#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpn s SER 2 N 0.00 -0.31 -1.12 1.61 0.15 -1.26 -5.08 113.70 107.70 1xpn s SER 2 Ca 0.00 -0.21 -0.21 0.00 0.70 0.00 0.00 55.95 56.22 1xpn s SER 2 Cb 0.00 0.48 0.03 0.00 -1.71 0.00 0.00 66.02 64.82 1xpn s SER 2 CO 0.00 -0.84 1.67 -0.44 1.20 0.00 0.00 173.24 174.84 1xpn s SER 3 N -2.74 6.25 -0.77 5.45 0.01 -1.26 -4.91 113.70 115.73 1xpn s SER 3 Ca 0.08 -1.70 -0.21 0.00 1.31 0.00 0.00 55.95 55.43 1xpn s SER 3 Cb -0.02 -2.57 0.10 0.00 0.21 0.00 0.00 66.02 63.74 1xpn s SER 3 CO -0.04 -1.76 1.01 -1.38 0.41 0.00 0.00 173.24 171.49 1xpn s HIS 4 N 6.16 2.88 -0.17 2.43 0.00 -1.26 -4.83 115.29 120.51 1xpn s HIS 4 Ca 0.55 -0.93 -0.21 0.00 -3.00 0.00 0.00 55.06 51.46 1xpn s HIS 4 Cb 0.00 -4.27 -0.22 0.00 -4.00 0.00 0.00 32.58 24.09 1xpn s HIS 4 CO 0.00 -1.55 0.40 1.25 -1.00 0.00 0.00 174.74 173.84 1xpn h HIS 5 N 9.24 0.11 0.00 0.38 2.76 -2.08 -3.49 115.15 122.06 1xpn h HIS 5 Ca -0.10 -0.08 0.00 0.00 -2.20 0.00 0.00 60.37 57.99 1xpn h HIS 5 Cb 1.05 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.01 1xpn h HIS 5 CO 1.04 1.42 0.00 1.58 -1.30 0.00 0.00 177.93 180.67 1xpn n HIS 6 N -4.32 0.00 -1.83 5.26 -0.00 -1.26 -5.15 115.22 107.92 1xpn n HIS 6 Ca -0.26 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.10 1xpn n HIS 6 Cb 0.70 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.75 1xpn n HIS 6 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1xpn s HIS 7 N -1.71 2.25 -1.22 1.57 3.76 -1.26 -4.83 115.29 113.85 1xpn s HIS 7 Ca 0.00 1.52 -0.21 0.00 -0.15 0.00 0.00 55.06 56.22 1xpn s HIS 7 Cb 0.00 -3.52 -0.04 0.00 1.11 0.00 0.00 32.58 30.12 1xpn s HIS 7 CO 0.00 -2.45 1.88 -1.58 -0.85 0.00 0.00 174.74 171.73 1xpn s HIS 8 N -1.64 2.20 0.00 1.40 2.46 -1.26 -3.82 115.29 114.62 1xpn s HIS 8 Ca 0.78 -0.15 0.00 0.00 0.47 0.00 0.00 55.06 56.16 1xpn s HIS 8 Cb -0.32 -4.22 0.00 0.00 -0.13 0.00 0.00 32.58 27.91 1xpn s HIS 8 CO 0.37 -1.37 0.03 1.58 -2.47 0.00 0.00 174.74 172.88 1xpn n HIS 9 N 12.65 0.00 -2.62 3.88 -0.00 -1.26 -4.96 115.22 122.90 1xpn n HIS 9 Ca 0.46 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.75 1xpn n HIS 9 Cb 0.46 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.45 1xpn n HIS 9 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1xpn s SER 10 N -0.11 6.84 0.70 0.26 0.15 -1.25 -4.96 113.70 115.33 1xpn s SER 10 Ca 0.00 -2.43 -0.07 0.00 0.70 0.00 0.00 55.95 54.14 1xpn s SER 10 Cb 0.00 -2.56 0.06 0.00 -1.71 0.00 0.00 66.02 61.81 1xpn s SER 10 CO 0.00 -1.15 1.02 -0.55 1.20 0.00 0.00 173.24 173.76 1xpn s SER 11 N 4.13 4.89 0.00 5.45 0.15 -1.26 -4.63 113.70 122.43 1xpn s SER 11 Ca 0.52 0.53 0.00 0.00 0.70 0.00 0.00 55.95 57.70 1xpn s SER 11 Cb 0.03 -1.21 0.00 0.00 -1.71 0.00 0.00 66.02 63.13 1xpn s SER 11 CO 0.06 -1.56 0.00 0.61 1.20 0.00 0.00 173.24 173.55 1xpn n GLY 12 N -2.92 0.56 3.56 9.45 0.00 -1.26 -4.99 105.19 109.58 1xpn n GLY 12 Ca 0.08 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1xpn n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xpn s LEU 13 N -1.03 3.80 -0.49 0.99 1.02 -1.26 -4.80 118.68 116.90 1xpn s LEU 13 Ca 0.00 -1.95 0.08 0.00 0.02 0.00 0.00 54.13 52.28 1xpn s LEU 13 Cb 0.00 -2.56 0.30 0.00 0.02 0.00 0.00 46.19 43.95 1xpn s LEU 13 CO 0.00 -1.31 0.72 1.33 0.02 0.00 0.00 176.35 177.11 1xpn n VAL 14 N 6.51 1.03 -2.71 -1.59 0.24 -1.26 -5.10 118.33 115.45 1xpn n VAL 14 Ca 0.39 -4.80 -0.42 0.00 -2.04 0.00 0.00 64.34 57.46 1xpn n VAL 14 Cb 0.49 -1.44 -0.03 0.00 -1.47 0.00 0.00 33.84 31.39 1xpn n VAL 14 CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 1xpn s PRO 15 N -2.33 4.53 0.00 7.34 0.02 -1.26 -4.83 135.00 138.47 1xpn s PRO 15 Ca 0.41 1.41 0.00 0.00 0.02 0.00 0.00 61.00 62.83 1xpn s PRO 15 Cb 0.23 -3.48 0.00 0.00 0.02 0.00 0.00 34.50 31.28 1xpn s PRO 15 CO -0.08 -0.11 0.00 2.89 -0.33 0.00 0.00 177.00 179.36 1xpn n ARG 16 N 4.16 1.18 -3.22 5.54 0.00 -1.26 -4.97 116.66 118.10 1xpn n ARG 16 Ca 0.07 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.67 1xpn n ARG 16 Cb 0.50 -0.10 -0.07 0.00 -0.00 0.00 0.00 32.46 32.80 1xpn n ARG 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xpn n GLY 17 N 0.00 3.11 1.23 2.89 0.00 -1.26 -4.96 105.19 106.20 1xpn n GLY 17 Ca 0.00 -1.72 -0.04 0.00 0.00 0.00 0.00 46.02 44.26 1xpn n GLY 17 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xpn n SER 18 N 1.33 3.19 -0.22 1.61 7.64 -1.26 -2.51 113.62 123.40 1xpn n SER 18 Ca 0.22 -2.30 0.00 0.00 1.01 0.00 0.00 58.87 57.80 1xpn n SER 18 Cb 0.52 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 1xpn n SER 18 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xpn n HIS 19 N 0.22 0.00 -1.18 1.43 1.44 -1.26 -5.14 115.22 110.72 1xpn n HIS 19 Ca 0.11 0.00 0.16 0.00 -2.01 0.00 0.00 57.72 55.98 1xpn n HIS 19 Cb 0.71 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.78 1xpn n HIS 19 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1xpn n MET 20 N 0.00 -2.41 -2.87 -1.40 0.00 -1.05 -4.54 117.12 104.86 1xpn n MET 20 Ca 0.00 1.62 -0.43 0.00 0.00 0.00 0.00 57.70 58.89 1xpn n MET 20 Cb 0.58 -2.92 -0.04 0.00 0.00 0.00 0.00 33.22 30.83 1xpn n MET 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xpn s ALA 21 N -2.16 3.15 -0.04 3.04 0.00 -1.26 -4.91 121.76 119.58 1xpn s ALA 21 Ca 0.00 -1.58 -0.26 0.00 0.00 0.00 0.00 51.96 50.12 1xpn s ALA 21 Cb 0.00 -3.77 -0.21 0.00 0.00 0.00 0.00 23.12 19.15 1xpn s ALA 21 CO 0.00 -2.55 1.16 0.77 0.00 0.00 0.00 175.76 175.14 1xpn h SER 22 N 9.41 -0.03 -2.21 0.00 0.02 -2.01 -3.45 113.55 115.28 1xpn h SER 22 Ca -0.28 -0.53 0.04 0.00 -0.84 0.00 0.00 61.79 60.18 1xpn h SER 22 Cb 1.07 0.01 -0.22 0.00 0.14 0.00 0.00 62.40 63.41 1xpn h SER 22 CO 1.12 0.53 -0.16 0.21 -1.14 0.00 0.00 176.83 177.39 1xpn s ASN 23 N -5.72 -0.96 1.19 3.07 3.84 -1.26 -5.17 114.94 109.93 1xpn s ASN 23 Ca -0.16 1.45 -0.16 0.00 0.21 0.00 0.00 52.86 54.20 1xpn s ASN 23 Cb 0.01 2.02 0.24 0.00 -0.55 0.00 0.00 41.25 42.97 1xpn s ASN 23 CO 0.65 -0.22 0.90 -0.81 -2.79 0.00 0.00 177.10 174.83 1xpn n PRO 24 N 5.31 -2.61 -1.56 0.43 -0.04 -1.26 -5.05 135.00 130.22 1xpn n PRO 24 Ca -0.12 -1.43 -0.29 0.00 -0.04 0.00 0.00 63.50 61.62 1xpn n PRO 24 Cb 0.50 -1.31 0.12 0.00 -0.04 0.00 0.00 33.50 32.78 1xpn n PRO 24 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1xpn s ASN 25 N -3.96 3.83 0.00 3.54 3.04 -1.26 -5.01 114.94 115.13 1xpn s ASN 25 Ca 0.58 1.05 0.00 0.00 0.04 0.00 0.00 52.86 54.53 1xpn s ASN 25 Cb -0.05 -1.67 0.00 0.00 -1.54 0.00 0.00 41.25 37.98 1xpn s ASN 25 CO 0.44 -2.36 0.75 0.47 -3.04 0.00 0.00 177.10 173.36 1xpn n ASP 26 N -3.65 0.00 -3.97 -4.21 9.92 -1.26 -4.88 116.55 108.50 1xpn n ASP 26 Ca 0.07 0.75 -0.09 0.00 -0.53 0.00 0.00 54.79 54.98 1xpn n ASP 26 Cb 0.58 -0.25 -0.10 0.00 -0.64 0.00 0.00 41.12 40.72 1xpn n ASP 26 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1xpn s LEU 27 N -2.94 2.04 0.84 0.64 1.43 -1.26 -4.94 118.68 114.49 1xpn s LEU 27 Ca 0.00 -0.56 -0.10 0.00 -1.03 0.00 0.00 54.13 52.44 1xpn s LEU 27 Cb 0.00 0.37 0.10 0.00 0.03 0.00 0.00 46.19 46.69 1xpn s LEU 27 CO 0.00 -0.43 1.11 -2.16 0.23 0.00 0.00 176.35 175.09 1xpn s PRO 28 N -2.27 1.72 -0.88 1.29 0.04 -1.26 -4.92 135.00 128.72 1xpn s PRO 28 Ca -0.08 1.25 -0.24 0.00 0.04 0.00 0.00 61.00 61.96 1xpn s PRO 28 Cb -0.04 -1.83 0.05 0.00 0.04 0.00 0.00 34.50 32.72 1xpn s PRO 28 CO -0.03 -2.05 1.33 0.34 0.04 0.00 0.00 177.00 176.63 1xpn s ASP 29 N -3.16 6.35 -0.05 6.66 2.15 -1.26 -4.94 116.67 122.43 1xpn s ASP 29 Ca 0.63 -1.07 -0.02 0.00 0.43 0.00 0.00 52.55 52.53 1xpn s ASP 29 Cb -0.19 -2.54 0.04 0.00 -0.30 0.00 0.00 42.92 39.92 1xpn s ASP 29 CO 0.57 -1.60 0.10 0.12 -0.17 0.00 0.00 175.17 174.18 1xpn s PHE 30 N 5.05 -0.08 -0.16 -5.34 2.19 -1.26 -5.13 117.98 113.25 1xpn s PHE 30 Ca 0.39 0.34 -0.29 0.00 0.33 0.00 0.00 56.93 57.70 1xpn s PHE 30 Cb -0.05 -0.17 -0.02 0.00 -1.31 0.00 0.00 43.02 41.47 1xpn s PHE 30 CO 0.01 -0.14 1.34 -1.25 1.83 0.00 0.00 175.22 177.01 1xpn s PRO 31 N 1.24 4.17 -0.96 10.12 0.04 -1.26 -4.95 135.00 143.40 1xpn s PRO 31 Ca -0.08 1.70 -0.24 0.00 0.04 0.00 0.00 61.00 62.42 1xpn s PRO 31 Cb -0.12 -3.82 -0.02 0.00 0.04 0.00 0.00 34.50 30.57 1xpn s PRO 31 CO -0.05 -0.80 1.81 -1.21 0.04 0.00 0.00 177.00 176.80 1xpn s GLU 32 N 3.70 2.85 -0.13 4.56 8.01 -1.26 -4.71 118.70 131.73 1xpn s GLU 32 Ca 0.58 -0.59 0.15 0.00 0.01 0.00 0.00 54.97 55.12 1xpn s GLU 32 Cb -0.23 -5.16 -0.24 0.00 -4.31 0.00 0.00 34.13 24.19 1xpn s GLU 32 CO 0.18 -3.08 0.33 1.58 0.01 0.00 0.00 175.26 174.28 1xpn n HIS 33 N 12.55 0.47 0.08 1.61 -0.00 -1.26 -4.27 115.22 124.40 1xpn n HIS 33 Ca 0.39 0.17 0.04 0.00 0.46 0.00 0.00 57.72 58.78 1xpn n HIS 33 Cb 0.48 -1.09 0.45 0.00 -0.12 0.00 0.00 29.99 29.72 1xpn n HIS 33 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 1xpn h GLU 34 N 0.00 0.36 0.00 1.57 3.07 -1.97 -0.42 114.58 117.19 1xpn h GLU 34 Ca -0.43 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 1xpn h GLU 34 Cb 2.13 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.97 1xpn h GLU 34 CO 0.05 0.30 0.00 0.66 -1.40 0.00 0.00 179.01 178.62 1xpn n TYR 35 N -4.43 0.68 0.69 4.33 4.01 -1.26 -1.17 117.16 120.00 1xpn n TYR 35 Ca 0.01 0.27 0.08 0.00 -0.16 0.00 0.00 57.90 58.10 1xpn n TYR 35 Cb 0.12 -0.94 0.03 0.00 -0.31 0.00 0.00 39.34 38.24 1xpn n TYR 35 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1xpn n ALA 36 N -1.73 2.84 0.20 -0.72 0.00 -0.22 -4.33 120.51 116.55 1xpn n ALA 36 Ca 0.02 -0.58 0.06 0.00 0.00 0.00 0.00 53.44 52.94 1xpn n ALA 36 Cb 0.20 -0.55 0.10 0.00 0.00 0.00 0.00 19.45 19.20 1xpn n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xpn n ALA 37 N 0.35 2.36 -2.25 0.00 0.00 -0.32 -4.92 120.51 115.73 1xpn n ALA 37 Ca 0.08 -0.83 -0.38 0.00 0.00 0.00 0.00 53.44 52.31 1xpn n ALA 37 Cb 0.37 -0.42 -0.03 0.00 0.00 0.00 0.00 19.45 19.36 1xpn n ALA 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1xpn s THR 38 N -0.98 3.52 0.00 0.00 2.01 -0.85 -4.90 115.64 114.45 1xpn s THR 38 Ca 0.18 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.34 1xpn s THR 38 Cb 0.11 -4.36 0.00 0.00 0.01 0.00 0.00 72.50 68.26 1xpn s THR 38 CO 0.15 -1.31 0.00 0.00 -0.69 0.00 0.00 174.62 172.78 1xpn n GLN 39 N 9.21 0.32 -0.88 4.92 6.02 -1.26 -5.10 117.38 130.60 1xpn n GLN 39 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 1xpn n GLN 39 Cb 0.50 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.76 1xpn n GLN 39 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1xpn n GLN 40 N 0.00 -0.19 -1.64 -1.09 6.02 -1.26 -4.82 117.38 114.40 1xpn n GLN 40 Ca 0.00 0.62 -0.39 0.00 -0.01 0.00 0.00 57.00 57.22 1xpn n GLN 40 Cb 0.00 -0.48 -0.03 0.00 1.02 0.00 0.00 30.24 30.75 1xpn n GLN 40 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1xpn s VAL 41 N -0.02 3.06 0.13 5.09 1.01 -1.26 -4.49 120.40 123.92 1xpn s VAL 41 Ca 0.00 0.05 -0.31 0.00 0.00 0.00 0.00 61.98 61.72 1xpn s VAL 41 Cb 0.00 -3.12 -0.10 0.00 0.00 0.00 0.00 36.38 33.16 1xpn s VAL 41 CO 0.00 -0.10 1.62 -0.83 0.00 0.00 0.00 175.10 175.79 1xpn s GLY 42 N 10.03 1.53 0.00 4.51 0.00 -1.26 -4.83 107.32 117.30 1xpn s GLY 42 Ca 0.95 1.33 0.02 0.00 0.00 0.00 0.00 44.72 47.02 1xpn s GLY 42 CO 0.30 2.77 0.46 0.61 0.00 0.00 0.00 173.10 177.23 1xpn n GLY 43 N 3.88 -0.78 3.82 0.20 0.00 -1.21 -3.75 105.19 107.35 1xpn n GLY 43 Ca 0.15 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1xpn n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xpn s GLY 44 N -0.42 2.21 -0.11 -0.02 0.00 -0.44 -4.76 107.32 103.78 1xpn s GLY 44 Ca 0.02 0.37 0.02 0.00 0.00 0.00 0.00 44.72 45.13 1xpn s GLY 44 CO 0.04 0.67 -0.17 0.14 0.00 0.00 0.00 173.10 173.79 1xpn s VAL 45 N -2.39 1.61 -0.23 1.40 1.01 -1.19 -1.87 120.40 118.75 1xpn s VAL 45 Ca 0.63 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.80 1xpn s VAL 45 Cb -0.14 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 1xpn s VAL 45 CO 0.30 0.46 0.13 -0.63 0.00 0.00 0.00 175.10 175.36 1xpn s ILE 46 N 0.92 5.13 -0.47 2.22 1.01 0.70 0.01 121.20 130.72 1xpn s ILE 46 Ca -0.07 0.10 -0.13 0.00 0.00 0.00 0.00 60.65 60.54 1xpn s ILE 46 Cb -0.15 -3.38 0.09 0.00 0.01 0.00 0.00 42.46 39.03 1xpn s ILE 46 CO -0.01 0.37 0.37 0.20 0.00 0.00 0.00 174.94 175.87 1xpn s ASN 47 N 0.97 5.95 -0.15 3.58 0.02 0.12 -0.95 114.94 124.49 1xpn s ASN 47 Ca 0.06 -1.54 -0.02 0.00 -1.02 0.00 0.00 52.86 50.35 1xpn s ASN 47 Cb -0.13 -2.11 -0.02 0.00 0.02 0.00 0.00 41.25 39.01 1xpn s ASN 47 CO 0.03 -0.66 -0.09 -0.83 0.02 0.00 0.00 177.10 175.57 1xpn s GLY 48 N 2.66 1.61 -0.20 0.66 0.00 0.16 0.22 107.32 112.43 1xpn s GLY 48 Ca 0.04 -0.89 -0.01 0.00 0.00 0.00 0.00 44.72 43.86 1xpn s GLY 48 CO 0.04 -0.10 -0.14 -0.35 0.00 0.00 0.00 173.10 172.55 1xpn s ASP 49 N 0.45 3.56 -0.21 1.64 2.15 -0.63 -0.33 116.67 123.30 1xpn s ASP 49 Ca -0.07 -0.59 -0.14 0.00 0.43 0.00 0.00 52.55 52.19 1xpn s ASP 49 Cb -0.15 -1.57 -0.04 0.00 -0.30 0.00 0.00 42.92 40.85 1xpn s ASP 49 CO 0.04 -0.01 0.29 -0.22 -0.17 0.00 0.00 175.17 175.10 1xpn s LEU 50 N 1.35 4.16 -0.30 -1.34 2.96 0.97 -0.97 118.68 125.50 1xpn s LEU 50 Ca 0.05 0.37 -0.11 0.00 -0.22 0.00 0.00 54.13 54.22 1xpn s LEU 50 Cb -0.14 -2.34 0.18 0.00 0.50 0.00 0.00 46.19 44.39 1xpn s LEU 50 CO -0.10 0.01 0.96 -0.72 -1.32 0.00 0.00 176.35 175.19 1xpn s TYR 51 N 1.05 -0.74 -0.14 5.38 1.13 -0.50 -4.49 117.35 119.04 1xpn s TYR 51 Ca 0.14 0.78 -0.10 0.00 -1.41 0.00 0.00 57.07 56.48 1xpn s TYR 51 Cb -0.14 0.26 -0.05 0.00 -1.10 0.00 0.00 41.96 40.93 1xpn s TYR 51 CO 0.06 -0.40 0.20 -0.51 -2.51 0.00 0.00 175.55 172.38 1xpn s LEU 52 N 2.94 4.31 -0.05 -3.49 1.43 0.25 -3.97 118.68 120.10 1xpn s LEU 52 Ca 0.03 0.46 -0.24 0.00 -1.03 0.00 0.00 54.13 53.35 1xpn s LEU 52 Cb -0.11 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 1xpn s LEU 52 CO -0.13 0.27 0.74 0.42 0.23 0.00 0.00 176.35 177.88 1xpn s THR 53 N -0.29 5.00 0.83 5.49 -4.23 -1.23 -0.98 115.64 120.23 1xpn s THR 53 Ca 0.14 1.54 -0.08 0.00 -1.18 0.00 0.00 61.69 62.11 1xpn s THR 53 Cb -0.12 -4.08 0.16 0.00 1.34 0.00 0.00 72.50 69.79 1xpn s THR 53 CO 0.03 0.25 1.15 -0.94 -0.54 0.00 0.00 174.62 174.57 1xpn s SER 54 N 0.76 3.80 0.56 3.99 1.04 -0.31 -4.93 113.70 118.61 1xpn s SER 54 Ca 0.39 -0.04 0.34 0.00 0.48 0.00 0.00 55.95 57.12 1xpn s SER 54 Cb -0.18 -0.19 1.58 0.00 0.10 0.00 0.00 66.02 67.32 1xpn s SER 54 CO 0.20 -2.25 2.08 0.00 0.98 0.00 0.00 173.24 174.24 1xpn h ALA 55 N -1.04 1.07 -0.01 5.32 0.00 -1.98 -1.02 119.26 121.61 1xpn h ALA 55 Ca -0.40 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1xpn h ALA 55 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1xpn h ALA 55 CO 0.40 0.07 -0.18 -1.13 0.00 0.00 0.00 179.25 178.40 1xpn n SER 56 N -3.26 0.72 0.00 0.00 3.41 -1.26 -4.90 113.62 108.33 1xpn n SER 56 Ca -0.01 -0.69 0.00 0.00 -0.26 0.00 0.00 58.87 57.91 1xpn n SER 56 Cb 0.25 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1xpn n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xpn n GLY 57 N 1.32 0.73 3.86 5.00 0.00 -0.39 -5.06 105.19 110.65 1xpn n GLY 57 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1xpn n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xpn s ALA 58 N -2.03 3.06 -0.29 4.61 0.00 -1.26 -4.79 121.76 121.06 1xpn s ALA 58 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 51.96 51.96 1xpn s ALA 58 Cb 0.00 -3.10 0.03 0.00 0.00 0.00 0.00 23.12 20.05 1xpn s ALA 58 CO 0.00 -0.54 0.02 0.42 0.00 0.00 0.00 175.76 175.66 1xpn s ILE 59 N -2.94 3.31 -0.49 0.00 1.01 -1.26 -1.16 121.20 119.66 1xpn s ILE 59 Ca 0.57 -1.10 -0.17 0.00 0.00 0.00 0.00 60.65 59.95 1xpn s ILE 59 Cb -0.11 -2.80 0.08 0.00 0.01 0.00 0.00 42.46 39.64 1xpn s ILE 59 CO 0.45 -0.00 0.48 -1.10 0.00 0.00 0.00 174.94 174.76 1xpn s GLN 60 N 1.35 3.02 0.03 2.79 1.11 -0.15 -4.92 119.66 122.88 1xpn s GLN 60 Ca -0.02 -1.27 -0.18 0.00 0.01 0.00 0.00 55.36 53.90 1xpn s GLN 60 Cb -0.18 -4.15 -0.10 0.00 -1.01 0.00 0.00 33.01 27.57 1xpn s GLN 60 CO -0.00 -1.13 1.28 0.87 0.01 0.00 0.00 175.29 176.31 1xpn h LYS 61 N 8.85 -0.63 0.00 2.91 1.79 -1.84 0.73 116.57 128.37 1xpn h LYS 61 Ca -0.28 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 1xpn h LYS 61 Cb 1.10 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1xpn h LYS 61 CO 0.93 -0.42 0.00 0.41 -1.08 0.00 0.00 179.45 179.29 1xpn n GLY 62 N -1.33 0.85 3.70 3.86 0.00 -1.26 -3.42 105.19 107.60 1xpn n GLY 62 Ca -0.08 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 1xpn n GLY 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xpn s THR 63 N 0.00 5.32 -1.30 2.61 2.01 -1.26 -4.20 115.64 118.82 1xpn s THR 63 Ca 0.00 0.16 -0.00 0.00 0.31 0.00 0.00 61.69 62.15 1xpn s THR 63 Cb 0.00 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 69.08 1xpn s THR 63 CO 0.00 0.42 0.05 0.59 -0.69 0.00 0.00 174.62 174.99 1xpn n ASN 64 N 3.68 -4.66 -4.83 3.53 3.02 -1.13 -4.99 115.26 109.88 1xpn n ASN 64 Ca -0.16 -0.04 -0.36 0.00 -0.03 0.00 0.00 54.58 53.99 1xpn n ASN 64 Cb 0.52 -3.76 -0.06 0.00 -0.61 0.00 0.00 39.78 35.87 1xpn n ASN 64 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xpn s THR 65 N -2.79 4.77 -0.29 3.41 2.01 -1.26 -4.74 115.64 116.75 1xpn s THR 65 Ca 0.02 1.02 -0.13 0.00 0.31 0.00 0.00 61.69 62.91 1xpn s THR 65 Cb -0.01 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 1xpn s THR 65 CO 0.03 0.32 0.30 -0.75 -0.69 0.00 0.00 174.62 173.83 1xpn s LYS 66 N -1.73 3.91 -0.24 4.92 2.20 -1.26 0.09 119.74 127.62 1xpn s LYS 66 Ca 0.36 -0.18 -0.10 0.00 -0.36 0.00 0.00 55.97 55.69 1xpn s LYS 66 Cb -0.17 -3.68 -0.05 0.00 -1.51 0.00 0.00 37.83 32.42 1xpn s LYS 66 CO 0.19 -0.28 0.15 0.08 -0.36 0.00 0.00 175.35 175.13 1xpn s VAL 67 N 1.94 5.27 -0.30 4.02 1.01 0.14 -4.40 120.40 128.08 1xpn s VAL 67 Ca 0.11 0.15 -0.12 0.00 0.00 0.00 0.00 61.98 62.12 1xpn s VAL 67 Cb -0.16 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1xpn s VAL 67 CO 0.11 0.35 0.21 0.00 0.00 0.00 0.00 175.10 175.77 1xpn s ALA 68 N 1.06 3.52 -0.40 5.51 0.00 0.44 -0.32 121.76 131.57 1xpn s ALA 68 Ca 0.07 -1.21 -0.13 0.00 0.00 0.00 0.00 51.96 50.69 1xpn s ALA 68 Cb -0.14 -2.56 0.03 0.00 0.00 0.00 0.00 23.12 20.45 1xpn s ALA 68 CO 0.04 -0.73 0.27 -1.17 0.00 0.00 0.00 175.76 174.17 1xpn s LEU 69 N 1.75 4.99 0.07 0.00 2.96 0.75 -1.13 118.68 128.07 1xpn s LEU 69 Ca 0.07 -0.99 0.09 0.00 -0.22 0.00 0.00 54.13 53.08 1xpn s LEU 69 Cb -0.17 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 1xpn s LEU 69 CO 0.11 -0.44 -0.25 -1.83 -1.32 0.00 0.00 176.35 172.61 1xpn s GLU 70 N 1.62 1.74 0.05 1.98 -1.05 -0.74 -1.71 118.70 120.58 1xpn s GLU 70 Ca 0.04 -1.15 -0.30 0.00 -0.15 0.00 0.00 54.97 53.40 1xpn s GLU 70 Cb -0.20 -1.99 -0.08 0.00 -0.44 0.00 0.00 34.13 31.43 1xpn s GLU 70 CO 0.08 0.50 1.65 -2.14 0.95 0.00 0.00 175.26 176.31 1xpn s PRO 71 N -1.48 4.20 -0.21 -4.83 0.02 -1.26 0.23 135.00 131.68 1xpn s PRO 71 Ca 0.13 2.31 -0.29 0.00 0.02 0.00 0.00 61.00 63.17 1xpn s PRO 71 Cb -0.10 -3.67 -0.04 0.00 0.02 0.00 0.00 34.50 30.71 1xpn s PRO 71 CO 0.04 -0.75 1.79 0.00 -0.33 0.00 0.00 177.00 177.75 1xpn s ALA 72 N 2.89 3.15 0.01 -1.55 0.00 0.77 -4.71 121.76 122.32 1xpn s ALA 72 Ca 0.74 0.59 0.05 0.00 0.00 0.00 0.00 51.96 53.34 1xpn s ALA 72 Cb -0.39 -3.92 -0.02 0.00 0.00 0.00 0.00 23.12 18.80 1xpn s ALA 72 CO 0.32 -2.16 -0.16 0.95 0.00 0.00 0.00 175.76 174.71 1xpn s THR 73 N 5.92 1.24 0.45 0.00 -4.23 -1.26 -4.72 115.64 113.04 1xpn s THR 73 Ca 0.80 -0.82 0.32 0.00 -1.18 0.00 0.00 61.69 60.81 1xpn s THR 73 Cb -0.28 -1.07 0.35 0.00 1.34 0.00 0.00 72.50 72.84 1xpn s THR 73 CO 0.32 0.23 2.15 0.77 -0.54 0.00 0.00 174.62 177.56 1xpn h SER 74 N 5.42 0.00 0.03 3.99 4.64 -1.99 -0.07 113.55 125.56 1xpn h SER 74 Ca -0.37 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1xpn h SER 74 Cb 1.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1xpn h SER 74 CO 0.47 0.06 -0.01 0.22 -0.87 0.00 0.00 176.83 176.69 1xpn h TYR 75 N 0.00 0.00 -0.16 4.77 3.20 -1.94 -2.13 116.97 120.71 1xpn h TYR 75 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1xpn h TYR 75 Cb 0.24 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.51 1xpn h TYR 75 CO 0.00 0.01 0.00 -1.33 -1.64 0.00 0.00 178.16 175.20 1xpn n MET 76 N -4.02 2.24 0.16 1.82 2.81 -0.04 -4.26 117.12 115.82 1xpn n MET 76 Ca -0.03 -1.83 0.03 0.00 -1.81 0.00 0.00 57.70 54.07 1xpn n MET 76 Cb 0.10 -1.47 0.43 0.00 -0.71 0.00 0.00 33.22 31.57 1xpn n MET 76 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1xpn h LYS 77 N 4.05 0.15 0.13 0.03 3.64 -1.41 0.54 116.57 123.69 1xpn h LYS 77 Ca 0.00 -0.03 -0.30 0.00 -1.27 0.00 0.00 60.65 59.04 1xpn h LYS 77 Cb 0.87 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1xpn h LYS 77 CO 0.00 0.30 -1.49 0.00 -2.27 0.00 0.00 179.45 176.00 1xpn h ALA 78 N 1.71 0.21 -0.83 5.00 0.00 -1.78 -3.32 119.26 120.26 1xpn h ALA 78 Ca 0.03 -1.06 -0.03 0.00 0.00 0.00 0.00 54.91 53.85 1xpn h ALA 78 Cb 0.36 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1xpn h ALA 78 CO 0.02 1.08 0.41 -0.92 0.00 0.00 0.00 179.25 179.85 1xpn h TYR 79 N 0.07 1.18 -0.73 0.00 5.03 -1.62 -2.05 116.97 118.86 1xpn h TYR 79 Ca -0.23 -0.05 0.13 0.00 2.58 0.00 0.00 58.73 61.16 1xpn h TYR 79 Cb 2.02 -0.37 -0.05 0.00 1.55 0.00 0.00 36.73 39.88 1xpn h TYR 79 CO 0.07 0.84 0.48 -0.92 -1.32 0.00 0.00 178.16 177.32 1xpn h TYR 80 N 1.17 0.53 0.00 -3.82 3.20 -1.02 -0.82 116.97 116.21 1xpn h TYR 80 Ca 0.29 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.16 1xpn h TYR 80 Cb 0.09 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.19 1xpn h TYR 80 CO 0.01 0.22 -0.07 0.00 -1.64 0.00 0.00 178.16 176.68 1xpn h ALA 81 N 1.65 1.08 0.17 1.82 0.00 -1.46 -2.73 119.26 119.78 1xpn h ALA 81 Ca 0.35 -0.06 -0.34 0.00 0.00 0.00 0.00 54.91 54.86 1xpn h ALA 81 Cb 0.72 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.50 1xpn h ALA 81 CO -0.12 0.08 -1.66 0.87 0.00 0.00 0.00 179.25 178.43 1xpn h LYS 82 N 0.00 0.35 0.00 0.00 1.57 -1.20 -3.47 116.57 113.82 1xpn h LYS 82 Ca -0.00 -0.60 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 1xpn h LYS 82 Cb 0.40 0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1xpn h LYS 82 CO 0.01 1.25 0.00 1.19 -0.57 0.00 0.00 179.45 181.33 1xpn n PHE 83 N -3.54 0.00 -2.15 -1.35 3.72 -1.04 -5.06 117.46 108.04 1xpn n PHE 83 Ca -0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 1xpn n PHE 83 Cb 1.07 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.61 1xpn n PHE 83 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xpn n GLY 84 N 3.21 2.96 3.55 1.37 0.00 -1.16 -3.97 105.19 111.16 1xpn n GLY 84 Ca 0.00 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 1xpn n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xpn s ASN 85 N -4.00 6.61 -0.08 1.61 2.20 -1.25 -4.55 114.94 115.48 1xpn s ASN 85 Ca 0.00 -1.80 0.02 0.00 -0.94 0.00 0.00 52.86 50.14 1xpn s ASN 85 Cb 0.00 -2.55 0.01 0.00 -2.00 0.00 0.00 41.25 36.72 1xpn s ASN 85 CO 0.00 -1.36 -0.14 -0.22 -2.94 0.00 0.00 177.10 172.45 1xpn s LEU 86 N 4.43 1.66 0.31 3.54 0.20 -1.03 -4.97 118.68 122.82 1xpn s LEU 86 Ca 0.46 -0.36 -0.30 0.00 0.69 0.00 0.00 54.13 54.63 1xpn s LEU 86 Cb 0.00 -0.95 -0.12 0.00 -0.43 0.00 0.00 46.19 44.70 1xpn s LEU 86 CO -0.06 0.03 1.56 0.47 -0.29 0.00 0.00 176.35 178.06 1xpn n ASP 87 N 4.00 3.78 -0.20 3.68 9.92 -1.26 -2.24 116.55 134.23 1xpn n ASP 87 Ca -0.21 1.17 0.18 0.00 -0.53 0.00 0.00 54.79 55.40 1xpn n ASP 87 Cb 0.52 -1.59 0.53 0.00 -0.64 0.00 0.00 41.12 39.93 1xpn n ASP 87 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xpn h ALA 88 N 4.29 2.21 0.00 2.24 0.00 -0.94 0.35 119.26 127.43 1xpn h ALA 88 Ca -0.48 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1xpn h ALA 88 Cb 1.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1xpn h ALA 88 CO 0.75 -0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.54 1xpn n ALA 89 N -2.53 1.81 0.92 0.00 0.00 -1.26 -2.41 120.51 117.04 1xpn n ALA 89 Ca 0.17 0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.72 1xpn n ALA 89 Cb 0.64 -1.36 -0.04 0.00 0.00 0.00 0.00 19.45 18.69 1xpn n ALA 89 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xpn n LYS 90 N -1.95 1.08 -1.91 0.00 5.02 0.12 -4.89 118.16 115.63 1xpn n LYS 90 Ca 0.03 -0.64 -0.39 0.00 -2.02 0.00 0.00 58.31 55.29 1xpn n LYS 90 Cb 0.25 -1.42 -0.03 0.00 -0.02 0.00 0.00 35.03 33.81 1xpn n LYS 90 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1xpn s ARG 91 N -2.50 2.72 -0.22 1.97 3.52 -1.01 -4.93 118.95 118.50 1xpn s ARG 91 Ca 0.14 1.04 -0.18 0.00 -0.13 0.00 0.00 55.73 56.60 1xpn s ARG 91 Cb 0.16 -4.38 -0.03 0.00 -1.56 0.00 0.00 34.95 29.14 1xpn s ARG 91 CO 0.62 -2.60 0.49 0.34 -0.81 0.00 0.00 175.30 173.34 1xpn s ASP 92 N 8.43 6.49 0.61 -2.12 2.15 -1.26 -4.95 116.67 126.01 1xpn s ASP 92 Ca 0.78 0.59 0.32 0.00 0.43 0.00 0.00 52.55 54.67 1xpn s ASP 92 Cb -0.17 -2.27 1.91 0.00 -0.30 0.00 0.00 42.92 42.09 1xpn s ASP 92 CO 0.26 -0.19 2.26 -0.65 -0.17 0.00 0.00 175.17 176.67 1xpn h PRO 93 N 7.62 0.00 -0.36 4.34 0.11 -2.01 -1.43 132.00 140.26 1xpn h PRO 93 Ca -0.33 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.75 1xpn h PRO 93 Cb 1.15 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1xpn h PRO 93 CO 0.72 0.00 0.09 0.22 -0.21 0.00 0.00 178.00 178.82 1xpn h ASP 94 N 0.00 0.48 -2.84 -2.05 1.82 -2.01 -3.38 116.42 108.45 1xpn h ASP 94 Ca 0.01 -0.06 -0.57 0.00 -0.39 0.00 0.00 57.03 56.02 1xpn h ASP 94 Cb 0.07 -0.12 -0.09 0.00 0.68 0.00 0.00 39.33 39.86 1xpn h ASP 94 CO -0.00 0.49 0.88 -0.69 -1.61 0.00 0.00 179.24 178.30 1xpn s VAL 95 N -5.14 4.02 -0.05 2.25 1.01 -0.54 -5.01 120.40 116.94 1xpn s VAL 95 Ca -0.08 0.46 -0.12 0.00 0.00 0.00 0.00 61.98 62.24 1xpn s VAL 95 Cb 0.16 -4.75 -0.05 0.00 0.00 0.00 0.00 36.38 31.74 1xpn s VAL 95 CO 0.75 -1.50 0.30 0.00 0.00 0.00 0.00 175.10 174.66 1xpn s GLN 96 N 4.93 3.74 0.01 2.72 -2.07 -1.26 -4.89 119.66 122.84 1xpn s GLN 96 Ca 0.35 0.20 -0.30 0.00 -1.82 0.00 0.00 55.36 53.79 1xpn s GLN 96 Cb -0.10 -3.21 -0.06 0.00 -1.09 0.00 0.00 33.01 28.55 1xpn s GLN 96 CO 0.19 0.72 1.49 -2.14 -1.32 0.00 0.00 175.29 174.23 1xpn s PRO 97 N -1.04 4.25 0.69 9.60 0.02 -1.26 -5.00 135.00 142.26 1xpn s PRO 97 Ca 0.20 2.08 -0.17 0.00 0.02 0.00 0.00 61.00 63.13 1xpn s PRO 97 Cb -0.15 -3.63 0.01 0.00 0.02 0.00 0.00 34.50 30.76 1xpn s PRO 97 CO 0.10 -0.65 1.28 -2.14 -0.33 0.00 0.00 177.00 175.25 1xpn s PRO 98 N 2.67 2.31 -0.25 5.54 0.02 -1.26 -4.90 135.00 139.12 1xpn s PRO 98 Ca 0.67 2.00 -0.29 0.00 0.02 0.00 0.00 61.00 63.41 1xpn s PRO 98 Cb -0.34 -1.82 -0.03 0.00 0.02 0.00 0.00 34.50 32.33 1xpn s PRO 98 CO 0.28 -1.77 1.77 0.08 -0.33 0.00 0.00 177.00 177.03 1xpn s VAL 99 N -1.56 3.49 0.77 3.83 1.01 -1.26 -4.98 120.40 121.70 1xpn s VAL 99 Ca 0.81 0.53 -0.08 0.00 0.00 0.00 0.00 61.98 63.24 1xpn s VAL 99 Cb -0.36 -3.57 0.11 0.00 0.00 0.00 0.00 36.38 32.56 1xpn s VAL 99 CO 0.43 -0.30 1.09 -0.76 0.00 0.00 0.00 175.10 175.56 1xpn s LEU 100 N 6.18 2.81 0.25 3.92 1.43 -1.26 -5.05 118.68 126.96 1xpn s LEU 100 Ca 0.79 0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 53.87 1xpn s LEU 100 Cb -0.26 -2.71 -0.09 0.00 0.03 0.00 0.00 46.19 43.16 1xpn s LEU 100 CO 0.33 -1.93 1.07 -0.62 0.23 0.00 0.00 176.35 175.42 1xpn s ASP 101 N -4.65 7.35 0.54 2.29 -1.08 -1.26 -4.94 116.67 114.92 1xpn s ASP 101 Ca 0.65 2.17 0.28 0.00 -0.52 0.00 0.00 52.55 55.13 1xpn s ASP 101 Cb -0.08 -2.62 1.44 0.00 -1.46 0.00 0.00 42.92 40.20 1xpn s ASP 101 CO 0.47 -0.09 1.96 1.55 0.52 0.00 0.00 175.17 179.57 1xpn h PRO 102 N 4.12 0.00 0.00 4.34 0.13 -2.03 0.64 132.00 139.20 1xpn h PRO 102 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1xpn h PRO 102 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1xpn h PRO 102 CO 0.68 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.45 1xpn h ARG 103 N 0.00 0.00 -0.30 0.86 3.08 -1.99 -1.82 114.38 114.20 1xpn h ARG 103 Ca 0.29 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.38 1xpn h ARG 103 Cb 1.21 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.23 1xpn h ARG 103 CO -0.00 0.00 0.06 0.00 -1.07 0.00 0.00 179.97 178.96 1xpn h ARG 104 N 0.00 0.17 0.00 0.04 2.47 -1.24 -1.58 114.38 114.23 1xpn h ARG 104 Ca 0.00 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1xpn h ARG 104 Cb 0.23 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.51 1xpn h ARG 104 CO 0.00 0.11 0.00 0.00 0.56 0.00 0.00 179.97 180.64 1xpn h ALA 105 N 1.22 1.00 0.07 0.04 0.00 -1.51 0.63 119.26 120.72 1xpn h ALA 105 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.76 1xpn h ALA 105 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1xpn h ALA 105 CO -0.19 0.00 -1.51 1.15 0.00 0.00 0.00 179.25 178.70 1xpn h THR 106 N 0.00 1.14 0.00 0.00 2.02 -1.38 -3.37 112.91 111.32 1xpn h THR 106 Ca 0.00 -2.85 -0.09 0.00 0.77 0.00 0.00 66.41 64.24 1xpn h THR 106 Cb 0.24 2.68 -0.02 0.00 -1.74 0.00 0.00 68.15 69.31 1xpn h THR 106 CO 0.00 0.77 -1.63 -1.22 0.37 0.00 0.00 175.52 173.81 1xpn n TYR 107 N -3.34 0.51 -2.39 3.16 4.01 -0.65 -4.78 117.16 113.68 1xpn n TYR 107 Ca -0.15 0.16 -0.40 0.00 -0.16 0.00 0.00 57.90 57.35 1xpn n TYR 107 Cb 1.03 -0.84 -0.03 0.00 -0.31 0.00 0.00 39.34 39.19 1xpn n TYR 107 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1xpn s VAL 108 N -3.19 3.62 0.09 -0.72 1.01 0.12 -4.65 120.40 116.68 1xpn s VAL 108 Ca -0.05 0.29 -0.21 0.00 0.00 0.00 0.00 61.98 62.01 1xpn s VAL 108 Cb 0.10 -4.63 -0.07 0.00 0.00 0.00 0.00 36.38 31.79 1xpn s VAL 108 CO 0.84 -1.57 0.62 -0.13 0.00 0.00 0.00 175.10 174.86 1xpn s ARG 109 N 6.11 4.30 -0.20 2.72 0.52 -0.70 -4.86 118.95 126.84 1xpn s ARG 109 Ca 0.45 0.85 -0.03 0.00 -0.52 0.00 0.00 55.73 56.48 1xpn s ARG 109 Cb -0.09 -3.25 -0.01 0.00 0.52 0.00 0.00 34.95 32.12 1xpn s ARG 109 CO 0.15 0.61 -0.07 -1.21 0.02 0.00 0.00 175.30 174.80 1xpn s GLU 110 N -1.07 3.35 -0.12 3.54 2.02 -1.26 -0.18 118.70 124.99 1xpn s GLU 110 Ca 0.31 -0.65 0.02 0.00 0.02 0.00 0.00 54.97 54.67 1xpn s GLU 110 Cb -0.20 -2.91 -0.01 0.00 0.10 0.00 0.00 34.13 31.11 1xpn s GLU 110 CO 0.21 -0.12 -0.19 0.00 0.02 0.00 0.00 175.26 175.18 1xpn s ALA 111 N 1.25 2.39 -0.14 5.21 0.00 0.56 -4.93 121.76 126.10 1xpn s ALA 111 Ca 0.03 -0.93 -0.20 0.00 0.00 0.00 0.00 51.96 50.86 1xpn s ALA 111 Cb -0.14 -1.01 -0.03 0.00 0.00 0.00 0.00 23.12 21.93 1xpn s ALA 111 CO -0.03 0.26 0.57 0.99 0.00 0.00 0.00 175.76 177.55 1xpn s THR 112 N 0.36 5.10 0.32 0.00 2.01 -1.26 0.28 115.64 122.45 1xpn s THR 112 Ca -0.15 1.11 -0.29 0.00 0.31 0.00 0.00 61.69 62.68 1xpn s THR 112 Cb -0.17 -3.90 -0.10 0.00 0.01 0.00 0.00 72.50 68.34 1xpn s THR 112 CO 0.07 0.23 1.30 0.42 -0.69 0.00 0.00 174.62 175.95 1xpn s THR 113 N 1.17 2.76 1.16 -0.82 -4.23 0.11 -4.87 115.64 110.92 1xpn s THR 113 Ca 0.29 0.76 -0.16 0.00 -1.18 0.00 0.00 61.69 61.39 1xpn s THR 113 Cb -0.16 -3.48 0.27 0.00 1.34 0.00 0.00 72.50 70.47 1xpn s THR 113 CO 0.12 0.18 1.06 -0.62 -0.54 0.00 0.00 174.62 174.82 1xpn s ASP 114 N -0.45 1.17 0.39 3.99 2.15 0.11 -2.82 116.67 121.22 1xpn s ASP 114 Ca 0.49 1.00 0.14 0.00 0.43 0.00 0.00 52.55 54.61 1xpn s ASP 114 Cb -0.39 -1.51 0.97 0.00 -0.30 0.00 0.00 42.92 41.69 1xpn s ASP 114 CO 0.52 -4.01 1.87 -0.61 -0.17 0.00 0.00 175.17 172.77 1xpn h GLN 115 N -2.50 0.50 -0.39 4.34 4.15 -1.91 0.14 115.11 119.45 1xpn h GLN 115 Ca -0.52 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.87 1xpn h GLN 115 Cb 1.32 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.90 1xpn h GLN 115 CO 0.45 0.33 0.00 -1.71 -1.93 0.00 0.00 178.83 175.97 1xpn n ASN 116 N -4.53 1.81 -0.53 -0.69 5.15 -1.26 -4.79 115.26 110.42 1xpn n ASN 116 Ca 0.18 -2.06 -0.07 0.00 -0.60 0.00 0.00 54.58 52.03 1xpn n ASN 116 Cb 0.58 -0.26 -0.03 0.00 -0.53 0.00 0.00 39.78 39.54 1xpn n ASN 116 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xpn n GLY 117 N 0.85 0.90 3.81 8.20 0.00 0.50 -4.77 105.19 114.68 1xpn n GLY 117 Ca 0.10 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 1xpn n GLY 117 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xpn s ARG 118 N -2.41 4.13 -0.09 1.61 6.06 -1.25 -0.02 118.95 126.97 1xpn s ARG 118 Ca 0.00 0.60 -0.04 0.00 -2.50 0.00 0.00 55.73 53.79 1xpn s ARG 118 Cb 0.00 -3.26 0.05 0.00 0.06 0.00 0.00 34.95 31.80 1xpn s ARG 118 CO 0.00 0.58 0.18 -0.59 -2.50 0.00 0.00 175.30 172.98 1xpn s PHE 119 N -0.84 -0.23 -0.08 5.12 -0.71 0.55 0.06 117.98 121.85 1xpn s PHE 119 Ca 0.27 0.65 0.02 0.00 -1.04 0.00 0.00 56.93 56.83 1xpn s PHE 119 Cb -0.18 -0.14 -0.02 0.00 -1.21 0.00 0.00 43.02 41.47 1xpn s PHE 119 CO 0.16 -0.25 -0.13 -0.51 -1.34 0.00 0.00 175.22 173.15 1xpn s ASP 120 N 1.89 4.08 -0.28 1.98 1.11 -1.26 -0.67 116.67 123.52 1xpn s ASP 120 Ca -0.02 -0.23 -0.02 0.00 0.18 0.00 0.00 52.55 52.47 1xpn s ASP 120 Cb -0.12 -1.14 0.04 0.00 1.07 0.00 0.00 42.92 42.78 1xpn s ASP 120 CO -0.07 0.28 -0.02 -0.36 1.18 0.00 0.00 175.17 176.19 1xpn s PHE 121 N -0.36 3.19 0.42 4.23 0.08 -0.13 -4.97 117.98 120.46 1xpn s PHE 121 Ca 0.04 -1.76 0.06 0.00 0.12 0.00 0.00 56.93 55.39 1xpn s PHE 121 Cb -0.12 -2.09 0.01 0.00 -0.57 0.00 0.00 43.02 40.25 1xpn s PHE 121 CO 0.02 -0.78 0.59 0.16 -0.10 0.00 0.00 175.22 175.12 1xpn s ASP 122 N 1.28 5.68 -0.97 1.36 -4.77 -1.26 -0.22 116.67 117.77 1xpn s ASP 122 Ca -0.03 -0.25 -0.03 0.00 -3.30 0.00 0.00 52.55 48.94 1xpn s ASP 122 Cb -0.19 -0.89 -0.04 0.00 -1.09 0.00 0.00 42.92 40.72 1xpn s ASP 122 CO -0.02 -0.75 0.83 1.41 0.70 0.00 0.00 175.17 177.35 1xpn n HIS 123 N -1.90 -2.07 -3.87 2.11 8.25 -1.17 -4.98 115.22 111.59 1xpn n HIS 123 Ca 0.06 0.78 -0.36 0.00 -0.26 0.00 0.00 57.72 57.94 1xpn n HIS 123 Cb 0.59 -4.23 -0.13 0.00 1.12 0.00 0.00 29.99 27.34 1xpn n HIS 123 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1xpn s ILE 124 N -3.33 3.21 0.69 1.59 -1.09 -0.78 -4.43 121.20 117.05 1xpn s ILE 124 Ca 0.25 -1.29 -0.13 0.00 -2.23 0.00 0.00 60.65 57.26 1xpn s ILE 124 Cb -0.03 -2.82 0.01 0.00 -1.58 0.00 0.00 42.46 38.04 1xpn s ILE 124 CO 0.65 -0.11 1.08 -2.16 -1.23 0.00 0.00 174.94 173.17 1xpn s PRO 125 N 1.30 2.77 0.09 2.79 0.04 -1.26 -1.33 135.00 139.40 1xpn s PRO 125 Ca -0.04 1.16 -0.31 0.00 0.04 0.00 0.00 61.00 61.85 1xpn s PRO 125 Cb -0.19 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.32 1xpn s PRO 125 CO -0.00 -1.24 1.25 -0.80 0.04 0.00 0.00 177.00 176.24 1xpn s ASN 126 N -3.22 7.02 0.00 6.66 0.02 -1.26 -4.92 114.94 119.24 1xpn s ASN 126 Ca 0.62 2.12 0.00 0.00 -1.02 0.00 0.00 52.86 54.58 1xpn s ASN 126 Cb -0.17 -2.58 0.00 0.00 0.02 0.00 0.00 41.25 38.52 1xpn s ASN 126 CO 0.49 -0.50 0.00 0.61 0.02 0.00 0.00 177.10 177.72 1xpn n GLY 127 N 3.15 -1.67 3.88 0.66 0.00 -0.01 -5.00 105.19 106.21 1xpn n GLY 127 Ca 0.09 -1.12 -0.36 0.00 0.00 0.00 0.00 46.02 44.63 1xpn n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xpn s THR 128 N -2.65 5.45 0.06 2.61 2.01 -1.26 -0.02 115.64 121.84 1xpn s THR 128 Ca 0.00 0.15 0.03 0.00 0.31 0.00 0.00 61.69 62.19 1xpn s THR 128 Cb 0.00 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 1xpn s THR 128 CO 0.00 0.53 -0.10 -0.31 -0.69 0.00 0.00 174.62 174.05 1xpn s TYR 129 N -1.13 0.86 -0.26 4.92 1.51 0.13 -0.17 117.35 123.23 1xpn s TYR 129 Ca 0.19 -0.52 -0.07 0.00 -1.01 0.00 0.00 57.07 55.66 1xpn s TYR 129 Cb -0.12 -0.50 -0.01 0.00 -0.11 0.00 0.00 41.96 41.21 1xpn s TYR 129 CO 0.09 -0.04 0.06 0.71 -1.11 0.00 0.00 175.55 175.26 1xpn s TYR 130 N -1.55 3.09 -0.46 2.71 2.02 0.14 -1.46 117.35 121.83 1xpn s TYR 130 Ca -0.05 -0.66 -0.18 0.00 -0.37 0.00 0.00 57.07 55.81 1xpn s TYR 130 Cb -0.09 -2.23 0.04 0.00 -0.40 0.00 0.00 41.96 39.28 1xpn s TYR 130 CO 0.01 -0.45 0.53 0.42 -1.57 0.00 0.00 175.55 174.49 1xpn s ILE 131 N 1.56 4.99 -0.19 2.71 1.01 0.02 -1.80 121.20 129.51 1xpn s ILE 131 Ca 0.05 -0.43 -0.02 0.00 0.00 0.00 0.00 60.65 60.25 1xpn s ILE 131 Cb -0.16 -4.17 -0.00 0.00 0.01 0.00 0.00 42.46 38.14 1xpn s ILE 131 CO 0.03 -0.62 -0.10 -0.44 0.00 0.00 0.00 174.94 173.81 1xpn s SER 132 N 2.28 3.92 -0.07 3.58 0.01 -0.29 -0.18 113.70 122.95 1xpn s SER 132 Ca 0.14 -0.45 -0.07 0.00 1.31 0.00 0.00 55.95 56.87 1xpn s SER 132 Cb -0.18 -1.64 0.02 0.00 0.21 0.00 0.00 66.02 64.42 1xpn s SER 132 CO 0.13 0.02 0.20 -0.55 0.41 0.00 0.00 173.24 173.45 1xpn s SER 133 N 1.21 -0.19 -0.46 2.44 0.15 -1.03 -0.42 113.70 115.40 1xpn s SER 133 Ca 0.02 0.34 -0.11 0.00 0.70 0.00 0.00 55.95 56.91 1xpn s SER 133 Cb -0.14 0.39 0.10 0.00 -1.71 0.00 0.00 66.02 64.66 1xpn s SER 133 CO -0.04 -0.11 0.34 -0.70 1.20 0.00 0.00 173.24 173.93 1xpn s GLU 134 N -0.07 2.67 -0.29 5.44 2.12 -1.26 -0.88 118.70 126.43 1xpn s GLU 134 Ca -0.02 -1.58 -0.06 0.00 0.36 0.00 0.00 54.97 53.68 1xpn s GLU 134 Cb -0.02 -3.95 0.01 0.00 0.26 0.00 0.00 34.13 30.43 1xpn s GLU 134 CO 0.01 -1.09 0.06 -1.17 -0.54 0.00 0.00 175.26 172.52 1xpn s LEU 135 N 1.46 3.73 0.07 2.70 2.96 -0.72 -4.88 118.68 124.01 1xpn s LEU 135 Ca 0.04 -0.72 0.09 0.00 -0.22 0.00 0.00 54.13 53.32 1xpn s LEU 135 Cb -0.25 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 1xpn s LEU 135 CO 0.02 -0.18 -0.24 0.42 -1.32 0.00 0.00 176.35 175.06 1xpn s THR 136 N 1.47 1.92 0.03 3.68 -4.23 -1.26 -1.77 115.64 115.48 1xpn s THR 136 Ca 0.02 -1.43 -0.00 0.00 -1.18 0.00 0.00 61.69 59.10 1xpn s THR 136 Cb -0.17 -1.68 -0.03 0.00 1.34 0.00 0.00 72.50 71.96 1xpn s THR 136 CO 0.01 0.17 -0.03 -1.66 -0.54 0.00 0.00 174.62 172.58 1xpn s TRP 137 N -0.92 0.34 -0.22 3.99 -2.14 -0.25 -4.99 118.94 114.74 1xpn s TRP 137 Ca 0.10 -0.66 -0.07 0.00 2.66 0.00 0.00 56.10 58.13 1xpn s TRP 137 Cb -0.10 -0.24 -0.03 0.00 -3.10 0.00 0.00 33.47 30.00 1xpn s TRP 137 CO 0.03 -0.23 0.06 0.45 -2.66 0.00 0.00 176.95 174.59 1xpn s SER 138 N -1.82 5.23 -0.01 -2.66 0.15 -1.26 -0.36 113.70 112.97 1xpn s SER 138 Ca -0.10 -0.12 0.04 0.00 0.70 0.00 0.00 55.95 56.47 1xpn s SER 138 Cb -0.06 -1.92 -0.03 0.00 -1.71 0.00 0.00 66.02 62.31 1xpn s SER 138 CO -0.03 0.05 -0.12 0.00 1.20 0.00 0.00 173.24 174.34 1xpn s ALA 139 N 1.13 2.81 -0.18 5.45 0.00 0.15 -4.90 121.76 126.22 1xpn s ALA 139 Ca 0.04 -1.04 -0.24 0.00 0.00 0.00 0.00 51.96 50.72 1xpn s ALA 139 Cb -0.14 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 21.97 1xpn s ALA 139 CO 0.03 0.58 0.78 -0.65 0.00 0.00 0.00 175.76 176.51 1xpn s GLN 140 N -1.17 4.27 -0.30 0.00 -1.52 -1.26 -0.23 119.66 119.44 1xpn s GLN 140 Ca 0.14 0.91 -0.03 0.00 -1.95 0.00 0.00 55.36 54.44 1xpn s GLN 140 Cb -0.11 -3.58 0.11 0.00 -0.22 0.00 0.00 33.01 29.21 1xpn s GLN 140 CO 0.04 -0.32 0.15 0.45 -0.25 0.00 0.00 175.29 175.37 1xpn s SER 141 N 1.18 3.37 -0.99 5.90 0.15 0.19 -4.91 113.70 118.59 1xpn s SER 141 Ca 0.36 -1.43 -0.06 0.00 0.70 0.00 0.00 55.95 55.52 1xpn s SER 141 Cb -0.16 -0.33 0.01 0.00 -1.71 0.00 0.00 66.02 63.83 1xpn s SER 141 CO 0.12 -0.42 0.86 0.47 1.20 0.00 0.00 173.24 175.47 1xpn n ASP 142 N 5.04 -4.92 0.00 5.45 8.00 -1.26 -1.83 116.55 127.04 1xpn n ASP 142 Ca -0.03 -0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.07 1xpn n ASP 142 Cb 0.41 -3.86 0.00 0.00 -0.02 0.00 0.00 41.12 37.65 1xpn n ASP 142 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xpn n GLY 143 N -1.57 3.16 3.66 0.44 0.00 -1.26 -4.99 105.19 104.63 1xpn n GLY 143 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1xpn n GLY 143 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xpn s LYS 144 N -0.34 4.21 -0.61 1.61 2.20 -0.76 -5.02 119.74 121.03 1xpn s LYS 144 Ca 0.00 0.58 -0.21 0.00 -0.36 0.00 0.00 55.97 55.98 1xpn s LYS 144 Cb 0.00 -3.57 0.07 0.00 -1.51 0.00 0.00 37.83 32.82 1xpn s LYS 144 CO 0.00 -0.21 0.85 0.99 -0.36 0.00 0.00 175.35 176.61 1xpn s THR 145 N 1.83 4.53 0.65 3.43 2.01 -1.26 -0.64 115.64 126.20 1xpn s THR 145 Ca 0.28 -0.46 -0.02 0.00 0.31 0.00 0.00 61.69 61.80 1xpn s THR 145 Cb -0.16 -4.56 0.07 0.00 0.01 0.00 0.00 72.50 67.86 1xpn s THR 145 CO 0.10 -1.24 0.92 0.27 -0.69 0.00 0.00 174.62 173.98 1xpn s ILE 146 N 3.50 2.39 -0.15 1.82 -4.36 0.68 -4.83 121.20 120.25 1xpn s ILE 146 Ca 0.19 -0.53 0.01 0.00 -0.26 0.00 0.00 60.65 60.06 1xpn s ILE 146 Cb -0.19 -2.86 0.02 0.00 1.25 0.00 0.00 42.46 40.68 1xpn s ILE 146 CO 0.10 0.00 -0.16 -0.89 0.24 0.00 0.00 174.94 174.24 1xpn s THR 147 N -3.03 1.66 0.32 8.37 2.01 -1.26 -0.67 115.64 123.03 1xpn s THR 147 Ca 0.61 -0.70 0.09 0.00 0.31 0.00 0.00 61.69 62.00 1xpn s THR 147 Cb -0.09 -1.54 -0.05 0.00 0.01 0.00 0.00 72.50 70.84 1xpn s THR 147 CO 0.42 0.47 0.04 -1.61 -0.69 0.00 0.00 174.62 173.26 1xpn s GLU 148 N 1.35 2.23 0.00 4.92 2.02 0.52 -4.74 118.70 124.99 1xpn s GLU 148 Ca 0.03 -1.59 0.00 0.00 0.02 0.00 0.00 54.97 53.43 1xpn s GLU 148 Cb -0.13 -2.07 0.00 0.00 0.10 0.00 0.00 34.13 32.02 1xpn s GLU 148 CO -0.09 0.20 0.00 0.41 0.02 0.00 0.00 175.26 175.80 1xpn n GLY 149 N -0.99 -1.21 0.00 -1.39 0.00 -1.26 -1.09 105.19 99.24 1xpn n GLY 149 Ca -0.04 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.88 1xpn n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xpn n GLY 150 N 0.00 -0.04 3.47 -0.02 0.00 -0.73 -0.23 105.19 107.64 1xpn n GLY 150 Ca 0.00 -1.35 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 1xpn n GLY 150 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xpn s THR 151 N -3.02 4.43 -0.29 2.61 -4.23 -0.95 -1.76 115.64 112.43 1xpn s THR 151 Ca 0.00 -0.20 -0.18 0.00 -1.18 0.00 0.00 61.69 60.13 1xpn s THR 151 Cb 0.00 -4.58 -0.02 0.00 1.34 0.00 0.00 72.50 69.24 1xpn s THR 151 CO 0.00 -1.25 0.52 0.54 -0.54 0.00 0.00 174.62 173.89 1xpn s VAL 152 N 3.79 5.04 -0.27 2.29 0.11 -0.06 -2.46 120.40 128.83 1xpn s VAL 152 Ca 0.23 0.74 -0.09 0.00 -2.93 0.00 0.00 61.98 59.93 1xpn s VAL 152 Cb -0.16 -3.88 -0.03 0.00 -1.53 0.00 0.00 36.38 30.78 1xpn s VAL 152 CO 0.13 -0.01 0.13 -0.89 -3.33 0.00 0.00 175.10 171.12 1xpn s THR 153 N 2.36 4.68 -0.23 5.04 2.01 -1.26 -2.47 115.64 125.77 1xpn s THR 153 Ca 0.21 -0.13 -0.05 0.00 0.31 0.00 0.00 61.69 62.02 1xpn s THR 153 Cb -0.15 -3.25 -0.02 0.00 0.01 0.00 0.00 72.50 69.09 1xpn s THR 153 CO 0.11 0.24 0.01 -0.75 -0.69 0.00 0.00 174.62 173.54 1xpn s LYS 154 N 1.66 3.50 -0.22 4.92 2.47 0.74 -4.81 119.74 128.00 1xpn s LYS 154 Ca 0.06 -0.56 -0.25 0.00 -1.56 0.00 0.00 55.97 53.66 1xpn s LYS 154 Cb -0.16 -3.15 -0.01 0.00 -1.46 0.00 0.00 37.83 33.05 1xpn s LYS 154 CO 0.06 -0.20 0.84 -1.17 0.16 0.00 0.00 175.35 175.05 1xpn s LEU 155 N 1.54 4.11 -0.07 5.43 2.96 -1.26 -0.80 118.68 130.59 1xpn s LEU 155 Ca 0.06 1.10 0.02 0.00 -0.22 0.00 0.00 54.13 55.09 1xpn s LEU 155 Cb -0.15 -3.22 0.02 0.00 0.50 0.00 0.00 46.19 43.34 1xpn s LEU 155 CO -0.00 -0.49 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.75 1xpn s VAL 156 N 2.64 1.03 -0.31 1.68 1.01 -0.54 -5.01 120.40 120.90 1xpn s VAL 156 Ca 0.36 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.87 1xpn s VAL 156 Cb -0.16 -0.97 0.01 0.00 0.00 0.00 0.00 36.38 35.27 1xpn s VAL 156 CO 0.09 0.34 0.10 -0.89 0.00 0.00 0.00 175.10 174.74 1xpn s THR 157 N 0.84 4.08 -0.76 3.92 2.01 -1.26 0.22 115.64 124.69 1xpn s THR 157 Ca -0.11 -0.71 -0.16 0.00 0.31 0.00 0.00 61.69 61.02 1xpn s THR 157 Cb -0.15 -3.13 0.17 0.00 0.01 0.00 0.00 72.50 69.40 1xpn s THR 157 CO 0.02 0.03 0.77 -0.69 -0.69 0.00 0.00 174.62 174.06 1xpn s VAL 158 N 1.51 5.29 -0.33 3.82 1.01 0.98 -4.83 120.40 127.84 1xpn s VAL 158 Ca 0.02 -1.95 0.08 0.00 0.00 0.00 0.00 61.98 60.13 1xpn s VAL 158 Cb -0.17 -4.50 0.59 0.00 0.00 0.00 0.00 36.38 32.30 1xpn s VAL 158 CO 0.03 -1.09 1.64 -1.54 0.00 0.00 0.00 175.10 174.14 1xpn n SER 159 N 4.94 3.30 -3.79 3.32 3.41 -1.26 -0.83 113.62 122.70 1xpn n SER 159 Ca 0.07 -3.58 -0.10 0.00 -0.26 0.00 0.00 58.87 55.00 1xpn n SER 159 Cb 0.45 -0.70 -0.07 0.00 -0.26 0.00 0.00 64.21 63.64 1xpn n SER 159 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1xpn s GLY 160 N -1.92 -0.03 -0.05 5.00 0.00 -1.26 -5.04 107.32 104.02 1xpn s GLY 160 Ca 0.49 -0.38 0.17 0.00 0.00 0.00 0.00 44.72 45.00 1xpn s GLY 160 CO 0.06 -0.59 0.51 1.44 0.00 0.00 0.00 173.10 174.52 1xpn n SER 161 N 0.01 0.47 -4.77 1.64 7.64 -1.26 -4.73 113.62 112.62 1xpn n SER 161 Ca -0.16 0.21 -0.35 0.00 1.01 0.00 0.00 58.87 59.59 1xpn n SER 161 Cb 0.62 0.65 0.01 0.00 -1.01 0.00 0.00 64.21 64.48 1xpn n SER 161 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1xpn s GLN 162 N -2.82 3.21 -0.48 1.43 1.11 -1.26 -3.16 119.66 117.70 1xpn s GLN 162 Ca -0.06 1.59 -0.46 0.00 0.01 0.00 0.00 55.36 56.44 1xpn s GLN 162 Cb 0.08 -1.99 -0.19 0.00 -1.01 0.00 0.00 33.01 29.90 1xpn s GLN 162 CO 0.83 -0.96 1.70 -2.30 0.01 0.00 0.00 175.29 174.57 1xpn n PRO 163 N -1.55 0.13 -3.35 2.91 -0.02 -1.25 -4.53 135.00 127.34 1xpn n PRO 163 Ca 0.12 0.04 -0.41 0.00 -2.02 0.00 0.00 63.50 61.23 1xpn n PRO 163 Cb 0.51 -1.57 -0.09 0.00 -0.02 0.00 0.00 33.50 32.33 1xpn n PRO 163 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1xpn s GLN 164 N 3.51 3.55 -0.30 -0.52 2.00 0.10 -4.91 119.66 123.10 1xpn s GLN 164 Ca 1.07 -0.36 -0.26 0.00 -2.00 0.00 0.00 55.36 53.81 1xpn s GLN 164 Cb -1.45 -3.82 0.01 0.00 0.80 0.00 0.00 33.01 28.55 1xpn s GLN 164 CO 0.78 -0.58 0.91 0.21 -0.50 0.00 0.00 175.29 176.10 1xpn s LYS 165 N 2.14 4.04 -0.17 1.67 2.20 -1.26 0.14 119.74 128.50 1xpn s LYS 165 Ca 0.14 0.84 0.01 0.00 -0.36 0.00 0.00 55.97 56.60 1xpn s LYS 165 Cb -0.16 -3.72 0.03 0.00 -1.51 0.00 0.00 37.83 32.47 1xpn s LYS 165 CO 0.12 -0.73 -0.15 0.08 -0.36 0.00 0.00 175.35 174.31 1xpn s VAL 166 N 3.19 1.74 -0.40 4.02 1.01 0.13 -4.95 120.40 125.15 1xpn s VAL 166 Ca 0.38 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 1xpn s VAL 166 Cb -0.14 -1.66 0.04 0.00 0.00 0.00 0.00 36.38 34.63 1xpn s VAL 166 CO 0.12 0.41 0.25 -0.76 0.00 0.00 0.00 175.10 175.13 1xpn s LEU 167 N 1.40 4.97 -1.15 3.92 1.02 -1.26 -1.61 118.68 125.98 1xpn s LEU 167 Ca 0.03 -1.13 -0.16 0.00 0.02 0.00 0.00 54.13 52.90 1xpn s LEU 167 Cb -0.14 -2.05 0.15 0.00 0.02 0.00 0.00 46.19 44.17 1xpn s LEU 167 CO -0.11 -0.46 1.39 -0.22 0.02 0.00 0.00 176.35 176.98 1xpn s LEU 168 N 1.56 4.90 0.00 1.79 2.96 -0.14 -4.52 118.68 125.22 1xpn s LEU 168 Ca 0.03 -2.69 0.00 0.00 -0.22 0.00 0.00 54.13 51.25 1xpn s LEU 168 Cb -0.21 -2.42 0.00 0.00 0.50 0.00 0.00 46.19 44.06 1xpn s LEU 168 CO 0.06 -0.88 0.00 1.07 -1.32 0.00 0.00 176.35 175.28 1xpn n THR 169 N 5.04 0.00 0.00 3.68 5.66 -1.25 -1.41 114.28 125.99 1xpn n THR 169 Ca 0.35 -0.13 0.00 0.00 -3.05 0.00 0.00 64.05 61.22 1xpn n THR 169 Cb 0.45 0.59 0.00 0.00 -1.55 0.00 0.00 70.33 69.82 1xpn n THR 169 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88