#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpn n SER 2 N 0.00 4.13 -3.70 1.61 7.64 -1.26 -4.82 113.62 117.22 1xpn n SER 2 Ca 0.00 -2.84 -0.08 0.00 1.01 0.00 0.00 58.87 56.96 1xpn n SER 2 Cb 0.00 -1.66 -0.02 0.00 -1.01 0.00 0.00 64.21 61.52 1xpn n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1xpn s SER 3 N 4.38 -0.34 -0.01 6.43 0.01 -1.26 -5.12 113.70 117.80 1xpn s SER 3 Ca 0.55 -0.37 -0.30 0.00 1.31 0.00 0.00 55.95 57.13 1xpn s SER 3 Cb 0.07 0.64 -0.07 0.00 0.21 0.00 0.00 66.02 66.86 1xpn s SER 3 CO 0.05 -1.13 1.85 -1.00 0.41 0.00 0.00 173.24 173.41 1xpn s HIS 4 N -3.73 1.55 -0.86 2.43 3.76 -1.26 -4.91 115.29 112.28 1xpn s HIS 4 Ca 0.08 -0.17 -0.24 0.00 -0.15 0.00 0.00 55.06 54.58 1xpn s HIS 4 Cb -0.04 -4.11 0.05 0.00 1.11 0.00 0.00 32.58 29.59 1xpn s HIS 4 CO -0.00 -4.83 1.31 -1.01 -0.85 0.00 0.00 174.74 169.35 1xpn s HIS 5 N 4.44 2.48 -0.93 1.40 0.09 -1.26 -4.18 115.29 117.32 1xpn s HIS 5 Ca 0.83 -0.51 -0.07 0.00 -0.00 0.00 0.00 55.06 55.31 1xpn s HIS 5 Cb -0.38 -4.60 -0.02 0.00 -0.00 0.00 0.00 32.58 27.58 1xpn s HIS 5 CO 0.37 -1.94 0.76 1.58 -0.00 0.00 0.00 174.74 175.50 1xpn n HIS 6 N 8.83 -2.45 -2.77 1.40 -0.00 -1.26 -5.01 115.22 113.96 1xpn n HIS 6 Ca 0.16 0.85 0.00 0.00 0.46 0.00 0.00 57.72 59.19 1xpn n HIS 6 Cb 0.49 -3.73 0.00 0.00 -0.12 0.00 0.00 29.99 26.63 1xpn n HIS 6 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1xpn n HIS 7 N -2.86 -0.03 -3.45 1.57 8.25 -1.26 -5.16 115.22 112.27 1xpn n HIS 7 Ca -0.09 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.03 1xpn n HIS 7 Cb 0.58 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.63 1xpn n HIS 7 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1xpn s HIS 8 N -1.93 3.55 -0.42 4.41 0.09 -1.26 -5.03 115.29 114.70 1xpn s HIS 8 Ca 0.00 0.91 0.07 0.00 -0.00 0.00 0.00 55.06 56.03 1xpn s HIS 8 Cb 0.00 -2.26 0.23 0.00 -0.00 0.00 0.00 32.58 30.55 1xpn s HIS 8 CO 0.00 0.42 0.55 1.58 -0.00 0.00 0.00 174.74 177.29 1xpn n HIS 9 N 0.56 -1.24 -1.86 1.40 -0.00 -1.26 -4.96 115.22 107.85 1xpn n HIS 9 Ca -0.04 -3.05 -0.42 0.00 -0.00 0.00 0.00 57.72 54.21 1xpn n HIS 9 Cb 0.52 0.24 -0.03 0.00 -0.00 0.00 0.00 29.99 30.72 1xpn n HIS 9 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1xpn s SER 10 N -0.83 6.57 -0.16 0.26 0.01 -1.26 -4.25 113.70 114.04 1xpn s SER 10 Ca 0.34 2.48 -0.03 0.00 1.31 0.00 0.00 55.95 60.04 1xpn s SER 10 Cb 0.14 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.84 1xpn s SER 10 CO -0.15 -0.96 0.06 -1.20 0.41 0.00 0.00 173.24 171.41 1xpn n SER 11 N 6.67 -3.69 -3.79 2.44 7.64 -1.26 -5.02 113.62 116.62 1xpn n SER 11 Ca 0.18 0.84 -0.28 0.00 1.01 0.00 0.00 58.87 60.62 1xpn n SER 11 Cb 0.41 -3.59 -0.12 0.00 -1.01 0.00 0.00 64.21 59.91 1xpn n SER 11 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1xpn s GLY 12 N -0.74 2.49 0.61 0.23 0.00 -1.26 -5.11 107.32 103.54 1xpn s GLY 12 Ca -0.07 -3.46 -0.15 0.00 0.00 0.00 0.00 44.72 41.03 1xpn s GLY 12 CO 0.48 1.32 1.06 1.08 0.00 0.00 0.00 173.10 177.03 1xpn s LEU 13 N -0.99 3.44 0.06 0.66 1.43 -1.26 -4.78 118.68 117.23 1xpn s LEU 13 Ca 0.26 1.78 0.00 0.00 -1.03 0.00 0.00 54.13 55.13 1xpn s LEU 13 Cb -0.05 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.64 1xpn s LEU 13 CO -0.16 -1.19 0.00 0.52 0.23 0.00 0.00 176.35 175.75 1xpn n VAL 14 N -2.20 -5.98 -0.35 -1.59 0.31 -1.26 -4.75 118.33 102.52 1xpn n VAL 14 Ca 0.08 1.16 0.00 0.00 -0.01 0.00 0.00 64.34 65.57 1xpn n VAL 14 Cb 0.53 -3.43 0.00 0.00 -0.91 0.00 0.00 33.84 30.03 1xpn n VAL 14 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1xpn n PRO 15 N 0.65 0.75 -2.06 5.55 -0.02 -1.26 -4.87 135.00 133.73 1xpn n PRO 15 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 1xpn n PRO 15 Cb 0.00 -1.13 -0.03 0.00 -0.02 0.00 0.00 33.50 32.33 1xpn n PRO 15 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1xpn s ARG 16 N 0.50 3.60 0.00 -0.52 3.52 -1.26 -0.69 118.95 124.10 1xpn s ARG 16 Ca 0.00 1.55 0.00 0.00 -0.13 0.00 0.00 55.73 57.15 1xpn s ARG 16 Cb 0.00 -4.11 0.00 0.00 -1.56 0.00 0.00 34.95 29.28 1xpn s ARG 16 CO 0.00 -1.54 0.00 0.41 -0.81 0.00 0.00 175.30 173.36 1xpn n GLY 17 N 5.00 1.08 3.08 8.12 0.00 -1.26 -5.01 105.19 116.20 1xpn n GLY 17 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 6.04 -4.56 1.61 7.64 0.14 -4.97 113.62 119.52 1xpn n SER 18 Ca 0.00 -3.28 -0.40 0.00 1.01 0.00 0.00 58.87 56.19 1xpn n SER 18 Cb 0.00 -1.33 -0.03 0.00 -1.01 0.00 0.00 64.21 61.84 1xpn n SER 18 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1xpn s HIS 19 N -1.94 2.51 0.81 1.43 2.46 -1.26 -4.98 115.29 114.33 1xpn s HIS 19 Ca 0.32 -0.81 -0.13 0.00 0.47 0.00 0.00 55.06 54.91 1xpn s HIS 19 Cb 0.02 -4.67 0.09 0.00 -0.13 0.00 0.00 32.58 27.88 1xpn s HIS 19 CO 0.05 -1.92 1.20 -1.64 -2.47 0.00 0.00 174.74 169.96 1xpn s MET 20 N 5.03 1.59 -1.27 2.88 -1.94 -1.26 -4.84 119.30 119.49 1xpn s MET 20 Ca 0.47 1.74 -0.14 0.00 -1.71 0.00 0.00 55.69 56.06 1xpn s MET 20 Cb -0.00 -1.77 -0.05 0.00 2.01 0.00 0.00 34.83 35.02 1xpn s MET 20 CO -0.09 -2.25 2.32 0.00 -0.01 0.00 0.00 175.02 174.99 1xpn n ALA 21 N -3.37 5.41 -2.35 3.03 0.00 -1.26 -3.93 120.51 118.04 1xpn n ALA 21 Ca 0.13 -3.40 0.02 0.00 0.00 0.00 0.00 53.44 50.19 1xpn n ALA 21 Cb 0.51 -3.45 0.00 0.00 0.00 0.00 0.00 19.45 16.51 1xpn n ALA 21 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1xpn n SER 22 N 5.54 0.52 -4.79 0.00 7.64 -1.26 -5.12 113.62 116.15 1xpn n SER 22 Ca 0.57 -1.98 -0.37 0.00 1.01 0.00 0.00 58.87 58.10 1xpn n SER 22 Cb 0.32 -0.17 -0.06 0.00 -1.01 0.00 0.00 64.21 63.28 1xpn n SER 22 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xpn s ASN 23 N -1.68 7.24 0.04 6.43 6.03 -1.25 -4.99 114.94 126.76 1xpn s ASN 23 Ca 0.24 1.60 -0.30 0.00 -1.03 0.00 0.00 52.86 53.37 1xpn s ASN 23 Cb 0.27 -2.49 -0.09 0.00 -3.03 0.00 0.00 41.25 35.92 1xpn s ASN 23 CO -0.12 0.07 1.90 -2.84 -2.03 0.00 0.00 177.10 174.08 1xpn s PRO 24 N -1.72 4.15 -0.09 3.55 0.02 -1.26 -4.86 135.00 134.78 1xpn s PRO 24 Ca 0.42 2.56 0.14 0.00 0.02 0.00 0.00 61.00 64.14 1xpn s PRO 24 Cb -0.19 -4.03 0.21 0.00 0.02 0.00 0.00 34.50 30.50 1xpn s PRO 24 CO 0.23 -0.92 1.10 0.09 -0.33 0.00 0.00 177.00 177.17 1xpn n ASN 25 N 7.13 2.04 0.00 2.53 5.03 -1.26 -4.75 115.26 125.97 1xpn n ASN 25 Ca 0.19 -2.76 0.00 0.00 0.87 0.00 0.00 54.58 52.88 1xpn n ASN 25 Cb 0.41 -0.32 0.00 0.00 -1.02 0.00 0.00 39.78 38.84 1xpn n ASN 25 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 1xpn n ASP 26 N -1.12 0.00 -4.10 6.41 5.68 -1.26 -4.74 116.55 117.43 1xpn n ASP 26 Ca 0.11 0.06 -0.36 0.00 -0.50 0.00 0.00 54.79 54.10 1xpn n ASP 26 Cb 0.57 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.45 1xpn n ASP 26 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1xpn s LEU 27 N -0.82 5.23 0.00 -2.12 1.43 -1.26 -4.77 118.68 116.36 1xpn s LEU 27 Ca 0.00 -2.72 0.00 0.00 -1.03 0.00 0.00 54.13 50.38 1xpn s LEU 27 Cb 0.00 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.37 1xpn s LEU 27 CO 0.00 -0.40 0.00 -0.81 0.23 0.00 0.00 176.35 175.37 1xpn n PRO 28 N 3.66 0.66 -4.16 1.29 -0.04 -1.26 -5.13 135.00 130.03 1xpn n PRO 28 Ca 0.06 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.42 1xpn n PRO 28 Cb 0.38 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.74 1xpn n PRO 28 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1xpn s ASP 29 N -1.00 0.50 0.00 3.54 2.15 -1.26 -4.95 116.67 115.65 1xpn s ASP 29 Ca 0.00 -1.18 0.00 0.00 0.43 0.00 0.00 52.55 51.80 1xpn s ASP 29 Cb 0.00 0.25 0.00 0.00 -0.30 0.00 0.00 42.92 42.87 1xpn s ASP 29 CO 0.00 -0.68 0.00 0.49 -0.17 0.00 0.00 175.17 174.81 1xpn n PHE 30 N -0.10 0.00 -0.47 -5.34 3.72 -1.26 -4.96 117.46 109.06 1xpn n PHE 30 Ca -0.07 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.25 1xpn n PHE 30 Cb 0.63 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.12 1xpn n PHE 30 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1xpn n PRO 31 N 0.00 1.07 0.08 -1.08 -0.04 -1.26 -4.22 135.00 129.54 1xpn n PRO 31 Ca 0.00 -0.66 -0.04 0.00 -0.04 0.00 0.00 63.50 62.75 1xpn n PRO 31 Cb 0.00 -1.90 -0.08 0.00 -0.04 0.00 0.00 33.50 31.48 1xpn n PRO 31 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1xpn h GLU 32 N 5.32 0.00 0.00 0.54 4.81 -2.00 -3.27 114.58 119.98 1xpn h GLU 32 Ca 0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1xpn h GLU 32 Cb 0.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1xpn h GLU 32 CO 0.67 0.82 0.00 0.72 -0.73 0.00 0.00 179.01 180.49 1xpn n HIS 33 N -3.29 0.00 0.28 0.92 8.25 -1.26 -2.86 115.22 117.26 1xpn n HIS 33 Ca -0.00 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.63 1xpn n HIS 33 Cb 0.88 -0.37 0.75 0.00 1.12 0.00 0.00 29.99 32.37 1xpn n HIS 33 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1xpn h GLU 34 N 0.00 0.00 0.00 -0.41 4.39 -1.92 -2.62 114.58 114.02 1xpn h GLU 34 Ca 0.00 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 1xpn h GLU 34 Cb 0.24 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1xpn h GLU 34 CO 0.00 0.03 -0.40 1.88 -1.16 0.00 0.00 179.01 179.36 1xpn h TYR 35 N 0.00 0.00 -0.55 4.33 -1.99 -1.79 -2.77 116.97 114.19 1xpn h TYR 35 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1xpn h TYR 35 Cb 0.44 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.17 1xpn h TYR 35 CO 0.00 0.40 0.00 0.00 -0.00 0.00 0.00 178.16 178.56 1xpn n ALA 36 N -2.46 2.34 0.44 3.88 0.00 -0.99 -4.42 120.51 119.30 1xpn n ALA 36 Ca -0.02 -1.18 0.13 0.00 0.00 0.00 0.00 53.44 52.37 1xpn n ALA 36 Cb 0.43 -0.77 0.41 0.00 0.00 0.00 0.00 19.45 19.52 1xpn n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xpn h ALA 37 N 3.69 1.00 0.00 0.00 0.00 -1.42 -3.10 119.26 119.43 1xpn h ALA 37 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 1xpn h ALA 37 Cb 0.91 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1xpn h ALA 37 CO 0.00 0.00 -1.73 0.25 0.00 0.00 0.00 179.25 177.77 1xpn n THR 38 N -2.56 1.58 -4.65 0.00 -2.24 -1.26 -5.08 114.28 100.07 1xpn n THR 38 Ca 0.04 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 1xpn n THR 38 Cb 0.39 -1.00 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 1xpn n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xpn n GLN 39 N -3.02 0.00 0.00 -0.78 6.02 -1.17 -4.78 117.38 113.64 1xpn n GLN 39 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 1xpn n GLN 39 Cb 1.05 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.31 1xpn n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xpn n GLN 40 N -0.60 3.20 -2.36 -1.09 10.64 -1.26 -4.80 117.38 121.11 1xpn n GLN 40 Ca 0.00 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 54.74 1xpn n GLN 40 Cb 0.00 -0.94 -0.02 0.00 -0.86 0.00 0.00 30.24 28.41 1xpn n GLN 40 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1xpn s VAL 41 N -1.89 3.98 -0.06 -0.39 1.01 -1.26 -4.41 120.40 117.38 1xpn s VAL 41 Ca 0.00 1.05 -0.26 0.00 0.00 0.00 0.00 61.98 62.76 1xpn s VAL 41 Cb 0.00 -4.16 0.06 0.00 0.00 0.00 0.00 36.38 32.28 1xpn s VAL 41 CO 0.00 -0.63 0.59 -0.83 0.00 0.00 0.00 175.10 174.22 1xpn s GLY 42 N 3.54 -0.47 -0.39 4.51 0.00 -1.26 -4.44 107.32 108.81 1xpn s GLY 42 Ca 0.60 1.14 0.05 0.00 0.00 0.00 0.00 44.72 46.51 1xpn s GLY 42 CO 0.29 0.83 1.48 0.61 0.00 0.00 0.00 173.10 176.31 1xpn n GLY 43 N 1.22 5.86 3.75 0.20 0.00 -1.18 -2.17 105.19 112.87 1xpn n GLY 43 Ca -0.19 -2.17 -0.40 0.00 0.00 0.00 0.00 46.02 43.26 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 -2.86 2.95 -0.15 -0.02 0.00 0.07 -4.40 107.32 102.92 1xpn s GLY 44 Ca 0.53 0.44 0.01 0.00 0.00 0.00 0.00 44.72 45.70 1xpn s GLY 44 CO 0.01 1.11 -0.15 0.14 0.00 0.00 0.00 173.10 174.21 1xpn s VAL 45 N -0.69 1.61 -0.13 1.40 1.01 -0.87 -2.54 120.40 120.19 1xpn s VAL 45 Ca 0.40 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1xpn s VAL 45 Cb -0.23 -1.50 -0.00 0.00 0.00 0.00 0.00 36.38 34.64 1xpn s VAL 45 CO 0.28 0.47 -0.17 -0.63 0.00 0.00 0.00 175.10 175.04 1xpn s ILE 46 N 1.39 2.59 -0.37 2.22 1.01 0.04 -0.30 121.20 127.79 1xpn s ILE 46 Ca 0.03 -0.81 -0.07 0.00 0.00 0.00 0.00 60.65 59.80 1xpn s ILE 46 Cb -0.13 -2.07 0.06 0.00 0.01 0.00 0.00 42.46 40.33 1xpn s ILE 46 CO -0.10 0.53 0.15 0.20 0.00 0.00 0.00 174.94 175.73 1xpn s ASN 47 N 0.57 5.40 -0.19 3.58 0.02 0.69 -0.05 114.94 124.95 1xpn s ASN 47 Ca -0.10 -1.31 -0.02 0.00 -1.02 0.00 0.00 52.86 50.40 1xpn s ASN 47 Cb -0.16 -1.90 -0.00 0.00 0.02 0.00 0.00 41.25 39.21 1xpn s ASN 47 CO 0.04 -0.40 -0.09 -0.83 0.02 0.00 0.00 177.10 175.83 1xpn s GLY 48 N 1.63 1.55 -0.23 0.66 0.00 0.51 0.24 107.32 111.69 1xpn s GLY 48 Ca 0.00 -1.11 -0.08 0.00 0.00 0.00 0.00 44.72 43.53 1xpn s GLY 48 CO 0.02 0.25 0.10 0.99 0.00 0.00 0.00 173.10 174.46 1xpn s ASP 49 N 1.16 5.59 -0.21 1.64 1.11 -0.83 -0.40 116.67 124.73 1xpn s ASP 49 Ca 0.02 -0.02 -0.07 0.00 0.18 0.00 0.00 52.55 52.65 1xpn s ASP 49 Cb -0.14 -1.99 -0.03 0.00 1.07 0.00 0.00 42.92 41.82 1xpn s ASP 49 CO -0.03 0.06 0.06 -0.22 1.18 0.00 0.00 175.17 176.22 1xpn s LEU 50 N 1.08 3.59 -0.30 1.23 2.96 0.56 0.06 118.68 127.86 1xpn s LEU 50 Ca 0.05 -0.07 -0.05 0.00 -0.22 0.00 0.00 54.13 53.85 1xpn s LEU 50 Cb -0.14 -1.93 0.17 0.00 0.50 0.00 0.00 46.19 44.79 1xpn s LEU 50 CO 0.04 0.08 0.65 -0.72 -1.32 0.00 0.00 176.35 175.08 1xpn s TYR 51 N 0.93 -1.45 -0.19 5.38 1.13 -1.03 -4.33 117.35 117.78 1xpn s TYR 51 Ca 0.03 1.81 -0.04 0.00 -1.41 0.00 0.00 57.07 57.46 1xpn s TYR 51 Cb -0.14 0.61 -0.02 0.00 -1.10 0.00 0.00 41.96 41.31 1xpn s TYR 51 CO 0.03 -0.77 -0.02 -0.51 -2.51 0.00 0.00 175.55 171.76 1xpn s LEU 52 N 2.86 3.16 -0.07 -3.49 1.43 0.31 -4.56 118.68 118.32 1xpn s LEU 52 Ca 0.12 -0.22 -0.18 0.00 -1.03 0.00 0.00 54.13 52.81 1xpn s LEU 52 Cb -0.14 -1.79 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 1xpn s LEU 52 CO -0.20 0.08 0.50 -0.89 0.23 0.00 0.00 176.35 176.07 1xpn s THR 53 N 0.88 5.09 0.76 5.49 2.01 -1.26 -0.18 115.64 128.43 1xpn s THR 53 Ca -0.00 1.01 -0.11 0.00 0.31 0.00 0.00 61.69 62.90 1xpn s THR 53 Cb -0.14 -3.83 0.05 0.00 0.01 0.00 0.00 72.50 68.58 1xpn s THR 53 CO 0.02 0.39 1.08 -0.94 -0.69 0.00 0.00 174.62 174.47 1xpn s SER 54 N 0.16 4.78 0.02 3.53 1.04 0.17 -4.88 113.70 118.52 1xpn s SER 54 Ca 0.27 1.55 0.13 0.00 0.48 0.00 0.00 55.95 58.38 1xpn s SER 54 Cb -0.16 -2.34 0.54 0.00 0.10 0.00 0.00 66.02 64.16 1xpn s SER 54 CO 0.12 -1.82 1.40 0.00 0.98 0.00 0.00 173.24 173.93 1xpn n ALA 55 N -3.36 1.55 0.59 5.32 0.00 -1.26 -0.43 120.51 122.91 1xpn n ALA 55 Ca 0.08 -0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.61 1xpn n ALA 55 Cb 0.54 -1.20 0.39 0.00 0.00 0.00 0.00 19.45 19.18 1xpn n ALA 55 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1xpn h SER 56 N 0.00 0.00 -0.12 0.00 0.87 -2.00 -3.47 113.55 108.83 1xpn h SER 56 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1xpn h SER 56 Cb 0.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1xpn h SER 56 CO 0.00 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 1xpn n GLY 57 N 1.23 1.23 3.15 5.77 0.00 0.43 -5.08 105.19 111.91 1xpn n GLY 57 Ca 0.05 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.12 2.32 -0.22 4.61 0.00 -1.25 -4.89 121.76 120.20 1xpn s ALA 58 Ca 0.00 -1.17 -0.21 0.00 0.00 0.00 0.00 51.96 50.59 1xpn s ALA 58 Cb 0.00 -1.13 -0.02 0.00 0.00 0.00 0.00 23.12 21.97 1xpn s ALA 58 CO 0.00 -0.23 0.63 0.42 0.00 0.00 0.00 175.76 176.59 1xpn s ILE 59 N 1.11 5.00 -0.20 0.00 1.01 -1.26 -0.66 121.20 126.20 1xpn s ILE 59 Ca 0.00 1.17 -0.06 0.00 0.00 0.00 0.00 60.65 61.76 1xpn s ILE 59 Cb -0.14 -3.94 -0.03 0.00 0.01 0.00 0.00 42.46 38.36 1xpn s ILE 59 CO -0.08 0.07 0.03 -1.10 0.00 0.00 0.00 174.94 173.85 1xpn s GLN 60 N 2.20 3.74 0.43 2.79 -1.52 0.75 -4.91 119.66 123.14 1xpn s GLN 60 Ca 0.28 -0.46 0.24 0.00 -1.95 0.00 0.00 55.36 53.46 1xpn s GLN 60 Cb -0.16 -3.15 0.62 0.00 -0.22 0.00 0.00 33.01 30.11 1xpn s GLN 60 CO 0.09 0.08 1.70 0.87 -0.25 0.00 0.00 175.29 177.78 1xpn h LYS 61 N 7.30 0.00 -2.64 2.91 1.79 -1.87 0.90 116.57 124.96 1xpn h LYS 61 Ca -0.36 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.11 1xpn h LYS 61 Cb 1.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1xpn h LYS 61 CO 0.63 0.15 0.00 0.41 -1.08 0.00 0.00 179.45 179.56 1xpn n GLY 62 N 0.70 -1.43 3.84 3.86 0.00 -1.26 -4.36 105.19 106.53 1xpn n GLY 62 Ca 0.02 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.48 5.45 -1.30 2.61 2.01 -1.26 -4.15 115.64 118.52 1xpn s THR 63 Ca 0.00 0.25 -0.00 0.00 0.31 0.00 0.00 61.69 62.25 1xpn s THR 63 Cb 0.00 -3.44 0.00 0.00 0.01 0.00 0.00 72.50 69.07 1xpn s THR 63 CO 0.00 0.57 0.74 -3.20 -0.69 0.00 0.00 174.62 172.04 1xpn n ASN 64 N 2.40 -1.34 -4.18 3.53 5.15 -1.26 -4.99 115.26 114.57 1xpn n ASN 64 Ca -0.18 -0.79 -0.32 0.00 -0.60 0.00 0.00 54.58 52.68 1xpn n ASN 64 Cb 0.54 -4.18 -0.17 0.00 -0.53 0.00 0.00 39.78 35.44 1xpn n ASN 64 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1xpn s THR 65 N -3.63 2.07 -0.28 -0.44 2.01 -1.26 -4.99 115.64 109.12 1xpn s THR 65 Ca 0.02 -0.98 -0.16 0.00 0.31 0.00 0.00 61.69 60.87 1xpn s THR 65 Cb -0.01 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 1xpn s THR 65 CO 0.80 0.55 0.44 -0.75 -0.69 0.00 0.00 174.62 174.97 1xpn s LYS 66 N 0.76 3.96 -0.00 4.92 2.20 -1.26 -1.90 119.74 128.41 1xpn s LYS 66 Ca -0.08 0.09 -0.16 0.00 -0.36 0.00 0.00 55.97 55.45 1xpn s LYS 66 Cb -0.16 -3.68 -0.06 0.00 -1.51 0.00 0.00 37.83 32.42 1xpn s LYS 66 CO -0.01 -0.37 0.45 0.08 -0.36 0.00 0.00 175.35 175.15 1xpn s VAL 67 N 2.20 4.99 -0.28 4.02 1.01 0.13 -4.40 120.40 128.07 1xpn s VAL 67 Ca 0.17 0.93 -0.02 0.00 0.00 0.00 0.00 61.98 63.07 1xpn s VAL 67 Cb -0.16 -3.76 0.04 0.00 0.00 0.00 0.00 36.38 32.50 1xpn s VAL 67 CO 0.10 0.54 -0.02 0.00 0.00 0.00 0.00 175.10 175.72 1xpn s ALA 68 N -0.83 2.78 -0.42 5.51 0.00 0.94 -1.06 121.76 128.69 1xpn s ALA 68 Ca 0.25 -1.63 -0.18 0.00 0.00 0.00 0.00 51.96 50.40 1xpn s ALA 68 Cb -0.17 -1.85 0.02 0.00 0.00 0.00 0.00 23.12 21.12 1xpn s ALA 68 CO 0.14 -1.08 0.46 -1.17 0.00 0.00 0.00 175.76 174.11 1xpn s LEU 69 N 1.29 4.78 0.02 0.00 2.96 0.83 -0.13 118.68 128.43 1xpn s LEU 69 Ca -0.03 -0.58 0.07 0.00 -0.22 0.00 0.00 54.13 53.37 1xpn s LEU 69 Cb -0.18 -2.44 -0.03 0.00 0.50 0.00 0.00 46.19 44.04 1xpn s LEU 69 CO -0.02 -0.59 -0.21 -1.61 -1.32 0.00 0.00 176.35 172.59 1xpn s GLU 70 N 2.23 2.07 0.54 1.98 2.02 0.39 -0.53 118.70 127.40 1xpn s GLU 70 Ca 0.14 -0.97 -0.21 0.00 0.02 0.00 0.00 54.97 53.95 1xpn s GLU 70 Cb -0.17 -2.14 -0.05 0.00 0.10 0.00 0.00 34.13 31.88 1xpn s GLU 70 CO 0.14 0.55 1.26 -2.14 0.02 0.00 0.00 175.26 175.09 1xpn s PRO 71 N -1.15 3.22 -1.19 0.39 0.02 -1.26 0.27 135.00 135.31 1xpn s PRO 71 Ca 0.13 1.98 -0.16 0.00 0.02 0.00 0.00 61.00 62.97 1xpn s PRO 71 Cb -0.10 -2.18 -0.05 0.00 0.02 0.00 0.00 34.50 32.19 1xpn s PRO 71 CO 0.03 -1.05 2.15 0.00 -0.33 0.00 0.00 177.00 177.80 1xpn n ALA 72 N -1.10 4.78 -2.06 -1.55 0.00 -0.65 -4.62 120.51 115.31 1xpn n ALA 72 Ca 0.11 -3.57 -0.42 0.00 0.00 0.00 0.00 53.44 49.56 1xpn n ALA 72 Cb 0.47 -3.55 -0.03 0.00 0.00 0.00 0.00 19.45 16.35 1xpn n ALA 72 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1xpn s THR 73 N 3.83 3.25 0.39 0.00 2.01 -1.26 -4.87 115.64 118.99 1xpn s THR 73 Ca 0.52 0.99 0.15 0.00 0.31 0.00 0.00 61.69 63.65 1xpn s THR 73 Cb 0.14 -3.63 0.36 0.00 0.01 0.00 0.00 72.50 69.38 1xpn s THR 73 CO -0.01 0.13 1.84 -1.28 -0.69 0.00 0.00 174.62 174.61 1xpn h SER 74 N 5.77 0.49 -0.09 3.53 0.87 -1.89 0.39 113.55 122.62 1xpn h SER 74 Ca -0.44 0.05 -0.11 0.00 -1.23 0.00 0.00 61.79 60.06 1xpn h SER 74 Cb 1.21 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1xpn h SER 74 CO 0.80 0.20 -0.38 0.22 -0.53 0.00 0.00 176.83 177.13 1xpn h TYR 75 N 0.50 0.57 0.00 2.24 3.20 -1.91 -3.27 116.97 118.30 1xpn h TYR 75 Ca 0.48 -0.24 0.00 0.00 3.14 0.00 0.00 58.73 62.11 1xpn h TYR 75 Cb 1.08 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.26 1xpn h TYR 75 CO -0.00 0.99 0.00 0.52 -1.64 0.00 0.00 178.16 178.03 1xpn h MET 76 N -0.02 0.00 -0.92 1.82 2.86 -1.55 -3.20 114.93 113.93 1xpn h MET 76 Ca -0.02 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1xpn h MET 76 Cb 1.02 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.63 1xpn h MET 76 CO 0.08 0.00 0.60 -0.22 1.06 0.00 0.00 176.91 178.43 1xpn h LYS 77 N 0.00 1.16 -0.00 1.72 3.64 -0.34 -1.32 116.57 121.42 1xpn h LYS 77 Ca 0.00 -0.07 -0.17 0.00 -1.27 0.00 0.00 60.65 59.14 1xpn h LYS 77 Cb 0.79 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1xpn h LYS 77 CO 0.00 0.77 -0.80 0.00 -2.27 0.00 0.00 179.45 177.15 1xpn h ALA 78 N 1.36 0.65 -0.76 5.00 0.00 -1.70 -3.12 119.26 120.69 1xpn h ALA 78 Ca 0.35 -0.70 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 1xpn h ALA 78 Cb -0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1xpn h ALA 78 CO -0.10 0.93 0.27 -0.92 0.00 0.00 0.00 179.25 179.43 1xpn h TYR 79 N 0.05 1.19 -0.07 0.00 3.20 -1.41 -2.31 116.97 117.62 1xpn h TYR 79 Ca -0.02 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.74 1xpn h TYR 79 Cb 1.40 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 39.32 1xpn h TYR 79 CO 0.01 0.92 0.00 0.66 -1.64 0.00 0.00 178.16 178.12 1xpn n TYR 80 N -4.28 0.09 0.08 -3.82 4.01 -0.58 -0.57 117.16 112.09 1xpn n TYR 80 Ca 0.06 -0.04 -0.05 0.00 -0.16 0.00 0.00 57.90 57.71 1xpn n TYR 80 Cb 0.21 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.19 1xpn n TYR 80 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1xpn h ALA 81 N 3.90 0.49 0.00 -0.72 0.00 -1.36 -2.36 119.26 119.21 1xpn h ALA 81 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1xpn h ALA 81 Cb 0.26 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1xpn h ALA 81 CO 0.00 1.12 -0.16 0.87 0.00 0.00 0.00 179.25 181.07 1xpn h LYS 82 N 0.00 0.00 -0.59 0.00 1.79 -1.22 -3.41 116.57 113.14 1xpn h LYS 82 Ca -0.01 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.35 1xpn h LYS 82 Cb 1.61 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 32.20 1xpn h LYS 82 CO 0.12 0.00 0.12 1.19 -1.08 0.00 0.00 179.45 179.80 1xpn n PHE 83 N -3.77 2.01 0.01 -1.35 3.01 0.26 -4.66 117.46 112.97 1xpn n PHE 83 Ca -0.02 -1.02 -0.00 0.00 1.01 0.00 0.00 57.45 57.41 1xpn n PHE 83 Cb 0.08 -0.56 -0.00 0.00 -0.01 0.00 0.00 39.48 38.99 1xpn n PHE 83 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1xpn h GLY 84 N 2.86 -0.03 -7.52 1.37 0.00 -1.59 -3.42 103.07 94.73 1xpn h GLY 84 Ca 0.13 0.01 -0.71 0.00 0.00 0.00 0.00 47.33 46.77 1xpn h GLY 84 CO 0.56 -0.01 -0.38 -1.31 0.00 0.00 0.00 176.54 175.40 1xpn s ASN 85 N -3.05 5.40 -0.14 0.19 -0.87 -1.26 -1.86 114.94 113.35 1xpn s ASN 85 Ca -0.00 -2.54 -0.03 0.00 -1.57 0.00 0.00 52.86 48.71 1xpn s ASN 85 Cb 0.00 -1.89 0.05 0.00 -0.02 0.00 0.00 41.25 39.39 1xpn s ASN 85 CO 0.01 -0.46 0.04 -0.22 -2.57 0.00 0.00 177.10 173.91 1xpn s LEU 86 N 0.40 0.70 0.66 0.60 0.20 0.03 -5.02 118.68 116.26 1xpn s LEU 86 Ca 0.14 -0.50 -0.17 0.00 0.69 0.00 0.00 54.13 54.29 1xpn s LEU 86 Cb -0.21 -0.42 0.00 0.00 -0.43 0.00 0.00 46.19 45.14 1xpn s LEU 86 CO -0.04 -0.29 1.23 -1.81 -0.29 0.00 0.00 176.35 175.16 1xpn s ASP 87 N 1.99 4.63 0.60 3.68 1.11 -1.26 -1.18 116.67 126.24 1xpn s ASP 87 Ca 0.02 2.43 0.32 0.00 0.18 0.00 0.00 52.55 55.49 1xpn s ASP 87 Cb -0.15 -2.60 1.89 0.00 1.07 0.00 0.00 42.92 43.13 1xpn s ASP 87 CO -0.07 -1.97 2.27 0.00 1.18 0.00 0.00 175.17 176.57 1xpn h ALA 88 N 0.30 1.45 0.00 5.23 0.00 -1.04 0.24 119.26 125.44 1xpn h ALA 88 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1xpn h ALA 88 Cb 1.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1xpn h ALA 88 CO 0.52 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.78 1xpn h ALA 89 N 2.00 1.00 -0.01 0.00 0.00 -1.80 -2.75 119.26 117.70 1xpn h ALA 89 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xpn h ALA 89 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1xpn h ALA 89 CO 0.00 0.00 -0.15 1.63 0.00 0.00 0.00 179.25 180.74 1xpn n LYS 90 N -2.54 1.06 -1.66 0.00 5.02 0.85 -4.84 118.16 116.06 1xpn n LYS 90 Ca 0.03 -0.57 -0.39 0.00 -2.02 0.00 0.00 58.31 55.37 1xpn n LYS 90 Cb 0.35 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.84 1xpn n LYS 90 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1xpn s ARG 91 N -2.33 2.49 -0.16 1.97 1.81 -1.04 -4.94 118.95 116.75 1xpn s ARG 91 Ca 0.30 1.46 -0.07 0.00 -1.72 0.00 0.00 55.73 55.70 1xpn s ARG 91 Cb 0.20 -4.48 -0.04 0.00 -0.45 0.00 0.00 34.95 30.18 1xpn s ARG 91 CO 0.45 -2.84 0.06 0.34 -0.68 0.00 0.00 175.30 172.64 1xpn s ASP 92 N 10.34 5.68 0.14 0.23 2.15 -1.26 -4.99 116.67 128.95 1xpn s ASP 92 Ca 0.93 0.15 0.14 0.00 0.43 0.00 0.00 52.55 54.20 1xpn s ASP 92 Cb -0.21 -1.91 0.65 0.00 -0.30 0.00 0.00 42.92 41.15 1xpn s ASP 92 CO 0.28 0.24 1.43 -0.81 -0.17 0.00 0.00 175.17 176.13 1xpn n PRO 93 N 3.12 0.08 0.06 4.34 -0.04 -1.26 -0.93 135.00 140.37 1xpn n PRO 93 Ca -0.17 0.46 0.11 0.00 -0.04 0.00 0.00 63.50 63.86 1xpn n PRO 93 Cb 0.53 -1.69 0.03 0.00 -0.04 0.00 0.00 33.50 32.32 1xpn n PRO 93 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1xpn n ASP 94 N -1.85 0.68 -4.38 3.54 2.03 -1.26 -4.67 116.55 110.64 1xpn n ASP 94 Ca 0.01 0.10 -0.45 0.00 0.52 0.00 0.00 54.79 54.97 1xpn n ASP 94 Cb 0.10 0.61 -0.03 0.00 -0.72 0.00 0.00 41.12 41.08 1xpn n ASP 94 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1xpn s VAL 95 N -3.28 5.07 -0.13 5.18 1.01 -0.10 -5.02 120.40 123.11 1xpn s VAL 95 Ca 0.02 -1.71 -0.05 0.00 0.00 0.00 0.00 61.98 60.24 1xpn s VAL 95 Cb 0.12 -4.58 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 1xpn s VAL 95 CO 0.79 -1.22 0.04 -1.10 0.00 0.00 0.00 175.10 173.61 1xpn s GLN 96 N 1.80 3.48 -0.10 2.72 -0.21 -1.26 -4.73 119.66 121.36 1xpn s GLN 96 Ca 0.21 -0.35 -0.30 0.00 0.02 0.00 0.00 55.36 54.94 1xpn s GLN 96 Cb -0.13 -3.02 -0.03 0.00 1.00 0.00 0.00 33.01 30.83 1xpn s GLN 96 CO -0.04 0.52 1.38 -2.14 -2.12 0.00 0.00 175.29 172.88 1xpn s PRO 97 N -0.34 4.24 0.82 2.91 0.02 -1.26 -5.03 135.00 136.36 1xpn s PRO 97 Ca 0.08 1.85 -0.11 0.00 0.02 0.00 0.00 61.00 62.83 1xpn s PRO 97 Cb -0.12 -3.77 0.08 0.00 0.02 0.00 0.00 34.50 30.71 1xpn s PRO 97 CO 0.02 -0.70 1.09 -2.14 -0.33 0.00 0.00 177.00 174.94 1xpn s PRO 98 N 3.34 1.91 -0.31 5.54 0.02 -1.26 -4.99 135.00 139.26 1xpn s PRO 98 Ca 0.61 0.80 -0.29 0.00 0.02 0.00 0.00 61.00 62.14 1xpn s PRO 98 Cb -0.26 -1.89 0.02 0.00 0.02 0.00 0.00 34.50 32.38 1xpn s PRO 98 CO 0.21 -1.78 1.06 0.08 -0.33 0.00 0.00 177.00 176.24 1xpn s VAL 99 N -3.04 4.55 0.43 3.83 1.01 -1.26 -5.03 120.40 120.89 1xpn s VAL 99 Ca 0.61 1.76 0.08 0.00 0.00 0.00 0.00 61.98 64.43 1xpn s VAL 99 Cb -0.16 -4.39 0.01 0.00 0.00 0.00 0.00 36.38 31.84 1xpn s VAL 99 CO 0.55 -0.42 0.56 -0.76 0.00 0.00 0.00 175.10 175.03 1xpn s LEU 100 N 3.55 3.60 0.25 3.92 1.43 -1.26 -5.07 118.68 125.11 1xpn s LEU 100 Ca 0.45 -0.47 -0.30 0.00 -1.03 0.00 0.00 54.13 52.77 1xpn s LEU 100 Cb -0.13 -2.55 -0.09 0.00 0.03 0.00 0.00 46.19 43.45 1xpn s LEU 100 CO 0.14 -0.78 1.30 -0.62 0.23 0.00 0.00 176.35 176.62 1xpn s ASP 101 N -4.34 6.87 0.00 2.29 -1.08 -1.26 -4.89 116.67 114.26 1xpn s ASP 101 Ca 0.55 2.49 0.02 0.00 -0.52 0.00 0.00 52.55 55.09 1xpn s ASP 101 Cb -0.09 -2.62 0.10 0.00 -1.46 0.00 0.00 42.92 38.84 1xpn s ASP 101 CO 0.33 -0.51 0.83 -2.65 0.52 0.00 0.00 175.17 173.69 1xpn n PRO 102 N 1.96 0.03 0.05 4.34 -0.02 -1.26 -2.28 135.00 137.82 1xpn n PRO 102 Ca 0.04 0.24 0.18 0.00 -2.02 0.00 0.00 63.50 61.94 1xpn n PRO 102 Cb 0.42 -1.50 0.70 0.00 -0.02 0.00 0.00 33.50 33.10 1xpn n PRO 102 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xpn h ARG 103 N 0.00 0.00 -0.87 -0.52 2.47 -2.02 0.17 114.38 113.62 1xpn h ARG 103 Ca 0.00 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.79 1xpn h ARG 103 Cb 0.02 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.28 1xpn h ARG 103 CO 0.00 0.00 0.57 0.00 0.56 0.00 0.00 179.97 181.10 1xpn h ARG 104 N 0.00 0.92 0.00 0.04 3.08 -1.84 -1.10 114.38 115.47 1xpn h ARG 104 Ca 0.20 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1xpn h ARG 104 Cb 0.85 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1xpn h ARG 104 CO -0.00 0.61 0.00 0.00 -1.07 0.00 0.00 179.97 179.51 1xpn n ALA 105 N -2.41 1.52 -0.03 0.04 0.00 0.05 -1.15 120.51 118.53 1xpn n ALA 105 Ca 0.13 -0.04 -0.05 0.00 0.00 0.00 0.00 53.44 53.49 1xpn n ALA 105 Cb 0.23 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.49 1xpn n ALA 105 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1xpn n THR 106 N -1.43 0.29 0.23 0.00 -1.04 -0.85 -4.74 114.28 106.73 1xpn n THR 106 Ca 0.03 -0.09 0.13 0.00 -2.04 0.00 0.00 64.05 62.08 1xpn n THR 106 Cb 0.11 -1.10 0.30 0.00 -1.82 0.00 0.00 70.33 67.82 1xpn n THR 106 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 1xpn h TYR 107 N -0.09 0.00 -3.08 -1.42 0.05 -1.13 -3.41 116.97 107.89 1xpn h TYR 107 Ca -0.12 0.00 -0.55 0.00 0.05 0.00 0.00 58.73 58.11 1xpn h TYR 107 Cb 1.15 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.82 1xpn h TYR 107 CO -0.01 0.05 1.03 0.08 -1.05 0.00 0.00 178.16 178.26 1xpn s VAL 108 N -3.33 3.93 -0.11 -2.88 1.01 -0.30 -4.54 120.40 114.18 1xpn s VAL 108 Ca 0.05 0.83 -0.30 0.00 0.00 0.00 0.00 61.98 62.57 1xpn s VAL 108 Cb 0.06 -4.58 -0.02 0.00 0.00 0.00 0.00 36.38 31.85 1xpn s VAL 108 CO 0.64 -1.22 1.12 -0.13 0.00 0.00 0.00 175.10 175.51 1xpn s ARG 109 N 5.14 4.34 -0.18 2.72 0.52 0.31 -4.81 118.95 127.00 1xpn s ARG 109 Ca 0.48 1.53 -0.08 0.00 -0.52 0.00 0.00 55.73 57.14 1xpn s ARG 109 Cb -0.09 -3.59 -0.04 0.00 0.52 0.00 0.00 34.95 31.74 1xpn s ARG 109 CO 0.26 -0.47 0.09 -1.21 0.02 0.00 0.00 175.30 173.99 1xpn s GLU 110 N 2.47 3.93 0.05 3.54 2.02 -1.26 -0.12 118.70 129.34 1xpn s GLU 110 Ca 0.51 -0.29 0.00 0.00 0.02 0.00 0.00 54.97 55.21 1xpn s GLU 110 Cb -0.21 -3.25 -0.03 0.00 0.10 0.00 0.00 34.13 30.74 1xpn s GLU 110 CO 0.17 0.35 -0.04 0.00 0.02 0.00 0.00 175.26 175.76 1xpn s ALA 111 N 0.16 0.48 -0.14 5.21 0.00 -0.22 -4.98 121.76 122.28 1xpn s ALA 111 Ca 0.06 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.03 1xpn s ALA 111 Cb -0.12 0.19 -0.00 0.00 0.00 0.00 0.00 23.12 23.19 1xpn s ALA 111 CO -0.00 -0.25 -0.18 0.99 0.00 0.00 0.00 175.76 176.33 1xpn s THR 112 N -2.88 2.52 0.34 0.00 2.01 -1.26 0.20 115.64 116.57 1xpn s THR 112 Ca -0.01 -0.83 -0.28 0.00 0.31 0.00 0.00 61.69 60.88 1xpn s THR 112 Cb 0.00 -2.03 -0.10 0.00 0.01 0.00 0.00 72.50 70.38 1xpn s THR 112 CO -0.05 0.53 1.24 0.42 -0.69 0.00 0.00 174.62 176.07 1xpn s THR 113 N 0.63 2.94 0.47 -0.82 -4.23 -0.80 -4.89 115.64 108.95 1xpn s THR 113 Ca -0.09 0.90 -0.07 0.00 -1.18 0.00 0.00 61.69 61.25 1xpn s THR 113 Cb -0.16 -3.56 0.11 0.00 1.34 0.00 0.00 72.50 70.23 1xpn s THR 113 CO 0.03 0.18 0.64 0.47 -0.54 0.00 0.00 174.62 175.40 1xpn n ASP 114 N 0.65 0.18 0.28 3.99 8.00 -0.87 -4.14 116.55 124.64 1xpn n ASP 114 Ca 0.01 -1.31 0.12 0.00 0.71 0.00 0.00 54.79 54.32 1xpn n ASP 114 Cb 0.43 -0.48 0.79 0.00 -0.02 0.00 0.00 41.12 41.85 1xpn n ASP 114 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1xpn h GLN 115 N 0.00 0.00 0.00 -1.24 1.08 -1.93 0.93 115.11 113.95 1xpn h GLN 115 Ca -0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 1xpn h GLN 115 Cb 0.60 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 1xpn h GLN 115 CO 0.16 0.02 0.00 -1.71 -0.95 0.00 0.00 178.83 176.35 1xpn n ASN 116 N -4.07 0.24 -1.59 1.46 5.15 -1.26 -4.89 115.26 110.31 1xpn n ASN 116 Ca -0.03 0.54 -0.08 0.00 -0.60 0.00 0.00 54.58 54.41 1xpn n ASN 116 Cb 0.11 -0.60 0.03 0.00 -0.53 0.00 0.00 39.78 38.79 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 0.43 3.07 8.20 0.00 0.32 -4.88 105.19 113.17 1xpn n GLY 117 Ca 0.05 -0.35 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 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 -5.42 0.55 0.20 1.61 3.52 -1.26 -0.32 118.95 117.83 1xpn s ARG 118 Ca 0.20 -0.90 -0.09 0.00 -0.13 0.00 0.00 55.73 54.81 1xpn s ARG 118 Cb -0.09 -0.12 -0.01 0.00 -1.56 0.00 0.00 34.95 33.17 1xpn s ARG 118 CO 0.25 -0.01 0.32 -0.59 -0.81 0.00 0.00 175.30 174.47 1xpn s PHE 119 N -2.18 0.50 -0.08 5.12 -0.71 0.46 -2.05 117.98 119.04 1xpn s PHE 119 Ca -0.05 -0.84 -0.11 0.00 -1.04 0.00 0.00 56.93 54.89 1xpn s PHE 119 Cb -0.05 -0.06 0.03 0.00 -1.21 0.00 0.00 43.02 41.73 1xpn s PHE 119 CO -0.02 -0.79 0.29 0.16 -1.34 0.00 0.00 175.22 173.51 1xpn s ASP 120 N -3.01 -0.26 0.20 1.98 -4.77 -1.26 -0.36 116.67 109.19 1xpn s ASP 120 Ca 0.22 0.41 0.11 0.00 -3.30 0.00 0.00 52.55 49.99 1xpn s ASP 120 Cb 0.03 0.51 -0.04 0.00 -1.09 0.00 0.00 42.92 42.32 1xpn s ASP 120 CO 0.05 -0.22 -0.24 -0.36 0.70 0.00 0.00 175.17 175.10 1xpn s PHE 121 N -0.36 2.29 0.11 2.11 0.08 0.93 -4.95 117.98 118.19 1xpn s PHE 121 Ca -0.05 -0.36 -0.16 0.00 0.12 0.00 0.00 56.93 56.49 1xpn s PHE 121 Cb -0.03 -1.12 0.03 0.00 -0.57 0.00 0.00 43.02 41.32 1xpn s PHE 121 CO 0.02 0.52 0.38 0.34 -0.10 0.00 0.00 175.22 176.37 1xpn s ASP 122 N -2.74 -0.21 -0.86 1.36 2.15 -1.26 -0.78 116.67 114.33 1xpn s ASP 122 Ca 0.21 -0.31 -0.04 0.00 0.43 0.00 0.00 52.55 52.84 1xpn s ASP 122 Cb -0.08 0.46 -0.05 0.00 -0.30 0.00 0.00 42.92 42.95 1xpn s ASP 122 CO 0.10 -0.82 0.75 1.57 -0.17 0.00 0.00 175.17 176.60 1xpn n HIS 123 N -0.13 -1.94 -4.53 -5.34 -0.00 -1.05 -4.96 115.22 97.28 1xpn n HIS 123 Ca -0.16 0.70 -0.24 0.00 0.46 0.00 0.00 57.72 58.47 1xpn n HIS 123 Cb 0.63 -3.93 -0.17 0.00 -0.12 0.00 0.00 29.99 26.41 1xpn n HIS 123 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1xpn s ILE 124 N -3.31 1.10 0.42 3.57 1.01 -0.92 -4.58 121.20 118.49 1xpn s ILE 124 Ca 0.30 -0.45 -0.26 0.00 0.00 0.00 0.00 60.65 60.24 1xpn s ILE 124 Cb -0.04 -1.01 -0.09 0.00 0.01 0.00 0.00 42.46 41.32 1xpn s ILE 124 CO 0.59 0.35 1.45 -2.16 0.00 0.00 0.00 174.94 175.17 1xpn s PRO 125 N 0.73 3.85 0.09 2.79 0.04 -1.26 -0.76 135.00 140.48 1xpn s PRO 125 Ca -0.13 2.48 -0.30 0.00 0.04 0.00 0.00 61.00 63.08 1xpn s PRO 125 Cb -0.16 -2.78 -0.05 0.00 0.04 0.00 0.00 34.50 31.55 1xpn s PRO 125 CO 0.03 -0.70 0.95 0.54 0.04 0.00 0.00 177.00 177.86 1xpn s ASN 126 N -0.37 7.46 0.00 6.66 6.03 -1.26 -4.89 114.94 128.57 1xpn s ASN 126 Ca 0.58 1.75 0.00 0.00 -1.03 0.00 0.00 52.86 54.15 1xpn s ASN 126 Cb -0.45 -2.58 0.00 0.00 -3.03 0.00 0.00 41.25 35.19 1xpn s ASN 126 CO 0.59 -0.10 0.00 0.61 -2.03 0.00 0.00 177.10 176.17 1xpn n GLY 127 N 2.38 -1.68 3.73 0.45 0.00 0.46 -4.97 105.19 105.55 1xpn n GLY 127 Ca 0.03 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.56 4.75 0.23 2.61 2.01 -1.26 0.23 115.64 121.65 1xpn s THR 128 Ca 0.00 1.79 0.01 0.00 0.31 0.00 0.00 61.69 63.80 1xpn s THR 128 Cb 0.00 -4.19 -0.05 0.00 0.01 0.00 0.00 72.50 68.27 1xpn s THR 128 CO 0.00 0.29 0.08 -0.31 -0.69 0.00 0.00 174.62 173.99 1xpn s TYR 129 N 0.31 1.42 -0.09 4.92 1.51 0.87 -1.64 117.35 124.64 1xpn s TYR 129 Ca 0.43 -1.17 0.05 0.00 -1.01 0.00 0.00 57.07 55.36 1xpn s TYR 129 Cb -0.21 -0.81 -0.00 0.00 -0.11 0.00 0.00 41.96 40.83 1xpn s TYR 129 CO 0.25 -0.35 -0.24 0.71 -1.11 0.00 0.00 175.55 174.81 1xpn s TYR 130 N -3.79 2.52 -0.47 2.71 2.02 0.14 -0.91 117.35 119.57 1xpn s TYR 130 Ca 0.35 -0.94 -0.15 0.00 -0.37 0.00 0.00 57.07 55.96 1xpn s TYR 130 Cb 0.07 -1.67 0.08 0.00 -0.40 0.00 0.00 41.96 40.04 1xpn s TYR 130 CO 0.11 -0.35 0.38 0.42 -1.57 0.00 0.00 175.55 174.54 1xpn s ILE 131 N 0.18 5.07 -0.19 2.71 1.01 0.72 -0.46 121.20 130.24 1xpn s ILE 131 Ca -0.14 -1.14 -0.11 0.00 0.00 0.00 0.00 60.65 59.25 1xpn s ILE 131 Cb -0.17 -4.05 -0.05 0.00 0.01 0.00 0.00 42.46 38.20 1xpn s ILE 131 CO 0.07 -0.58 0.19 -0.44 0.00 0.00 0.00 174.94 174.18 1xpn s SER 132 N 2.58 6.27 -0.07 3.58 0.01 0.82 -0.17 113.70 126.72 1xpn s SER 132 Ca 0.04 0.30 -0.03 0.00 1.31 0.00 0.00 55.95 57.57 1xpn s SER 132 Cb -0.24 -2.12 0.04 0.00 0.21 0.00 0.00 66.02 63.90 1xpn s SER 132 CO 0.06 0.13 0.15 -0.44 0.41 0.00 0.00 173.24 173.55 1xpn s SER 133 N 0.51 0.06 -0.86 2.44 0.01 0.21 -0.04 113.70 116.03 1xpn s SER 133 Ca 0.11 0.31 -0.18 0.00 1.31 0.00 0.00 55.95 57.50 1xpn s SER 133 Cb -0.12 0.21 0.15 0.00 0.21 0.00 0.00 66.02 66.47 1xpn s SER 133 CO 0.01 -0.17 1.00 -1.61 0.41 0.00 0.00 173.24 172.88 1xpn s GLU 134 N 1.41 3.53 -0.32 12.44 2.02 -1.25 -0.52 118.70 136.00 1xpn s GLU 134 Ca -0.07 -1.84 0.03 0.00 0.02 0.00 0.00 54.97 53.12 1xpn s GLU 134 Cb -0.12 -4.72 0.09 0.00 0.10 0.00 0.00 34.13 29.48 1xpn s GLU 134 CO -0.06 -1.65 0.01 -1.17 0.02 0.00 0.00 175.26 172.42 1xpn s LEU 135 N 2.19 4.42 0.02 1.80 2.96 0.53 -4.83 118.68 125.77 1xpn s LEU 135 Ca 0.27 -1.94 0.04 0.00 -0.22 0.00 0.00 54.13 52.28 1xpn s LEU 135 Cb -0.08 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 1xpn s LEU 135 CO -0.07 -0.33 -0.12 0.28 -1.32 0.00 0.00 176.35 174.78 1xpn s THR 136 N 0.97 0.98 0.15 3.68 -1.32 -1.26 -0.74 115.64 118.10 1xpn s THR 136 Ca 0.05 -0.81 -0.08 0.00 -1.21 0.00 0.00 61.69 59.64 1xpn s THR 136 Cb -0.19 -0.88 -0.01 0.00 -1.51 0.00 0.00 72.50 69.91 1xpn s THR 136 CO -0.07 0.07 0.24 -1.66 -2.21 0.00 0.00 174.62 170.99 1xpn s TRP 137 N -0.67 0.38 -0.22 9.09 -2.14 0.92 -4.90 118.94 121.40 1xpn s TRP 137 Ca 0.02 -0.76 -0.13 0.00 2.66 0.00 0.00 56.10 57.88 1xpn s TRP 137 Cb -0.07 -0.09 -0.04 0.00 -3.10 0.00 0.00 33.47 30.17 1xpn s TRP 137 CO 0.01 -0.67 0.29 -1.12 -2.66 0.00 0.00 176.95 172.80 1xpn s SER 138 N -2.95 6.29 -0.18 -2.66 0.01 -1.26 -0.61 113.70 112.33 1xpn s SER 138 Ca 0.15 0.33 -0.02 0.00 1.31 0.00 0.00 55.95 57.72 1xpn s SER 138 Cb 0.04 -2.17 -0.01 0.00 0.21 0.00 0.00 66.02 64.09 1xpn s SER 138 CO -0.02 -0.02 -0.09 0.00 0.41 0.00 0.00 173.24 173.53 1xpn s ALA 139 N 1.22 2.72 -0.68 1.44 0.00 0.19 -4.94 121.76 121.71 1xpn s ALA 139 Ca 0.14 -1.05 -0.25 0.00 0.00 0.00 0.00 51.96 50.80 1xpn s ALA 139 Cb -0.14 -1.48 0.05 0.00 0.00 0.00 0.00 23.12 21.54 1xpn s ALA 139 CO 0.06 -0.15 1.11 -0.65 0.00 0.00 0.00 175.76 176.13 1xpn s GLN 140 N 1.00 3.19 -0.39 0.00 -0.21 -1.26 0.10 119.66 122.09 1xpn s GLN 140 Ca -0.01 -0.46 -0.09 0.00 0.02 0.00 0.00 55.36 54.83 1xpn s GLN 140 Cb -0.15 -4.18 0.06 0.00 1.00 0.00 0.00 33.01 29.74 1xpn s GLN 140 CO -0.01 -1.91 0.21 0.45 -2.12 0.00 0.00 175.29 171.91 1xpn s SER 141 N 3.57 5.59 0.00 5.90 0.15 0.23 -4.88 113.70 124.26 1xpn s SER 141 Ca 0.30 -1.28 0.00 0.00 0.70 0.00 0.00 55.95 55.66 1xpn s SER 141 Cb -0.12 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.22 1xpn s SER 141 CO 0.14 -0.45 0.00 -0.67 1.20 0.00 0.00 173.24 173.46 1xpn n ASP 142 N 4.91 0.00 0.00 5.45 2.03 -1.26 -1.36 116.55 126.32 1xpn n ASP 142 Ca -0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.20 1xpn n ASP 142 Cb 0.44 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 1xpn n ASP 142 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xpn n GLY 143 N 0.00 0.80 3.02 0.27 0.00 -1.26 -5.08 105.19 102.93 1xpn n GLY 143 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.01 0.62 -0.36 1.61 2.20 -0.46 -5.11 119.74 118.22 1xpn s LYS 144 Ca 0.00 -0.37 -0.23 0.00 -0.36 0.00 0.00 55.97 55.01 1xpn s LYS 144 Cb 0.00 -0.58 0.01 0.00 -1.51 0.00 0.00 37.83 35.75 1xpn s LYS 144 CO 0.00 0.15 0.78 0.99 -0.36 0.00 0.00 175.35 176.91 1xpn s THR 145 N -0.39 4.74 0.10 3.43 2.01 -1.26 -0.60 115.64 123.67 1xpn s THR 145 Ca 0.01 0.87 -0.10 0.00 0.31 0.00 0.00 61.69 62.78 1xpn s THR 145 Cb -0.04 -4.21 -0.06 0.00 0.01 0.00 0.00 72.50 68.20 1xpn s THR 145 CO -0.00 -0.43 0.42 0.27 -0.69 0.00 0.00 174.62 174.19 1xpn s ILE 146 N 3.09 5.07 -0.60 1.82 -4.36 0.11 -4.85 121.20 121.48 1xpn s ILE 146 Ca 0.31 0.46 -0.23 0.00 -0.26 0.00 0.00 60.65 60.92 1xpn s ILE 146 Cb -0.13 -3.65 0.05 0.00 1.25 0.00 0.00 42.46 39.98 1xpn s ILE 146 CO 0.17 0.24 0.96 -0.89 0.24 0.00 0.00 174.94 175.66 1xpn s THR 147 N -1.45 4.34 -0.06 8.37 2.01 -1.26 -0.64 115.64 126.95 1xpn s THR 147 Ca 0.35 0.01 -0.07 0.00 0.31 0.00 0.00 61.69 62.29 1xpn s THR 147 Cb -0.14 -4.61 -0.04 0.00 0.01 0.00 0.00 72.50 67.72 1xpn s THR 147 CO 0.19 -1.28 0.20 -1.61 -0.69 0.00 0.00 174.62 171.43 1xpn s GLU 148 N 4.05 3.51 0.99 4.92 0.41 0.22 -4.44 118.70 128.36 1xpn s GLU 148 Ca 0.27 -0.11 0.00 0.00 -0.41 0.00 0.00 54.97 54.72 1xpn s GLU 148 Cb -0.14 -3.15 0.00 0.00 -1.78 0.00 0.00 34.13 29.06 1xpn s GLU 148 CO 0.15 0.72 0.00 0.41 -0.49 0.00 0.00 175.26 176.05 1xpn n GLY 149 N 1.55 -1.87 0.00 -1.39 0.00 -1.26 -0.06 105.19 102.16 1xpn n GLY 149 Ca -0.16 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 0.16 3.52 -0.02 0.00 0.08 -0.45 105.19 108.48 1xpn n GLY 150 Ca 0.00 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 44.63 1xpn n GLY 150 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xpn s THR 151 N -3.42 4.53 -0.22 2.61 2.01 -0.33 -0.34 115.64 120.48 1xpn s THR 151 Ca 0.00 0.20 -0.05 0.00 0.31 0.00 0.00 61.69 62.16 1xpn s THR 151 Cb 0.00 -4.44 -0.02 0.00 0.01 0.00 0.00 72.50 68.05 1xpn s THR 151 CO 0.00 -0.96 -0.01 0.54 -0.69 0.00 0.00 174.62 173.50 1xpn s VAL 152 N 3.57 3.73 -0.21 3.82 0.11 0.32 -0.79 120.40 130.94 1xpn s VAL 152 Ca 0.28 -0.38 -0.04 0.00 -2.93 0.00 0.00 61.98 58.91 1xpn s VAL 152 Cb -0.13 -2.70 -0.02 0.00 -1.53 0.00 0.00 36.38 32.00 1xpn s VAL 152 CO 0.19 0.41 -0.02 -0.89 -3.33 0.00 0.00 175.10 171.46 1xpn s THR 153 N 1.33 3.65 -0.19 5.04 2.01 -0.78 -0.62 115.64 126.08 1xpn s THR 153 Ca 0.04 -0.41 -0.04 0.00 0.31 0.00 0.00 61.69 61.59 1xpn s THR 153 Cb -0.15 -2.66 -0.02 0.00 0.01 0.00 0.00 72.50 69.68 1xpn s THR 153 CO -0.00 0.42 -0.02 -0.75 -0.69 0.00 0.00 174.62 173.57 1xpn s LYS 154 N 1.31 3.59 -0.23 4.92 2.20 0.76 -4.72 119.74 127.57 1xpn s LYS 154 Ca 0.04 -0.54 -0.29 0.00 -0.36 0.00 0.00 55.97 54.82 1xpn s LYS 154 Cb -0.14 -3.00 0.01 0.00 -1.51 0.00 0.00 37.83 33.19 1xpn s LYS 154 CO -0.00 0.07 1.03 -1.17 -0.36 0.00 0.00 175.35 174.92 1xpn s LEU 155 N 0.83 4.10 -0.07 5.43 2.96 -1.26 -0.20 118.68 130.48 1xpn s LEU 155 Ca -0.00 1.37 -0.01 0.00 -0.22 0.00 0.00 54.13 55.27 1xpn s LEU 155 Cb -0.14 -3.53 0.03 0.00 0.50 0.00 0.00 46.19 43.04 1xpn s LEU 155 CO 0.02 -0.66 -0.02 -0.69 -1.32 0.00 0.00 176.35 173.68 1xpn s VAL 156 N 3.17 0.47 -0.56 1.68 1.01 -0.09 -4.99 120.40 121.10 1xpn s VAL 156 Ca 0.44 0.03 -0.23 0.00 0.00 0.00 0.00 61.98 62.22 1xpn s VAL 156 Cb -0.15 -0.58 0.05 0.00 0.00 0.00 0.00 36.38 35.70 1xpn s VAL 156 CO 0.06 0.26 0.90 -0.89 0.00 0.00 0.00 175.10 175.44 1xpn s THR 157 N 1.69 4.44 -0.96 3.92 2.01 -1.26 -0.09 115.64 125.39 1xpn s THR 157 Ca 0.01 0.11 -0.20 0.00 0.31 0.00 0.00 61.69 61.92 1xpn s THR 157 Cb -0.13 -4.53 0.11 0.00 0.01 0.00 0.00 72.50 67.97 1xpn s THR 157 CO -0.04 -1.12 1.22 -0.69 -0.69 0.00 0.00 174.62 173.30 1xpn s VAL 158 N 3.80 4.51 -1.25 3.82 1.01 0.14 -4.69 120.40 127.74 1xpn s VAL 158 Ca 0.27 -1.36 0.13 0.00 0.00 0.00 0.00 61.98 61.03 1xpn s VAL 158 Cb -0.14 -4.86 0.34 0.00 0.00 0.00 0.00 36.38 31.72 1xpn s VAL 158 CO 0.17 -1.63 1.26 -1.20 0.00 0.00 0.00 175.10 173.70 1xpn n SER 159 N 7.18 3.00 -4.42 3.32 7.64 -1.26 -0.41 113.62 128.68 1xpn n SER 159 Ca 0.27 -1.93 -0.44 0.00 1.01 0.00 0.00 58.87 57.77 1xpn n SER 159 Cb 0.50 -0.24 -0.03 0.00 -1.01 0.00 0.00 64.21 63.42 1xpn n SER 159 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1xpn s GLY 160 N -1.02 1.88 0.32 0.23 0.00 -1.26 -4.78 107.32 102.68 1xpn s GLY 160 Ca 0.27 -2.54 0.14 0.00 0.00 0.00 0.00 44.72 42.59 1xpn s GLY 160 CO 0.19 1.83 1.67 0.23 0.00 0.00 0.00 173.10 177.03 1xpn h SER 161 N 8.92 0.00 -3.88 1.64 0.87 -1.88 -2.32 113.55 116.90 1xpn h SER 161 Ca -0.03 0.00 -0.50 0.00 -1.23 0.00 0.00 61.79 60.03 1xpn h SER 161 Cb 1.05 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 63.04 1xpn h SER 161 CO 1.08 0.51 0.23 -1.10 -0.53 0.00 0.00 176.83 177.01 1xpn s GLN 162 N -3.65 3.64 -0.78 2.24 -0.21 -1.26 -3.76 119.66 115.88 1xpn s GLN 162 Ca -0.01 0.48 -0.31 0.00 0.02 0.00 0.00 55.36 55.55 1xpn s GLN 162 Cb 0.12 -2.27 -0.17 0.00 1.00 0.00 0.00 33.01 31.70 1xpn s GLN 162 CO 0.73 -0.29 2.55 -2.30 -2.12 0.00 0.00 175.29 173.86 1xpn n PRO 163 N -2.16 0.38 -3.34 2.91 -0.02 -1.26 -4.38 135.00 127.13 1xpn n PRO 163 Ca 0.03 0.02 -0.42 0.00 -2.02 0.00 0.00 63.50 61.11 1xpn n PRO 163 Cb 0.54 -2.14 -0.09 0.00 -0.02 0.00 0.00 33.50 31.80 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 8.42 3.34 -0.33 -0.52 0.74 0.59 -4.89 119.66 127.01 1xpn s GLN 164 Ca 1.22 -0.55 -0.25 0.00 0.05 0.00 0.00 55.36 55.82 1xpn s GLN 164 Cb -0.93 -3.89 0.01 0.00 1.10 0.00 0.00 33.01 29.30 1xpn s GLN 164 CO 0.43 -0.71 0.89 0.21 -0.55 0.00 0.00 175.29 175.56 1xpn s LYS 165 N 2.13 3.93 -0.22 1.67 2.20 -1.26 -0.23 119.74 127.97 1xpn s LYS 165 Ca 0.13 0.67 -0.01 0.00 -0.36 0.00 0.00 55.97 56.39 1xpn s LYS 165 Cb -0.17 -3.76 0.02 0.00 -1.51 0.00 0.00 37.83 32.42 1xpn s LYS 165 CO 0.13 -0.82 -0.10 0.08 -0.36 0.00 0.00 175.35 174.28 1xpn s VAL 166 N 3.26 2.70 -0.46 4.02 1.01 0.14 -4.93 120.40 126.13 1xpn s VAL 166 Ca 0.37 -0.93 -0.22 0.00 0.00 0.00 0.00 61.98 61.19 1xpn s VAL 166 Cb -0.13 -2.29 0.03 0.00 0.00 0.00 0.00 36.38 33.99 1xpn s VAL 166 CO 0.15 0.33 0.74 -0.76 0.00 0.00 0.00 175.10 175.56 1xpn s LEU 167 N 1.33 4.35 -0.74 3.92 1.02 -1.26 -1.97 118.68 125.33 1xpn s LEU 167 Ca 0.02 -0.24 -0.26 0.00 0.02 0.00 0.00 54.13 53.67 1xpn s LEU 167 Cb -0.15 -2.86 0.02 0.00 0.02 0.00 0.00 46.19 43.22 1xpn s LEU 167 CO -0.07 -0.89 1.45 -0.22 0.02 0.00 0.00 176.35 176.64 1xpn s LEU 168 N 3.16 3.22 0.15 1.79 2.96 0.11 -4.88 118.68 125.19 1xpn s LEU 168 Ca 0.27 -0.37 -0.25 0.00 -0.22 0.00 0.00 54.13 53.56 1xpn s LEU 168 Cb -0.13 -2.55 0.07 0.00 0.50 0.00 0.00 46.19 44.07 1xpn s LEU 168 CO 0.21 -1.96 0.99 0.28 -1.32 0.00 0.00 176.35 174.55 1xpn s THR 169 N 6.57 0.00 0.00 3.68 -1.32 -1.26 -2.47 115.64 120.84 1xpn s THR 169 Ca 0.45 -0.63 0.00 0.00 -1.21 0.00 0.00 61.69 60.29 1xpn s THR 169 Cb -0.08 -2.09 0.00 0.00 -1.51 0.00 0.00 72.50 68.82 1xpn s THR 169 CO 0.13 0.00 0.00 -1.14 -2.21 0.00 0.00 174.62 171.40