#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 -0.39 0.00 1.61 1.04 -1.26 -4.98 113.70 109.72 1xpn s SER 2 Ca 0.00 0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.75 1xpn s SER 2 Cb 0.00 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1xpn s SER 2 CO 0.00 -0.54 0.00 -1.20 0.98 0.00 0.00 173.24 172.48 1xpn n SER 3 N 1.01 0.00 -4.72 7.02 7.64 -1.26 -4.81 113.62 118.51 1xpn n SER 3 Ca -0.20 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.28 1xpn n SER 3 Cb 0.57 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.73 1xpn n SER 3 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1xpn s HIS 4 N 0.00 3.62 -0.11 1.43 0.09 -1.26 -5.03 115.29 114.03 1xpn s HIS 4 Ca 0.00 1.36 -0.30 0.00 -0.00 0.00 0.00 55.06 56.13 1xpn s HIS 4 Cb 0.00 -2.86 0.08 0.00 -0.00 0.00 0.00 32.58 29.80 1xpn s HIS 4 CO 0.00 0.10 0.75 -3.38 -0.00 0.00 0.00 174.74 172.21 1xpn s HIS 5 N 0.71 -0.63 -0.34 1.40 0.00 -1.26 -4.85 115.29 110.32 1xpn s HIS 5 Ca 0.40 1.17 0.16 0.00 -3.00 0.00 0.00 55.06 53.79 1xpn s HIS 5 Cb -0.19 0.39 0.43 0.00 -4.00 0.00 0.00 32.58 29.22 1xpn s HIS 5 CO 0.21 -0.52 1.01 0.72 -1.00 0.00 0.00 174.74 175.15 1xpn n HIS 6 N 1.20 0.32 -1.68 0.38 -0.00 -1.26 -5.04 115.22 109.13 1xpn n HIS 6 Ca -0.17 -2.71 -0.38 0.00 -0.00 0.00 0.00 57.72 54.46 1xpn n HIS 6 Cb 0.57 0.02 -0.04 0.00 -0.00 0.00 0.00 29.99 30.53 1xpn n HIS 6 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1xpn n HIS 7 N -0.12 2.69 -1.59 4.41 -0.00 -1.26 -3.90 115.22 115.46 1xpn n HIS 7 Ca 0.08 -1.97 0.00 0.00 -0.00 0.00 0.00 57.72 55.83 1xpn n HIS 7 Cb 0.81 -2.22 0.00 0.00 -0.00 0.00 0.00 29.99 28.58 1xpn n HIS 7 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1xpn n HIS 8 N 9.59 0.00 0.03 1.57 -0.00 -1.26 -4.86 115.22 120.29 1xpn n HIS 8 Ca 0.48 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 58.31 1xpn n HIS 8 Cb 0.43 0.01 -0.16 0.00 -0.00 0.00 0.00 29.99 30.27 1xpn n HIS 8 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1xpn n HIS 9 N 0.00 0.03 -2.69 4.41 -0.00 -1.25 -4.54 115.22 111.17 1xpn n HIS 9 Ca 0.00 0.01 -0.43 0.00 -0.00 0.00 0.00 57.72 57.30 1xpn n HIS 9 Cb 0.58 -0.50 -0.00 0.00 -0.00 0.00 0.00 29.99 30.07 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 -4.50 6.91 -0.15 0.41 0.01 -1.26 -4.60 113.70 110.52 1xpn s SER 10 Ca -0.07 -2.61 -0.09 0.00 1.31 0.00 0.00 55.95 54.49 1xpn s SER 10 Cb 0.14 -2.52 0.03 0.00 0.21 0.00 0.00 66.02 63.88 1xpn s SER 10 CO 0.90 -1.04 0.17 -1.20 0.41 0.00 0.00 173.24 172.49 1xpn n SER 11 N 7.56 -1.32 -3.09 2.44 7.64 -1.26 -5.05 113.62 120.53 1xpn n SER 11 Ca 0.45 1.03 -0.15 0.00 1.01 0.00 0.00 58.87 61.20 1xpn n SER 11 Cb 0.45 -4.24 0.10 0.00 -1.01 0.00 0.00 64.21 59.51 1xpn n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xpn n GLY 12 N 1.21 -1.01 3.57 0.23 0.00 -1.26 -4.93 105.19 103.00 1xpn n GLY 12 Ca -0.29 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 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 0.00 3.70 -0.22 0.99 1.43 -1.26 -4.41 118.68 118.91 1xpn s LEU 13 Ca 0.40 -2.13 -0.03 0.00 -1.03 0.00 0.00 54.13 51.35 1xpn s LEU 13 Cb -0.01 -2.58 0.01 0.00 0.03 0.00 0.00 46.19 43.64 1xpn s LEU 13 CO 0.28 -1.39 0.05 0.52 0.23 0.00 0.00 176.35 176.04 1xpn n VAL 14 N 6.63-10.18 -1.73 -1.59 0.31 -1.26 -4.91 118.33 105.59 1xpn n VAL 14 Ca 0.45 1.66 -0.42 0.00 -0.01 0.00 0.00 64.34 66.02 1xpn n VAL 14 Cb 0.47 -6.22 -0.02 0.00 -0.91 0.00 0.00 33.84 27.16 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 0.76 2.78 -1.81 5.55 -0.02 -1.26 -4.87 135.00 136.12 1xpn n PRO 15 Ca -0.09 1.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.97 1xpn n PRO 15 Cb 0.13 -2.82 -0.03 0.00 -0.02 0.00 0.00 33.50 30.76 1xpn n PRO 15 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1xpn s ARG 16 N 0.52 3.08 0.00 -0.52 1.81 -1.26 -2.32 118.95 120.26 1xpn s ARG 16 Ca 0.71 1.59 0.00 0.00 -1.72 0.00 0.00 55.73 56.31 1xpn s ARG 16 Cb -0.49 -4.32 0.00 0.00 -0.45 0.00 0.00 34.95 29.69 1xpn s ARG 16 CO 0.38 -2.16 0.00 0.41 -0.68 0.00 0.00 175.30 173.26 1xpn n GLY 17 N 5.63 0.95 3.80 -3.53 0.00 -1.26 -5.12 105.19 105.65 1xpn n GLY 17 Ca 0.27 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.90 1xpn n GLY 17 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xpn s SER 18 N 0.00 7.16 -0.29 1.61 0.15 -0.98 -5.06 113.70 116.29 1xpn s SER 18 Ca 0.00 1.39 -0.04 0.00 0.70 0.00 0.00 55.95 58.00 1xpn s SER 18 Cb 0.00 -2.41 0.10 0.00 -1.71 0.00 0.00 66.02 62.00 1xpn s SER 18 CO 0.00 0.23 0.13 -1.00 1.20 0.00 0.00 173.24 173.80 1xpn s HIS 19 N -1.17 0.35 0.27 3.44 0.09 -1.26 -4.97 115.29 112.05 1xpn s HIS 19 Ca 0.33 -0.90 -0.09 0.00 -0.00 0.00 0.00 55.06 54.39 1xpn s HIS 19 Cb -0.20 -0.92 -0.07 0.00 -0.00 0.00 0.00 32.58 31.39 1xpn s HIS 19 CO 0.22 -0.83 0.59 -1.64 -0.00 0.00 0.00 174.74 173.07 1xpn s MET 20 N 2.09 3.77 -0.41 1.40 -1.94 -1.26 -4.95 119.30 117.99 1xpn s MET 20 Ca 0.09 0.26 -0.40 0.00 -1.71 0.00 0.00 55.69 53.93 1xpn s MET 20 Cb -0.16 -2.60 -0.15 0.00 2.01 0.00 0.00 34.83 33.92 1xpn s MET 20 CO -0.37 0.24 2.09 0.00 -0.01 0.00 0.00 175.02 176.97 1xpn n ALA 21 N -0.48 0.47 0.82 3.03 0.00 -1.26 -4.80 120.51 118.28 1xpn n ALA 21 Ca 0.00 0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.69 1xpn n ALA 21 Cb 0.53 -2.29 0.33 0.00 0.00 0.00 0.00 19.45 18.02 1xpn n ALA 21 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xpn n SER 22 N 8.10 0.49 -4.33 0.00 3.41 -1.26 -4.67 113.62 115.36 1xpn n SER 22 Ca 0.45 0.13 -0.40 0.00 -0.26 0.00 0.00 58.87 58.79 1xpn n SER 22 Cb 0.09 -0.07 -0.11 0.00 -0.26 0.00 0.00 64.21 63.86 1xpn n SER 22 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1xpn s ASN 23 N -3.57 5.67 0.00 4.04 0.01 -1.26 -5.07 114.94 114.76 1xpn s ASN 23 Ca 0.10 -1.17 -0.30 0.00 -0.71 0.00 0.00 52.86 50.78 1xpn s ASN 23 Cb 0.16 -2.00 -0.04 0.00 0.41 0.00 0.00 41.25 39.78 1xpn s ASN 23 CO 0.66 -0.43 1.09 -2.16 -1.51 0.00 0.00 177.10 174.75 1xpn s PRO 24 N 1.50 4.47 0.15 -0.60 0.04 -1.26 -5.04 135.00 134.26 1xpn s PRO 24 Ca 0.02 1.58 -0.03 0.00 0.04 0.00 0.00 61.00 62.61 1xpn s PRO 24 Cb -0.20 -3.44 -0.05 0.00 0.04 0.00 0.00 34.50 30.85 1xpn s PRO 24 CO 0.05 -0.21 0.35 -0.80 0.04 0.00 0.00 177.00 176.44 1xpn s ASN 25 N 1.10 6.43 0.00 6.66 -0.87 -1.26 -5.10 114.94 121.91 1xpn s ASN 25 Ca 0.55 0.48 0.00 0.00 -1.57 0.00 0.00 52.86 52.31 1xpn s ASN 25 Cb -0.24 -2.04 0.00 0.00 -0.02 0.00 0.00 41.25 38.94 1xpn s ASN 25 CO 0.27 0.04 0.00 0.47 -2.57 0.00 0.00 177.10 175.31 1xpn n ASP 26 N -0.12 0.82 -2.78 -1.22 8.00 -1.26 -5.06 116.55 114.94 1xpn n ASP 26 Ca -0.04 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.44 1xpn n ASP 26 Cb 0.52 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.60 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 -6.12 -4.65 0.64 4.77 -1.26 -4.95 117.00 105.43 1xpn n LEU 27 Ca 0.00 1.66 -0.42 0.00 -0.03 0.00 0.00 56.01 57.23 1xpn n LEU 27 Cb 0.00 -2.83 -0.04 0.00 -2.33 0.00 0.00 43.42 38.22 1xpn n LEU 27 CO 0.00 -3.37 0.62 -2.16 -1.33 0.00 0.00 177.39 171.15 1xpn s PRO 28 N -0.84 4.21 0.02 3.23 0.04 -1.26 -4.96 135.00 135.43 1xpn s PRO 28 Ca -0.14 0.93 -0.17 0.00 0.04 0.00 0.00 61.00 61.66 1xpn s PRO 28 Cb 0.01 -3.63 -0.34 0.00 0.04 0.00 0.00 34.50 30.58 1xpn s PRO 28 CO 0.57 -0.46 0.99 0.22 0.04 0.00 0.00 177.00 178.37 1xpn h ASP 29 N 7.60 0.78 0.33 6.66 3.58 -1.97 -3.37 116.42 130.02 1xpn h ASP 29 Ca -0.25 -0.91 -0.02 0.00 0.42 0.00 0.00 57.03 56.27 1xpn h ASP 29 Cb 1.10 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.91 1xpn h ASP 29 CO 0.86 1.63 -0.16 -0.26 -2.88 0.00 0.00 179.24 178.43 1xpn h PHE 30 N 0.05 -0.41 0.00 0.28 0.04 -2.04 -3.07 116.94 111.79 1xpn h PHE 30 Ca -0.22 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.54 1xpn h PHE 30 Cb 2.02 0.14 0.00 0.00 2.20 0.00 0.00 35.95 40.30 1xpn h PHE 30 CO 0.14 -0.13 0.00 -0.35 -0.60 0.00 0.00 178.31 177.37 1xpn n PRO 31 N -5.20 0.95 -2.25 1.51 -0.04 -1.26 -4.38 135.00 124.34 1xpn n PRO 31 Ca -0.10 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.95 1xpn n PRO 31 Cb 0.25 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1xpn n PRO 31 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1xpn n GLU 32 N -0.33 4.47 -0.05 0.54 4.07 -1.16 -4.21 120.64 123.97 1xpn n GLU 32 Ca 0.00 -3.73 0.12 0.00 -0.06 0.00 0.00 57.16 53.49 1xpn n GLU 32 Cb 0.08 -2.67 0.26 0.00 -0.06 0.00 0.00 31.44 29.04 1xpn n GLU 32 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 1xpn n HIS 33 N 1.97 0.12 -0.02 4.31 8.25 -1.26 -4.71 115.22 123.88 1xpn n HIS 33 Ca 0.52 -0.06 -0.13 0.00 -0.26 0.00 0.00 57.72 57.79 1xpn n HIS 33 Cb 0.28 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.30 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 3.81 0.09 -0.58 -0.41 4.39 -1.97 -2.50 114.58 117.41 1xpn h GLU 34 Ca 0.00 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 1xpn h GLU 34 Cb 0.82 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.44 1xpn h GLU 34 CO 0.00 0.53 0.28 1.88 -1.16 0.00 0.00 179.01 180.54 1xpn h TYR 35 N -0.34 0.80 0.00 4.33 0.05 -1.95 -1.61 116.97 118.26 1xpn h TYR 35 Ca 0.01 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 1xpn h TYR 35 Cb 0.51 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 37.99 1xpn h TYR 35 CO 0.08 0.59 -0.07 0.00 -1.05 0.00 0.00 178.16 177.71 1xpn h ALA 36 N 1.49 1.06 -0.75 3.88 0.00 -1.83 -2.08 119.26 121.03 1xpn h ALA 36 Ca 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1xpn h ALA 36 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1xpn h ALA 36 CO -0.03 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1xpn n ALA 37 N -2.15 2.39 -2.57 0.00 0.00 -0.63 -4.88 120.51 112.66 1xpn n ALA 37 Ca -0.00 -1.31 -0.41 0.00 0.00 0.00 0.00 53.44 51.71 1xpn n ALA 37 Cb 0.29 -0.94 -0.08 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.01 5.04 0.48 0.00 2.01 -0.78 -5.06 115.64 116.31 1xpn s THR 38 Ca 0.50 0.45 -0.03 0.00 0.31 0.00 0.00 61.69 62.92 1xpn s THR 38 Cb 0.26 -3.92 -0.01 0.00 0.01 0.00 0.00 72.50 68.84 1xpn s THR 38 CO 0.34 -0.14 0.74 -1.10 -0.69 0.00 0.00 174.62 173.77 1xpn s GLN 39 N 2.36 3.20 0.01 4.92 -0.21 -1.26 -5.00 119.66 123.68 1xpn s GLN 39 Ca 0.19 -0.18 0.22 0.00 0.02 0.00 0.00 55.36 55.61 1xpn s GLN 39 Cb -0.15 -2.46 -0.13 0.00 1.00 0.00 0.00 33.01 31.27 1xpn s GLN 39 CO 0.12 -0.31 0.86 1.04 -2.12 0.00 0.00 175.29 174.88 1xpn n GLN 40 N -2.21 0.29 -2.43 2.91 1.13 -1.26 -4.66 117.38 111.14 1xpn n GLN 40 Ca 0.01 -0.05 -0.43 0.00 -1.94 0.00 0.00 57.00 54.59 1xpn n GLN 40 Cb 0.57 -1.55 -0.02 0.00 0.11 0.00 0.00 30.24 29.35 1xpn n GLN 40 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1xpn s VAL 41 N -3.21 4.08 0.19 5.09 1.01 -1.26 -4.62 120.40 121.68 1xpn s VAL 41 Ca 0.02 1.16 -0.24 0.00 0.00 0.00 0.00 61.98 62.93 1xpn s VAL 41 Cb 0.15 -4.25 0.05 0.00 0.00 0.00 0.00 36.38 32.32 1xpn s VAL 41 CO 0.85 -0.66 0.86 -0.83 0.00 0.00 0.00 175.10 175.32 1xpn s GLY 42 N 3.12 -0.20 -0.01 4.51 0.00 -1.26 -3.97 107.32 109.51 1xpn s GLY 42 Ca 0.56 0.00 0.02 0.00 0.00 0.00 0.00 44.72 45.31 1xpn s GLY 42 CO 0.28 -0.02 0.79 0.61 0.00 0.00 0.00 173.10 174.76 1xpn n GLY 43 N -0.46 -0.20 3.68 0.20 0.00 -0.91 -3.78 105.19 103.71 1xpn n GLY 43 Ca -0.06 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.75 1.77 -0.33 -0.02 0.00 0.40 -4.39 107.32 104.00 1xpn s GLY 44 Ca 0.03 0.78 -0.06 0.00 0.00 0.00 0.00 44.72 45.47 1xpn s GLY 44 CO 0.00 2.58 0.10 0.14 0.00 0.00 0.00 173.10 175.93 1xpn s VAL 45 N 2.93 3.82 -0.32 1.40 1.01 -1.06 -3.43 120.40 124.75 1xpn s VAL 45 Ca 0.63 -1.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.48 1xpn s VAL 45 Cb -0.29 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 1xpn s VAL 45 CO 0.24 -0.11 0.19 -0.63 0.00 0.00 0.00 175.10 174.79 1xpn s ILE 46 N 1.43 4.98 -0.53 2.22 1.01 0.89 0.20 121.20 131.40 1xpn s ILE 46 Ca -0.01 -0.24 -0.13 0.00 0.00 0.00 0.00 60.65 60.27 1xpn s ILE 46 Cb -0.19 -3.52 0.13 0.00 0.01 0.00 0.00 42.46 38.90 1xpn s ILE 46 CO 0.03 0.07 0.46 0.20 0.00 0.00 0.00 174.94 175.69 1xpn s ASN 47 N 1.68 6.02 -0.17 3.58 0.02 0.11 -0.41 114.94 125.76 1xpn s ASN 47 Ca 0.06 -1.93 -0.05 0.00 -1.02 0.00 0.00 52.86 49.92 1xpn s ASN 47 Cb -0.17 -2.12 -0.03 0.00 0.02 0.00 0.00 41.25 38.95 1xpn s ASN 47 CO 0.09 -0.76 -0.00 -0.83 0.02 0.00 0.00 177.10 175.61 1xpn s GLY 48 N 3.07 1.77 -0.25 0.66 0.00 0.54 -0.42 107.32 112.68 1xpn s GLY 48 Ca 0.05 -0.83 -0.05 0.00 0.00 0.00 0.00 44.72 43.90 1xpn s GLY 48 CO 0.01 0.01 0.01 -0.35 0.00 0.00 0.00 173.10 172.78 1xpn s ASP 49 N 0.47 4.65 -0.13 1.64 2.15 -0.46 -0.14 116.67 124.85 1xpn s ASP 49 Ca -0.01 -0.51 -0.18 0.00 0.43 0.00 0.00 52.55 52.28 1xpn s ASP 49 Cb -0.14 -1.80 -0.04 0.00 -0.30 0.00 0.00 42.92 40.65 1xpn s ASP 49 CO 0.02 -0.08 0.47 -0.22 -0.17 0.00 0.00 175.17 175.19 1xpn s LEU 50 N 1.49 4.26 -0.30 -1.34 2.96 0.83 -0.29 118.68 126.28 1xpn s LEU 50 Ca 0.04 0.77 -0.13 0.00 -0.22 0.00 0.00 54.13 54.60 1xpn s LEU 50 Cb -0.15 -2.67 0.17 0.00 0.50 0.00 0.00 46.19 44.04 1xpn s LEU 50 CO -0.01 -0.02 0.98 -0.72 -1.32 0.00 0.00 176.35 175.27 1xpn s TYR 51 N 0.75 -0.70 -0.20 5.38 1.13 -1.04 -4.67 117.35 118.00 1xpn s TYR 51 Ca 0.25 0.94 -0.09 0.00 -1.41 0.00 0.00 57.07 56.76 1xpn s TYR 51 Cb -0.15 0.32 -0.04 0.00 -1.10 0.00 0.00 41.96 40.98 1xpn s TYR 51 CO 0.10 -0.37 0.10 -0.51 -2.51 0.00 0.00 175.55 172.36 1xpn s LEU 52 N 2.70 3.95 -0.71 -3.49 1.43 -0.08 -4.52 118.68 117.96 1xpn s LEU 52 Ca 0.01 0.10 -0.26 0.00 -1.03 0.00 0.00 54.13 52.95 1xpn s LEU 52 Cb -0.09 -2.02 0.04 0.00 0.03 0.00 0.00 46.19 44.15 1xpn s LEU 52 CO -0.15 0.14 1.18 0.42 0.23 0.00 0.00 176.35 178.17 1xpn s THR 53 N 0.60 3.91 0.92 5.49 -4.23 -1.26 -0.39 115.64 120.68 1xpn s THR 53 Ca 0.05 0.19 -0.11 0.00 -1.18 0.00 0.00 61.69 60.65 1xpn s THR 53 Cb -0.12 -4.84 0.15 0.00 1.34 0.00 0.00 72.50 69.02 1xpn s THR 53 CO 0.01 -1.72 1.10 -0.55 -0.54 0.00 0.00 174.62 172.92 1xpn s SER 54 N 3.69 3.08 0.51 3.99 0.15 -1.26 -4.86 113.70 119.00 1xpn s SER 54 Ca 0.31 1.81 0.20 0.00 0.70 0.00 0.00 55.95 58.97 1xpn s SER 54 Cb -0.11 -2.41 1.28 0.00 -1.71 0.00 0.00 66.02 63.08 1xpn s SER 54 CO 0.14 -2.94 2.06 0.00 1.20 0.00 0.00 173.24 173.70 1xpn h ALA 55 N -1.76 2.22 0.00 5.45 0.00 -2.03 0.28 119.26 123.43 1xpn h ALA 55 Ca -0.48 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xpn h ALA 55 Cb 1.28 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1xpn h ALA 55 CO 0.49 -0.31 -0.01 0.77 0.00 0.00 0.00 179.25 180.19 1xpn h SER 56 N 0.07 0.00 -0.12 0.00 0.02 -1.99 -3.46 113.55 108.07 1xpn h SER 56 Ca 0.15 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 1xpn h SER 56 Cb 0.53 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 1xpn h SER 56 CO -0.01 0.01 -0.04 0.61 -1.14 0.00 0.00 176.83 176.25 1xpn n GLY 57 N -0.04 0.53 0.17 -3.77 0.00 0.99 -4.92 105.19 98.16 1xpn n GLY 57 Ca 0.00 -0.97 0.08 0.00 0.00 0.00 0.00 46.02 45.13 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 0.01 0.81 -3.67 4.61 0.00 -1.90 -3.48 119.26 115.63 1xpn h ALA 58 Ca -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1xpn h ALA 58 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1xpn h ALA 58 CO 0.07 0.27 -0.66 -0.89 0.00 0.00 0.00 179.25 178.03 1xpn n ILE 59 N -3.07 -9.79 -3.33 0.00 5.41 -1.26 -4.96 119.36 102.35 1xpn n ILE 59 Ca 0.02 2.20 -0.39 0.00 1.00 0.00 0.00 62.75 65.58 1xpn n ILE 59 Cb 0.62 -4.92 -0.08 0.00 -0.71 0.00 0.00 39.64 34.56 1xpn n ILE 59 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1xpn s GLN 60 N -1.16 4.13 0.25 0.38 1.11 0.47 -4.89 119.66 119.95 1xpn s GLN 60 Ca 0.00 0.24 0.23 0.00 0.01 0.00 0.00 55.36 55.84 1xpn s GLN 60 Cb 0.00 -3.58 0.27 0.00 -1.01 0.00 0.00 33.01 28.69 1xpn s GLN 60 CO 0.00 -0.16 1.36 0.87 0.01 0.00 0.00 175.29 177.36 1xpn h LYS 61 N 7.65 0.00 -3.06 2.91 1.79 -1.86 -0.18 116.57 123.81 1xpn h LYS 61 Ca -0.33 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 1xpn h LYS 61 Cb 1.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 1xpn h LYS 61 CO 0.71 0.00 -0.02 0.41 -1.08 0.00 0.00 179.45 179.47 1xpn n GLY 62 N 1.21 -1.71 3.55 3.86 0.00 -1.26 -4.36 105.19 106.47 1xpn n GLY 62 Ca 0.03 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.58 5.03 -0.56 2.61 -4.23 -1.26 -4.35 115.64 112.29 1xpn s THR 63 Ca 0.00 0.22 -0.10 0.00 -1.18 0.00 0.00 61.69 60.63 1xpn s THR 63 Cb -0.00 -3.97 0.01 0.00 1.34 0.00 0.00 72.50 69.88 1xpn s THR 63 CO 0.02 -0.25 0.64 -3.20 -0.54 0.00 0.00 174.62 171.29 1xpn n ASN 64 N 5.73 -7.74 -4.12 3.99 2.85 -0.84 -5.00 115.26 110.12 1xpn n ASN 64 Ca -0.05 0.24 -0.20 0.00 -0.11 0.00 0.00 54.58 54.46 1xpn n ASN 64 Cb 0.49 -5.14 -0.14 0.00 1.24 0.00 0.00 39.78 36.23 1xpn n ASN 64 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1xpn s THR 65 N -2.73 1.05 -0.21 -0.44 2.01 -1.18 -4.91 115.64 109.23 1xpn s THR 65 Ca 0.15 -0.89 -0.24 0.00 0.31 0.00 0.00 61.69 61.02 1xpn s THR 65 Cb -0.04 -0.95 -0.01 0.00 0.01 0.00 0.00 72.50 71.51 1xpn s THR 65 CO 0.77 0.05 0.81 -0.54 -0.69 0.00 0.00 174.62 175.02 1xpn s LYS 66 N -0.96 4.23 -0.37 4.92 1.02 -1.26 -1.17 119.74 126.15 1xpn s LYS 66 Ca 0.02 0.93 -0.04 0.00 0.02 0.00 0.00 55.97 56.90 1xpn s LYS 66 Cb -0.07 -3.61 0.08 0.00 -0.52 0.00 0.00 37.83 33.70 1xpn s LYS 66 CO 0.01 -0.42 0.14 0.08 -0.92 0.00 0.00 175.35 174.24 1xpn s VAL 67 N 2.48 3.42 0.03 3.17 1.01 0.89 -3.91 120.40 127.49 1xpn s VAL 67 Ca 0.35 -1.62 -0.04 0.00 0.00 0.00 0.00 61.98 60.67 1xpn s VAL 67 Cb -0.16 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 1xpn s VAL 67 CO 0.10 -0.42 0.26 0.00 0.00 0.00 0.00 175.10 175.03 1xpn s ALA 68 N 1.26 3.89 -0.12 5.51 0.00 0.14 -0.13 121.76 132.32 1xpn s ALA 68 Ca 0.02 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.33 1xpn s ALA 68 Cb -0.21 -1.99 0.02 0.00 0.00 0.00 0.00 23.12 20.93 1xpn s ALA 68 CO -0.01 0.70 -0.12 -1.17 0.00 0.00 0.00 175.76 175.16 1xpn s LEU 69 N -2.06 1.53 0.05 0.00 0.20 -0.36 -0.36 118.68 117.69 1xpn s LEU 69 Ca 0.31 -0.39 0.03 0.00 0.69 0.00 0.00 54.13 54.76 1xpn s LEU 69 Cb -0.13 -1.01 -0.03 0.00 -0.43 0.00 0.00 46.19 44.59 1xpn s LEU 69 CO 0.20 -0.05 -0.09 -1.83 -0.29 0.00 0.00 176.35 174.29 1xpn s GLU 70 N 1.34 0.61 0.44 1.98 -1.05 -0.49 -2.55 118.70 118.99 1xpn s GLU 70 Ca 0.00 -0.85 -0.23 0.00 -0.15 0.00 0.00 54.97 53.74 1xpn s GLU 70 Cb -0.14 -0.39 -0.08 0.00 -0.44 0.00 0.00 34.13 33.08 1xpn s GLU 70 CO -0.06 0.07 1.07 -2.14 0.95 0.00 0.00 175.26 175.15 1xpn s PRO 71 N -1.82 3.96 -0.62 -4.83 0.02 -1.26 0.23 135.00 130.68 1xpn s PRO 71 Ca -0.06 1.54 -0.27 0.00 0.02 0.00 0.00 61.00 62.23 1xpn s PRO 71 Cb -0.09 -2.39 -0.02 0.00 0.02 0.00 0.00 34.50 32.03 1xpn s PRO 71 CO 0.00 -0.32 1.80 0.00 -0.33 0.00 0.00 177.00 178.15 1xpn s ALA 72 N -1.71 2.24 -0.09 -1.55 0.00 -0.64 -4.76 121.76 115.26 1xpn s ALA 72 Ca 0.62 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.88 1xpn s ALA 72 Cb -0.22 -4.29 -0.03 0.00 0.00 0.00 0.00 23.12 18.58 1xpn s ALA 72 CO 0.27 -3.81 -0.10 0.95 0.00 0.00 0.00 175.76 173.08 1xpn s THR 73 N 8.70 3.42 0.50 0.00 -4.23 -1.26 -4.99 115.64 117.78 1xpn s THR 73 Ca 0.64 -0.57 0.31 0.00 -1.18 0.00 0.00 61.69 60.90 1xpn s THR 73 Cb -0.12 -2.41 0.35 0.00 1.34 0.00 0.00 72.50 71.65 1xpn s THR 73 CO 0.20 0.57 2.18 -1.28 -0.54 0.00 0.00 174.62 175.75 1xpn h SER 74 N 5.81 0.00 0.03 3.99 0.87 -1.93 -0.84 113.55 121.47 1xpn h SER 74 Ca -0.40 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1xpn h SER 74 Cb 1.18 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1xpn h SER 74 CO 0.54 0.05 -0.02 0.22 -0.53 0.00 0.00 176.83 177.10 1xpn h TYR 75 N 0.00 0.00 -0.42 2.24 3.20 -1.87 -2.44 116.97 117.69 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 0.18 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.45 1xpn h TYR 75 CO 0.00 0.02 0.00 -1.33 -1.64 0.00 0.00 178.16 175.21 1xpn n MET 76 N -4.17 2.95 -0.23 1.82 2.81 -0.33 -4.33 117.12 115.63 1xpn n MET 76 Ca -0.03 -2.32 -0.08 0.00 -1.81 0.00 0.00 57.70 53.46 1xpn n MET 76 Cb 0.10 -1.45 0.04 0.00 -0.71 0.00 0.00 33.22 31.20 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 2.50 1.09 0.00 0.03 3.64 -1.36 0.39 116.57 122.86 1xpn h LYS 77 Ca 0.00 -0.30 -0.08 0.00 -1.27 0.00 0.00 60.65 59.00 1xpn h LYS 77 Cb 0.93 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 1xpn h LYS 77 CO 0.05 1.01 -0.37 0.00 -2.27 0.00 0.00 179.45 177.88 1xpn h ALA 78 N 1.04 0.98 0.06 5.00 0.00 -1.79 -2.62 119.26 121.93 1xpn h ALA 78 Ca 0.20 -0.33 -0.23 0.00 0.00 0.00 0.00 54.91 54.54 1xpn h ALA 78 Cb 0.46 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.21 1xpn h ALA 78 CO 0.02 0.46 -0.94 -0.92 0.00 0.00 0.00 179.25 177.87 1xpn h TYR 79 N 0.00 0.83 0.00 0.00 3.20 -1.59 -3.26 116.97 116.15 1xpn h TYR 79 Ca -0.00 -0.49 0.00 0.00 3.14 0.00 0.00 58.73 61.37 1xpn h TYR 79 Cb 0.90 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.10 1xpn h TYR 79 CO 0.00 1.34 0.00 0.66 -1.64 0.00 0.00 178.16 178.52 1xpn n TYR 80 N -3.99 0.08 -0.09 -3.82 4.02 0.13 -0.23 117.16 113.26 1xpn n TYR 80 Ca -0.12 0.02 -0.12 0.00 -0.01 0.00 0.00 57.90 57.68 1xpn n TYR 80 Cb 0.84 -0.54 0.01 0.00 -0.02 0.00 0.00 39.34 39.64 1xpn n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1xpn h ALA 81 N 2.83 0.65 0.00 -0.72 0.00 -1.51 -1.60 119.26 118.92 1xpn h ALA 81 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1xpn h ALA 81 Cb 0.45 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1xpn h ALA 81 CO 0.00 0.67 -0.20 0.87 0.00 0.00 0.00 179.25 180.59 1xpn h LYS 82 N 0.68 0.00 -0.57 0.00 1.57 -1.53 -3.41 116.57 113.31 1xpn h LYS 82 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1xpn h LYS 82 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1xpn h LYS 82 CO 0.09 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 180.16 1xpn n PHE 83 N -4.26 0.76 -2.33 -1.35 3.72 0.68 -4.86 117.46 109.82 1xpn n PHE 83 Ca -0.03 -0.38 -0.43 0.00 -0.05 0.00 0.00 57.45 56.57 1xpn n PHE 83 Cb 0.11 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.62 1xpn n PHE 83 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1xpn s GLY 84 N -1.10 1.02 -0.44 1.37 0.00 -0.60 -3.85 107.32 103.71 1xpn s GLY 84 Ca 0.41 -0.23 -0.18 0.00 0.00 0.00 0.00 44.72 44.72 1xpn s GLY 84 CO 0.29 2.82 0.61 -2.01 0.00 0.00 0.00 173.10 174.81 1xpn n ASN 85 N 9.15 -7.71 -4.39 1.64 2.85 -1.26 -4.93 115.26 110.61 1xpn n ASN 85 Ca 0.16 0.45 -0.42 0.00 -0.11 0.00 0.00 54.58 54.66 1xpn n ASN 85 Cb 0.48 -5.02 -0.10 0.00 1.24 0.00 0.00 39.78 36.38 1xpn n ASN 85 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1xpn s LEU 86 N -2.63 5.15 0.69 1.20 0.20 0.18 -4.87 118.68 118.61 1xpn s LEU 86 Ca 0.26 -1.14 -0.15 0.00 0.69 0.00 0.00 54.13 53.80 1xpn s LEU 86 Cb -0.07 -2.10 0.02 0.00 -0.43 0.00 0.00 46.19 43.61 1xpn s LEU 86 CO 0.78 -0.50 1.14 -0.62 -0.29 0.00 0.00 176.35 176.86 1xpn s ASP 87 N 1.96 4.74 0.57 3.68 -1.08 -1.26 0.15 116.67 125.43 1xpn s ASP 87 Ca 0.04 2.11 0.25 0.00 -0.52 0.00 0.00 52.55 54.43 1xpn s ASP 87 Cb -0.21 -2.56 1.59 0.00 -1.46 0.00 0.00 42.92 40.27 1xpn s ASP 87 CO 0.07 -1.88 2.16 0.00 0.52 0.00 0.00 175.17 176.04 1xpn h ALA 88 N -0.16 1.82 -0.08 3.66 0.00 -1.28 -0.69 119.26 122.54 1xpn h ALA 88 Ca -0.47 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.46 1xpn h ALA 88 Cb 1.26 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xpn h ALA 88 CO 0.52 -0.14 0.06 0.00 0.00 0.00 0.00 179.25 179.69 1xpn h ALA 89 N 1.91 2.03 -0.21 0.00 0.00 -1.90 -1.77 119.26 119.33 1xpn h ALA 89 Ca 0.05 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1xpn h ALA 89 Cb 0.22 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1xpn h ALA 89 CO -0.00 -0.05 -0.24 0.36 0.00 0.00 0.00 179.25 179.32 1xpn n LYS 90 N -4.52 1.75 -2.17 0.00 2.85 -0.28 -4.96 118.16 110.83 1xpn n LYS 90 Ca -0.01 -3.21 -0.41 0.00 -1.05 0.00 0.00 58.31 53.63 1xpn n LYS 90 Cb 0.14 -1.73 -0.03 0.00 -0.65 0.00 0.00 35.03 32.76 1xpn n LYS 90 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1xpn s ARG 91 N -3.23 3.11 -0.37 -1.58 1.81 -0.67 -4.88 118.95 113.15 1xpn s ARG 91 Ca 0.42 0.81 -0.20 0.00 -1.72 0.00 0.00 55.73 55.04 1xpn s ARG 91 Cb 0.39 -4.22 0.01 0.00 -0.45 0.00 0.00 34.95 30.67 1xpn s ARG 91 CO -0.03 -2.15 0.62 0.34 -0.68 0.00 0.00 175.30 173.40 1xpn s ASP 92 N 6.05 6.39 0.00 0.23 -1.08 -1.26 -4.92 116.67 122.08 1xpn s ASP 92 Ca 0.65 0.03 0.28 0.00 -0.52 0.00 0.00 52.55 53.00 1xpn s ASP 92 Cb -0.15 -2.32 1.14 0.00 -1.46 0.00 0.00 42.92 40.13 1xpn s ASP 92 CO 0.27 -0.61 1.80 -0.81 0.52 0.00 0.00 175.17 176.34 1xpn n PRO 93 N 6.03 0.85 -0.12 4.34 -0.04 -1.26 -4.16 135.00 140.64 1xpn n PRO 93 Ca -0.02 -0.36 -0.25 0.00 -0.04 0.00 0.00 63.50 62.83 1xpn n PRO 93 Cb 0.48 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.36 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 -0.76 1.76 -4.63 3.54 2.03 -1.26 -4.90 116.55 112.33 1xpn n ASP 94 Ca 0.15 0.25 -0.43 0.00 0.52 0.00 0.00 54.79 55.28 1xpn n ASP 94 Cb 0.29 -0.67 -0.02 0.00 -0.72 0.00 0.00 41.12 39.99 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 -2.44 3.77 0.07 5.18 1.01 -1.26 -5.00 120.40 121.73 1xpn s VAL 95 Ca -0.33 0.87 -0.12 0.00 0.00 0.00 0.00 61.98 62.39 1xpn s VAL 95 Cb 0.12 -3.79 -0.06 0.00 0.00 0.00 0.00 36.38 32.66 1xpn s VAL 95 CO 0.44 -0.33 0.44 -1.10 0.00 0.00 0.00 175.10 174.54 1xpn s GLN 96 N 4.60 3.86 0.26 2.72 -1.52 -1.26 -4.91 119.66 123.41 1xpn s GLN 96 Ca 0.69 0.33 -0.31 0.00 -1.95 0.00 0.00 55.36 54.12 1xpn s GLN 96 Cb -0.23 -3.06 -0.12 0.00 -0.22 0.00 0.00 33.01 29.37 1xpn s GLN 96 CO 0.28 0.59 1.55 -2.30 -0.25 0.00 0.00 175.29 175.16 1xpn n PRO 97 N 1.19 2.46 -1.00 2.91 -0.02 -1.26 -4.98 135.00 134.29 1xpn n PRO 97 Ca -0.09 0.88 -0.31 0.00 -2.02 0.00 0.00 63.50 61.96 1xpn n PRO 97 Cb 0.52 -2.63 0.14 0.00 -0.02 0.00 0.00 33.50 31.51 1xpn n PRO 97 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1xpn s PRO 98 N -0.17 1.39 -0.62 0.52 0.02 -1.26 -4.90 135.00 129.98 1xpn s PRO 98 Ca 0.68 1.20 -0.27 0.00 0.02 0.00 0.00 61.00 62.63 1xpn s PRO 98 Cb -0.56 -1.80 -0.01 0.00 0.02 0.00 0.00 34.50 32.15 1xpn s PRO 98 CO 0.46 -2.26 1.77 0.08 -0.33 0.00 0.00 177.00 176.72 1xpn s VAL 99 N -2.79 3.42 0.73 3.83 1.01 -1.26 -4.97 120.40 120.37 1xpn s VAL 99 Ca 0.64 0.25 -0.08 0.00 0.00 0.00 0.00 61.98 62.79 1xpn s VAL 99 Cb -0.20 -4.08 0.07 0.00 0.00 0.00 0.00 36.38 32.17 1xpn s VAL 99 CO 0.58 -1.03 1.05 -0.76 0.00 0.00 0.00 175.10 174.94 1xpn s LEU 100 N 8.48 2.75 0.20 3.92 1.43 -1.26 -5.00 118.68 129.20 1xpn s LEU 100 Ca 0.63 0.50 -0.32 0.00 -1.03 0.00 0.00 54.13 53.91 1xpn s LEU 100 Cb -0.12 -3.10 -0.11 0.00 0.03 0.00 0.00 46.19 42.88 1xpn s LEU 100 CO 0.20 -1.69 1.66 -0.62 0.23 0.00 0.00 176.35 176.13 1xpn s ASP 101 N -4.54 6.45 0.64 2.29 -1.08 -1.26 -4.87 116.67 114.30 1xpn s ASP 101 Ca 0.61 2.78 0.42 0.00 -0.52 0.00 0.00 52.55 55.84 1xpn s ASP 101 Cb -0.11 -2.60 2.28 0.00 -1.46 0.00 0.00 42.92 41.04 1xpn s ASP 101 CO 0.46 -0.91 2.29 1.55 0.52 0.00 0.00 175.17 179.07 1xpn h PRO 102 N 6.63 0.00 -0.08 4.34 0.13 -2.03 -2.49 132.00 138.50 1xpn h PRO 102 Ca -0.43 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.72 1xpn h PRO 102 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1xpn h PRO 102 CO 0.93 0.00 0.07 0.00 -0.23 0.00 0.00 178.00 178.76 1xpn h ARG 103 N 0.00 0.00 0.00 0.86 3.08 -2.01 -1.15 114.38 115.16 1xpn h ARG 103 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1xpn h ARG 103 Cb 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1xpn h ARG 103 CO 0.00 0.00 -0.10 0.07 -1.07 0.00 0.00 179.97 178.87 1xpn h ARG 104 N 0.00 0.00 0.00 0.04 0.11 -1.83 -0.71 114.38 111.99 1xpn h ARG 104 Ca 0.04 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.10 1xpn h ARG 104 Cb 0.17 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.25 1xpn h ARG 104 CO -0.00 0.10 -0.09 0.00 0.10 0.00 0.00 179.97 180.08 1xpn h ALA 105 N 1.90 1.07 0.00 0.08 0.00 -1.43 0.36 119.26 121.24 1xpn h ALA 105 Ca -0.00 -0.08 -0.25 0.00 0.00 0.00 0.00 54.91 54.57 1xpn h ALA 105 Cb 0.36 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1xpn h ALA 105 CO 0.01 0.12 -1.85 2.41 0.00 0.00 0.00 179.25 179.94 1xpn n THR 106 N -3.29 1.26 -0.04 0.00 -1.04 -0.34 -4.51 114.28 106.32 1xpn n THR 106 Ca -0.00 -0.76 -0.17 0.00 -2.04 0.00 0.00 64.05 61.08 1xpn n THR 106 Cb 0.31 -0.67 -0.14 0.00 -1.82 0.00 0.00 70.33 68.01 1xpn n THR 106 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1xpn n TYR 107 N -2.83 0.84 -2.26 -1.42 4.01 -0.81 -4.78 117.16 109.91 1xpn n TYR 107 Ca -0.18 0.21 -0.40 0.00 -0.16 0.00 0.00 57.90 57.37 1xpn n TYR 107 Cb 0.97 -1.12 -0.03 0.00 -0.31 0.00 0.00 39.34 38.85 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 -2.55 3.57 -0.19 -0.72 1.01 0.12 -4.80 120.40 116.85 1xpn s VAL 108 Ca -0.20 0.40 -0.20 0.00 0.00 0.00 0.00 61.98 61.98 1xpn s VAL 108 Cb 0.07 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 1xpn s VAL 108 CO 0.75 -1.18 0.58 0.00 0.00 0.00 0.00 175.10 175.25 1xpn s ARG 109 N 6.23 4.22 -0.20 2.72 1.70 -1.06 -4.84 118.95 127.72 1xpn s ARG 109 Ca 0.56 0.54 -0.09 0.00 -0.47 0.00 0.00 55.73 56.27 1xpn s ARG 109 Cb -0.12 -3.55 -0.05 0.00 -0.57 0.00 0.00 34.95 30.67 1xpn s ARG 109 CO 0.21 -0.16 0.10 -1.21 -1.08 0.00 0.00 175.30 173.17 1xpn s GLU 110 N 1.65 4.07 -0.08 3.89 2.02 -1.26 -1.22 118.70 127.76 1xpn s GLU 110 Ca 0.27 -0.29 0.01 0.00 0.02 0.00 0.00 54.97 54.98 1xpn s GLU 110 Cb -0.16 -3.35 -0.03 0.00 0.10 0.00 0.00 34.13 30.70 1xpn s GLU 110 CO 0.10 0.24 -0.08 0.00 0.02 0.00 0.00 175.26 175.54 1xpn s ALA 111 N 0.51 2.91 -0.37 5.21 0.00 0.82 -4.92 121.76 125.91 1xpn s ALA 111 Ca 0.06 -0.89 -0.12 0.00 0.00 0.00 0.00 51.96 51.00 1xpn s ALA 111 Cb -0.12 -1.23 0.01 0.00 0.00 0.00 0.00 23.12 21.78 1xpn s ALA 111 CO 0.00 0.50 0.23 0.99 0.00 0.00 0.00 175.76 177.48 1xpn s THR 112 N -0.55 4.88 0.54 0.00 2.01 -1.26 -0.08 115.64 121.19 1xpn s THR 112 Ca 0.08 -0.65 -0.19 0.00 0.31 0.00 0.00 61.69 61.25 1xpn s THR 112 Cb -0.12 -3.66 -0.06 0.00 0.01 0.00 0.00 72.50 68.68 1xpn s THR 112 CO 0.02 -0.18 1.09 0.42 -0.69 0.00 0.00 174.62 175.28 1xpn s THR 113 N 1.62 3.42 0.00 -0.82 -4.23 -0.31 -4.86 115.64 110.46 1xpn s THR 113 Ca 0.04 0.84 0.00 0.00 -1.18 0.00 0.00 61.69 61.39 1xpn s THR 113 Cb -0.19 -3.33 0.00 0.00 1.34 0.00 0.00 72.50 70.33 1xpn s THR 113 CO 0.08 -0.24 0.00 -0.67 -0.54 0.00 0.00 174.62 173.25 1xpn n ASP 114 N -1.39 0.00 -0.26 3.99 2.03 -1.26 -1.99 116.55 117.67 1xpn n ASP 114 Ca 0.10 0.00 0.19 0.00 0.52 0.00 0.00 54.79 55.61 1xpn n ASP 114 Cb 0.52 0.00 0.50 0.00 -0.72 0.00 0.00 41.12 41.42 1xpn n ASP 114 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 1xpn h GLN 115 N 0.00 0.41 0.00 -0.67 4.15 -1.97 0.11 115.11 117.13 1xpn h GLN 115 Ca 0.00 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.37 1xpn h GLN 115 Cb 0.00 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 27.59 1xpn h GLN 115 CO 0.00 0.27 -0.14 -0.91 -1.93 0.00 0.00 178.83 176.12 1xpn h ASN 116 N 0.42 0.00 -5.73 -0.69 2.35 -1.94 -3.46 115.58 106.52 1xpn h ASN 116 Ca 0.49 0.00 -0.42 0.00 -0.55 0.00 0.00 56.30 55.83 1xpn h ASN 116 Cb 1.21 0.00 0.09 0.00 0.05 0.00 0.00 38.32 39.67 1xpn h ASN 116 CO -0.20 0.14 -0.68 0.61 -1.65 0.00 0.00 177.43 175.65 1xpn n GLY 117 N -0.61 -0.53 3.01 2.83 0.00 0.36 -4.86 105.19 105.38 1xpn n GLY 117 Ca -0.02 0.23 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 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 -6.29 0.40 0.04 1.61 3.52 -1.26 -0.12 118.95 116.86 1xpn s ARG 118 Ca 0.56 -0.56 0.02 0.00 -0.13 0.00 0.00 55.73 55.61 1xpn s ARG 118 Cb -0.26 -0.17 -0.02 0.00 -1.56 0.00 0.00 34.95 32.94 1xpn s ARG 118 CO 0.69 0.03 -0.06 -0.59 -0.81 0.00 0.00 175.30 174.56 1xpn s PHE 119 N -1.10 0.58 -0.04 5.12 -0.71 0.81 -4.47 117.98 118.17 1xpn s PHE 119 Ca -0.09 -0.54 0.01 0.00 -1.04 0.00 0.00 56.93 55.26 1xpn s PHE 119 Cb -0.08 -0.36 0.02 0.00 -1.21 0.00 0.00 43.02 41.40 1xpn s PHE 119 CO -0.00 -0.12 -0.02 0.16 -1.34 0.00 0.00 175.22 173.90 1xpn s ASP 120 N -1.66 0.73 0.12 1.98 -4.77 -1.26 -0.34 116.67 111.46 1xpn s ASP 120 Ca -0.10 -0.08 0.09 0.00 -3.30 0.00 0.00 52.55 49.16 1xpn s ASP 120 Cb -0.09 -0.35 -0.04 0.00 -1.09 0.00 0.00 42.92 41.36 1xpn s ASP 120 CO -0.00 -0.08 -0.19 -0.36 0.70 0.00 0.00 175.17 175.24 1xpn s PHE 121 N 0.98 2.52 0.31 2.11 0.08 0.45 -4.96 117.98 119.48 1xpn s PHE 121 Ca -0.10 -0.27 -0.11 0.00 0.12 0.00 0.00 56.93 56.56 1xpn s PHE 121 Cb -0.14 -1.34 0.01 0.00 -0.57 0.00 0.00 43.02 40.99 1xpn s PHE 121 CO -0.01 0.38 0.57 0.16 -0.10 0.00 0.00 175.22 176.23 1xpn s ASP 122 N -2.14 0.21 -1.33 1.36 -4.77 -1.25 -0.07 116.67 108.67 1xpn s ASP 122 Ca 0.18 -1.11 -0.07 0.00 -3.30 0.00 0.00 52.55 48.25 1xpn s ASP 122 Cb -0.11 0.68 0.01 0.00 -1.09 0.00 0.00 42.92 42.42 1xpn s ASP 122 CO 0.10 -1.33 1.14 1.41 0.70 0.00 0.00 175.17 177.19 1xpn n HIS 123 N -0.48 -2.74 -3.96 2.11 8.25 -1.23 -4.94 115.22 112.23 1xpn n HIS 123 Ca -0.03 1.00 -0.35 0.00 -0.26 0.00 0.00 57.72 58.08 1xpn n HIS 123 Cb 0.61 -5.03 -0.13 0.00 1.12 0.00 0.00 29.99 26.56 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 3.66 0.54 1.59 1.01 -1.22 -4.10 121.20 119.35 1xpn s ILE 124 Ca 0.47 -0.40 -0.22 0.00 0.00 0.00 0.00 60.65 60.50 1xpn s ILE 124 Cb -0.21 -2.67 -0.05 0.00 0.01 0.00 0.00 42.46 39.55 1xpn s ILE 124 CO 0.73 0.41 1.33 -2.16 0.00 0.00 0.00 174.94 175.25 1xpn s PRO 125 N 1.33 3.20 -0.05 2.79 0.04 -1.25 -0.45 135.00 140.61 1xpn s PRO 125 Ca 0.04 2.16 -0.30 0.00 0.04 0.00 0.00 61.00 62.94 1xpn s PRO 125 Cb -0.14 -2.26 -0.08 0.00 0.04 0.00 0.00 34.50 32.06 1xpn s PRO 125 CO -0.00 -1.12 2.05 0.09 0.04 0.00 0.00 177.00 178.06 1xpn n ASN 126 N -0.99 3.87 -3.38 6.66 4.13 -1.26 -4.86 115.26 119.42 1xpn n ASN 126 Ca 0.10 0.68 0.04 0.00 1.68 0.00 0.00 54.58 57.08 1xpn n ASN 126 Cb 0.46 -1.53 0.01 0.00 -1.54 0.00 0.00 39.78 37.17 1xpn n ASN 126 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xpn n GLY 127 N 4.94 0.15 3.64 7.41 0.00 -0.26 -4.97 105.19 116.10 1xpn n GLY 127 Ca 0.23 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.00 5.10 0.24 2.61 2.01 -1.26 -0.18 115.64 122.16 1xpn s THR 128 Ca 0.26 0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.38 1xpn s THR 128 Cb -0.00 -3.36 -0.05 0.00 0.01 0.00 0.00 72.50 69.10 1xpn s THR 128 CO -0.02 0.38 -0.00 -0.31 -0.69 0.00 0.00 174.62 173.98 1xpn s TYR 129 N 0.88 1.63 -0.08 4.92 1.51 0.78 -1.62 117.35 125.37 1xpn s TYR 129 Ca 0.06 -0.91 0.02 0.00 -1.01 0.00 0.00 57.07 55.23 1xpn s TYR 129 Cb -0.13 -0.96 -0.02 0.00 -0.11 0.00 0.00 41.96 40.74 1xpn s TYR 129 CO 0.03 -0.01 -0.14 0.71 -1.11 0.00 0.00 175.55 175.03 1xpn s TYR 130 N -3.38 2.74 -0.41 2.71 2.02 0.13 -0.89 117.35 120.28 1xpn s TYR 130 Ca 0.29 -0.37 -0.16 0.00 -0.37 0.00 0.00 57.07 56.47 1xpn s TYR 130 Cb 0.06 -1.71 0.02 0.00 -0.40 0.00 0.00 41.96 39.92 1xpn s TYR 130 CO 0.10 0.02 0.34 0.42 -1.57 0.00 0.00 175.55 174.85 1xpn s ILE 131 N -0.28 5.20 -0.28 2.71 1.01 -0.28 -1.40 121.20 127.88 1xpn s ILE 131 Ca 0.02 -0.52 -0.07 0.00 0.00 0.00 0.00 60.65 60.08 1xpn s ILE 131 Cb -0.13 -3.95 -0.00 0.00 0.01 0.00 0.00 42.46 38.39 1xpn s ILE 131 CO 0.03 -0.32 0.07 -0.94 0.00 0.00 0.00 174.94 173.77 1xpn s SER 132 N 1.72 5.08 -0.02 3.58 1.04 0.51 -1.38 113.70 124.24 1xpn s SER 132 Ca 0.07 -0.53 0.01 0.00 0.48 0.00 0.00 55.95 55.98 1xpn s SER 132 Cb -0.18 -1.89 0.02 0.00 0.10 0.00 0.00 66.02 64.07 1xpn s SER 132 CO 0.11 -0.13 -0.02 -0.55 0.98 0.00 0.00 173.24 173.63 1xpn s SER 133 N 1.54 0.51 -0.74 7.02 0.15 -0.39 -0.68 113.70 121.10 1xpn s SER 133 Ca 0.04 -0.06 -0.14 0.00 0.70 0.00 0.00 55.95 56.50 1xpn s SER 133 Cb -0.16 -0.22 0.19 0.00 -1.71 0.00 0.00 66.02 64.12 1xpn s SER 133 CO 0.02 -0.05 0.68 -1.83 1.20 0.00 0.00 173.24 173.26 1xpn s GLU 134 N 0.69 3.38 -0.32 5.44 -1.05 -1.25 -0.05 118.70 125.53 1xpn s GLU 134 Ca -0.07 -2.27 -0.02 0.00 -0.15 0.00 0.00 54.97 52.45 1xpn s GLU 134 Cb -0.11 -4.35 0.06 0.00 -0.44 0.00 0.00 34.13 29.30 1xpn s GLU 134 CO -0.01 -1.29 0.04 -1.17 0.95 0.00 0.00 175.26 173.78 1xpn s LEU 135 N 0.52 4.14 0.11 1.83 2.96 0.30 -4.78 118.68 123.77 1xpn s LEU 135 Ca 0.14 -1.41 0.08 0.00 -0.22 0.00 0.00 54.13 52.72 1xpn s LEU 135 Cb -0.16 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 1xpn s LEU 135 CO -0.06 -0.31 -0.19 0.28 -1.32 0.00 0.00 176.35 174.75 1xpn s THR 136 N 1.23 1.64 0.02 3.68 -1.32 -1.26 -1.07 115.64 118.57 1xpn s THR 136 Ca -0.03 -1.60 -0.09 0.00 -1.21 0.00 0.00 61.69 58.77 1xpn s THR 136 Cb -0.20 -1.56 0.00 0.00 -1.51 0.00 0.00 72.50 69.24 1xpn s THR 136 CO -0.02 -0.15 0.18 -1.66 -2.21 0.00 0.00 174.62 170.77 1xpn s TRP 137 N -1.40 0.04 -0.41 9.09 -2.14 -0.47 -4.96 118.94 118.70 1xpn s TRP 137 Ca 0.07 -0.21 -0.13 0.00 2.66 0.00 0.00 56.10 58.50 1xpn s TRP 137 Cb -0.09 -0.04 0.04 0.00 -3.10 0.00 0.00 33.47 30.29 1xpn s TRP 137 CO 0.04 -0.38 0.27 -1.54 -2.66 0.00 0.00 176.95 172.69 1xpn s SER 138 N -1.82 5.90 -0.10 -2.66 1.04 -1.26 -0.52 113.70 114.28 1xpn s SER 138 Ca -0.09 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.26 1xpn s SER 138 Cb -0.03 -2.09 -0.02 0.00 0.10 0.00 0.00 66.02 63.98 1xpn s SER 138 CO -0.02 -0.47 -0.11 0.00 0.98 0.00 0.00 173.24 173.62 1xpn s ALA 139 N 1.59 2.73 -0.60 5.32 0.00 0.12 -4.85 121.76 126.07 1xpn s ALA 139 Ca 0.03 -0.90 -0.27 0.00 0.00 0.00 0.00 51.96 50.82 1xpn s ALA 139 Cb -0.20 -1.20 0.03 0.00 0.00 0.00 0.00 23.12 21.75 1xpn s ALA 139 CO 0.07 0.37 1.15 -0.65 0.00 0.00 0.00 175.76 176.70 1xpn s GLN 140 N -0.08 3.42 -0.37 0.00 -0.21 -1.26 -0.34 119.66 120.81 1xpn s GLN 140 Ca -0.01 0.04 -0.17 0.00 0.02 0.00 0.00 55.36 55.24 1xpn s GLN 140 Cb -0.14 -4.05 0.00 0.00 1.00 0.00 0.00 33.01 29.82 1xpn s GLN 140 CO 0.03 -1.73 0.44 0.45 -2.12 0.00 0.00 175.29 172.36 1xpn s SER 141 N 3.09 6.22 0.00 5.90 0.15 0.25 -4.80 113.70 124.51 1xpn s SER 141 Ca 0.39 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1xpn s SER 141 Cb -0.09 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 1xpn s SER 141 CO 0.22 -0.47 0.00 0.47 1.20 0.00 0.00 173.24 174.66 1xpn n ASP 142 N 5.58 0.00 0.00 5.45 8.00 -1.26 -1.19 116.55 133.13 1xpn n ASP 142 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1xpn n ASP 142 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 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 0.00 -0.60 3.13 0.44 0.00 -1.26 -5.06 105.19 101.84 1xpn n GLY 143 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.03 2.85 -0.48 1.61 2.20 -0.33 -5.08 119.74 120.48 1xpn s LYS 144 Ca 0.00 -0.79 -0.29 0.00 -0.36 0.00 0.00 55.97 54.54 1xpn s LYS 144 Cb 0.00 -2.37 0.02 0.00 -1.51 0.00 0.00 37.83 33.97 1xpn s LYS 144 CO 0.00 -0.08 1.33 0.99 -0.36 0.00 0.00 175.35 177.23 1xpn s THR 145 N 0.99 3.95 0.21 3.43 2.01 -1.26 -0.58 115.64 124.39 1xpn s THR 145 Ca -0.03 0.92 0.06 0.00 0.31 0.00 0.00 61.69 62.95 1xpn s THR 145 Cb -0.15 -4.40 -0.04 0.00 0.01 0.00 0.00 72.50 67.92 1xpn s THR 145 CO -0.05 -0.97 0.16 0.27 -0.69 0.00 0.00 174.62 173.34 1xpn s ILE 146 N 5.34 4.43 -0.33 1.82 -4.36 0.53 -4.84 121.20 123.80 1xpn s ILE 146 Ca 0.54 -1.26 -0.09 0.00 -0.26 0.00 0.00 60.65 59.58 1xpn s ILE 146 Cb -0.11 -3.33 0.01 0.00 1.25 0.00 0.00 42.46 40.28 1xpn s ILE 146 CO 0.30 -0.23 0.15 -0.89 0.24 0.00 0.00 174.94 174.51 1xpn s THR 147 N -1.95 4.40 0.52 8.37 2.01 -1.26 0.15 115.64 127.89 1xpn s THR 147 Ca 0.32 -0.68 0.06 0.00 0.31 0.00 0.00 61.69 61.70 1xpn s THR 147 Cb -0.09 -3.34 0.03 0.00 0.01 0.00 0.00 72.50 69.10 1xpn s THR 147 CO 0.24 -0.05 0.38 -1.61 -0.69 0.00 0.00 174.62 172.89 1xpn s GLU 148 N 1.55 2.28 0.41 4.92 2.02 0.32 -4.89 118.70 125.32 1xpn s GLU 148 Ca 0.03 -1.96 0.00 0.00 0.02 0.00 0.00 54.97 53.06 1xpn s GLU 148 Cb -0.18 -2.11 0.00 0.00 0.10 0.00 0.00 34.13 31.94 1xpn s GLU 148 CO 0.05 -0.54 0.00 0.41 0.02 0.00 0.00 175.26 175.21 1xpn n GLY 149 N -1.70 1.01 0.00 -1.39 0.00 -1.26 -1.37 105.19 100.48 1xpn n GLY 149 Ca -0.01 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 0.44 3.21 -0.02 0.00 -0.23 -0.73 105.19 107.86 1xpn n GLY 150 Ca 0.00 -1.68 -0.39 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.39 3.86 -0.10 2.61 2.01 0.12 -0.54 115.64 121.22 1xpn s THR 151 Ca 0.00 -1.67 -0.20 0.00 0.31 0.00 0.00 61.69 60.13 1xpn s THR 151 Cb 0.00 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 1xpn s THR 151 CO 0.00 -0.59 0.54 0.54 -0.69 0.00 0.00 174.62 174.42 1xpn s VAL 152 N 1.32 5.15 -0.18 3.82 0.11 0.92 0.50 120.40 132.04 1xpn s VAL 152 Ca 0.04 1.09 0.01 0.00 -2.93 0.00 0.00 61.98 60.20 1xpn s VAL 152 Cb -0.23 -3.88 0.02 0.00 -1.53 0.00 0.00 36.38 30.76 1xpn s VAL 152 CO -0.01 0.31 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.98 1xpn s THR 153 N 0.67 2.03 -0.02 5.04 2.01 -1.25 -1.27 115.64 122.86 1xpn s THR 153 Ca 0.29 -0.92 0.02 0.00 0.31 0.00 0.00 61.69 61.39 1xpn s THR 153 Cb -0.16 -1.83 -0.03 0.00 0.01 0.00 0.00 72.50 70.48 1xpn s THR 153 CO 0.12 0.54 -0.06 -0.54 -0.69 0.00 0.00 174.62 173.99 1xpn s LYS 154 N 1.29 2.63 -0.55 4.92 1.02 -0.48 -4.58 119.74 124.00 1xpn s LYS 154 Ca 0.05 -0.66 -0.21 0.00 0.02 0.00 0.00 55.97 55.16 1xpn s LYS 154 Cb -0.13 -2.55 0.06 0.00 -0.52 0.00 0.00 37.83 34.69 1xpn s LYS 154 CO -0.13 0.62 0.77 -1.17 -0.92 0.00 0.00 175.35 174.53 1xpn s LEU 155 N -1.27 4.68 -0.35 3.17 2.96 -1.26 -1.13 118.68 125.47 1xpn s LEU 155 Ca 0.16 -0.81 -0.04 0.00 -0.22 0.00 0.00 54.13 53.22 1xpn s LEU 155 Cb -0.11 -2.54 0.07 0.00 0.50 0.00 0.00 46.19 44.11 1xpn s LEU 155 CO 0.06 -1.09 0.11 -0.69 -1.32 0.00 0.00 176.35 173.42 1xpn s VAL 156 N 3.22 3.35 -0.66 1.68 1.01 -0.07 -5.00 120.40 123.94 1xpn s VAL 156 Ca 0.20 -1.55 -0.16 0.00 0.00 0.00 0.00 61.98 60.48 1xpn s VAL 156 Cb -0.17 -3.05 0.16 0.00 0.00 0.00 0.00 36.38 33.31 1xpn s VAL 156 CO 0.13 -0.34 0.63 0.28 0.00 0.00 0.00 175.10 175.80 1xpn s THR 157 N 1.26 5.29 -1.10 3.92 -1.32 -1.26 -0.16 115.64 122.27 1xpn s THR 157 Ca 0.01 -1.78 -0.20 0.00 -1.21 0.00 0.00 61.69 58.51 1xpn s THR 157 Cb -0.21 -4.41 0.08 0.00 -1.51 0.00 0.00 72.50 66.44 1xpn s THR 157 CO -0.01 -0.97 1.49 -0.69 -2.21 0.00 0.00 174.62 172.23 1xpn s VAL 158 N 1.27 4.18 -0.68 5.08 1.01 0.75 -4.77 120.40 127.23 1xpn s VAL 158 Ca 0.10 -1.36 0.09 0.00 0.00 0.00 0.00 61.98 60.81 1xpn s VAL 158 Cb -0.22 -5.05 0.48 0.00 0.00 0.00 0.00 36.38 31.60 1xpn s VAL 158 CO -0.01 -1.88 1.26 -0.24 0.00 0.00 0.00 175.10 174.22 1xpn n SER 159 N 8.17 3.72 -3.56 3.32 2.88 -1.26 -1.11 113.62 125.78 1xpn n SER 159 Ca 0.37 -2.51 -0.14 0.00 -1.33 0.00 0.00 58.87 55.26 1xpn n SER 159 Cb 0.49 -0.59 -0.06 0.00 -0.75 0.00 0.00 64.21 63.30 1xpn n SER 159 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1xpn s GLY 160 N -0.51 -0.40 -1.40 0.46 0.00 -1.26 -5.01 107.32 99.19 1xpn s GLY 160 Ca 0.32 1.81 -0.08 0.00 0.00 0.00 0.00 44.72 46.78 1xpn s GLY 160 CO 0.10 1.14 2.73 1.44 0.00 0.00 0.00 173.10 178.51 1xpn n SER 161 N 1.10 8.28 -4.57 1.64 7.64 -1.26 -4.67 113.62 121.78 1xpn n SER 161 Ca -0.14 -2.84 -0.24 0.00 1.01 0.00 0.00 58.87 56.66 1xpn n SER 161 Cb 0.57 -1.46 -0.09 0.00 -1.01 0.00 0.00 64.21 62.22 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 0.55 1.96 -0.55 1.43 -0.21 -1.26 -4.75 119.66 116.82 1xpn s GLN 162 Ca 0.63 -1.72 -0.27 0.00 0.02 0.00 0.00 55.36 54.02 1xpn s GLN 162 Cb 0.19 -1.89 -0.02 0.00 1.00 0.00 0.00 33.01 32.29 1xpn s GLN 162 CO -0.08 0.24 1.82 -2.14 -2.12 0.00 0.00 175.29 173.01 1xpn s PRO 163 N -3.63 2.81 -0.31 2.91 0.02 -1.25 -2.56 135.00 133.00 1xpn s PRO 163 Ca 0.32 0.76 -0.16 0.00 0.02 0.00 0.00 61.00 61.94 1xpn s PRO 163 Cb -0.03 -4.33 -0.02 0.00 0.02 0.00 0.00 34.50 30.14 1xpn s PRO 163 CO 0.18 -2.51 0.43 -0.65 -0.33 0.00 0.00 177.00 174.12 1xpn s GLN 164 N 6.67 3.80 -0.44 5.54 -1.52 0.13 -4.88 119.66 128.97 1xpn s GLN 164 Ca 0.69 -0.08 -0.29 0.00 -1.95 0.00 0.00 55.36 53.72 1xpn s GLN 164 Cb -0.14 -3.73 0.03 0.00 -0.22 0.00 0.00 33.01 28.94 1xpn s GLN 164 CO 0.24 -0.45 1.14 0.21 -0.25 0.00 0.00 175.29 176.18 1xpn s LYS 165 N 2.19 3.79 -0.28 2.91 2.20 -1.26 0.04 119.74 129.33 1xpn s LYS 165 Ca 0.16 0.70 0.03 0.00 -0.36 0.00 0.00 55.97 56.50 1xpn s LYS 165 Cb -0.16 -3.88 0.07 0.00 -1.51 0.00 0.00 37.83 32.35 1xpn s LYS 165 CO 0.11 -1.29 -0.06 0.08 -0.36 0.00 0.00 175.35 173.84 1xpn s VAL 166 N 4.34 2.30 -0.42 4.02 1.01 0.44 -4.98 120.40 127.12 1xpn s VAL 166 Ca 0.48 -1.78 -0.29 0.00 0.00 0.00 0.00 61.98 60.40 1xpn s VAL 166 Cb -0.09 -2.44 0.02 0.00 0.00 0.00 0.00 36.38 33.87 1xpn s VAL 166 CO 0.28 -0.18 1.27 -0.76 0.00 0.00 0.00 175.10 175.72 1xpn s LEU 167 N 1.07 3.66 -1.08 3.92 1.43 -1.26 -1.36 118.68 125.06 1xpn s LEU 167 Ca -0.04 0.75 -0.22 0.00 -1.03 0.00 0.00 54.13 53.59 1xpn s LEU 167 Cb -0.20 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.53 1xpn s LEU 167 CO -0.05 -1.29 1.52 -0.22 0.23 0.00 0.00 176.35 176.54 1xpn s LEU 168 N 4.83 3.56 0.38 1.79 2.96 0.60 -4.84 118.68 127.96 1xpn s LEU 168 Ca 0.55 -1.64 -0.13 0.00 -0.22 0.00 0.00 54.13 52.69 1xpn s LEU 168 Cb -0.11 -2.57 0.04 0.00 0.50 0.00 0.00 46.19 44.05 1xpn s LEU 168 CO 0.30 -1.47 0.72 0.28 -1.32 0.00 0.00 176.35 174.86 1xpn s THR 169 N 4.96 0.00 -2.00 3.68 -1.32 -1.26 -2.49 115.64 117.20 1xpn s THR 169 Ca 0.48 -1.13 0.32 0.00 -1.21 0.00 0.00 61.69 60.15 1xpn s THR 169 Cb 0.01 -2.83 0.90 0.00 -1.51 0.00 0.00 72.50 69.07 1xpn s THR 169 CO -0.06 0.00 2.22 -1.14 -2.21 0.00 0.00 174.62 173.43