#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 -3.19 -2.95 2.12 0.63 -1.25 -4.75 116.66 107.27 1xpw n ARG 2 Ca 0.00 2.39 -0.19 0.00 -0.92 0.00 0.00 57.85 59.13 1xpw n ARG 2 Cb 0.00 -2.47 0.03 0.00 0.45 0.00 0.00 32.46 30.47 1xpw n ARG 2 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1xpw n LYS 3 N 0.65 -4.41 -3.59 -0.14 4.81 0.32 -4.94 118.16 110.87 1xpw n LYS 3 Ca 0.00 0.78 -0.38 0.00 -0.87 0.00 0.00 58.31 57.84 1xpw n LYS 3 Cb 0.00 -5.37 -0.06 0.00 0.02 0.00 0.00 35.03 29.62 1xpw n LYS 3 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1xpw s ILE 4 N -3.10 5.19 -0.32 3.15 2.07 -1.09 -4.68 121.20 122.42 1xpw s ILE 4 Ca 0.28 0.65 -0.29 0.00 -1.41 0.00 0.00 60.65 59.88 1xpw s ILE 4 Cb -0.12 -3.63 -0.01 0.00 0.13 0.00 0.00 42.46 38.83 1xpw s ILE 4 CO 0.34 0.55 1.60 -0.62 -1.91 0.00 0.00 174.94 174.90 1xpw s ASP 5 N -0.78 6.22 0.00 4.50 -1.08 -1.26 -2.61 116.67 121.66 1xpw s ASP 5 Ca 0.21 1.25 0.24 0.00 -0.52 0.00 0.00 52.55 53.73 1xpw s ASP 5 Cb -0.15 -2.53 0.32 0.00 -1.46 0.00 0.00 42.92 39.10 1xpw s ASP 5 CO 0.10 -1.45 1.33 0.18 0.52 0.00 0.00 175.17 175.85 1xpw n LEU 6 N 9.11 2.91 -0.41 -1.34 4.77 0.80 -4.06 117.00 128.78 1xpw n LEU 6 Ca 0.19 -1.02 0.12 0.00 -0.03 0.00 0.00 56.01 55.27 1xpw n LEU 6 Cb 0.47 -0.04 0.25 0.00 -2.33 0.00 0.00 43.42 41.77 1xpw n LEU 6 CO 0.67 0.51 0.57 0.00 -1.33 0.00 0.00 177.39 177.81 1xpw s LEU 8 N -2.40 4.35 0.54 0.00 1.43 -1.26 -4.75 118.68 116.60 1xpw s LEU 8 Ca 0.24 2.75 0.35 0.00 -1.03 0.00 0.00 54.13 56.45 1xpw s LEU 8 Cb 0.19 -3.72 1.66 0.00 0.03 0.00 0.00 46.19 44.35 1xpw s LEU 8 CO 0.50 -0.68 2.06 -1.28 0.23 0.00 0.00 176.35 177.17 1xpw h SER 9 N 3.12 0.00 1.80 2.29 0.87 -1.77 -0.84 113.55 119.02 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 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1xpw h SER 9 CO 0.64 0.00 0.00 0.77 -0.53 0.00 0.00 176.83 177.71 1xpw h SER 10 N 0.00 0.00 0.92 6.23 4.64 -1.85 -2.50 113.55 120.98 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 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1xpw h SER 10 CO 0.00 0.00 -0.14 -0.62 -0.87 0.00 0.00 176.83 175.20 1xpw n GLU 11 N -2.97 0.03 0.00 4.77 -0.58 -0.34 -4.90 120.64 116.66 1xpw n GLU 11 Ca 0.04 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1xpw n GLU 11 Cb 0.49 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 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 1.48 0.80 3.77 0.62 0.00 -0.94 -4.95 105.19 105.96 1xpw n GLY 12 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.17 7.38 0.46 1.61 0.01 -1.13 -4.53 113.70 115.33 1xpw s SER 13 Ca 0.00 1.64 0.03 0.00 1.31 0.00 0.00 55.95 58.92 1xpw s SER 13 Cb 0.00 -2.50 -0.01 0.00 0.21 0.00 0.00 66.02 63.71 1xpw s SER 13 CO 0.00 0.16 0.09 -1.61 0.41 0.00 0.00 173.24 172.29 1xpw s GLU 14 N -0.91 2.08 0.12 12.44 2.02 0.45 -3.95 118.70 130.95 1xpw s GLU 14 Ca 0.37 -2.31 0.11 0.00 0.02 0.00 0.00 54.97 53.16 1xpw s GLU 14 Cb -0.23 -0.92 -0.04 0.00 0.10 0.00 0.00 34.13 33.04 1xpw s GLU 14 CO 0.26 -0.48 -0.26 0.14 0.02 0.00 0.00 175.26 174.94 1xpw s VAL 15 N -3.07 2.34 0.04 2.63 -7.23 -1.26 -0.41 120.40 113.44 1xpw s VAL 15 Ca 0.15 -1.71 -0.02 0.00 -1.81 0.00 0.00 61.98 58.59 1xpw s VAL 15 Cb 0.01 -2.03 -0.03 0.00 0.56 0.00 0.00 36.38 34.89 1xpw s VAL 15 CO 0.10 0.10 0.01 -0.51 -0.31 0.00 0.00 175.10 174.49 1xpw s ILE 16 N -1.06 0.17 0.00 -0.62 2.07 0.50 -4.90 121.20 117.36 1xpw s ILE 16 Ca 0.14 -1.38 0.00 0.00 -1.41 0.00 0.00 60.65 58.00 1xpw s ILE 16 Cb -0.10 -1.04 0.00 0.00 0.13 0.00 0.00 42.46 41.45 1xpw s ILE 16 CO 0.06 -0.76 0.00 -0.11 -1.91 0.00 0.00 174.94 172.22 1xpw n LEU 17 N 0.65 0.00 -2.79 8.50 0.00 -1.26 -2.23 117.00 119.86 1xpw n LEU 17 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 55.82 1xpw n LEU 17 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 44.00 1xpw n LEU 17 CO 0.24 0.00 -0.51 0.00 0.00 0.00 0.00 177.39 177.12 1xpw n ALA 18 N 3.35 -3.15 0.19 1.96 0.00 -1.23 -4.94 120.51 116.70 1xpw n ALA 18 Ca 0.00 0.85 -0.15 0.00 0.00 0.00 0.00 53.44 54.15 1xpw n ALA 18 Cb 0.00 -1.79 -0.08 0.00 0.00 0.00 0.00 19.45 17.58 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 3.54 0.69 -1.54 0.00 2.02 -0.91 -3.32 112.91 113.39 1xpw h THR 19 Ca -0.14 -0.10 -0.70 0.00 0.77 0.00 0.00 66.41 66.24 1xpw h THR 19 Cb 0.47 0.75 -0.13 0.00 -1.74 0.00 0.00 68.15 67.49 1xpw h THR 19 CO 0.06 0.02 1.72 -0.44 0.37 0.00 0.00 175.52 177.24 1xpw s SER 20 N -4.85 6.91 -0.26 4.18 0.01 -1.26 -4.96 113.70 113.46 1xpw s SER 20 Ca -0.15 -2.61 -0.09 0.00 1.31 0.00 0.00 55.95 54.40 1xpw s SER 20 Cb 0.04 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 1xpw s SER 20 CO 0.63 -1.00 0.13 -0.94 0.41 0.00 0.00 173.24 172.48 1xpw s SER 21 N 3.62 5.60 -0.05 2.44 1.04 -1.25 -4.88 113.70 120.22 1xpw s SER 21 Ca 0.47 -0.10 -0.08 0.00 0.48 0.00 0.00 55.95 56.72 1xpw s SER 21 Cb 0.00 -2.03 -0.05 0.00 0.10 0.00 0.00 66.02 64.05 1xpw s SER 21 CO 0.02 -0.04 0.24 -0.62 0.98 0.00 0.00 173.24 173.83 1xpw s ASP 22 N 1.67 6.51 0.00 7.02 2.15 -1.26 -5.01 116.67 127.76 1xpw s ASP 22 Ca 0.07 0.60 0.25 0.00 0.43 0.00 0.00 52.55 53.89 1xpw s ASP 22 Cb -0.16 -2.11 0.40 0.00 -0.30 0.00 0.00 42.92 40.75 1xpw s ASP 22 CO 0.07 0.33 1.34 -0.62 -0.17 0.00 0.00 175.17 176.12 1xpw n GLU 23 N 1.61 0.82 -0.10 4.34 1.02 -1.26 -3.41 120.64 123.64 1xpw n GLU 23 Ca -0.15 -0.58 -0.11 0.00 -0.02 0.00 0.00 57.16 56.30 1xpw n GLU 23 Cb 0.54 -1.49 -0.15 0.00 -0.02 0.00 0.00 31.44 30.32 1xpw n GLU 23 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1xpw n LYS 24 N -0.59 0.71 -3.91 3.49 5.02 -1.26 -4.66 118.16 116.95 1xpw n LYS 24 Ca 0.10 0.02 -0.29 0.00 -2.02 0.00 0.00 58.31 56.12 1xpw n LYS 24 Cb 0.39 -1.52 -0.13 0.00 -0.02 0.00 0.00 35.03 33.75 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 -2.49 3.22 0.63 2.13 3.76 -1.25 -5.11 115.29 116.18 1xpw s HIS 25 Ca -0.14 -3.18 -0.14 0.00 -0.15 0.00 0.00 55.06 51.44 1xpw s HIS 25 Cb 0.06 -2.70 -0.02 0.00 1.11 0.00 0.00 32.58 31.04 1xpw s HIS 25 CO 0.78 -0.67 1.07 -2.14 -0.85 0.00 0.00 174.74 172.92 1xpw s PRO 26 N -0.67 3.13 0.27 8.40 0.02 -1.22 -4.23 135.00 140.69 1xpw s PRO 26 Ca 0.20 1.18 0.17 0.00 0.02 0.00 0.00 61.00 62.57 1xpw s PRO 26 Cb -0.18 -2.01 0.93 0.00 0.02 0.00 0.00 34.50 33.26 1xpw s PRO 26 CO -0.06 -0.96 1.51 -2.30 -0.33 0.00 0.00 177.00 174.85 1xpw n PRO 27 N -2.37 0.11 0.33 5.54 -0.02 -1.26 -0.64 135.00 136.69 1xpw n PRO 27 Ca 0.09 0.60 0.21 0.00 -2.02 0.00 0.00 63.50 62.38 1xpw n PRO 27 Cb 0.53 -1.90 1.15 0.00 -0.02 0.00 0.00 33.50 33.26 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 3.07 -1.94 -0.95 114.58 114.24 1xpw h GLU 28 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1xpw h GLU 28 Cb 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 1xpw h GLU 28 CO 0.00 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.70 1xpw n ASN 29 N -3.21 0.00 0.09 1.42 5.03 0.18 -2.89 115.26 115.88 1xpw n ASN 29 Ca -0.03 -1.10 -0.06 0.00 0.87 0.00 0.00 54.58 54.26 1xpw n ASN 29 Cb 0.09 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 38.83 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 0.00 1.58 0.00 2.41 2.04 -1.37 -3.24 117.51 118.93 1xpw h ILE 30 Ca 0.00 -2.86 0.00 0.00 1.00 0.00 0.00 64.86 63.00 1xpw h ILE 30 Cb 0.00 2.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.65 1xpw h ILE 30 CO 0.00 0.82 0.00 2.30 0.00 0.00 0.00 178.15 181.27 1xpw n ILE 31 N -3.56 0.00 0.00 -0.67 -5.35 -1.14 -3.88 119.36 104.76 1xpw n ILE 31 Ca -0.01 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 1xpw n ILE 31 Cb 0.82 -0.20 0.00 0.00 -1.74 0.00 0.00 39.64 38.52 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 -0.35 0.00 0.00 7.28 2.03 -1.14 -3.74 116.55 120.62 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 0.71 2.76 0.27 0.00 -1.26 -4.41 105.19 103.26 1xpw n GLY 33 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1xpw n GLY 33 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xpw s ASN 34 N -1.72 1.33 0.00 1.61 3.04 -1.25 -5.04 114.94 112.91 1xpw s ASN 34 Ca 0.00 -0.09 0.00 0.00 0.04 0.00 0.00 52.86 52.81 1xpw s ASN 34 Cb 0.00 0.22 0.00 0.00 -1.54 0.00 0.00 41.25 39.93 1xpw s ASN 34 CO 0.00 -0.30 0.39 -2.65 -3.04 0.00 0.00 177.10 171.50 1xpw n PRO 35 N 5.31 0.73 -0.04 0.43 -0.02 -1.26 -3.70 135.00 136.45 1xpw n PRO 35 Ca -0.05 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.28 1xpw n PRO 35 Cb 0.50 -1.34 -0.08 0.00 -0.02 0.00 0.00 33.50 32.56 1xpw n PRO 35 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1xpw h GLU 36 N 0.25 0.34 -6.50 -0.52 4.81 -1.96 -3.44 114.58 107.57 1xpw h GLU 36 Ca 0.00 -0.23 -0.52 0.00 -0.13 0.00 0.00 59.36 58.47 1xpw h GLU 36 Cb 0.34 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1xpw h GLU 36 CO 0.00 0.84 -0.12 0.95 -0.73 0.00 0.00 179.01 179.95 1xpw s THR 37 N -3.91 4.98 0.04 0.32 -4.23 -1.24 -5.10 115.64 106.50 1xpw s THR 37 Ca -0.14 0.21 -0.20 0.00 -1.18 0.00 0.00 61.69 60.38 1xpw s THR 37 Cb 0.04 -3.70 0.04 0.00 1.34 0.00 0.00 72.50 70.22 1xpw s THR 37 CO 0.76 -0.26 0.45 0.72 -0.54 0.00 0.00 174.62 175.75 1xpw s PHE 38 N -2.03 -0.32 -0.21 3.99 -0.71 -1.25 -4.80 117.98 112.66 1xpw s PHE 38 Ca 0.45 0.33 -0.15 0.00 -1.04 0.00 0.00 56.93 56.53 1xpw s PHE 38 Cb -0.11 0.25 -0.04 0.00 -1.21 0.00 0.00 43.02 41.91 1xpw s PHE 38 CO 0.28 -0.58 0.34 -0.46 -1.34 0.00 0.00 175.22 173.46 1xpw s TRP 39 N -2.33 3.37 0.26 3.49 -0.00 -1.22 -4.85 118.94 117.65 1xpw s TRP 39 Ca -0.06 0.53 0.10 0.00 -0.00 0.00 0.00 56.10 56.67 1xpw s TRP 39 Cb -0.01 -2.46 -0.04 0.00 -0.00 0.00 0.00 33.47 30.96 1xpw s TRP 39 CO -0.01 0.02 -0.04 -0.08 -0.00 0.00 0.00 176.95 176.84 1xpw s THR 40 N 1.20 3.30 -0.22 5.86 -1.32 -1.26 -2.73 115.64 120.47 1xpw s THR 40 Ca 0.16 -1.94 -0.16 0.00 -1.21 0.00 0.00 61.69 58.55 1xpw s THR 40 Cb -0.14 -2.74 -0.04 0.00 -1.51 0.00 0.00 72.50 68.07 1xpw s THR 40 CO 0.07 -0.34 0.40 -0.89 -2.21 0.00 0.00 174.62 171.64 1xpw s THR 41 N -2.26 5.19 -0.28 5.08 2.01 0.33 -4.84 115.64 120.86 1xpw s THR 41 Ca 0.30 0.68 0.00 0.00 0.31 0.00 0.00 61.69 62.98 1xpw s THR 41 Cb -0.07 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.73 1xpw s THR 41 CO 0.19 0.23 0.87 0.35 -0.69 0.00 0.00 174.62 175.56 1xpw n THR 42 N 4.53 0.75 0.00 -0.82 -2.24 -1.26 -4.35 114.28 110.89 1xpw n THR 42 Ca -0.08 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1xpw n THR 42 Cb 0.51 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 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 0.35 2.04 3.50 3.38 0.00 -1.25 -4.99 105.19 108.22 1xpw n GLY 43 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.40 3.26 0.10 1.61 -2.45 -1.26 -4.86 119.30 115.29 1xpw s MET 44 Ca 0.00 -0.42 0.04 0.00 -1.25 0.00 0.00 55.69 54.06 1xpw s MET 44 Cb 0.00 -4.11 -0.04 0.00 1.25 0.00 0.00 34.83 31.93 1xpw s MET 44 CO 0.00 -1.61 0.07 -0.06 1.05 0.00 0.00 175.02 174.46 1xpw s PHE 45 N 4.08 3.13 0.67 4.11 0.40 -1.26 -4.17 117.98 124.93 1xpw s PHE 45 Ca 0.28 0.03 -0.11 0.00 -0.60 0.00 0.00 56.93 56.54 1xpw s PHE 45 Cb -0.13 -1.58 -0.01 0.00 0.51 0.00 0.00 43.02 41.81 1xpw s PHE 45 CO 0.16 0.51 1.05 -2.14 0.70 0.00 0.00 175.22 175.51 1xpw s PRO 46 N -2.50 3.18 -0.13 0.24 0.02 -1.26 -5.09 135.00 129.47 1xpw s PRO 46 Ca 0.29 0.75 0.02 0.00 0.02 0.00 0.00 61.00 62.08 1xpw s PRO 46 Cb -0.12 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.37 1xpw s PRO 46 CO 0.21 -0.87 -0.21 1.14 -0.33 0.00 0.00 177.00 176.94 1xpw s GLN 47 N -5.17 3.09 -0.08 5.54 -2.07 -0.43 -4.87 119.66 115.67 1xpw s GLN 47 Ca 0.57 -0.83 0.04 0.00 -1.82 0.00 0.00 55.36 53.32 1xpw s GLN 47 Cb -0.12 -2.44 -0.01 0.00 -1.09 0.00 0.00 33.01 29.35 1xpw s GLN 47 CO 0.54 0.06 -0.22 -1.21 -1.32 0.00 0.00 175.29 173.14 1xpw s GLU 48 N 0.65 2.80 -0.06 9.60 2.02 -1.26 -0.48 118.70 131.98 1xpw s GLU 48 Ca -0.10 -0.85 -0.08 0.00 0.02 0.00 0.00 54.97 53.96 1xpw s GLU 48 Cb -0.16 -2.28 0.02 0.00 0.10 0.00 0.00 34.13 31.80 1xpw s GLU 48 CO 0.02 0.32 0.20 -0.59 0.02 0.00 0.00 175.26 175.23 1xpw s PHE 49 N 0.00 -0.17 -0.08 1.61 -0.71 -0.52 -0.17 117.98 117.93 1xpw s PHE 49 Ca -0.08 0.39 0.02 0.00 -1.04 0.00 0.00 56.93 56.23 1xpw s PHE 49 Cb -0.15 0.05 -0.02 0.00 -1.21 0.00 0.00 43.02 41.69 1xpw s PHE 49 CO 0.05 -0.17 -0.15 0.42 -1.34 0.00 0.00 175.22 174.04 1xpw s ILE 50 N -0.30 2.96 -0.20 -4.49 1.01 -0.95 -0.44 121.20 118.78 1xpw s ILE 50 Ca -0.04 -0.73 -0.06 0.00 0.00 0.00 0.00 60.65 59.81 1xpw s ILE 50 Cb -0.03 -2.19 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 1xpw s ILE 50 CO 0.01 0.56 0.04 -0.63 0.00 0.00 0.00 174.94 174.92 1xpw s ILE 51 N -0.22 4.40 -0.34 2.92 1.01 0.44 -0.37 121.20 129.04 1xpw s ILE 51 Ca 0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 60.65 60.37 1xpw s ILE 51 Cb -0.13 -3.00 -0.00 0.00 0.01 0.00 0.00 42.46 39.34 1xpw s ILE 51 CO 0.03 0.43 0.21 0.00 0.00 0.00 0.00 174.94 175.61 1xpw h PHE 53 N 8.45 0.00 0.00 0.00 0.04 -1.45 0.13 116.94 124.11 1xpw h PHE 53 Ca -0.30 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.47 1xpw h PHE 53 Cb 1.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.29 1xpw h PHE 53 CO 0.63 0.00 0.00 0.72 -0.60 0.00 0.00 178.31 179.06 1xpw n HIS 54 N -2.56 0.00 -3.91 -0.55 8.25 -1.26 -4.20 115.22 110.99 1xpw n HIS 54 Ca 0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.41 1xpw n HIS 54 Cb 0.43 -0.65 -0.05 0.00 1.12 0.00 0.00 29.99 30.84 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 -0.23 1.37 -0.15 -0.41 -2.85 -1.26 -5.02 119.74 111.19 1xpw s LYS 55 Ca 0.00 -1.11 -0.27 0.00 -1.00 0.00 0.00 55.97 53.59 1xpw s LYS 55 Cb 0.00 0.46 -0.01 0.00 -2.06 0.00 0.00 37.83 36.21 1xpw s LYS 55 CO 0.00 -0.56 0.90 -1.01 0.10 0.00 0.00 175.35 174.79 1xpw s HIS 56 N -3.96 3.45 0.00 1.78 3.76 -1.26 -4.49 115.29 114.57 1xpw s HIS 56 Ca 0.17 1.38 0.04 0.00 -0.15 0.00 0.00 55.06 56.50 1xpw s HIS 56 Cb 0.00 -3.09 -0.01 0.00 1.11 0.00 0.00 32.58 30.60 1xpw s HIS 56 CO 0.03 -0.24 -0.13 0.14 -0.85 0.00 0.00 174.74 173.68 1xpw s VAL 57 N 2.15 1.01 -0.35 -0.90 -7.23 -1.08 -0.89 120.40 113.10 1xpw s VAL 57 Ca 0.42 -0.66 -0.22 0.00 -1.81 0.00 0.00 61.98 59.71 1xpw s VAL 57 Cb -0.17 -0.86 0.00 0.00 0.56 0.00 0.00 36.38 35.91 1xpw s VAL 57 CO 0.14 0.19 0.69 -0.60 -0.31 0.00 0.00 175.10 175.22 1xpw s ARG 58 N -0.53 3.72 -0.22 4.82 3.52 0.45 -2.44 118.95 128.28 1xpw s ARG 58 Ca 0.04 0.18 -0.12 0.00 -0.13 0.00 0.00 55.73 55.69 1xpw s ARG 58 Cb -0.06 -3.80 -0.05 0.00 -1.56 0.00 0.00 34.95 29.48 1xpw s ARG 58 CO -0.00 -0.77 0.23 0.42 -0.81 0.00 0.00 175.30 174.37 1xpw s ILE 59 N 2.85 5.32 -0.15 4.11 1.01 0.36 -1.53 121.20 133.17 1xpw s ILE 59 Ca 0.27 0.35 0.04 0.00 0.00 0.00 0.00 60.65 61.32 1xpw s ILE 59 Cb -0.14 -3.57 -0.12 0.00 0.01 0.00 0.00 42.46 38.64 1xpw s ILE 59 CO 0.15 0.34 -0.08 1.21 0.00 0.00 0.00 174.94 176.56 1xpw n GLU 60 N 4.15 0.89 -4.02 2.79 2.13 -0.16 -1.07 120.64 125.35 1xpw n GLU 60 Ca -0.13 0.06 -0.13 0.00 0.66 0.00 0.00 57.16 57.62 1xpw n GLU 60 Cb 0.52 -1.32 -0.13 0.00 0.27 0.00 0.00 31.44 30.77 1xpw n GLU 60 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1xpw s ARG 61 N -2.31 0.27 -0.32 5.31 0.52 -0.62 -0.20 118.95 121.60 1xpw s ARG 61 Ca -0.17 -0.25 -0.06 0.00 -0.52 0.00 0.00 55.73 54.74 1xpw s ARG 61 Cb 0.05 -0.19 0.03 0.00 0.52 0.00 0.00 34.95 35.36 1xpw s ARG 61 CO 0.41 0.04 0.08 -0.51 0.02 0.00 0.00 175.30 175.35 1xpw s LEU 62 N -0.44 4.07 -0.67 2.53 1.02 0.48 -0.41 118.68 125.26 1xpw s LEU 62 Ca -0.02 -1.01 -0.21 0.00 0.02 0.00 0.00 54.13 52.91 1xpw s LEU 62 Cb -0.03 -1.84 0.09 0.00 0.02 0.00 0.00 46.19 44.42 1xpw s LEU 62 CO -0.00 -0.27 0.88 -0.69 0.02 0.00 0.00 176.35 176.29 1xpw s VAL 63 N 1.41 4.58 -0.36 -1.59 1.01 0.49 -0.36 120.40 125.58 1xpw s VAL 63 Ca -0.01 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.08 1xpw s VAL 63 Cb -0.19 -4.62 0.01 0.00 0.00 0.00 0.00 36.38 31.58 1xpw s VAL 63 CO 0.02 -1.33 0.23 -0.63 0.00 0.00 0.00 175.10 173.38 1xpw s ILE 64 N 3.32 4.93 -0.44 2.22 -1.09 -0.62 -1.07 121.20 128.44 1xpw s ILE 64 Ca 0.19 -0.56 -0.08 0.00 -2.23 0.00 0.00 60.65 57.97 1xpw s ILE 64 Cb -0.18 -3.64 0.10 0.00 -1.58 0.00 0.00 42.46 37.15 1xpw s ILE 64 CO 0.06 -0.13 0.29 -1.58 -1.23 0.00 0.00 174.94 172.35 1xpw s GLN 65 N 1.64 2.48 0.33 2.79 0.74 -0.19 -2.48 119.66 124.97 1xpw s GLN 65 Ca 0.04 -1.63 -0.07 0.00 0.05 0.00 0.00 55.36 53.75 1xpw s GLN 65 Cb -0.18 -3.82 0.01 0.00 1.10 0.00 0.00 33.01 30.12 1xpw s GLN 65 CO 0.08 -1.07 0.53 0.45 -0.55 0.00 0.00 175.29 174.74 1xpw s SER 66 N 2.33 0.51 0.03 6.67 0.15 -1.25 -1.07 113.70 121.08 1xpw s SER 66 Ca 0.05 -1.30 -0.02 0.00 0.70 0.00 0.00 55.95 55.38 1xpw s SER 66 Cb -0.24 0.68 -0.02 0.00 -1.71 0.00 0.00 66.02 64.73 1xpw s SER 66 CO 0.00 -1.34 0.01 -0.47 1.20 0.00 0.00 173.24 172.65 1xpw s TYR 67 N -3.13 0.30 0.00 3.44 6.14 -1.10 -3.92 117.35 119.08 1xpw s TYR 67 Ca 0.26 -0.65 0.00 0.00 0.64 0.00 0.00 57.07 57.32 1xpw s TYR 67 Cb -0.01 -0.22 0.00 0.00 0.42 0.00 0.00 41.96 42.14 1xpw s TYR 67 CO 0.16 -0.29 0.00 1.19 0.64 0.00 0.00 175.55 177.25 1xpw n PHE 68 N 0.97 0.00 -1.61 4.97 3.72 -1.26 -3.86 117.46 120.38 1xpw n PHE 68 Ca -0.20 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.80 1xpw n PHE 68 Cb 0.58 -0.03 0.03 0.00 -0.94 0.00 0.00 39.48 39.11 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 -0.76 2.88 0.03 -4.37 0.31 -1.26 -0.90 118.33 114.26 1xpw n VAL 69 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1xpw n VAL 69 Cb 0.00 -1.18 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 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 -0.28 0.00 -3.79 5.55 7.27 -0.81 -3.84 117.38 121.48 1xpw n GLN 70 Ca 0.11 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.81 1xpw n GLN 70 Cb 0.43 -0.31 -0.13 0.00 2.41 0.00 0.00 30.24 32.63 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 -1.64 3.88 -0.30 1.69 -4.23 -0.26 -0.02 115.64 114.75 1xpw s THR 71 Ca 0.00 -0.65 -0.00 0.00 -1.18 0.00 0.00 61.69 59.85 1xpw s THR 71 Cb 0.00 -2.96 0.06 0.00 1.34 0.00 0.00 72.50 70.94 1xpw s THR 71 CO 0.00 0.14 -0.01 -0.22 -0.54 0.00 0.00 174.62 173.99 1xpw s LEU 72 N 1.50 3.96 -0.19 4.79 2.96 0.44 -1.56 118.68 130.57 1xpw s LEU 72 Ca 0.03 -1.43 -0.20 0.00 -0.22 0.00 0.00 54.13 52.31 1xpw s LEU 72 Cb -0.17 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 1xpw s LEU 72 CO 0.02 -0.27 0.60 -0.75 -1.32 0.00 0.00 176.35 174.62 1xpw s LYS 73 N 1.18 4.23 -0.26 1.98 2.20 0.47 -0.37 119.74 129.17 1xpw s LYS 73 Ca -0.04 0.57 0.02 0.00 -0.36 0.00 0.00 55.97 56.17 1xpw s LYS 73 Cb -0.20 -3.56 0.06 0.00 -1.51 0.00 0.00 37.83 32.63 1xpw s LYS 73 CO -0.03 -0.17 -0.07 0.42 -0.36 0.00 0.00 175.35 175.14 1xpw s ILE 74 N 1.70 1.94 0.08 5.43 1.01 -0.72 -0.40 121.20 130.22 1xpw s ILE 74 Ca 0.28 -1.57 0.01 0.00 0.00 0.00 0.00 60.65 59.38 1xpw s ILE 74 Cb -0.16 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 1xpw s ILE 74 CO 0.11 -0.13 0.16 -1.61 0.00 0.00 0.00 174.94 173.47 1xpw s GLU 75 N 1.19 3.21 -0.06 2.79 8.01 -1.01 -1.01 118.70 131.82 1xpw s GLU 75 Ca -0.05 -0.56 -0.01 0.00 0.01 0.00 0.00 54.97 54.35 1xpw s GLU 75 Cb -0.19 -2.90 -0.03 0.00 -4.31 0.00 0.00 34.13 26.69 1xpw s GLU 75 CO -0.06 0.58 0.00 -1.59 0.01 0.00 0.00 175.26 174.21 1xpw s LYS 76 N -2.53 2.94 -0.05 1.61 -2.85 0.35 -2.25 119.74 116.96 1xpw s LYS 76 Ca 0.33 -0.45 0.00 0.00 -1.00 0.00 0.00 55.97 54.85 1xpw s LYS 76 Cb -0.12 -2.77 0.02 0.00 -2.06 0.00 0.00 37.83 32.90 1xpw s LYS 76 CO 0.26 0.68 -0.03 -1.12 0.10 0.00 0.00 175.35 175.24 1xpw s SER 77 N -1.05 1.03 0.00 0.03 0.01 -0.28 -0.48 113.70 112.96 1xpw s SER 77 Ca 0.15 -0.10 0.17 0.00 1.31 0.00 0.00 55.95 57.47 1xpw s SER 77 Cb -0.11 -0.42 0.03 0.00 0.21 0.00 0.00 66.02 65.72 1xpw s SER 77 CO 0.04 -0.09 0.90 0.35 0.41 0.00 0.00 173.24 174.85 1xpw n THR 78 N 4.32 0.00 -1.68 1.44 -2.24 -1.26 0.47 114.28 115.33 1xpw n THR 78 Ca -0.21 -0.37 -0.30 0.00 -2.27 0.00 0.00 64.05 60.90 1xpw n THR 78 Cb 0.51 1.23 0.06 0.00 -2.10 0.00 0.00 70.33 70.03 1xpw n THR 78 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1xpw s SER 79 N -1.82 5.07 0.22 3.42 0.01 -1.26 -4.62 113.70 114.72 1xpw s SER 79 Ca 0.15 1.31 0.24 0.00 1.31 0.00 0.00 55.95 58.96 1xpw s SER 79 Cb 0.13 -2.11 0.45 0.00 0.21 0.00 0.00 66.02 64.70 1xpw s SER 79 CO 0.37 -1.60 1.48 0.50 0.41 0.00 0.00 173.24 174.40 1xpw h LYS 80 N -0.83 0.00 -7.06 12.44 3.11 -1.93 -3.42 116.57 118.88 1xpw h LYS 80 Ca -0.46 0.00 -0.45 0.00 -2.81 0.00 0.00 60.65 56.94 1xpw h LYS 80 Cb 1.25 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.47 1xpw h LYS 80 CO 0.61 0.00 0.35 -1.21 -2.81 0.00 0.00 179.45 176.38 1xpw s GLU 81 N -3.18 4.15 0.00 1.90 8.01 -1.26 -4.94 118.70 123.38 1xpw s GLU 81 Ca 0.07 1.17 0.00 0.00 0.01 0.00 0.00 54.97 56.22 1xpw s GLU 81 Cb 0.11 -2.18 0.00 0.00 -4.31 0.00 0.00 34.13 27.75 1xpw s GLU 81 CO 0.68 -0.10 1.63 -0.35 0.01 0.00 0.00 175.26 177.13 1xpw n PRO 82 N -0.68 0.91 -2.94 0.39 -0.04 -1.26 -4.80 135.00 126.58 1xpw n PRO 82 Ca 0.07 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.45 1xpw n PRO 82 Cb 0.54 -1.05 -0.03 0.00 -0.04 0.00 0.00 33.50 32.92 1xpw n PRO 82 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1xpw n VAL 83 N 1.35 0.00 -2.57 0.52 0.24 -1.26 -5.01 118.33 111.60 1xpw n VAL 83 Ca 0.00 -0.99 -0.06 0.00 -2.04 0.00 0.00 64.34 61.25 1xpw n VAL 83 Cb 0.45 0.44 0.01 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 -2.25 -6.73 -4.22 -1.34 2.03 -1.26 -4.69 116.55 98.09 1xpw n ASP 84 Ca 0.01 0.46 -0.41 0.00 0.52 0.00 0.00 54.79 55.37 1xpw n ASP 84 Cb 0.25 -4.49 -0.09 0.00 -0.72 0.00 0.00 41.12 36.07 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 -2.23 3.41 -0.42 -0.67 0.08 -1.26 -4.21 117.98 112.68 1xpw s PHE 85 Ca 0.19 -1.83 -0.23 0.00 0.12 0.00 0.00 56.93 55.19 1xpw s PHE 85 Cb -0.05 -3.44 0.02 0.00 -0.57 0.00 0.00 43.02 38.97 1xpw s PHE 85 CO 0.61 -0.98 0.75 -2.00 -0.10 0.00 0.00 175.22 173.50 1xpw s GLU 86 N 1.37 3.51 -0.29 0.44 -6.30 0.37 -4.80 118.70 113.00 1xpw s GLU 86 Ca 0.05 -0.02 -0.37 0.00 -2.50 0.00 0.00 54.97 52.14 1xpw s GLU 86 Cb -0.26 -3.89 -0.13 0.00 0.00 0.00 0.00 34.13 29.85 1xpw s GLU 86 CO -0.00 -1.00 2.02 0.94 0.02 0.00 0.00 175.26 177.24 1xpw n GLN 87 N 6.52 1.27 0.00 4.30 7.27 -1.26 -0.50 117.38 134.98 1xpw n GLN 87 Ca 0.02 0.41 0.00 0.00 0.07 0.00 0.00 57.00 57.49 1xpw n GLN 87 Cb 0.48 -2.38 0.00 0.00 2.41 0.00 0.00 30.24 30.75 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 8.10 0.00 -3.61 3.69 -0.00 -0.18 -4.84 117.44 120.59 1xpw n TRP 88 Ca 0.34 0.00 -0.21 0.00 -0.00 0.00 0.00 57.50 57.63 1xpw n TRP 88 Cb 0.21 -0.13 -0.16 0.00 -0.00 0.00 0.00 31.31 31.23 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 -0.72 -0.18 -0.84 5.87 -4.36 -0.42 -5.03 121.20 115.52 1xpw s ILE 89 Ca 0.00 0.07 -0.25 0.00 -0.26 0.00 0.00 60.65 60.21 1xpw s ILE 89 Cb 0.00 -0.45 0.03 0.00 1.25 0.00 0.00 42.46 43.29 1xpw s ILE 89 CO 0.00 -0.09 1.40 -0.70 0.24 0.00 0.00 174.94 175.80 1xpw s GLU 90 N 2.22 3.27 -0.07 0.37 2.56 -1.26 -1.76 118.70 124.03 1xpw s GLU 90 Ca 0.04 -0.50 -0.05 0.00 0.00 0.00 0.00 54.97 54.46 1xpw s GLU 90 Cb -0.14 -4.64 -0.04 0.00 2.00 0.00 0.00 34.13 31.30 1xpw s GLU 90 CO -0.08 -2.26 0.16 0.21 -0.56 0.00 0.00 175.26 172.73 1xpw s LYS 91 N 5.60 3.43 -0.08 4.30 2.47 0.50 -4.94 119.74 131.02 1xpw s LYS 91 Ca 0.42 -0.23 -0.07 0.00 -1.56 0.00 0.00 55.97 54.53 1xpw s LYS 91 Cb -0.05 -3.14 -0.04 0.00 -1.46 0.00 0.00 37.83 33.14 1xpw s LYS 91 CO 0.06 0.73 0.19 0.16 0.16 0.00 0.00 175.35 176.64 1xpw s ASP 92 N -1.47 6.44 0.05 1.43 -4.77 -1.26 -0.42 116.67 116.67 1xpw s ASP 92 Ca 0.21 0.52 0.07 0.00 -3.30 0.00 0.00 52.55 50.04 1xpw s ASP 92 Cb -0.12 -2.08 -0.03 0.00 -1.09 0.00 0.00 42.92 39.60 1xpw s ASP 92 CO 0.11 0.37 -0.19 -0.22 0.70 0.00 0.00 175.17 175.94 1xpw s LEU 93 N -1.22 2.20 0.01 2.11 0.20 0.97 -4.95 118.68 117.99 1xpw s LEU 93 Ca 0.19 -0.54 0.08 0.00 0.69 0.00 0.00 54.13 54.55 1xpw s LEU 93 Cb -0.13 -0.85 -0.02 0.00 -0.43 0.00 0.00 46.19 44.76 1xpw s LEU 93 CO 0.08 0.10 -0.24 -0.69 -0.29 0.00 0.00 176.35 175.31 1xpw s VAL 94 N -0.90 2.24 -0.87 1.68 1.01 -1.25 -3.91 120.40 118.41 1xpw s VAL 94 Ca 0.05 -1.19 -0.25 0.00 0.00 0.00 0.00 61.98 60.60 1xpw s VAL 94 Cb -0.09 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 1xpw s VAL 94 CO 0.02 0.48 1.84 -2.28 0.00 0.00 0.00 175.10 175.16 1xpw s HIS 95 N -0.72 1.90 0.05 5.22 2.46 -1.26 -4.78 115.29 118.17 1xpw s HIS 95 Ca 0.11 0.42 -0.30 0.00 0.47 0.00 0.00 55.06 55.76 1xpw s HIS 95 Cb -0.10 -4.17 -0.04 0.00 -0.13 0.00 0.00 32.58 28.14 1xpw s HIS 95 CO 0.01 -1.88 1.03 0.95 -2.47 0.00 0.00 174.74 172.38 1xpw s THR 96 N 9.04 4.55 -0.08 0.89 -4.23 -1.26 -5.02 115.64 119.54 1xpw s THR 96 Ca 0.65 1.92 -0.26 0.00 -1.18 0.00 0.00 61.69 62.81 1xpw s THR 96 Cb -0.07 -4.23 -0.03 0.00 1.34 0.00 0.00 72.50 69.52 1xpw s THR 96 CO 0.02 0.20 0.85 -1.61 -0.54 0.00 0.00 174.62 173.53 1xpw s GLU 97 N 0.67 4.44 -1.47 3.99 2.02 -1.26 -3.48 118.70 123.61 1xpw s GLU 97 Ca 0.52 1.12 0.00 0.00 0.02 0.00 0.00 54.97 56.63 1xpw s GLU 97 Cb -0.24 -3.49 0.00 0.00 0.10 0.00 0.00 34.13 30.50 1xpw s GLU 97 CO 0.29 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.88 1xpw n GLY 98 N 3.13 1.38 2.78 -1.39 0.00 -1.26 -4.95 105.19 104.87 1xpw n GLY 98 Ca 0.03 -0.13 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.10 -0.03 -0.33 1.61 0.74 -1.23 -5.11 119.66 112.21 1xpw s GLN 99 Ca 0.00 0.26 -0.21 0.00 0.05 0.00 0.00 55.36 55.46 1xpw s GLN 99 Cb 0.00 -0.29 -0.00 0.00 1.10 0.00 0.00 33.01 33.82 1xpw s GLN 99 CO 0.00 -0.20 0.68 -1.17 -0.55 0.00 0.00 175.29 174.05 1xpw s LEU 100 N 1.32 4.17 -0.95 3.68 0.20 -1.26 -4.40 118.68 121.45 1xpw s LEU 100 Ca -0.06 0.35 -0.24 0.00 0.69 0.00 0.00 54.13 54.87 1xpw s LEU 100 Cb -0.13 -2.87 -0.02 0.00 -0.43 0.00 0.00 46.19 42.74 1xpw s LEU 100 CO -0.03 -0.58 1.78 -1.58 -0.29 0.00 0.00 176.35 175.65 1xpw s GLN 101 N 2.77 2.90 -0.78 1.98 0.74 -1.25 -4.89 119.66 121.12 1xpw s GLN 101 Ca 0.27 -0.58 -0.21 0.00 0.05 0.00 0.00 55.36 54.90 1xpw s GLN 101 Cb -0.14 -5.16 0.10 0.00 1.10 0.00 0.00 33.01 28.90 1xpw s GLN 101 CO 0.14 -3.00 1.03 -0.80 -0.55 0.00 0.00 175.29 172.11 1xpw s ASN 102 N 7.01 6.38 -0.20 6.67 -0.87 -1.26 -3.76 114.94 128.90 1xpw s ASN 102 Ca 0.62 -1.50 -0.04 0.00 -1.57 0.00 0.00 52.86 50.37 1xpw s ASN 102 Cb -0.04 -2.41 -0.02 0.00 -0.02 0.00 0.00 41.25 38.76 1xpw s ASN 102 CO -0.04 -1.26 -0.03 -0.70 -2.57 0.00 0.00 177.10 172.51 1xpw s GLU 103 N 3.39 3.49 -0.66 -0.60 2.12 -1.04 -4.95 118.70 120.45 1xpw s GLU 103 Ca 0.27 -0.58 -0.26 0.00 0.36 0.00 0.00 54.97 54.76 1xpw s GLU 103 Cb -0.12 -3.02 0.04 0.00 0.26 0.00 0.00 34.13 31.30 1xpw s GLU 103 CO 0.01 -0.07 1.14 -1.21 -0.54 0.00 0.00 175.26 174.58 1xpw s GLU 104 N 1.17 3.25 -0.57 4.30 8.01 -1.26 -1.59 118.70 132.02 1xpw s GLU 104 Ca 0.02 -0.30 -0.28 0.00 0.01 0.00 0.00 54.97 54.42 1xpw s GLU 104 Cb -0.14 -4.14 0.03 0.00 -4.31 0.00 0.00 34.13 25.56 1xpw s GLU 104 CO -0.00 -1.88 1.21 0.42 0.01 0.00 0.00 175.26 175.02 1xpw s ILE 105 N 4.92 4.01 -0.94 -1.63 1.01 0.51 -4.82 121.20 124.27 1xpw s ILE 105 Ca 0.33 0.92 -0.24 0.00 0.00 0.00 0.00 60.65 61.65 1xpw s ILE 105 Cb -0.11 -4.69 0.01 0.00 0.01 0.00 0.00 42.46 37.69 1xpw s ILE 105 CO 0.16 -1.29 1.61 -0.69 0.00 0.00 0.00 174.94 174.73 1xpw s VAL 106 N 5.00 3.73 -0.11 2.92 1.01 -1.26 -0.39 120.40 131.29 1xpw s VAL 106 Ca 0.44 -0.49 -0.00 0.00 0.00 0.00 0.00 61.98 61.93 1xpw s VAL 106 Cb -0.08 -4.66 0.02 0.00 0.00 0.00 0.00 36.38 31.66 1xpw s VAL 106 CO 0.26 -1.57 -0.08 0.00 0.00 0.00 0.00 175.10 173.70 1xpw s ALA 107 N 6.84 1.37 -0.36 5.51 0.00 0.72 -4.97 121.76 130.87 1xpw s ALA 107 Ca 0.54 -0.57 -0.14 0.00 0.00 0.00 0.00 51.96 51.78 1xpw s ALA 107 Cb -0.03 -0.91 -0.00 0.00 0.00 0.00 0.00 23.12 22.18 1xpw s ALA 107 CO -0.03 -0.39 0.30 -1.01 0.00 0.00 0.00 175.76 174.63 1xpw s HIS 108 N 1.64 3.22 0.17 0.00 3.76 -1.26 -3.52 115.29 119.30 1xpw s HIS 108 Ca 0.04 -0.26 -0.12 0.00 -0.15 0.00 0.00 55.06 54.57 1xpw s HIS 108 Cb -0.13 -2.59 0.04 0.00 1.11 0.00 0.00 32.58 31.02 1xpw s HIS 108 CO -0.08 -0.46 0.59 0.41 -0.85 0.00 0.00 174.74 174.35 1xpw n GLY 109 N 5.08 1.07 3.04 -2.22 0.00 -0.24 -5.02 105.19 106.89 1xpw n GLY 109 Ca -0.11 -1.11 -0.20 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.45 1.29 0.19 1.61 0.01 -1.26 -0.49 113.70 112.60 1xpw s SER 110 Ca 0.13 -0.20 -0.13 0.00 1.31 0.00 0.00 55.95 57.05 1xpw s SER 110 Cb -0.02 -0.24 0.01 0.00 0.21 0.00 0.00 66.02 65.97 1xpw s SER 110 CO 0.05 0.11 0.41 0.00 0.41 0.00 0.00 173.24 174.22 1xpw s ALA 111 N -0.05 -0.47 0.00 1.44 0.00 -1.02 -4.81 121.76 116.85 1xpw s ALA 111 Ca 0.01 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1xpw s ALA 111 Cb -0.06 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.92 1xpw s ALA 111 CO 0.00 -0.74 0.00 2.41 0.00 0.00 0.00 175.76 177.43 1xpw n THR 112 N -0.29 0.00 -4.31 0.00 -1.04 0.14 -2.62 114.28 106.16 1xpw n THR 112 Ca -0.08 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.73 1xpw n THR 112 Cb 0.63 -0.78 -0.13 0.00 -1.82 0.00 0.00 70.33 68.23 1xpw n THR 112 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1xpw s TYR 113 N -1.94 1.26 -0.06 -1.42 1.51 0.18 -1.26 117.35 115.61 1xpw s TYR 113 Ca 0.00 -0.38 0.02 0.00 -1.01 0.00 0.00 57.07 55.70 1xpw s TYR 113 Cb 0.00 -0.74 0.01 0.00 -0.11 0.00 0.00 41.96 41.13 1xpw s TYR 113 CO 0.00 0.05 -0.11 -0.51 -1.11 0.00 0.00 175.55 173.87 1xpw s LEU 114 N -1.31 1.58 -0.30 -1.29 1.43 -0.66 -1.12 118.68 117.01 1xpw s LEU 114 Ca 0.01 -0.26 -0.08 0.00 -1.03 0.00 0.00 54.13 52.77 1xpw s LEU 114 Cb -0.08 -0.74 0.00 0.00 0.03 0.00 0.00 46.19 45.39 1xpw s LEU 114 CO 0.02 0.02 0.11 -0.60 0.23 0.00 0.00 176.35 176.12 1xpw s ARG 115 N 0.71 3.22 -0.37 1.70 3.52 -0.95 -0.42 118.95 126.36 1xpw s ARG 115 Ca -0.14 -0.78 -0.15 0.00 -0.13 0.00 0.00 55.73 54.53 1xpw s ARG 115 Cb -0.15 -3.46 -0.00 0.00 -1.56 0.00 0.00 34.95 29.77 1xpw s ARG 115 CO 0.03 -0.42 0.33 -0.06 -0.81 0.00 0.00 175.30 174.37 1xpw s PHE 116 N 1.56 3.21 -0.42 5.12 0.40 0.41 -2.39 117.98 125.87 1xpw s PHE 116 Ca 0.04 -0.23 -0.05 0.00 -0.60 0.00 0.00 56.93 56.09 1xpw s PHE 116 Cb -0.17 -2.64 0.11 0.00 0.51 0.00 0.00 43.02 40.83 1xpw s PHE 116 CO 0.04 -0.48 0.24 0.42 0.70 0.00 0.00 175.22 176.13 1xpw s ILE 117 N 1.90 3.60 -0.79 0.64 1.01 0.46 -1.45 121.20 126.58 1xpw s ILE 117 Ca 0.09 -1.89 -0.25 0.00 0.00 0.00 0.00 60.65 58.61 1xpw s ILE 117 Cb -0.17 -3.40 0.05 0.00 0.01 0.00 0.00 42.46 38.95 1xpw s ILE 117 CO 0.11 -0.66 1.23 -0.63 0.00 0.00 0.00 174.94 174.99 1xpw s ILE 118 N 1.23 3.98 -0.04 2.92 1.01 0.37 -0.39 121.20 130.28 1xpw s ILE 118 Ca 0.06 -0.16 -0.18 0.00 0.00 0.00 0.00 60.65 60.37 1xpw s ILE 118 Cb -0.24 -4.88 -0.12 0.00 0.01 0.00 0.00 42.46 37.23 1xpw s ILE 118 CO -0.03 -1.76 0.75 0.58 0.00 0.00 0.00 174.94 174.49 1xpw h VAL 119 N 6.16 0.39 -3.81 2.92 2.07 -1.56 -1.14 116.25 121.28 1xpw h VAL 119 Ca -0.15 -0.82 -0.27 0.00 0.82 0.00 0.00 66.70 66.28 1xpw h VAL 119 Cb 1.04 0.64 -0.17 0.00 -1.52 0.00 0.00 31.29 31.28 1xpw h VAL 119 CO 1.28 0.10 -0.72 -0.55 0.02 0.00 0.00 177.57 177.70 1xpw s SER 120 N -5.17 1.20 0.07 0.57 0.15 -1.25 -4.03 113.70 105.24 1xpw s SER 120 Ca -0.10 -0.85 -0.01 0.00 0.70 0.00 0.00 55.95 55.69 1xpw s SER 120 Cb 0.01 0.05 -0.04 0.00 -1.71 0.00 0.00 66.02 64.33 1xpw s SER 120 CO 0.35 -0.34 -0.01 0.00 1.20 0.00 0.00 173.24 174.44 1xpw s ALA 121 N -2.75 0.58 -0.11 5.45 0.00 -1.26 -1.11 121.76 122.57 1xpw s ALA 121 Ca 0.05 -1.26 0.30 0.00 0.00 0.00 0.00 51.96 51.05 1xpw s ALA 121 Cb -0.01 0.40 1.19 0.00 0.00 0.00 0.00 23.12 24.70 1xpw s ALA 121 CO -0.02 -0.40 1.89 0.74 0.00 0.00 0.00 175.76 177.97 1xpw h PHE 122 N 3.09 0.00 -2.33 0.00 0.04 -1.26 -3.44 116.94 113.03 1xpw h PHE 122 Ca -0.34 0.00 -0.54 0.00 2.80 0.00 0.00 57.97 59.89 1xpw h PHE 122 Cb 1.15 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 39.17 1xpw h PHE 122 CO 0.51 0.00 -0.62 -0.51 -0.60 0.00 0.00 178.31 177.09 1xpw s ASP 123 N -5.33 3.07 -0.01 2.17 1.11 -1.25 -5.04 116.67 111.40 1xpw s ASP 123 Ca 0.03 -1.33 0.13 0.00 0.18 0.00 0.00 52.55 51.55 1xpw s ASP 123 Cb 0.09 -0.23 0.37 0.00 1.07 0.00 0.00 42.92 44.22 1xpw s ASP 123 CO 0.52 -0.47 1.30 1.57 1.18 0.00 0.00 175.17 179.26 1xpw n HIS 124 N -0.77 0.58 -3.76 4.23 -0.00 -1.26 -4.84 115.22 109.39 1xpw n HIS 124 Ca -0.04 -0.28 -0.11 0.00 0.46 0.00 0.00 57.72 57.75 1xpw n HIS 124 Cb 0.66 -0.01 -0.07 0.00 -0.12 0.00 0.00 29.99 30.44 1xpw n HIS 124 CO 0.00 0.00 0.00 -0.59 0.46 0.00 0.00 176.34 176.21 1xpw s PHE 125 N -1.47 -0.09 0.08 1.57 -0.71 -1.26 -3.92 117.98 112.18 1xpw s PHE 125 Ca 0.28 -0.07 -0.11 0.00 -1.04 0.00 0.00 56.93 55.99 1xpw s PHE 125 Cb 0.15 0.09 0.01 0.00 -1.21 0.00 0.00 43.02 42.06 1xpw s PHE 125 CO 0.18 -0.51 0.26 0.00 -1.34 0.00 0.00 175.22 173.81 1xpw s ALA 126 N -2.68 -0.49 -0.06 1.99 0.00 -1.26 -4.77 121.76 114.49 1xpw s ALA 126 Ca -0.04 -0.34 -0.03 0.00 0.00 0.00 0.00 51.96 51.55 1xpw s ALA 126 Cb -0.00 0.49 0.03 0.00 0.00 0.00 0.00 23.12 23.64 1xpw s ALA 126 CO -0.04 -0.51 0.13 0.45 0.00 0.00 0.00 175.76 175.79 1xpw s SER 127 N -2.63 -0.09 -0.13 0.00 0.15 -1.25 -0.52 113.70 109.23 1xpw s SER 127 Ca 0.02 0.27 -0.06 0.00 0.70 0.00 0.00 55.95 56.87 1xpw s SER 127 Cb 0.03 0.17 -0.04 0.00 -1.71 0.00 0.00 66.02 64.47 1xpw s SER 127 CO -0.09 -0.13 0.11 0.54 1.20 0.00 0.00 173.24 174.87 1xpw s VAL 128 N 1.00 5.23 -0.02 4.45 0.11 -1.11 -2.71 120.40 127.36 1xpw s VAL 128 Ca -0.08 0.11 0.05 0.00 -2.93 0.00 0.00 61.98 59.13 1xpw s VAL 128 Cb -0.10 -3.28 -0.07 0.00 -1.53 0.00 0.00 36.38 31.39 1xpw s VAL 128 CO -0.05 0.59 0.08 1.41 -3.33 0.00 0.00 175.10 173.80 1xpw n HIS 129 N 2.29 0.00 -3.63 1.54 8.25 -0.23 -3.86 115.22 119.58 1xpw n HIS 129 Ca -0.19 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.19 1xpw n HIS 129 Cb 0.54 -0.16 -0.07 0.00 1.12 0.00 0.00 29.99 31.43 1xpw n HIS 129 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1xpw s SER 130 N -2.96 -0.33 -0.07 0.41 1.04 -1.18 -4.54 113.70 106.08 1xpw s SER 130 Ca -0.02 0.58 0.02 0.00 0.48 0.00 0.00 55.95 57.01 1xpw s SER 130 Cb 0.03 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.73 1xpw s SER 130 CO 0.21 -0.14 -0.13 0.68 0.98 0.00 0.00 173.24 174.83 1xpw s VAL 131 N -0.09 1.21 0.07 5.02 -7.23 -1.25 -1.02 120.40 117.10 1xpw s VAL 131 Ca 0.04 -0.51 0.06 0.00 -1.81 0.00 0.00 61.98 59.76 1xpw s VAL 131 Cb -0.04 -1.11 -0.03 0.00 0.56 0.00 0.00 36.38 35.76 1xpw s VAL 131 CO -0.07 0.37 -0.17 -0.44 -0.31 0.00 0.00 175.10 174.48 1xpw s SER 132 N 0.74 2.05 -0.30 4.85 0.01 -0.24 -4.64 113.70 116.17 1xpw s SER 132 Ca -0.13 -0.60 0.02 0.00 1.31 0.00 0.00 55.95 56.55 1xpw s SER 132 Cb -0.16 -0.11 0.09 0.00 0.21 0.00 0.00 66.02 66.06 1xpw s SER 132 CO 0.03 0.02 0.04 0.00 0.41 0.00 0.00 173.24 173.74 1xpw s ALA 133 N -1.10 2.19 -0.28 1.44 0.00 -1.26 -0.38 121.76 122.37 1xpw s ALA 133 Ca 0.03 -1.94 -0.16 0.00 0.00 0.00 0.00 51.96 49.88 1xpw s ALA 133 Cb -0.09 -1.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.28 1xpw s ALA 133 CO 0.03 -1.56 0.43 -1.21 0.00 0.00 0.00 175.76 173.45 1xpw s GLU 134 N 1.27 3.94 0.00 0.00 2.02 0.45 -0.14 118.70 126.24 1xpw s GLU 134 Ca 0.06 0.06 0.00 0.00 0.02 0.00 0.00 54.97 55.11 1xpw s GLU 134 Cb -0.18 -3.69 0.00 0.00 0.10 0.00 0.00 34.13 30.36 1xpw s GLU 134 CO -0.14 -0.37 0.00 0.41 0.02 0.00 0.00 175.26 175.18 1xpw n GLY 135 N 4.64 1.44 2.91 -1.39 0.00 -1.07 -0.99 105.19 110.73 1xpw n GLY 135 Ca -0.07 0.26 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 1.80 0.01 -0.08 2.61 -4.23 -0.58 -0.52 115.64 114.65 1xpw s THR 136 Ca 0.00 -0.12 -0.26 0.00 -1.18 0.00 0.00 61.69 60.13 1xpw s THR 136 Cb 0.00 -0.08 -0.03 0.00 1.34 0.00 0.00 72.50 73.74 1xpw s THR 136 CO 0.00 -0.06 0.84 0.54 -0.54 0.00 0.00 174.62 175.40 1xpw s VAL 137 N -0.18 4.93 -0.14 2.29 0.11 -1.26 -0.41 120.40 125.74 1xpw s VAL 137 Ca -0.02 1.73 -0.11 0.00 -2.93 0.00 0.00 61.98 60.64 1xpw s VAL 137 Cb -0.01 -4.17 -0.09 0.00 -1.53 0.00 0.00 36.38 30.58 1xpw s VAL 137 CO -0.00 0.14 0.13 0.58 -3.33 0.00 0.00 175.10 172.62 1xpw h VAL 138 N 4.93 0.49 -3.58 2.04 2.07 -1.37 -3.44 116.25 117.39 1xpw h VAL 138 Ca -0.37 -1.44 -0.70 0.00 0.82 0.00 0.00 66.70 65.01 1xpw h VAL 138 Cb 1.18 0.99 -0.20 0.00 -1.52 0.00 0.00 31.29 31.74 1xpw h VAL 138 CO 0.79 0.17 -0.42 -0.94 0.02 0.00 0.00 177.57 177.18 1xpw s SER 139 N -5.92 6.10 -1.02 0.57 1.04 -1.01 -5.00 113.70 108.46 1xpw s SER 139 Ca -0.12 -0.70 -0.23 0.00 0.48 0.00 0.00 55.95 55.38 1xpw s SER 139 Cb 0.01 -2.16 0.02 0.00 0.10 0.00 0.00 66.02 63.99 1xpw s SER 139 CO 0.28 -0.39 1.62 0.21 0.98 0.00 0.00 173.24 175.95 1xpw s ASN 140 N 1.71 6.12 -0.90 7.02 3.04 -1.26 -4.51 114.94 126.15 1xpw s ASN 140 Ca 0.06 -1.33 -0.20 0.00 0.04 0.00 0.00 52.86 51.43 1xpw s ASN 140 Cb -0.18 -2.57 0.11 0.00 -1.54 0.00 0.00 41.25 37.07 1xpw s ASN 140 CO 0.11 -1.86 1.15 -0.22 -3.04 0.00 0.00 177.10 173.23 1xpw s LEU 141 N 6.48 4.69 0.00 3.21 2.96 -1.26 -4.65 118.68 130.11 1xpw s LEU 141 Ca 0.54 -1.77 0.00 0.00 -0.22 0.00 0.00 54.13 52.68 1xpw s LEU 141 Cb -0.01 -2.43 0.00 0.00 0.50 0.00 0.00 46.19 44.25 1xpw s LEU 141 CO -0.05 -1.20 0.86 -0.24 -1.32 0.00 0.00 176.35 174.40 1xpw n SER 142 N 7.12 1.49 0.00 3.68 2.88 -1.26 -4.90 113.62 122.63 1xpw n SER 142 Ca 0.21 -1.74 0.00 0.00 -1.33 0.00 0.00 58.87 56.01 1xpw n SER 142 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 1xpw n SER 142 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27