#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 4.78 0.61 1.61 0.01 -1.26 -4.67 113.70 114.79 1xpn s SER 2 Ca 0.00 1.38 0.00 0.00 1.31 0.00 0.00 55.95 58.64 1xpn s SER 2 Cb 0.00 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.73 1xpn s SER 2 CO 0.00 -2.57 0.00 -1.54 0.41 0.00 0.00 173.24 169.54 1xpn n SER 3 N 14.47 -7.71 -4.34 2.44 3.41 -1.26 -4.70 113.62 115.92 1xpn n SER 3 Ca 0.34 1.47 -0.46 0.00 -0.26 0.00 0.00 58.87 59.96 1xpn n SER 3 Cb 0.51 -4.88 -0.04 0.00 -0.26 0.00 0.00 64.21 59.54 1xpn n SER 3 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1xpn s HIS 4 N -4.37 3.36 -0.28 7.33 4.02 -1.26 -5.03 115.29 119.06 1xpn s HIS 4 Ca 0.00 -1.48 -0.05 0.00 1.02 0.00 0.00 55.06 54.55 1xpn s HIS 4 Cb 0.00 -3.90 0.01 0.00 -1.02 0.00 0.00 32.58 27.67 1xpn s HIS 4 CO 0.00 -1.12 0.04 -3.38 1.02 0.00 0.00 174.74 171.30 1xpn s HIS 5 N 1.43 3.12 -0.17 1.40 0.00 -1.26 -5.04 115.29 114.77 1xpn s HIS 5 Ca 0.13 -1.13 -0.00 0.00 -3.00 0.00 0.00 55.06 51.06 1xpn s HIS 5 Cb -0.19 -2.20 0.04 0.00 -4.00 0.00 0.00 32.58 26.24 1xpn s HIS 5 CO -0.02 -0.61 -0.05 -1.01 -1.00 0.00 0.00 174.74 172.05 1xpn s HIS 6 N 1.45 1.71 0.34 0.38 4.02 -1.26 -5.03 115.29 116.91 1xpn s HIS 6 Ca 0.02 -1.10 0.12 0.00 1.02 0.00 0.00 55.06 55.11 1xpn s HIS 6 Cb -0.17 -1.32 0.62 0.00 -1.02 0.00 0.00 32.58 30.69 1xpn s HIS 6 CO 0.00 -0.62 1.77 1.25 1.02 0.00 0.00 174.74 178.16 1xpn h HIS 7 N 8.11 0.03 -4.64 1.40 -0.00 -1.98 -3.45 115.15 114.64 1xpn h HIS 7 Ca -0.24 -0.01 -0.31 0.00 -0.00 0.00 0.00 60.37 59.81 1xpn h HIS 7 Cb 1.11 -0.01 -0.14 0.00 -0.00 0.00 0.00 27.41 28.37 1xpn h HIS 7 CO 0.45 0.45 -0.58 -1.01 -0.00 0.00 0.00 177.93 177.23 1xpn s HIS 8 N -4.07 1.35 -0.89 5.26 0.09 -1.26 -5.07 115.29 110.69 1xpn s HIS 8 Ca -0.03 -1.45 -0.24 0.00 -0.00 0.00 0.00 55.06 53.34 1xpn s HIS 8 Cb 0.14 -0.62 -0.01 0.00 -0.00 0.00 0.00 32.58 32.09 1xpn s HIS 8 CO 0.74 -0.69 1.73 -1.01 -0.00 0.00 0.00 174.74 175.50 1xpn s HIS 9 N -3.94 2.05 0.30 1.40 4.02 -1.26 -4.88 115.29 112.97 1xpn s HIS 9 Ca 0.39 0.13 -0.07 0.00 1.02 0.00 0.00 55.06 56.53 1xpn s HIS 9 Cb 0.06 -4.30 -0.00 0.00 -1.02 0.00 0.00 32.58 27.31 1xpn s HIS 9 CO 0.16 -1.90 0.47 -1.12 1.02 0.00 0.00 174.74 173.37 1xpn s SER 10 N 6.74 0.39 -1.23 1.40 0.01 -1.26 -4.86 113.70 114.89 1xpn s SER 10 Ca 0.59 -1.24 0.00 0.00 1.31 0.00 0.00 55.95 56.62 1xpn s SER 10 Cb -0.05 0.62 0.00 0.00 0.21 0.00 0.00 66.02 66.80 1xpn s SER 10 CO 0.00 -1.22 0.00 -1.54 0.41 0.00 0.00 173.24 170.89 1xpn n SER 11 N -0.90 -4.15 0.00 2.44 3.41 -1.26 -4.58 113.62 108.57 1xpn n SER 11 Ca -0.01 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 1xpn n SER 11 Cb 0.62 -3.56 0.00 0.00 -0.26 0.00 0.00 64.21 61.01 1xpn n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xpn n GLY 12 N -0.74 0.00 2.74 5.00 0.00 -1.26 -5.05 105.19 105.88 1xpn n GLY 12 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1xpn n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xpn n LEU 13 N 0.00 7.11 -2.33 0.99 4.32 -1.26 -4.66 117.00 121.17 1xpn n LEU 13 Ca 0.00 -4.72 -0.03 0.00 -0.02 0.00 0.00 56.01 51.24 1xpn n LEU 13 Cb 0.00 -1.44 -0.03 0.00 -1.62 0.00 0.00 43.42 40.33 1xpn n LEU 13 CO 0.00 1.60 -0.46 0.52 -1.22 0.00 0.00 177.39 177.83 1xpn n VAL 14 N 2.82-10.07 0.29 4.08 0.31 -1.26 -4.89 118.33 109.61 1xpn n VAL 14 Ca 0.47 1.86 0.18 0.00 -0.01 0.00 0.00 64.34 66.84 1xpn n VAL 14 Cb 0.32 -5.88 0.80 0.00 -0.91 0.00 0.00 33.84 28.17 1xpn n VAL 14 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1xpn h PRO 15 N 2.78 0.00 -3.59 5.55 0.13 -1.98 -3.40 132.00 131.49 1xpn h PRO 15 Ca -0.30 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.38 1xpn h PRO 15 Cb 0.68 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.42 1xpn h PRO 15 CO 0.03 0.02 -0.76 0.50 -0.23 0.00 0.00 178.00 177.56 1xpn s ARG 16 N -3.81 0.51 0.03 0.86 3.52 -1.26 -5.02 118.95 113.78 1xpn s ARG 16 Ca -0.01 0.03 0.00 0.00 -0.13 0.00 0.00 55.73 55.62 1xpn s ARG 16 Cb 0.10 -1.19 0.00 0.00 -1.56 0.00 0.00 34.95 32.30 1xpn s ARG 16 CO 0.52 -0.39 0.00 0.41 -0.81 0.00 0.00 175.30 175.03 1xpn n GLY 17 N 5.15 0.03 3.74 8.12 0.00 -1.26 -5.05 105.19 115.93 1xpn n GLY 17 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1xpn n GLY 17 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xpn s SER 18 N -5.04 6.69 -1.27 1.61 0.01 -1.26 -4.89 113.70 109.56 1xpn s SER 18 Ca 0.00 2.61 -0.09 0.00 1.31 0.00 0.00 55.95 59.78 1xpn s SER 18 Cb 0.00 -2.62 -0.10 0.00 0.21 0.00 0.00 66.02 63.51 1xpn s SER 18 CO 0.00 -0.68 3.04 1.41 0.41 0.00 0.00 173.24 177.43 1xpn n HIS 19 N 2.51 1.96 0.21 2.43 -0.00 -1.26 -4.44 115.22 116.63 1xpn n HIS 19 Ca 0.07 -2.75 0.10 0.00 -0.00 0.00 0.00 57.72 55.14 1xpn n HIS 19 Cb 0.41 -2.25 0.16 0.00 -0.00 0.00 0.00 29.99 28.31 1xpn n HIS 19 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1xpn h MET 20 N 4.54 0.00 -0.59 -0.41 -0.00 -2.03 -3.20 114.93 113.24 1xpn h MET 20 Ca 0.72 0.00 -0.24 0.00 -0.00 0.00 0.00 59.70 60.19 1xpn h MET 20 Cb 0.53 0.00 -0.14 0.00 -0.00 0.00 0.00 31.60 31.99 1xpn h MET 20 CO 1.45 0.11 0.20 0.00 -0.00 0.00 0.00 176.91 178.66 1xpn n ALA 21 N -2.13 4.46 -3.67 -3.00 0.00 -1.26 -4.80 120.51 110.12 1xpn n ALA 21 Ca 0.03 -2.72 -0.30 0.00 0.00 0.00 0.00 53.44 50.46 1xpn n ALA 21 Cb 0.56 -1.04 -0.14 0.00 0.00 0.00 0.00 19.45 18.83 1xpn n ALA 21 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1xpn s SER 22 N -1.73 3.71 0.10 0.00 0.01 -1.21 -5.09 113.70 109.49 1xpn s SER 22 Ca 0.50 -1.98 -0.26 0.00 1.31 0.00 0.00 55.95 55.52 1xpn s SER 22 Cb 0.42 -0.79 0.08 0.00 0.21 0.00 0.00 66.02 65.94 1xpn s SER 22 CO 0.08 -0.36 0.92 0.54 0.41 0.00 0.00 173.24 174.83 1xpn s ASN 23 N 1.21 -0.26 -0.52 2.44 4.22 -1.26 -5.01 114.94 115.76 1xpn s ASN 23 Ca 0.13 -0.25 -0.26 0.00 -2.14 0.00 0.00 52.86 50.34 1xpn s ASN 23 Cb -0.20 0.46 -0.07 0.00 1.28 0.00 0.00 41.25 42.71 1xpn s ASN 23 CO -0.15 -0.81 2.39 -2.16 -2.04 0.00 0.00 177.10 174.34 1xpn s PRO 24 N -3.25 2.07 -1.02 3.55 0.04 -1.26 -4.89 135.00 130.24 1xpn s PRO 24 Ca 0.09 1.30 -0.06 0.00 0.04 0.00 0.00 61.00 62.37 1xpn s PRO 24 Cb -0.01 -4.60 0.25 0.00 0.04 0.00 0.00 34.50 30.18 1xpn s PRO 24 CO -0.02 -3.37 0.97 1.21 0.04 0.00 0.00 177.00 175.83 1xpn s ASN 25 N 11.96 6.78 0.00 6.66 2.47 -1.26 -4.91 114.94 136.64 1xpn s ASN 25 Ca 0.96 -3.66 0.00 0.00 0.42 0.00 0.00 52.86 50.58 1xpn s ASN 25 Cb -0.16 -2.08 0.00 0.00 -1.45 0.00 0.00 41.25 37.55 1xpn s ASN 25 CO 0.24 -0.24 0.00 0.47 -3.72 0.00 0.00 177.10 173.85 1xpn n ASP 26 N 2.54 0.00 -0.29 -4.21 8.00 -1.26 -4.74 116.55 116.59 1xpn n ASP 26 Ca 0.23 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1xpn n ASP 26 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 1xpn n ASP 26 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1xpn n LEU 27 N 0.00 -0.84 -4.58 0.64 4.32 -1.26 -4.97 117.00 110.30 1xpn n LEU 27 Ca 0.00 0.55 -0.41 0.00 -0.02 0.00 0.00 56.01 56.12 1xpn n LEU 27 Cb 0.00 0.26 0.01 0.00 -1.62 0.00 0.00 43.42 42.07 1xpn n LEU 27 CO 0.00 -0.01 0.49 -0.81 -1.22 0.00 0.00 177.39 175.84 1xpn n PRO 28 N -1.28 1.19 -2.15 3.23 -0.04 -1.26 -4.79 135.00 129.90 1xpn n PRO 28 Ca 0.00 0.43 -0.30 0.00 -0.04 0.00 0.00 63.50 63.59 1xpn n PRO 28 Cb 0.04 -1.94 -0.05 0.00 -0.04 0.00 0.00 33.50 31.51 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 -0.79 5.37 -0.39 3.54 2.15 -1.26 -4.81 116.67 120.48 1xpn s ASP 29 Ca 0.63 -1.33 0.01 0.00 0.43 0.00 0.00 52.55 52.29 1xpn s ASP 29 Cb -0.57 -2.58 0.13 0.00 -0.30 0.00 0.00 42.92 39.60 1xpn s ASP 29 CO 0.57 -2.64 0.20 -0.36 -0.17 0.00 0.00 175.17 172.77 1xpn s PHE 30 N 9.51 1.55 1.01 -5.34 0.08 -1.26 -5.12 117.98 118.40 1xpn s PHE 30 Ca 0.66 -2.05 -0.12 0.00 0.12 0.00 0.00 56.93 55.54 1xpn s PHE 30 Cb -0.03 -1.57 0.19 0.00 -0.57 0.00 0.00 43.02 41.04 1xpn s PHE 30 CO 0.05 -0.81 1.08 -1.25 -0.10 0.00 0.00 175.22 174.19 1xpn s PRO 31 N 0.81 0.34 -1.20 0.24 0.04 -1.26 -4.75 135.00 129.23 1xpn s PRO 31 Ca 0.16 0.91 -0.14 0.00 0.04 0.00 0.00 61.00 61.97 1xpn s PRO 31 Cb -0.23 -1.70 -0.06 0.00 0.04 0.00 0.00 34.50 32.56 1xpn s PRO 31 CO -0.05 -2.89 2.27 -1.91 0.04 0.00 0.00 177.00 174.46 1xpn n GLU 32 N -4.34 2.49 0.00 4.56 0.00 -1.26 -4.07 120.64 118.03 1xpn n GLU 32 Ca 0.06 -2.10 0.11 0.00 0.00 0.00 0.00 57.16 55.23 1xpn n GLU 32 Cb 0.55 -2.93 0.03 0.00 0.00 0.00 0.00 31.44 29.08 1xpn n GLU 32 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1xpn n HIS 33 N 5.64 0.02 -0.07 4.31 8.25 -1.26 -4.64 115.22 127.47 1xpn n HIS 33 Ca 0.55 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.92 1xpn n HIS 33 Cb 0.31 -0.13 -0.15 0.00 1.12 0.00 0.00 29.99 31.15 1xpn n HIS 33 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1xpn n GLU 34 N -1.53 0.67 -0.09 -0.41 2.13 -1.26 -3.90 120.64 116.24 1xpn n GLU 34 Ca 0.04 0.11 -0.23 0.00 0.66 0.00 0.00 57.16 57.75 1xpn n GLU 34 Cb 0.34 -1.63 -0.12 0.00 0.27 0.00 0.00 31.44 30.31 1xpn n GLU 34 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1xpn n TYR 35 N -2.87 0.91 0.71 4.31 4.02 -1.26 -4.15 117.16 118.83 1xpn n TYR 35 Ca -0.27 0.36 0.09 0.00 -0.01 0.00 0.00 57.90 58.07 1xpn n TYR 35 Cb 1.12 -1.10 0.42 0.00 -0.02 0.00 0.00 39.34 39.76 1xpn n TYR 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1xpn n ALA 36 N -3.46 1.90 0.01 -0.72 0.00 -1.26 -2.33 120.51 114.64 1xpn n ALA 36 Ca -0.35 -0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.12 1xpn n ALA 36 Cb 0.76 -1.30 0.28 0.00 0.00 0.00 0.00 19.45 19.18 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 -1.44 2.45 -1.63 0.00 0.00 -1.25 -4.95 120.51 113.69 1xpn n ALA 37 Ca 0.06 -1.10 -0.31 0.00 0.00 0.00 0.00 53.44 52.08 1xpn n ALA 37 Cb 0.20 -0.96 0.04 0.00 0.00 0.00 0.00 19.45 18.73 1xpn n ALA 37 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1xpn s THR 38 N -1.23 4.08 0.14 0.00 -4.23 -0.98 -5.06 115.64 108.36 1xpn s THR 38 Ca 0.42 0.74 0.02 0.00 -1.18 0.00 0.00 61.69 61.69 1xpn s THR 38 Cb 0.22 -3.46 -0.04 0.00 1.34 0.00 0.00 72.50 70.57 1xpn s THR 38 CO 0.27 -0.82 0.26 -1.10 -0.54 0.00 0.00 174.62 172.70 1xpn s GLN 39 N -4.85 3.40 -0.14 3.99 -1.52 -1.26 -5.00 119.66 114.27 1xpn s GLN 39 Ca 0.59 -0.60 0.15 0.00 -1.95 0.00 0.00 55.36 53.54 1xpn s GLN 39 Cb -0.14 -2.95 0.68 0.00 -0.22 0.00 0.00 33.01 30.39 1xpn s GLN 39 CO 0.51 0.53 1.57 0.00 -0.25 0.00 0.00 175.29 177.65 1xpn n GLN 40 N -0.45 3.86 -3.05 2.91 10.64 -1.26 -4.83 117.38 125.20 1xpn n GLN 40 Ca -0.07 -2.67 -0.43 0.00 -1.83 0.00 0.00 57.00 52.00 1xpn n GLN 40 Cb 0.54 -1.97 -0.06 0.00 -0.86 0.00 0.00 30.24 27.89 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 -2.11 4.73 -0.28 -0.39 1.01 -1.26 -4.99 120.40 117.10 1xpn s VAL 41 Ca 0.47 -0.04 -0.15 0.00 0.00 0.00 0.00 61.98 62.26 1xpn s VAL 41 Cb 0.33 -4.33 0.10 0.00 0.00 0.00 0.00 36.38 32.48 1xpn s VAL 41 CO 0.19 -0.80 0.73 -0.83 0.00 0.00 0.00 175.10 174.38 1xpn s GLY 42 N 2.46 -0.56 -0.01 4.51 0.00 -1.26 -4.32 107.32 108.13 1xpn s GLY 42 Ca 0.22 2.52 0.01 0.00 0.00 0.00 0.00 44.72 47.48 1xpn s GLY 42 CO 0.17 2.56 0.87 0.61 0.00 0.00 0.00 173.10 177.30 1xpn n GLY 43 N 4.44 -0.18 3.77 0.20 0.00 -1.01 -4.04 105.19 108.38 1xpn n GLY 43 Ca -0.18 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.82 2.88 -0.25 -0.02 0.00 0.01 -4.60 107.32 104.51 1xpn s GLY 44 Ca 0.02 0.79 -0.03 0.00 0.00 0.00 0.00 44.72 45.51 1xpn s GLY 44 CO 0.00 1.30 -0.04 0.14 0.00 0.00 0.00 173.10 174.50 1xpn s VAL 45 N -1.45 3.10 -0.25 1.40 1.01 -1.26 -1.81 120.40 121.15 1xpn s VAL 45 Ca 0.53 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 1xpn s VAL 45 Cb -0.26 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 1xpn s VAL 45 CO 0.34 0.21 0.07 -0.63 0.00 0.00 0.00 175.10 175.08 1xpn s ILE 46 N 1.37 4.26 -0.18 2.22 1.01 -0.61 -0.81 121.20 128.47 1xpn s ILE 46 Ca 0.01 -0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.45 1xpn s ILE 46 Cb -0.16 -3.01 0.02 0.00 0.01 0.00 0.00 42.46 39.32 1xpn s ILE 46 CO -0.03 0.32 -0.17 0.21 0.00 0.00 0.00 174.94 175.27 1xpn s ASN 47 N 1.60 3.11 0.06 3.58 3.84 -0.61 -0.94 114.94 125.58 1xpn s ASN 47 Ca 0.06 -0.67 0.04 0.00 0.21 0.00 0.00 52.86 52.50 1xpn s ASN 47 Cb -0.15 -1.38 -0.03 0.00 -0.55 0.00 0.00 41.25 39.14 1xpn s ASN 47 CO 0.03 -0.04 -0.12 -0.83 -2.79 0.00 0.00 177.10 173.36 1xpn s GLY 48 N 1.34 0.73 -0.26 1.21 0.00 -1.05 -1.58 107.32 107.71 1xpn s GLY 48 Ca 0.04 -0.90 -0.09 0.00 0.00 0.00 0.00 44.72 43.77 1xpn s GLY 48 CO -0.11 -0.93 0.12 0.99 0.00 0.00 0.00 173.10 173.16 1xpn s ASP 49 N -1.62 5.55 -0.20 1.64 1.01 -0.78 -2.24 116.67 120.02 1xpn s ASP 49 Ca -0.04 -0.10 -0.15 0.00 0.71 0.00 0.00 52.55 52.97 1xpn s ASP 49 Cb -0.10 -2.01 -0.04 0.00 1.01 0.00 0.00 42.92 41.78 1xpn s ASP 49 CO 0.02 -0.02 0.38 -0.22 0.21 0.00 0.00 175.17 175.53 1xpn s LEU 50 N 1.56 4.16 -0.29 1.23 2.96 0.11 0.10 118.68 128.50 1xpn s LEU 50 Ca 0.06 0.49 -0.14 0.00 -0.22 0.00 0.00 54.13 54.32 1xpn s LEU 50 Cb -0.15 -2.48 0.13 0.00 0.50 0.00 0.00 46.19 44.19 1xpn s LEU 50 CO 0.06 -0.05 0.82 -0.72 -1.32 0.00 0.00 176.35 175.14 1xpn s TYR 51 N 1.22 -0.93 -0.11 5.38 1.13 -0.83 -4.29 117.35 118.93 1xpn s TYR 51 Ca 0.18 1.73 -0.02 0.00 -1.41 0.00 0.00 57.07 57.55 1xpn s TYR 51 Cb -0.15 0.56 -0.03 0.00 -1.10 0.00 0.00 41.96 41.24 1xpn s TYR 51 CO 0.07 -0.46 -0.03 -0.51 -2.51 0.00 0.00 175.55 172.11 1xpn s LEU 52 N 2.07 3.36 -0.35 -3.49 1.43 -0.48 -4.33 118.68 116.89 1xpn s LEU 52 Ca -0.07 -0.00 -0.28 0.00 -1.03 0.00 0.00 54.13 52.74 1xpn s LEU 52 Cb -0.07 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.39 1xpn s LEU 52 CO -0.18 0.28 1.04 0.42 0.23 0.00 0.00 176.35 178.14 1xpn s THR 53 N -0.33 4.49 0.74 5.49 -4.23 -1.26 -1.95 115.64 118.59 1xpn s THR 53 Ca 0.06 1.51 -0.14 0.00 -1.18 0.00 0.00 61.69 61.94 1xpn s THR 53 Cb -0.12 -4.41 0.04 0.00 1.34 0.00 0.00 72.50 69.35 1xpn s THR 53 CO 0.02 -0.56 1.16 -0.44 -0.54 0.00 0.00 174.62 174.26 1xpn s SER 54 N 1.83 4.31 0.50 3.99 0.01 -1.26 -4.88 113.70 118.19 1xpn s SER 54 Ca 0.43 2.18 0.23 0.00 1.31 0.00 0.00 55.95 60.11 1xpn s SER 54 Cb -0.11 -2.57 1.30 0.00 0.21 0.00 0.00 66.02 64.85 1xpn s SER 54 CO 0.18 -2.18 2.04 0.00 0.41 0.00 0.00 173.24 173.70 1xpn h ALA 55 N -0.51 1.39 -0.01 1.44 0.00 -1.98 0.74 119.26 120.33 1xpn h ALA 55 Ca -0.46 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1xpn h ALA 55 Cb 1.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1xpn h ALA 55 CO 0.50 0.19 -0.04 0.43 0.00 0.00 0.00 179.25 180.33 1xpn n SER 56 N -3.83 0.56 -1.98 0.00 7.64 -1.26 -4.93 113.62 109.82 1xpn n SER 56 Ca -0.02 -0.97 -0.14 0.00 1.01 0.00 0.00 58.87 58.75 1xpn n SER 56 Cb 0.25 -0.03 0.03 0.00 -1.01 0.00 0.00 64.21 63.44 1xpn n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xpn n GLY 57 N 1.15 -0.04 0.14 0.23 0.00 0.25 -4.94 105.19 101.98 1xpn n GLY 57 Ca 0.19 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1xpn n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xpn h ALA 58 N 0.61 0.30 -2.58 4.61 0.00 -1.92 -3.47 119.26 116.82 1xpn h ALA 58 Ca -0.33 -1.25 0.00 0.00 0.00 0.00 0.00 54.91 53.34 1xpn h ALA 58 Cb 1.22 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1xpn h ALA 58 CO 0.35 1.17 -0.51 -0.89 0.00 0.00 0.00 179.25 179.37 1xpn n ILE 59 N -3.51 -6.60 -4.44 0.00 5.41 -1.26 -4.92 119.36 104.04 1xpn n ILE 59 Ca -0.26 1.69 -0.22 0.00 1.00 0.00 0.00 62.75 64.97 1xpn n ILE 59 Cb 1.06 -3.35 -0.16 0.00 -0.71 0.00 0.00 39.64 36.48 1xpn n ILE 59 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1xpn s GLN 60 N -2.18 1.17 0.00 0.38 0.74 -0.82 -4.93 119.66 114.01 1xpn s GLN 60 Ca 0.00 -0.32 0.00 0.00 0.05 0.00 0.00 55.36 55.09 1xpn s GLN 60 Cb 0.00 -1.06 0.00 0.00 1.10 0.00 0.00 33.01 33.05 1xpn s GLN 60 CO 0.00 0.08 0.67 1.63 -0.55 0.00 0.00 175.29 177.12 1xpn n LYS 61 N 3.50 0.00 0.00 1.67 4.76 -1.26 -1.38 118.16 125.45 1xpn n LYS 61 Ca -0.20 0.46 0.00 0.00 -2.87 0.00 0.00 58.31 55.70 1xpn n LYS 61 Cb 0.53 -1.31 0.00 0.00 -1.84 0.00 0.00 35.03 32.41 1xpn n LYS 61 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xpn n GLY 62 N -0.05 2.52 3.45 0.72 0.00 -1.26 -3.54 105.19 107.03 1xpn n GLY 62 Ca 0.00 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 45.03 1xpn n GLY 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xpn s THR 63 N 0.00 2.84 -1.66 2.61 -4.23 -1.26 -4.27 115.64 109.67 1xpn s THR 63 Ca 0.00 -0.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 1xpn s THR 63 Cb 0.00 -2.14 0.00 0.00 1.34 0.00 0.00 72.50 71.70 1xpn s THR 63 CO 0.00 0.47 0.00 -3.20 -0.54 0.00 0.00 174.62 171.35 1xpn n ASN 64 N 1.96 -4.93 -4.75 3.99 5.15 -0.91 -4.96 115.26 110.79 1xpn n ASN 64 Ca -0.16 0.32 -0.38 0.00 -0.60 0.00 0.00 54.58 53.76 1xpn n ASN 64 Cb 0.52 -3.90 -0.06 0.00 -0.53 0.00 0.00 39.78 35.81 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 -2.64 5.15 -0.36 -0.44 2.01 -1.26 -4.85 115.64 113.26 1xpn s THR 65 Ca 0.00 0.87 -0.26 0.00 0.31 0.00 0.00 61.69 62.61 1xpn s THR 65 Cb 0.00 -3.76 0.01 0.00 0.01 0.00 0.00 72.50 68.76 1xpn s THR 65 CO 0.00 0.41 0.93 -0.75 -0.69 0.00 0.00 174.62 174.52 1xpn s LYS 66 N 0.11 3.88 -0.29 4.92 2.20 -1.26 -1.53 119.74 127.76 1xpn s LYS 66 Ca 0.24 0.64 -0.11 0.00 -0.36 0.00 0.00 55.97 56.38 1xpn s LYS 66 Cb -0.15 -3.79 -0.04 0.00 -1.51 0.00 0.00 37.83 32.34 1xpn s LYS 66 CO 0.10 -0.92 0.19 0.08 -0.36 0.00 0.00 175.35 174.44 1xpn s VAL 67 N 3.45 5.15 -0.19 4.02 1.01 0.93 -3.94 120.40 130.83 1xpn s VAL 67 Ca 0.38 -0.00 -0.07 0.00 0.00 0.00 0.00 61.98 62.29 1xpn s VAL 67 Cb -0.12 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1xpn s VAL 67 CO 0.18 0.18 0.06 0.00 0.00 0.00 0.00 175.10 175.52 1xpn s ALA 68 N 1.73 3.36 -0.53 5.51 0.00 0.44 -0.09 121.76 132.18 1xpn s ALA 68 Ca 0.07 -0.81 -0.08 0.00 0.00 0.00 0.00 51.96 51.13 1xpn s ALA 68 Cb -0.16 -1.94 0.14 0.00 0.00 0.00 0.00 23.12 21.15 1xpn s ALA 68 CO 0.10 0.07 0.40 -1.17 0.00 0.00 0.00 175.76 175.16 1xpn s LEU 69 N 0.57 5.71 -0.13 0.00 2.96 -0.16 -0.58 118.68 127.05 1xpn s LEU 69 Ca 0.03 -2.16 -0.06 0.00 -0.22 0.00 0.00 54.13 51.72 1xpn s LEU 69 Cb -0.13 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 1xpn s LEU 69 CO 0.01 -0.62 0.08 -1.83 -1.32 0.00 0.00 176.35 172.68 1xpn s GLU 70 N 0.98 3.52 0.37 1.98 -1.05 -0.24 -2.85 118.70 121.41 1xpn s GLU 70 Ca 0.09 -0.27 -0.27 0.00 -0.15 0.00 0.00 54.97 54.38 1xpn s GLU 70 Cb -0.23 -3.11 -0.09 0.00 -0.44 0.00 0.00 34.13 30.26 1xpn s GLU 70 CO -0.02 0.59 1.23 -1.25 0.95 0.00 0.00 175.26 176.76 1xpn s PRO 71 N -0.52 4.15 -0.48 -4.83 0.04 -1.26 0.22 135.00 132.33 1xpn s PRO 71 Ca 0.11 2.01 -0.26 0.00 0.04 0.00 0.00 61.00 62.90 1xpn s PRO 71 Cb -0.12 -2.84 -0.06 0.00 0.04 0.00 0.00 34.50 31.53 1xpn s PRO 71 CO 0.02 -0.29 2.29 0.00 0.04 0.00 0.00 177.00 179.06 1xpn s ALA 72 N -1.28 1.85 0.15 8.56 0.00 -0.85 -4.78 121.76 125.42 1xpn s ALA 72 Ca 0.54 0.00 0.10 0.00 0.00 0.00 0.00 51.96 52.60 1xpn s ALA 72 Cb -0.35 -4.30 -0.04 0.00 0.00 0.00 0.00 23.12 18.42 1xpn s ALA 72 CO 0.45 -4.17 -0.22 0.95 0.00 0.00 0.00 175.76 172.77 1xpn s THR 73 N 11.22 2.01 0.22 0.00 -4.23 -1.26 -5.02 115.64 118.57 1xpn s THR 73 Ca 0.93 -1.82 0.15 0.00 -1.18 0.00 0.00 61.69 59.76 1xpn s THR 73 Cb -0.18 -1.87 0.06 0.00 1.34 0.00 0.00 72.50 71.85 1xpn s THR 73 CO 0.26 -0.13 1.68 0.28 -0.54 0.00 0.00 174.62 176.18 1xpn h SER 74 N 3.56 0.00 0.12 3.99 0.02 -1.98 -2.84 113.55 116.43 1xpn h SER 74 Ca -0.46 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.34 1xpn h SER 74 Cb 1.19 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 1xpn h SER 74 CO 0.45 0.48 -0.53 0.22 -1.14 0.00 0.00 176.83 176.31 1xpn h TYR 75 N 0.00 0.55 0.00 3.45 3.20 -1.93 -2.99 116.97 119.25 1xpn h TYR 75 Ca -0.00 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.67 1xpn h TYR 75 Cb 0.97 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.14 1xpn h TYR 75 CO 0.00 0.88 -0.25 -1.33 -1.64 0.00 0.00 178.16 175.82 1xpn n MET 76 N -3.95 0.07 -0.17 1.82 2.81 -1.13 -3.99 117.12 112.58 1xpn n MET 76 Ca -0.03 0.03 0.03 0.00 -1.81 0.00 0.00 57.70 55.93 1xpn n MET 76 Cb 0.58 -1.56 0.32 0.00 -0.71 0.00 0.00 33.22 31.85 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 0.00 0.82 -0.01 0.03 3.11 -1.35 -1.03 116.57 118.14 1xpn h LYS 77 Ca 0.00 -0.05 -0.17 0.00 -2.81 0.00 0.00 60.65 57.62 1xpn h LYS 77 Cb 0.56 -0.18 -0.02 0.00 -1.00 0.00 0.00 32.23 31.59 1xpn h LYS 77 CO 0.00 0.54 -0.77 0.00 -2.81 0.00 0.00 179.45 176.41 1xpn h ALA 78 N 1.60 0.70 0.00 5.00 0.00 -1.75 -3.13 119.26 121.67 1xpn h ALA 78 Ca 0.27 -0.67 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 1xpn h ALA 78 Cb 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1xpn h ALA 78 CO -0.07 0.90 -0.54 -0.92 0.00 0.00 0.00 179.25 178.62 1xpn h TYR 79 N 0.06 0.00 -0.01 0.00 3.20 -1.44 -2.53 116.97 116.25 1xpn h TYR 79 Ca -0.02 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.79 1xpn h TYR 79 Cb 1.35 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.61 1xpn h TYR 79 CO 0.01 0.54 -0.26 -0.92 -1.64 0.00 0.00 178.16 175.89 1xpn h TYR 80 N 0.00 0.02 0.00 -3.82 3.20 -1.25 -2.11 116.97 113.01 1xpn h TYR 80 Ca -0.01 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.73 1xpn h TYR 80 Cb 1.15 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.40 1xpn h TYR 80 CO 0.00 0.28 -0.60 0.00 -1.64 0.00 0.00 178.16 176.20 1xpn h ALA 81 N 1.72 0.77 -0.03 1.82 0.00 -1.48 -2.63 119.26 119.43 1xpn h ALA 81 Ca 0.00 -0.55 -0.24 0.00 0.00 0.00 0.00 54.91 54.12 1xpn h ALA 81 Cb 0.48 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1xpn h ALA 81 CO 0.03 0.75 -0.95 0.87 0.00 0.00 0.00 179.25 179.95 1xpn h LYS 82 N 0.00 0.63 0.00 0.00 1.57 -1.29 -3.46 116.57 114.02 1xpn h LYS 82 Ca -0.01 -0.63 0.00 0.00 -1.87 0.00 0.00 60.65 58.14 1xpn h LYS 82 Cb 1.25 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.73 1xpn h LYS 82 CO 0.08 1.24 0.00 1.19 -0.57 0.00 0.00 179.45 181.39 1xpn n PHE 83 N -3.84 0.00 0.00 -1.35 3.72 -0.85 -5.07 117.46 110.08 1xpn n PHE 83 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1xpn n PHE 83 Cb 0.84 0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.39 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 2.25 4.18 3.41 1.37 0.00 -0.99 -3.79 105.19 111.62 1xpn n GLY 84 Ca 0.00 0.09 -0.45 0.00 0.00 0.00 0.00 46.02 45.66 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 6.53 -0.15 1.61 2.20 -1.25 -4.48 114.94 115.40 1xpn s ASN 85 Ca 0.00 -1.99 0.01 0.00 -0.94 0.00 0.00 52.86 49.94 1xpn s ASN 85 Cb 0.00 -2.34 0.02 0.00 -2.00 0.00 0.00 41.25 36.93 1xpn s ASN 85 CO 0.00 -0.99 -0.16 -0.22 -2.94 0.00 0.00 177.10 172.79 1xpn s LEU 86 N 2.20 1.82 0.41 3.54 0.20 -0.92 -4.95 118.68 120.98 1xpn s LEU 86 Ca 0.24 -0.52 -0.26 0.00 0.69 0.00 0.00 54.13 54.27 1xpn s LEU 86 Cb -0.11 -1.26 -0.10 0.00 -0.43 0.00 0.00 46.19 44.29 1xpn s LEU 86 CO -0.05 -0.02 1.41 0.47 -0.29 0.00 0.00 176.35 177.88 1xpn n ASP 87 N 4.60 3.31 0.07 3.68 9.92 -1.26 -0.98 116.55 135.89 1xpn n ASP 87 Ca -0.18 1.16 0.20 0.00 -0.53 0.00 0.00 54.79 55.44 1xpn n ASP 87 Cb 0.50 -1.58 0.74 0.00 -0.64 0.00 0.00 41.12 40.14 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 2.49 2.23 -0.00 2.24 0.00 -1.53 0.39 119.26 125.08 1xpn h ALA 88 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1xpn h ALA 88 Cb 1.27 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1xpn h ALA 88 CO 0.62 -0.59 -0.01 0.00 0.00 0.00 0.00 179.25 179.27 1xpn n ALA 89 N -2.47 2.38 1.00 0.00 0.00 -1.26 -3.01 120.51 117.15 1xpn n ALA 89 Ca 0.07 -0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.51 1xpn n ALA 89 Cb 0.56 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.46 1.18 -2.08 0.00 5.02 0.14 -4.93 118.16 116.01 1xpn n LYS 90 Ca 0.08 -0.97 -0.43 0.00 -2.02 0.00 0.00 58.31 54.97 1xpn n LYS 90 Cb 0.32 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.83 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 -2.49 3.75 -0.18 1.97 3.52 -1.16 -4.98 118.95 119.38 1xpn s ARG 91 Ca 0.18 1.67 -0.02 0.00 -0.13 0.00 0.00 55.73 57.43 1xpn s ARG 91 Cb 0.18 -4.06 -0.01 0.00 -1.56 0.00 0.00 34.95 29.50 1xpn s ARG 91 CO 0.58 -1.35 -0.08 0.34 -0.81 0.00 0.00 175.30 173.98 1xpn s ASP 92 N 4.47 4.19 0.00 -2.12 2.15 -1.26 -4.99 116.67 119.11 1xpn s ASP 92 Ca 0.73 -0.36 0.26 0.00 0.43 0.00 0.00 52.55 53.61 1xpn s ASP 92 Cb -0.25 -1.69 1.30 0.00 -0.30 0.00 0.00 42.92 41.98 1xpn s ASP 92 CO 0.30 0.06 1.86 -2.65 -0.17 0.00 0.00 175.17 174.58 1xpn n PRO 93 N 4.22 0.38 -0.00 4.34 -0.02 -1.26 -3.13 135.00 139.53 1xpn n PRO 93 Ca -0.18 0.04 -0.10 0.00 -2.02 0.00 0.00 63.50 61.24 1xpn n PRO 93 Cb 0.52 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.36 1xpn n PRO 93 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1xpn h ASP 94 N 0.00 0.06 -0.44 2.55 3.58 -2.01 -3.40 116.42 116.76 1xpn h ASP 94 Ca 0.00 -0.11 -0.63 0.00 0.42 0.00 0.00 57.03 56.71 1xpn h ASP 94 Cb 0.23 -0.02 -0.05 0.00 1.72 0.00 0.00 39.33 41.21 1xpn h ASP 94 CO 0.00 1.09 2.31 0.52 -2.88 0.00 0.00 179.24 180.28 1xpn n VAL 95 N -3.15 3.22 -1.68 2.25 0.31 -1.18 -4.95 118.33 113.14 1xpn n VAL 95 Ca -0.15 -3.15 -0.44 0.00 -0.01 0.00 0.00 64.34 60.59 1xpn n VAL 95 Cb 1.03 -2.39 -0.02 0.00 -0.91 0.00 0.00 33.84 31.55 1xpn n VAL 95 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xpn n GLN 96 N 7.54 2.12 -3.43 5.55 6.02 -1.26 -4.96 117.38 128.95 1xpn n GLN 96 Ca 0.49 0.75 -0.38 0.00 -0.01 0.00 0.00 57.00 57.86 1xpn n GLN 96 Cb 0.43 -2.41 -0.07 0.00 1.02 0.00 0.00 30.24 29.21 1xpn n GLN 96 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1xpn s PRO 97 N -0.70 4.20 0.52 -1.09 0.04 -1.26 -4.90 135.00 131.82 1xpn s PRO 97 Ca 0.65 0.16 -0.19 0.00 0.04 0.00 0.00 61.00 61.67 1xpn s PRO 97 Cb -0.62 -3.51 -0.07 0.00 0.04 0.00 0.00 34.50 30.35 1xpn s PRO 97 CO 0.52 0.04 1.06 -2.14 0.04 0.00 0.00 177.00 176.52 1xpn s PRO 98 N 1.06 3.60 -0.04 0.56 0.02 -1.26 -5.00 135.00 133.94 1xpn s PRO 98 Ca 0.18 1.37 -0.30 0.00 0.02 0.00 0.00 61.00 62.27 1xpn s PRO 98 Cb -0.14 -2.06 -0.03 0.00 0.02 0.00 0.00 34.50 32.28 1xpn s PRO 98 CO 0.07 -0.60 1.14 0.54 -0.33 0.00 0.00 177.00 177.81 1xpn s VAL 99 N -2.05 4.39 0.58 3.83 0.11 -1.26 -5.03 120.40 120.97 1xpn s VAL 99 Ca 0.67 1.70 0.08 0.00 -2.93 0.00 0.00 61.98 61.51 1xpn s VAL 99 Cb -0.18 -4.09 0.07 0.00 -1.53 0.00 0.00 36.38 30.65 1xpn s VAL 99 CO 0.25 0.04 0.63 -0.76 -3.33 0.00 0.00 175.10 171.94 1xpn s LEU 100 N 1.82 2.86 0.25 2.54 1.43 -1.26 -5.06 118.68 121.25 1xpn s LEU 100 Ca 0.54 -1.07 -0.30 0.00 -1.03 0.00 0.00 54.13 52.27 1xpn s LEU 100 Cb -0.24 -1.34 -0.14 0.00 0.03 0.00 0.00 46.19 44.50 1xpn s LEU 100 CO 0.23 -1.29 1.22 -0.67 0.23 0.00 0.00 176.35 176.07 1xpn n ASP 101 N -2.07 2.01 0.15 2.29 2.03 -1.26 -4.92 116.55 114.78 1xpn n ASP 101 Ca 0.08 1.16 0.03 0.00 0.52 0.00 0.00 54.79 56.58 1xpn n ASP 101 Cb 0.63 -1.34 0.08 0.00 -0.72 0.00 0.00 41.12 39.76 1xpn n ASP 101 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1xpn h PRO 102 N 3.19 0.00 0.00 -0.67 0.13 -2.03 -3.28 132.00 129.35 1xpn h PRO 102 Ca -0.43 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.68 1xpn h PRO 102 Cb 1.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 1xpn h PRO 102 CO 0.68 0.50 -0.09 0.00 -0.23 0.00 0.00 178.00 178.86 1xpn h ARG 103 N 0.00 0.00 -0.75 0.86 3.08 -2.01 -1.68 114.38 113.87 1xpn h ARG 103 Ca -0.00 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.22 1xpn h ARG 103 Cb 1.31 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.24 1xpn h ARG 103 CO 0.06 0.09 0.13 0.00 -1.07 0.00 0.00 179.97 179.19 1xpn h ARG 104 N 0.00 0.20 0.00 0.04 3.08 -1.96 0.81 114.38 116.55 1xpn h ARG 104 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1xpn h ARG 104 Cb 0.58 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1xpn h ARG 104 CO 0.01 0.13 0.00 0.00 -1.07 0.00 0.00 179.97 179.04 1xpn n ALA 105 N -2.75 1.93 -0.03 0.04 0.00 -0.63 0.26 120.51 119.32 1xpn n ALA 105 Ca 0.15 -0.08 -0.15 0.00 0.00 0.00 0.00 53.44 53.35 1xpn n ALA 105 Cb 0.49 -1.27 -0.14 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.28 1.64 0.00 0.00 -1.04 0.24 -4.40 114.28 109.44 1xpn n THR 106 Ca 0.08 -0.71 -0.13 0.00 -2.04 0.00 0.00 64.05 61.24 1xpn n THR 106 Cb 0.13 -1.32 -0.14 0.00 -1.82 0.00 0.00 70.33 67.18 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 0.03 0.20 -3.19 -1.42 0.05 -0.86 -3.44 116.97 108.34 1xpn h TYR 107 Ca -0.41 -0.15 -0.56 0.00 0.05 0.00 0.00 58.73 57.66 1xpn h TYR 107 Cb 2.03 -0.01 -0.06 0.00 1.01 0.00 0.00 36.73 39.71 1xpn h TYR 107 CO 0.04 1.27 1.05 0.08 -1.05 0.00 0.00 178.16 179.54 1xpn s VAL 108 N -2.60 3.93 0.08 -2.88 1.01 0.14 -4.88 120.40 115.20 1xpn s VAL 108 Ca -0.10 0.88 -0.31 0.00 0.00 0.00 0.00 61.98 62.46 1xpn s VAL 108 Cb 0.08 -4.42 -0.06 0.00 0.00 0.00 0.00 36.38 31.98 1xpn s VAL 108 CO 0.81 -1.02 1.21 -0.13 0.00 0.00 0.00 175.10 175.98 1xpn s ARG 109 N 5.06 4.44 -0.35 2.72 0.52 -1.13 -4.75 118.95 125.45 1xpn s ARG 109 Ca 0.54 1.79 -0.12 0.00 -0.52 0.00 0.00 55.73 57.42 1xpn s ARG 109 Cb -0.11 -3.33 0.00 0.00 0.52 0.00 0.00 34.95 32.04 1xpn s ARG 109 CO 0.29 -0.24 0.22 -1.21 0.02 0.00 0.00 175.30 174.38 1xpn s GLU 110 N 0.91 3.20 -0.14 3.54 2.02 -1.26 -0.99 118.70 125.97 1xpn s GLU 110 Ca 0.58 -0.84 -0.00 0.00 0.02 0.00 0.00 54.97 54.73 1xpn s GLU 110 Cb -0.30 -3.76 -0.01 0.00 0.10 0.00 0.00 34.13 30.16 1xpn s GLU 110 CO 0.30 -0.56 -0.14 0.00 0.02 0.00 0.00 175.26 174.88 1xpn s ALA 111 N 1.65 2.56 -0.22 5.21 0.00 0.87 -4.91 121.76 126.91 1xpn s ALA 111 Ca 0.05 -0.98 -0.23 0.00 0.00 0.00 0.00 51.96 50.80 1xpn s ALA 111 Cb -0.18 -1.23 -0.01 0.00 0.00 0.00 0.00 23.12 21.70 1xpn s ALA 111 CO 0.08 0.09 0.74 0.99 0.00 0.00 0.00 175.76 177.66 1xpn s THR 112 N 0.62 4.92 0.35 0.00 2.01 -1.26 -0.05 115.64 122.23 1xpn s THR 112 Ca -0.08 1.39 -0.28 0.00 0.31 0.00 0.00 61.69 63.04 1xpn s THR 112 Cb -0.16 -4.04 -0.10 0.00 0.01 0.00 0.00 72.50 68.22 1xpn s THR 112 CO 0.03 0.01 1.25 0.42 -0.69 0.00 0.00 174.62 175.64 1xpn s THR 113 N 2.46 2.87 0.00 -0.82 -4.23 -0.58 -4.88 115.64 110.45 1xpn s THR 113 Ca 0.32 0.83 0.00 0.00 -1.18 0.00 0.00 61.69 61.66 1xpn s THR 113 Cb -0.16 -3.51 0.00 0.00 1.34 0.00 0.00 72.50 70.17 1xpn s THR 113 CO 0.09 0.16 0.00 -0.67 -0.54 0.00 0.00 174.62 173.66 1xpn n ASP 114 N 0.59 -0.25 0.17 3.99 -0.08 -0.16 -2.14 116.55 118.66 1xpn n ASP 114 Ca 0.01 -0.60 0.03 0.00 -1.51 0.00 0.00 54.79 52.73 1xpn n ASP 114 Cb 0.43 0.00 0.30 0.00 2.34 0.00 0.00 41.12 44.20 1xpn n ASP 114 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1xpn h GLN 115 N 0.00 0.00 -0.15 -0.67 4.15 -1.89 -2.39 115.11 114.16 1xpn h GLN 115 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1xpn h GLN 115 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1xpn h GLN 115 CO 0.00 0.44 0.00 0.09 -1.93 0.00 0.00 178.83 177.43 1xpn n ASN 116 N -3.69 1.65 -1.90 -0.69 4.13 -1.26 -4.89 115.26 108.62 1xpn n ASN 116 Ca -0.01 -1.69 -0.06 0.00 1.68 0.00 0.00 54.58 54.51 1xpn n ASN 116 Cb 0.52 -0.09 0.03 0.00 -1.54 0.00 0.00 39.78 38.69 1xpn n ASN 116 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xpn n GLY 117 N 1.14 0.17 3.15 7.41 0.00 -0.90 -4.85 105.19 111.31 1xpn n GLY 117 Ca 0.16 -0.22 -0.19 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.28 0.86 -0.02 1.61 3.52 -1.26 0.07 118.95 119.46 1xpn s ARG 118 Ca 0.03 -0.85 0.04 0.00 -0.13 0.00 0.00 55.73 54.83 1xpn s ARG 118 Cb -0.00 -0.87 -0.01 0.00 -1.56 0.00 0.00 34.95 32.51 1xpn s ARG 118 CO 0.26 0.20 -0.14 -0.59 -0.81 0.00 0.00 175.30 174.22 1xpn s PHE 119 N -1.06 1.28 -0.17 5.12 -0.71 -0.95 -0.99 117.98 120.50 1xpn s PHE 119 Ca -0.00 -0.26 -0.03 0.00 -1.04 0.00 0.00 56.93 55.60 1xpn s PHE 119 Cb -0.09 -0.84 -0.02 0.00 -1.21 0.00 0.00 43.02 40.87 1xpn s PHE 119 CO 0.02 -0.04 -0.06 -0.51 -1.34 0.00 0.00 175.22 173.28 1xpn s ASP 120 N -0.25 4.40 -0.02 1.98 1.11 -1.26 -2.54 116.67 120.08 1xpn s ASP 120 Ca 0.04 -0.28 0.05 0.00 0.18 0.00 0.00 52.55 52.54 1xpn s ASP 120 Cb -0.06 -1.72 -0.01 0.00 1.07 0.00 0.00 42.92 42.20 1xpn s ASP 120 CO -0.00 0.10 -0.18 -0.36 1.18 0.00 0.00 175.17 175.90 1xpn s PHE 121 N 0.78 1.66 0.15 4.23 0.08 -0.12 -5.03 117.98 119.73 1xpn s PHE 121 Ca -0.02 -0.36 -0.01 0.00 0.12 0.00 0.00 56.93 56.66 1xpn s PHE 121 Cb -0.15 -1.08 -0.04 0.00 -0.57 0.00 0.00 43.02 41.18 1xpn s PHE 121 CO 0.02 -0.07 0.06 0.16 -0.10 0.00 0.00 175.22 175.28 1xpn s ASP 122 N -0.29 0.45 -1.48 1.36 -4.77 -1.26 -1.58 116.67 109.11 1xpn s ASP 122 Ca 0.04 -1.23 -0.07 0.00 -3.30 0.00 0.00 52.55 47.99 1xpn s ASP 122 Cb -0.08 0.28 0.01 0.00 -1.09 0.00 0.00 42.92 42.04 1xpn s ASP 122 CO 0.00 -0.72 0.85 1.41 0.70 0.00 0.00 175.17 177.41 1xpn n HIS 123 N -0.15 -2.34 -2.91 2.11 8.25 -1.08 -4.91 115.22 114.19 1xpn n HIS 123 Ca -0.05 0.73 -0.41 0.00 -0.26 0.00 0.00 57.72 57.73 1xpn n HIS 123 Cb 0.64 -4.65 -0.04 0.00 1.12 0.00 0.00 29.99 27.06 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 -3.23 4.87 0.98 1.59 -1.09 -0.75 -4.41 121.20 119.16 1xpn s ILE 124 Ca 0.44 1.57 -0.12 0.00 -2.23 0.00 0.00 60.65 60.30 1xpn s ILE 124 Cb -0.20 -4.11 0.18 0.00 -1.58 0.00 0.00 42.46 36.75 1xpn s ILE 124 CO 0.54 -0.02 1.10 -2.84 -1.23 0.00 0.00 174.94 172.49 1xpn s PRO 125 N 2.47 0.55 -0.30 2.79 0.02 -1.26 -0.81 135.00 138.47 1xpn s PRO 125 Ca 0.36 0.54 -0.29 0.00 0.02 0.00 0.00 61.00 61.63 1xpn s PRO 125 Cb -0.16 -1.75 0.01 0.00 0.02 0.00 0.00 34.50 32.62 1xpn s PRO 125 CO 0.10 -2.66 1.11 1.21 -0.33 0.00 0.00 177.00 176.43 1xpn s ASN 126 N -3.48 6.92 0.00 2.53 2.47 -1.26 -4.83 114.94 117.30 1xpn s ASN 126 Ca 0.65 1.16 0.00 0.00 0.42 0.00 0.00 52.86 55.09 1xpn s ASN 126 Cb -0.18 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.07 1xpn s ASN 126 CO 0.57 -0.87 0.00 0.61 -3.72 0.00 0.00 177.10 173.69 1xpn n GLY 127 N 3.83 -1.47 3.47 1.21 0.00 -0.87 -5.03 105.19 106.33 1xpn n GLY 127 Ca 0.12 -1.14 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 1xpn n GLY 127 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xpn s THR 128 N -2.90 3.11 0.19 2.61 -1.32 -1.26 -0.14 115.64 115.93 1xpn s THR 128 Ca 0.00 -0.70 0.03 0.00 -1.21 0.00 0.00 61.69 59.81 1xpn s THR 128 Cb 0.00 -2.23 -0.05 0.00 -1.51 0.00 0.00 72.50 68.71 1xpn s THR 128 CO 0.00 0.58 -0.02 -0.31 -2.21 0.00 0.00 174.62 172.66 1xpn s TYR 129 N -0.60 1.35 -0.16 9.09 1.51 0.13 -2.00 117.35 126.67 1xpn s TYR 129 Ca 0.09 -0.94 -0.02 0.00 -1.01 0.00 0.00 57.07 55.19 1xpn s TYR 129 Cb -0.11 -0.76 -0.01 0.00 -0.11 0.00 0.00 41.96 40.96 1xpn s TYR 129 CO 0.01 -0.09 -0.10 0.71 -1.11 0.00 0.00 175.55 174.97 1xpn s TYR 130 N -3.51 2.88 -0.51 2.71 2.02 0.13 -0.75 117.35 120.32 1xpn s TYR 130 Ca 0.24 -0.76 -0.19 0.00 -0.37 0.00 0.00 57.07 55.99 1xpn s TYR 130 Cb 0.05 -1.94 0.06 0.00 -0.40 0.00 0.00 41.96 39.73 1xpn s TYR 130 CO 0.05 -0.33 0.64 0.42 -1.57 0.00 0.00 175.55 174.75 1xpn s ILE 131 N 0.77 4.86 -0.16 2.71 1.01 0.44 -1.08 121.20 129.75 1xpn s ILE 131 Ca -0.04 -0.53 -0.04 0.00 0.00 0.00 0.00 60.65 60.04 1xpn s ILE 131 Cb -0.15 -4.32 -0.03 0.00 0.01 0.00 0.00 42.46 37.97 1xpn s ILE 131 CO 0.01 -0.84 -0.02 -0.94 0.00 0.00 0.00 174.94 173.15 1xpn s SER 132 N 2.78 4.93 -0.07 3.58 1.04 0.26 -0.89 113.70 125.33 1xpn s SER 132 Ca 0.15 -0.09 -0.17 0.00 0.48 0.00 0.00 55.95 56.32 1xpn s SER 132 Cb -0.20 -1.81 0.04 0.00 0.10 0.00 0.00 66.02 64.15 1xpn s SER 132 CO 0.11 0.17 0.39 -0.94 0.98 0.00 0.00 173.24 173.96 1xpn s SER 133 N 0.34 -0.34 -0.47 7.02 1.04 -0.73 -0.42 113.70 120.15 1xpn s SER 133 Ca -0.03 0.43 -0.14 0.00 0.48 0.00 0.00 55.95 56.69 1xpn s SER 133 Cb -0.14 0.53 0.09 0.00 0.10 0.00 0.00 66.02 66.60 1xpn s SER 133 CO 0.03 -0.36 0.38 -1.61 0.98 0.00 0.00 173.24 172.65 1xpn s GLU 134 N -0.77 2.86 -0.25 4.02 2.02 -1.25 -1.35 118.70 123.98 1xpn s GLU 134 Ca -0.09 -1.47 0.03 0.00 0.02 0.00 0.00 54.97 53.46 1xpn s GLU 134 Cb -0.04 -4.07 0.06 0.00 0.10 0.00 0.00 34.13 30.18 1xpn s GLU 134 CO 0.04 -1.08 -0.12 -1.17 0.02 0.00 0.00 175.26 172.95 1xpn s LEU 135 N 1.56 3.29 -0.03 1.80 2.96 -0.97 -4.68 118.68 122.61 1xpn s LEU 135 Ca 0.04 -1.32 -0.01 0.00 -0.22 0.00 0.00 54.13 52.62 1xpn s LEU 135 Cb -0.25 -1.53 0.03 0.00 0.50 0.00 0.00 46.19 44.94 1xpn s LEU 135 CO 0.04 -0.17 0.06 0.42 -1.32 0.00 0.00 176.35 175.39 1xpn s THR 136 N 1.13 -0.05 0.02 3.68 -4.23 -1.26 -1.33 115.64 113.60 1xpn s THR 136 Ca -0.07 0.19 -0.00 0.00 -1.18 0.00 0.00 61.69 60.63 1xpn s THR 136 Cb -0.19 -0.12 -0.02 0.00 1.34 0.00 0.00 72.50 73.50 1xpn s THR 136 CO -0.06 0.08 -0.03 -1.66 -0.54 0.00 0.00 174.62 172.41 1xpn s TRP 137 N 1.04 0.30 -0.16 3.99 -2.14 -0.10 -4.99 118.94 116.88 1xpn s TRP 137 Ca -0.08 -0.61 -0.16 0.00 2.66 0.00 0.00 56.10 57.91 1xpn s TRP 137 Cb -0.12 -0.22 -0.04 0.00 -3.10 0.00 0.00 33.47 29.99 1xpn s TRP 137 CO -0.04 -0.22 0.37 -1.54 -2.66 0.00 0.00 176.95 172.86 1xpn s SER 138 N -1.69 6.50 0.20 -2.66 1.04 -1.26 0.00 113.70 115.83 1xpn s SER 138 Ca -0.12 0.59 0.07 0.00 0.48 0.00 0.00 55.95 56.97 1xpn s SER 138 Cb -0.07 -2.22 -0.05 0.00 0.10 0.00 0.00 66.02 63.78 1xpn s SER 138 CO -0.02 0.02 -0.14 0.00 0.98 0.00 0.00 173.24 174.08 1xpn s ALA 139 N 0.75 1.96 -0.31 5.32 0.00 -0.00 -4.95 121.76 124.53 1xpn s ALA 139 Ca 0.20 -1.63 -0.07 0.00 0.00 0.00 0.00 51.96 50.46 1xpn s ALA 139 Cb -0.14 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 22.91 1xpn s ALA 139 CO 0.07 0.07 0.10 -0.65 0.00 0.00 0.00 175.76 175.34 1xpn s GLN 140 N -3.57 3.01 0.00 0.00 -0.21 -1.26 0.46 119.66 118.09 1xpn s GLN 140 Ca 0.21 -0.92 0.00 0.00 0.02 0.00 0.00 55.36 54.68 1xpn s GLN 140 Cb -0.01 -3.43 0.00 0.00 1.00 0.00 0.00 33.01 30.57 1xpn s GLN 140 CO 0.06 -0.50 0.00 0.45 -2.12 0.00 0.00 175.29 173.19 1xpn n SER 141 N 4.88 0.00 -3.15 5.90 2.88 -0.36 -4.81 113.62 118.96 1xpn n SER 141 Ca -0.14 0.12 -0.24 0.00 -1.33 0.00 0.00 58.87 57.28 1xpn n SER 141 Cb 0.47 -0.20 -0.05 0.00 -0.75 0.00 0.00 64.21 63.68 1xpn n SER 141 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1xpn n ASP 142 N -1.40 2.73 0.00 -3.46 9.92 -1.26 -4.80 116.55 118.28 1xpn n ASP 142 Ca 0.00 -3.31 0.00 0.00 -0.53 0.00 0.00 54.79 50.95 1xpn n ASP 142 Cb 0.00 -0.61 0.00 0.00 -0.64 0.00 0.00 41.12 39.87 1xpn n ASP 142 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xpn n GLY 143 N 0.39 2.20 3.58 0.44 0.00 -1.26 -4.97 105.19 105.57 1xpn n GLY 143 Ca 0.28 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.96 1xpn n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xpn s LYS 144 N -0.03 3.85 -0.43 1.61 1.02 -1.26 -5.07 119.74 119.43 1xpn s LYS 144 Ca 0.00 -0.41 -0.26 0.00 0.02 0.00 0.00 55.97 55.32 1xpn s LYS 144 Cb 0.00 -3.09 0.02 0.00 -0.52 0.00 0.00 37.83 34.25 1xpn s LYS 144 CO 0.00 0.27 0.95 0.99 -0.92 0.00 0.00 175.35 176.64 1xpn s THR 145 N 0.34 4.47 0.14 2.17 2.01 -1.26 -1.22 115.64 122.29 1xpn s THR 145 Ca 0.00 0.95 0.01 0.00 0.31 0.00 0.00 61.69 62.96 1xpn s THR 145 Cb -0.13 -4.42 -0.04 0.00 0.01 0.00 0.00 72.50 67.92 1xpn s THR 145 CO 0.01 -0.76 0.30 0.27 -0.69 0.00 0.00 174.62 173.75 1xpn s ILE 146 N 3.76 5.30 -0.55 1.82 -4.36 0.17 -4.89 121.20 122.45 1xpn s ILE 146 Ca 0.39 -0.50 -0.16 0.00 -0.26 0.00 0.00 60.65 60.11 1xpn s ILE 146 Cb -0.10 -3.71 0.13 0.00 1.25 0.00 0.00 42.46 40.02 1xpn s ILE 146 CO 0.25 -0.06 0.53 -0.89 0.24 0.00 0.00 174.94 175.01 1xpn s THR 147 N -1.72 5.16 -0.51 8.37 2.01 -1.26 -0.82 115.64 126.87 1xpn s THR 147 Ca 0.36 -1.44 -0.28 0.00 0.31 0.00 0.00 61.69 60.64 1xpn s THR 147 Cb -0.11 -4.36 0.03 0.00 0.01 0.00 0.00 72.50 68.06 1xpn s THR 147 CO 0.28 -0.91 1.10 -1.61 -0.69 0.00 0.00 174.62 172.80 1xpn s GLU 148 N 1.73 3.59 0.00 4.92 0.41 0.10 -4.71 118.70 124.74 1xpn s GLU 148 Ca 0.04 0.33 0.00 0.00 -0.41 0.00 0.00 54.97 54.93 1xpn s GLU 148 Cb -0.29 -3.96 0.00 0.00 -1.78 0.00 0.00 34.13 28.10 1xpn s GLU 148 CO 0.03 -1.45 0.00 0.41 -0.49 0.00 0.00 175.26 173.76 1xpn n GLY 149 N 4.95 0.79 0.00 -1.39 0.00 -1.26 -0.93 105.19 107.36 1xpn n GLY 149 Ca 0.09 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.47 3.55 -0.02 0.00 -0.44 -1.42 105.19 106.39 1xpn n GLY 150 Ca 0.00 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 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 -3.20 4.84 -0.16 2.61 -4.23 -0.15 -2.29 115.64 113.06 1xpn s THR 151 Ca 0.00 0.39 -0.07 0.00 -1.18 0.00 0.00 61.69 60.83 1xpn s THR 151 Cb 0.00 -4.15 -0.04 0.00 1.34 0.00 0.00 72.50 69.65 1xpn s THR 151 CO 0.00 -0.46 0.07 0.54 -0.54 0.00 0.00 174.62 174.23 1xpn s VAL 152 N 2.81 4.91 -0.21 2.29 0.11 -0.46 -2.15 120.40 127.70 1xpn s VAL 152 Ca 0.24 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.31 1xpn s VAL 152 Cb -0.14 -3.18 0.03 0.00 -1.53 0.00 0.00 36.38 31.56 1xpn s VAL 152 CO 0.17 0.50 -0.16 0.42 -3.33 0.00 0.00 175.10 172.70 1xpn s THR 153 N -0.03 2.05 -0.22 5.04 -4.23 -1.24 -1.77 115.64 115.24 1xpn s THR 153 Ca 0.07 -1.16 -0.05 0.00 -1.18 0.00 0.00 61.69 59.37 1xpn s THR 153 Cb -0.12 -1.97 -0.02 0.00 1.34 0.00 0.00 72.50 71.73 1xpn s THR 153 CO 0.01 0.33 -0.01 -0.75 -0.54 0.00 0.00 174.62 173.66 1xpn s LYS 154 N 1.24 3.51 -0.41 3.99 2.47 -0.07 -4.89 119.74 125.59 1xpn s LYS 154 Ca 0.00 -0.56 -0.29 0.00 -1.56 0.00 0.00 55.97 53.56 1xpn s LYS 154 Cb -0.15 -3.10 0.02 0.00 -1.46 0.00 0.00 37.83 33.14 1xpn s LYS 154 CO -0.10 -0.14 1.10 -1.17 0.16 0.00 0.00 175.35 175.20 1xpn s LEU 155 N 1.37 3.78 -0.14 5.43 2.96 -1.26 -0.42 118.68 130.40 1xpn s LEU 155 Ca 0.05 0.71 0.02 0.00 -0.22 0.00 0.00 54.13 54.69 1xpn s LEU 155 Cb -0.15 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.03 1xpn s LEU 155 CO -0.00 -1.08 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.06 1xpn s VAL 156 N 4.07 1.94 -0.25 1.68 1.01 0.07 -4.98 120.40 123.94 1xpn s VAL 156 Ca 0.46 -0.90 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 1xpn s VAL 156 Cb -0.09 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 1xpn s VAL 156 CO 0.24 0.53 0.05 -0.89 0.00 0.00 0.00 175.10 175.02 1xpn s THR 157 N 0.96 4.08 -0.24 3.92 2.01 -1.26 0.22 115.64 125.32 1xpn s THR 157 Ca -0.04 -0.29 -0.13 0.00 0.31 0.00 0.00 61.69 61.54 1xpn s THR 157 Cb -0.15 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 1xpn s THR 157 CO -0.04 0.33 0.29 -0.69 -0.69 0.00 0.00 174.62 173.82 1xpn s VAL 158 N 1.58 5.26 -2.52 3.82 1.01 0.80 -4.96 120.40 125.39 1xpn s VAL 158 Ca 0.06 0.43 0.23 0.00 0.00 0.00 0.00 61.98 62.70 1xpn s VAL 158 Cb -0.15 -3.62 0.40 0.00 0.00 0.00 0.00 36.38 33.01 1xpn s VAL 158 CO 0.02 0.26 1.42 -0.24 0.00 0.00 0.00 175.10 176.56 1xpn n SER 159 N 4.72 2.98 0.00 3.32 2.88 -1.26 -2.05 113.62 124.21 1xpn n SER 159 Ca -0.11 -1.93 0.00 0.00 -1.33 0.00 0.00 58.87 55.50 1xpn n SER 159 Cb 0.51 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 1xpn n SER 159 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xpn n GLY 160 N 1.40 -0.49 0.80 0.46 0.00 -1.26 -4.92 105.19 101.18 1xpn n GLY 160 Ca 0.18 -0.78 0.07 0.00 0.00 0.00 0.00 46.02 45.49 1xpn n GLY 160 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xpn n SER 161 N 0.00 2.31 -4.74 1.61 7.64 -1.26 -3.90 113.62 115.27 1xpn n SER 161 Ca 0.00 -1.99 -0.40 0.00 1.01 0.00 0.00 58.87 57.49 1xpn n SER 161 Cb 0.00 -0.28 -0.05 0.00 -1.01 0.00 0.00 64.21 62.87 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 -1.44 4.76 0.05 1.43 1.11 -1.26 -4.31 119.66 120.00 1xpn s GLN 162 Ca 0.29 1.54 -0.30 0.00 0.01 0.00 0.00 55.36 56.90 1xpn s GLN 162 Cb 0.15 -3.30 -0.08 0.00 -1.01 0.00 0.00 33.01 28.78 1xpn s GLN 162 CO 0.20 0.35 1.66 -2.14 0.01 0.00 0.00 175.29 175.37 1xpn s PRO 163 N -0.79 4.19 -0.20 2.91 0.02 -1.26 -4.15 135.00 135.73 1xpn s PRO 163 Ca 0.44 2.32 -0.01 0.00 0.02 0.00 0.00 61.00 63.77 1xpn s PRO 163 Cb -0.26 -3.67 0.01 0.00 0.02 0.00 0.00 34.50 30.59 1xpn s PRO 163 CO 0.33 -0.75 -0.13 -1.14 -0.33 0.00 0.00 177.00 174.97 1xpn s GLN 164 N 2.88 3.15 -0.26 5.54 0.74 0.01 -5.00 119.66 126.73 1xpn s GLN 164 Ca 0.74 -0.74 -0.18 0.00 0.05 0.00 0.00 55.36 55.23 1xpn s GLN 164 Cb -0.39 -2.75 -0.03 0.00 1.10 0.00 0.00 33.01 30.94 1xpn s GLN 164 CO 0.32 -0.20 0.51 0.21 -0.55 0.00 0.00 175.29 175.58 1xpn s LYS 165 N 1.35 4.08 -0.11 1.67 2.20 -1.26 -1.57 119.74 126.11 1xpn s LYS 165 Ca 0.05 0.32 0.03 0.00 -0.36 0.00 0.00 55.97 56.00 1xpn s LYS 165 Cb -0.14 -3.64 -0.01 0.00 -1.51 0.00 0.00 37.83 32.54 1xpn s LYS 165 CO -0.09 -0.33 -0.20 0.08 -0.36 0.00 0.00 175.35 174.45 1xpn s VAL 166 N 2.23 2.40 -0.42 4.02 1.01 -0.62 -4.98 120.40 124.05 1xpn s VAL 166 Ca 0.21 -0.90 -0.24 0.00 0.00 0.00 0.00 61.98 61.05 1xpn s VAL 166 Cb -0.16 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.29 1xpn s VAL 166 CO 0.09 0.55 0.86 -0.76 0.00 0.00 0.00 175.10 175.84 1xpn s LEU 167 N 0.30 4.09 -1.00 3.92 1.43 -1.26 -1.87 118.68 124.29 1xpn s LEU 167 Ca -0.15 0.20 -0.22 0.00 -1.03 0.00 0.00 54.13 52.93 1xpn s LEU 167 Cb -0.17 -3.11 0.07 0.00 0.03 0.00 0.00 46.19 43.01 1xpn s LEU 167 CO 0.08 -0.90 1.38 -0.22 0.23 0.00 0.00 176.35 176.91 1xpn s LEU 168 N 3.43 3.85 0.00 1.79 2.96 0.11 -4.86 118.68 125.96 1xpn s LEU 168 Ca 0.34 -1.58 0.00 0.00 -0.22 0.00 0.00 54.13 52.68 1xpn s LEU 168 Cb -0.12 -2.53 0.00 0.00 0.50 0.00 0.00 46.19 44.04 1xpn s LEU 168 CO 0.22 -1.41 0.37 1.07 -1.32 0.00 0.00 176.35 175.28 1xpn n THR 169 N 6.57 0.00 1.49 3.68 5.66 -1.26 -1.95 114.28 128.47 1xpn n THR 169 Ca 0.31 -1.61 0.14 0.00 -3.05 0.00 0.00 64.05 59.83 1xpn n THR 169 Cb 0.51 0.94 0.52 0.00 -1.55 0.00 0.00 70.33 70.75 1xpn n THR 169 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91