cb -0.21 -4.61 -0.11 0.00 0.01 0.00 0.00 42.46 37.55 1xpw s ILE 118 CO 0.03 -1.32 1.44 0.58 0.00 0.00 0.00 174.94 175.67 1xpw h VAL 119 N 5.95 1.30 -3.17 2.92 2.07 -1.37 -0.85 116.25 123.11 1xpw h VAL 119 Ca -0.29 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 1xpw h VAL 119 Cb 1.08 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 32.40 1xpw h VAL 119 CO 1.15 0.33 0.18 -0.55 0.02 0.00 0.00 177.57 178.70 1xpw s SER 120 N -6.04 -0.00 0.29 0.57 0.15 -1.26 -3.76 113.70 103.65 1xpw s SER 120 Ca -0.14 -0.99 -0.03 0.00 0.70 0.00 0.00 55.95 55.49 1xpw s SER 120 Cb 0.07 0.77 -0.01 0.00 -1.71 0.00 0.00 66.02 65.13 1xpw s SER 120 CO 0.75 -1.50 0.37 0.00 1.20 0.00 0.00 173.24 174.07 1xpw s ALA 121 N -3.05 0.77 -0.68 5.45 0.00 -1.26 -0.59 121.76 122.40 1xpw s ALA 121 Ca 0.16 -1.48 0.26 0.00 0.00 0.00 0.00 51.96 50.89 1xpw s ALA 121 Cb -0.05 1.23 0.79 0.00 0.00 0.00 0.00 23.12 25.09 1xpw s ALA 121 CO 0.11 -0.74 1.76 0.74 0.00 0.00 0.00 175.76 177.62 1xpw h PHE 122 N 2.27 0.00 -3.82 0.00 0.04 -1.90 -3.44 116.94 110.09 1xpw h PHE 122 Ca -0.29 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.23 1xpw h PHE 122 Cb 1.24 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.25 1xpw h PHE 122 CO 1.00 0.00 -0.68 0.34 -0.60 0.00 0.00 178.31 178.37 1xpw s ASP 123 N -4.68 1.14 0.54 2.17 2.15 -1.26 -5.04 116.67 111.70 1xpw s ASP 123 Ca 0.10 -1.09 0.33 0.00 0.43 0.00 0.00 52.55 52.32 1xpw s ASP 123 Cb 0.11 0.11 1.31 0.00 -0.30 0.00 0.00 42.92 44.16 1xpw s ASP 123 CO 0.59 -0.52 1.96 -0.74 -0.17 0.00 0.00 175.17 176.29 1xpw h HIS 124 N 2.84 0.00 -3.13 -5.34 6.17 -1.97 -3.40 115.15 110.32 1xpw h HIS 124 Ca -0.36 0.00 -0.66 0.00 0.71 0.00 0.00 60.37 60.06 1xpw h HIS 124 Cb 1.18 0.00 -0.35 0.00 2.52 0.00 0.00 27.41 30.77 1xpw h HIS 124 CO 0.56 0.01 -0.86 -0.06 0.71 0.00 0.00 177.93 178.29 1xpw s PHE 125 N -3.65 2.66 0.26 5.26 0.08 -1.26 -3.71 117.98 117.61 1xpw s PHE 125 Ca 0.01 -1.47 0.08 0.00 0.12 0.00 0.00 56.93 55.67 1xpw s PHE 125 Cb 0.09 -1.84 -0.04 0.00 -0.57 0.00 0.00 43.02 40.66 1xpw s PHE 125 CO 0.55 -0.71 0.12 0.00 -0.10 0.00 0.00 175.22 175.09 1xpw s ALA 126 N 1.09 3.43 -0.05 5.36 0.00 -1.26 -4.95 121.76 125.39 1xpw s ALA 126 Ca -0.00 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.45 1xpw s ALA 126 Cb -0.14 -1.11 0.03 0.00 0.00 0.00 0.00 23.12 21.90 1xpw s ALA 126 CO -0.08 0.26 -0.01 0.45 0.00 0.00 0.00 175.76 176.38 1xpw s SER 127 N -3.77 0.98 -0.08 0.00 0.15 -1.23 -2.08 113.70 107.67 1xpw s SER 127 Ca 0.32 -0.08 0.01 0.00 0.70 0.00 0.00 55.95 56.90 1xpw s SER 127 Cb -0.07 -0.37 0.02 0.00 -1.71 0.00 0.00 66.02 63.89 1xpw s SER 127 CO 0.23 -0.12 -0.08 0.54 1.20 0.00 0.00 173.24 175.01 1xpw s VAL 128 N 1.30 0.93 -0.13 4.45 0.11 -1.11 0.29 120.40 126.23 1xpw s VAL 128 Ca -0.05 -0.30 -0.20 0.00 -2.93 0.00 0.00 61.98 58.50 1xpw s VAL 128 Cb -0.13 -0.92 -0.25 0.00 -1.53 0.00 0.00 36.38 33.55 1xpw s VAL 128 CO -0.02 0.33 0.54 -0.74 -3.33 0.00 0.00 175.10 171.88 1xpw h HIS 129 N 7.56 0.26 -1.94 1.54 2.76 -1.02 -3.01 115.15 121.29 1xpw h HIS 129 Ca -0.31 -0.19 0.01 0.00 -2.20 0.00 0.00 60.37 57.68 1xpw h HIS 129 Cb 1.16 -0.01 -0.22 0.00 1.55 0.00 0.00 27.41 29.89 1xpw h HIS 129 CO 0.48 1.41 0.11 -1.12 -1.30 0.00 0.00 177.93 177.52 1xpw s SER 130 N -6.83 -0.81 -0.58 3.26 0.01 -1.17 -3.45 113.70 104.12 1xpw s SER 130 Ca -0.21 1.40 -0.00 0.00 1.31 0.00 0.00 55.95 58.45 1xpw s SER 130 Cb 0.03 1.37 0.15 0.00 0.21 0.00 0.00 66.02 67.78 1xpw s SER 130 CO 0.71 -0.23 0.36 0.68 0.41 0.00 0.00 173.24 175.17 1xpw s VAL 131 N 1.08 3.24 0.22 3.43 -7.23 -1.25 -0.77 120.40 119.12 1xpw s VAL 131 Ca -0.06 -3.09 -0.03 0.00 -1.81 0.00 0.00 61.98 57.00 1xpw s VAL 131 Cb -0.05 -3.16 -0.05 0.00 0.56 0.00 0.00 36.38 33.68 1xpw s VAL 131 CO -0.11 -0.84 0.44 -0.44 -0.31 0.00 0.00 175.10 173.84 1xpw s SER 132 N 0.31 6.43 -0.20 4.85 0.01 -0.36 -4.82 113.70 119.92 1xpw s SER 132 Ca 0.17 0.54 -0.01 0.00 1.31 0.00 0.00 55.95 57.96 1xpw s SER 132 Cb -0.22 -2.07 0.01 0.00 0.21 0.00 0.00 66.02 63.94 1xpw s SER 132 CO -0.02 -0.07 -0.12 0.00 0.41 0.00 0.00 173.24 173.43 1xpw s ALA 133 N -1.89 2.57 0.07 1.44 0.00 -1.26 -1.25 121.76 121.43 1xpw s ALA 133 Ca 0.41 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 51.18 1xpw s ALA 133 Cb -0.11 -1.44 -0.04 0.00 0.00 0.00 0.00 23.12 21.53 1xpw s ALA 133 CO 0.28 -0.41 0.14 -1.21 0.00 0.00 0.00 175.76 174.57 1xpw s GLU 134 N 1.38 3.15 0.00 0.00 2.02 0.57 0.01 118.70 125.83 1xpw s GLU 134 Ca 0.05 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 54.47 1xpw s GLU 134 Cb -0.14 -2.88 0.00 0.00 0.10 0.00 0.00 34.13 31.21 1xpw s GLU 134 CO -0.08 0.59 0.00 0.41 0.02 0.00 0.00 175.26 176.20 1xpw n GLY 135 N 0.38 -0.33 3.15 -1.39 0.00 -1.16 0.21 105.19 106.04 1xpw n GLY 135 Ca -0.07 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.06 0.11 -0.28 2.61 -4.23 -0.88 -3.97 115.64 105.95 1xpw s THR 136 Ca 0.00 -0.93 -0.27 0.00 -1.18 0.00 0.00 61.69 59.31 1xpw s THR 136 Cb 0.00 -0.83 0.01 0.00 1.34 0.00 0.00 72.50 73.02 1xpw s THR 136 CO 0.00 -0.51 0.95 -0.69 -0.54 0.00 0.00 174.62 173.83 1xpw s VAL 137 N -2.38 4.69 -0.16 2.29 1.01 -1.26 -0.56 120.40 124.03 1xpw s VAL 137 Ca -0.07 1.65 -0.01 0.00 0.00 0.00 0.00 61.98 63.55 1xpw s VAL 137 Cb -0.02 -4.27 -0.23 0.00 0.00 0.00 0.00 36.38 31.86 1xpw s VAL 137 CO -0.03 -0.27 0.21 0.52 0.00 0.00 0.00 175.10 175.53 1xpw n VAL 138 N 5.53 1.66 -4.08 2.92 0.31 -0.84 -4.94 118.33 118.88 1xpw n VAL 138 Ca 0.09 -0.66 -0.14 0.00 -0.01 0.00 0.00 64.34 63.62 1xpw n VAL 138 Cb 0.47 -1.49 -0.12 0.00 -0.91 0.00 0.00 33.84 31.80 1xpw n VAL 138 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1xpw s SER 139 N -6.69 1.00 0.57 4.52 0.15 -0.18 -5.04 113.70 108.02 1xpw s SER 139 Ca -0.23 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 55.86 1xpw s SER 139 Cb 0.07 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 1xpw s SER 139 CO 0.73 -0.18 0.00 0.59 1.20 0.00 0.00 173.24 175.58 1xpw n ASN 140 N 1.46 -0.17 -4.68 5.45 4.13 -1.26 -2.57 115.26 117.61 1xpw n ASN 140 Ca -0.22 -0.48 -0.50 0.00 1.68 0.00 0.00 54.58 55.05 1xpw n ASN 140 Cb 0.55 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.73 1xpw n ASN 140 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1xpw n LEU 141 N 0.00 3.01 -4.55 3.41 0.00 -1.26 -3.51 117.00 114.10 1xpw n LEU 141 Ca 0.00 1.03 -0.39 0.00 0.00 0.00 0.00 56.01 56.65 1xpw n LEU 141 Cb 0.00 -1.31 -0.03 0.00 0.00 0.00 0.00 43.42 42.07 1xpw n LEU 141 CO 0.00 -0.25 1.35 -0.94 0.00 0.00 0.00 177.39 177.55 1xpw s SER 142 N 3.15 5.91 0.00 1.96 1.04 0.55 -4.93 113.70 121.37 1xpw s SER 142 Ca 0.91 -0.48 0.18 0.00 0.48 0.00 0.00 55.95 57.04 1xpw s SER 142 Cb -0.79 -2.55 1.08 0.00 0.10 0.00 0.00 66.02 63.85 1xpw s SER 142 CO 0.52 -2.00 1.48 -1.54 0.98 0.00 0.00 173.24 172.68