#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpn h SER 2 N 0.00 -0.39 -4.83 1.61 0.02 -2.12 -3.49 113.55 104.36 1xpn h SER 2 Ca 0.00 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1xpn h SER 2 Cb 0.00 0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1xpn h SER 2 CO 0.00 -0.12 -0.79 -0.24 -1.14 0.00 0.00 176.83 174.53 1xpn n SER 3 N -5.21 -7.13 -4.54 3.07 2.88 -1.26 -4.95 113.62 96.49 1xpn n SER 3 Ca -0.10 1.13 -0.43 0.00 -1.33 0.00 0.00 58.87 58.14 1xpn n SER 3 Cb 0.25 -4.70 -0.05 0.00 -0.75 0.00 0.00 64.21 58.96 1xpn n SER 3 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1xpn s HIS 4 N -1.51 2.94 0.33 0.66 5.65 -1.26 -5.00 115.29 117.10 1xpn s HIS 4 Ca 0.03 0.14 0.08 0.00 0.25 0.00 0.00 55.06 55.55 1xpn s HIS 4 Cb -0.01 -3.80 -0.03 0.00 -1.18 0.00 0.00 32.58 27.56 1xpn s HIS 4 CO 0.67 -1.09 0.27 -2.39 -0.65 0.00 0.00 174.74 171.55 1xpn n HIS 5 N 6.94 -0.74 -2.71 3.88 -0.00 -1.26 -5.18 115.22 116.15 1xpn n HIS 5 Ca 0.03 -2.78 0.00 0.00 -0.00 0.00 0.00 57.72 54.96 1xpn n HIS 5 Cb 0.48 0.27 0.00 0.00 -0.00 0.00 0.00 29.99 30.74 1xpn n HIS 5 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1xpn n HIS 6 N -0.65 -0.08 -2.35 -1.40 -0.00 -1.26 -5.09 115.22 104.40 1xpn n HIS 6 Ca 0.07 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.38 1xpn n HIS 6 Cb 0.60 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.56 1xpn n HIS 6 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1xpn s HIS 7 N 1.25 3.40 0.14 4.41 4.02 -1.26 -4.92 115.29 122.33 1xpn s HIS 7 Ca 0.00 1.39 0.18 0.00 1.02 0.00 0.00 55.06 57.64 1xpn s HIS 7 Cb 0.00 -3.46 0.58 0.00 -1.02 0.00 0.00 32.58 28.68 1xpn s HIS 7 CO 0.00 -1.32 1.69 1.25 1.02 0.00 0.00 174.74 177.38 1xpn h HIS 8 N 5.30 0.00 -2.85 1.40 -0.00 -2.07 -3.40 115.15 113.53 1xpn h HIS 8 Ca -0.44 0.00 -0.32 0.00 -0.00 0.00 0.00 60.37 59.61 1xpn h HIS 8 Cb 1.21 0.00 -0.36 0.00 -0.00 0.00 0.00 27.41 28.26 1xpn h HIS 8 CO 0.62 0.41 -0.64 -1.58 -0.00 0.00 0.00 177.93 176.75 1xpn s HIS 9 N -3.52 -0.19 -0.23 5.26 2.46 -1.26 -5.12 115.29 112.69 1xpn s HIS 9 Ca 0.00 0.37 -0.29 0.00 0.47 0.00 0.00 55.06 55.62 1xpn s HIS 9 Cb 0.11 -0.34 -0.02 0.00 -0.13 0.00 0.00 32.58 32.20 1xpn s HIS 9 CO 0.70 -0.44 1.43 -1.12 -2.47 0.00 0.00 174.74 172.84 1xpn s SER 10 N 2.30 6.63 -0.05 9.88 0.01 -1.26 -4.86 113.70 126.34 1xpn s SER 10 Ca 0.04 1.53 0.08 0.00 1.31 0.00 0.00 55.95 58.91 1xpn s SER 10 Cb -0.14 -2.54 0.15 0.00 0.21 0.00 0.00 66.02 63.71 1xpn s SER 10 CO -0.09 -1.06 1.10 -1.20 0.41 0.00 0.00 173.24 172.40 1xpn n SER 11 N 7.65 2.32 0.00 2.44 7.64 -1.26 -5.09 113.62 127.32 1xpn n SER 11 Ca 0.16 -2.40 0.00 0.00 1.01 0.00 0.00 58.87 57.64 1xpn n SER 11 Cb 0.45 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 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 -0.69 1.92 0.09 0.23 0.00 -1.26 -3.87 105.19 101.61 1xpn n GLY 12 Ca 0.07 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 1xpn n GLY 12 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xpn n LEU 13 N 0.00 1.85 -3.60 0.99 7.94 -1.26 -5.01 117.00 117.91 1xpn n LEU 13 Ca 0.00 0.51 -0.03 0.00 -1.11 0.00 0.00 56.01 55.39 1xpn n LEU 13 Cb 0.00 -0.89 -0.05 0.00 0.53 0.00 0.00 43.42 43.00 1xpn n LEU 13 CO 0.00 -0.11 0.43 0.54 -1.11 0.00 0.00 177.39 177.14 1xpn s VAL 14 N -2.36 -0.43 0.35 1.96 0.11 -1.25 -5.16 120.40 113.62 1xpn s VAL 14 Ca -0.23 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.55 1xpn s VAL 14 Cb 0.05 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.80 1xpn s VAL 14 CO 0.39 0.00 1.24 -2.16 -3.33 0.00 0.00 175.10 171.24 1xpn s PRO 15 N 2.16 4.27 -0.23 1.54 0.04 -1.26 -4.44 135.00 137.07 1xpn s PRO 15 Ca -0.07 2.06 -0.01 0.00 0.04 0.00 0.00 61.00 63.02 1xpn s PRO 15 Cb -0.07 -2.95 0.00 0.00 0.04 0.00 0.00 34.50 31.52 1xpn s PRO 15 CO -0.18 -0.21 0.04 0.54 0.04 0.00 0.00 177.00 177.23 1xpn n ARG 16 N 0.58 -2.47 -0.76 4.56 1.74 -1.26 -5.07 116.66 113.98 1xpn n ARG 16 Ca 0.01 2.12 0.00 0.00 -0.77 0.00 0.00 57.85 59.22 1xpn n ARG 16 Cb 0.44 -4.20 0.00 0.00 -1.02 0.00 0.00 32.46 27.67 1xpn n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xpn n GLY 17 N 0.44 1.27 0.00 -0.13 0.00 -1.26 -5.19 105.19 100.32 1xpn n GLY 17 Ca 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.17 0.00 0.00 1.61 7.64 -1.26 -4.75 113.62 116.70 1xpn n SER 18 Ca 0.00 -0.99 0.00 0.00 1.01 0.00 0.00 58.87 58.89 1xpn n SER 18 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1xpn n SER 18 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1xpn n HIS 19 N 0.00 0.00 -3.45 1.43 8.25 -0.92 -4.95 115.22 115.58 1xpn n HIS 19 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.18 1xpn n HIS 19 Cb 0.00 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.00 1xpn n HIS 19 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1xpn s MET 20 N 0.04 0.88 0.00 -0.41 1.00 -1.26 -4.84 119.30 114.72 1xpn s MET 20 Ca 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 55.69 53.77 1xpn s MET 20 Cb 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 34.83 33.32 1xpn s MET 20 CO 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 175.02 173.70 1xpn n ALA 21 N 3.20 0.00 -2.18 3.03 0.00 -1.26 -4.93 120.51 118.37 1xpn n ALA 21 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.25 1xpn n ALA 21 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.86 1xpn n ALA 21 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xpn s SER 22 N 0.00 6.82 0.40 0.00 1.04 -1.26 -5.01 113.70 115.68 1xpn s SER 22 Ca 0.00 2.18 -0.23 0.00 0.48 0.00 0.00 55.95 58.38 1xpn s SER 22 Cb 0.00 -2.56 -0.10 0.00 0.10 0.00 0.00 66.02 63.46 1xpn s SER 22 CO 0.00 -0.73 1.00 0.54 0.98 0.00 0.00 173.24 175.02 1xpn s ASN 23 N 1.88 6.91 -0.16 7.02 4.22 -1.26 -2.17 114.94 131.38 1xpn s ASN 23 Ca 0.65 1.89 0.08 0.00 -2.14 0.00 0.00 52.86 53.34 1xpn s ASN 23 Cb -0.33 -2.57 0.50 0.00 1.28 0.00 0.00 41.25 40.13 1xpn s ASN 23 CO 0.28 -0.38 1.30 -0.81 -2.04 0.00 0.00 177.10 175.45 1xpn n PRO 24 N -0.14 3.22 0.29 3.55 -0.04 -1.26 -4.44 135.00 136.17 1xpn n PRO 24 Ca 0.05 -1.93 -0.16 0.00 -0.04 0.00 0.00 63.50 61.43 1xpn n PRO 24 Cb 0.51 -1.95 -0.08 0.00 -0.04 0.00 0.00 33.50 31.94 1xpn n PRO 24 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1xpn h ASN 25 N 2.25 -0.61 -0.96 3.54 2.35 -1.93 -3.46 115.58 116.75 1xpn h ASN 25 Ca 0.04 -0.04 -0.37 0.00 -0.55 0.00 0.00 56.30 55.38 1xpn h ASN 25 Cb 1.50 0.16 -0.14 0.00 0.05 0.00 0.00 38.32 39.88 1xpn h ASN 25 CO 0.35 -0.32 -0.35 -0.67 -1.65 0.00 0.00 177.43 174.79 1xpn n ASP 26 N -5.34 -5.21 -0.08 5.81 2.03 -1.26 -4.53 116.55 107.97 1xpn n ASP 26 Ca -0.12 0.43 -0.13 0.00 0.52 0.00 0.00 54.79 55.49 1xpn n ASP 26 Cb 0.32 -4.32 -0.07 0.00 -0.72 0.00 0.00 41.12 36.33 1xpn n ASP 26 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1xpn h LEU 27 N 0.00 0.00-10.00 -2.67 6.46 -1.90 -3.47 115.31 103.72 1xpn h LEU 27 Ca -0.38 -0.34 -0.49 0.00 -0.12 0.00 0.00 57.88 56.55 1xpn h LEU 27 Cb 1.20 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.11 1xpn h LEU 27 CO 0.55 1.09 0.14 -2.16 -0.62 0.00 0.00 178.44 177.44 1xpn s PRO 28 N -2.22 4.08 0.05 5.25 0.04 -1.26 -4.78 135.00 136.15 1xpn s PRO 28 Ca -0.20 0.78 -0.09 0.00 0.04 0.00 0.00 61.00 61.53 1xpn s PRO 28 Cb 0.03 -2.45 -0.31 0.00 0.04 0.00 0.00 34.50 31.81 1xpn s PRO 28 CO 0.42 0.15 1.05 0.22 0.04 0.00 0.00 177.00 178.88 1xpn h ASP 29 N 2.34 0.60 -3.53 6.66 3.58 -1.91 -3.46 116.42 120.69 1xpn h ASP 29 Ca -0.48 -0.66 -0.50 0.00 0.42 0.00 0.00 57.03 55.81 1xpn h ASP 29 Cb 1.18 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 42.04 1xpn h ASP 29 CO 0.65 1.52 0.04 -0.36 -2.88 0.00 0.00 179.24 178.20 1xpn s PHE 30 N -2.63 3.48 0.19 0.28 0.08 -1.26 -5.02 117.98 113.10 1xpn s PHE 30 Ca -0.07 0.90 -0.33 0.00 0.12 0.00 0.00 56.93 57.56 1xpn s PHE 30 Cb 0.06 -2.33 -0.13 0.00 -0.57 0.00 0.00 43.02 40.05 1xpn s PHE 30 CO 0.91 -0.03 1.57 -0.35 -0.10 0.00 0.00 175.22 177.21 1xpn n PRO 31 N -1.27 2.25 -0.53 0.24 -0.04 -1.26 -4.75 135.00 129.64 1xpn n PRO 31 Ca 0.01 0.81 0.05 0.00 -0.04 0.00 0.00 63.50 64.33 1xpn n PRO 31 Cb 0.54 -2.57 0.26 0.00 -0.04 0.00 0.00 33.50 31.69 1xpn n PRO 31 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1xpn n GLU 32 N 3.18 3.33 0.18 0.54 0.28 -1.26 -4.41 120.64 122.48 1xpn n GLU 32 Ca 0.15 -2.03 0.17 0.00 -0.16 0.00 0.00 57.16 55.29 1xpn n GLU 32 Cb 0.31 -1.90 0.64 0.00 1.43 0.00 0.00 31.44 31.91 1xpn n GLU 32 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1xpn h HIS 33 N 2.68 0.00 0.00 -1.84 2.76 -2.02 -2.70 115.15 114.04 1xpn h HIS 33 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1xpn h HIS 33 Cb 1.34 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.30 1xpn h HIS 33 CO 0.66 0.00 0.00 0.39 -1.30 0.00 0.00 177.93 177.68 1xpn n GLU 34 N -3.17 0.00 -0.28 5.26 -0.58 -1.26 -1.58 120.64 119.04 1xpn n GLU 34 Ca 0.05 0.38 -0.05 0.00 -0.42 0.00 0.00 57.16 57.11 1xpn n GLU 34 Cb 0.69 -1.50 0.06 0.00 -0.57 0.00 0.00 31.44 30.12 1xpn n GLU 34 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 1xpn h TYR 35 N 0.00 1.05 -0.53 -0.32 0.05 -1.87 -2.16 116.97 113.19 1xpn h TYR 35 Ca 0.00 -0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.67 1xpn h TYR 35 Cb 0.11 -0.33 -0.05 0.00 1.01 0.00 0.00 36.73 37.47 1xpn h TYR 35 CO 0.00 0.74 0.10 0.00 -1.05 0.00 0.00 178.16 177.95 1xpn n ALA 36 N -2.36 3.89 -0.07 3.88 0.00 -0.62 -3.90 120.51 121.33 1xpn n ALA 36 Ca 0.07 -1.70 -0.08 0.00 0.00 0.00 0.00 53.44 51.74 1xpn n ALA 36 Cb 0.10 -1.15 -0.09 0.00 0.00 0.00 0.00 19.45 18.30 1xpn n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xpn n ALA 37 N 0.26 1.68 -2.60 0.00 0.00 -0.83 -4.82 120.51 114.20 1xpn n ALA 37 Ca 0.27 -0.80 -0.42 0.00 0.00 0.00 0.00 53.44 52.49 1xpn n ALA 37 Cb 1.10 0.02 -0.01 0.00 0.00 0.00 0.00 19.45 20.55 1xpn n ALA 37 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1xpn s THR 38 N -2.31 4.08 -0.06 0.00 -1.32 -1.12 -4.89 115.64 110.03 1xpn s THR 38 Ca -0.10 -1.41 -0.02 0.00 -1.21 0.00 0.00 61.69 58.94 1xpn s THR 38 Cb 0.04 -5.11 0.03 0.00 -1.51 0.00 0.00 72.50 65.95 1xpn s THR 38 CO 0.48 -1.96 0.06 -1.10 -2.21 0.00 0.00 174.62 169.90 1xpn s GLN 39 N 4.42 -0.05 0.00 7.08 -0.21 -1.26 -5.07 119.66 124.57 1xpn s GLN 39 Ca 0.49 0.32 0.00 0.00 0.02 0.00 0.00 55.36 56.19 1xpn s GLN 39 Cb 0.02 -0.69 0.00 0.00 1.00 0.00 0.00 33.01 33.34 1xpn s GLN 39 CO -0.01 -0.37 0.00 0.94 -2.12 0.00 0.00 175.29 173.73 1xpn n GLN 40 N 5.30 0.00 -1.51 2.91 7.27 -1.26 -5.10 117.38 124.98 1xpn n GLN 40 Ca -0.04 0.00 -0.47 0.00 0.07 0.00 0.00 57.00 56.56 1xpn n GLN 40 Cb 0.50 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 33.10 1xpn n GLN 40 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 1xpn n VAL 41 N 0.00 0.25 -4.08 1.69 3.14 -1.26 -3.68 118.33 114.39 1xpn n VAL 41 Ca 0.00 -0.36 -0.28 0.00 -2.96 0.00 0.00 64.34 60.74 1xpn n VAL 41 Cb 0.00 -2.07 -0.02 0.00 -1.06 0.00 0.00 33.84 30.70 1xpn n VAL 41 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1xpn s GLY 42 N 7.90 2.54 -0.09 7.55 0.00 -1.26 -4.86 107.32 119.10 1xpn s GLY 42 Ca 1.06 -0.96 0.17 0.00 0.00 0.00 0.00 44.72 44.99 1xpn s GLY 42 CO 0.42 -2.01 1.17 0.61 0.00 0.00 0.00 173.10 173.29 1xpn n GLY 43 N -1.70 2.86 3.55 0.20 0.00 -1.17 -3.07 105.19 105.86 1xpn n GLY 43 Ca -0.06 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.44 0.45 -0.39 -0.02 0.00 -0.64 -4.58 107.32 99.70 1xpn s GLY 44 Ca 0.32 -1.20 -0.29 0.00 0.00 0.00 0.00 44.72 43.55 1xpn s GLY 44 CO -0.10 3.20 1.22 0.14 0.00 0.00 0.00 173.10 177.56 1xpn s VAL 45 N 8.21 4.19 -0.21 1.40 1.01 -1.26 -3.85 120.40 129.88 1xpn s VAL 45 Ca 0.59 1.28 -0.08 0.00 0.00 0.00 0.00 61.98 63.77 1xpn s VAL 45 Cb -0.09 -4.39 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 1xpn s VAL 45 CO 0.11 -0.74 0.08 -0.63 0.00 0.00 0.00 175.10 173.91 1xpn s ILE 46 N 4.48 4.70 -0.39 2.22 1.01 -0.85 -0.15 121.20 132.22 1xpn s ILE 46 Ca 0.52 -0.06 -0.00 0.00 0.00 0.00 0.00 60.65 61.11 1xpn s ILE 46 Cb -0.12 -3.15 0.11 0.00 0.01 0.00 0.00 42.46 39.31 1xpn s ILE 46 CO 0.27 0.41 0.15 0.20 0.00 0.00 0.00 174.94 175.97 1xpn s ASN 47 N 0.84 5.06 -0.13 3.58 -0.87 0.68 -0.14 114.94 123.96 1xpn s ASN 47 Ca 0.04 -2.11 -0.01 0.00 -1.57 0.00 0.00 52.86 49.21 1xpn s ASN 47 Cb -0.14 -1.75 -0.02 0.00 -0.02 0.00 0.00 41.25 39.32 1xpn s ASN 47 CO 0.02 -0.47 -0.10 -0.83 -2.57 0.00 0.00 177.10 173.15 1xpn s GLY 48 N 1.41 1.60 -0.24 0.66 0.00 0.23 -0.13 107.32 110.85 1xpn s GLY 48 Ca 0.10 -0.87 -0.06 0.00 0.00 0.00 0.00 44.72 43.88 1xpn s GLY 48 CO -0.06 -0.22 0.04 -0.35 0.00 0.00 0.00 173.10 172.51 1xpn s ASP 49 N 0.20 4.94 -0.25 1.64 2.15 0.18 -0.37 116.67 125.17 1xpn s ASP 49 Ca -0.06 -0.24 -0.12 0.00 0.43 0.00 0.00 52.55 52.56 1xpn s ASP 49 Cb -0.15 -1.88 -0.05 0.00 -0.30 0.00 0.00 42.92 40.55 1xpn s ASP 49 CO 0.04 -0.02 0.22 -0.22 -0.17 0.00 0.00 175.17 175.02 1xpn s LEU 50 N 1.54 4.09 -0.30 -1.34 2.96 0.23 -1.39 118.68 124.48 1xpn s LEU 50 Ca 0.06 0.16 -0.17 0.00 -0.22 0.00 0.00 54.13 53.96 1xpn s LEU 50 Cb -0.15 -2.20 0.18 0.00 0.50 0.00 0.00 46.19 44.53 1xpn s LEU 50 CO 0.02 -0.00 1.15 -0.72 -1.32 0.00 0.00 176.35 175.48 1xpn s TYR 51 N 1.33 -0.33 -0.22 5.38 1.13 -0.36 -4.33 117.35 119.95 1xpn s TYR 51 Ca 0.10 0.60 -0.11 0.00 -1.41 0.00 0.00 57.07 56.24 1xpn s TYR 51 Cb -0.14 0.20 -0.05 0.00 -1.10 0.00 0.00 41.96 40.87 1xpn s TYR 51 CO 0.07 -0.17 0.20 -0.51 -2.51 0.00 0.00 175.55 172.63 1xpn s LEU 52 N 1.91 4.15 -0.10 -3.49 1.43 -0.00 -3.41 118.68 119.17 1xpn s LEU 52 Ca -0.03 0.22 -0.24 0.00 -1.03 0.00 0.00 54.13 53.05 1xpn s LEU 52 Cb -0.03 -2.18 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 1xpn s LEU 52 CO -0.15 0.07 0.76 -0.89 0.23 0.00 0.00 176.35 176.37 1xpn s THR 53 N 0.91 4.98 0.80 5.49 2.01 -1.26 -2.25 115.64 126.31 1xpn s THR 53 Ca 0.10 1.53 -0.11 0.00 0.31 0.00 0.00 61.69 63.53 1xpn s THR 53 Cb -0.13 -4.09 0.07 0.00 0.01 0.00 0.00 72.50 68.36 1xpn s THR 53 CO 0.04 0.17 1.09 -0.55 -0.69 0.00 0.00 174.62 174.67 1xpn s SER 54 N 0.95 4.31 0.41 3.53 0.15 0.65 -4.89 113.70 118.81 1xpn s SER 54 Ca 0.38 1.73 0.28 0.00 0.70 0.00 0.00 55.95 59.04 1xpn s SER 54 Cb -0.18 -2.43 1.47 0.00 -1.71 0.00 0.00 66.02 63.18 1xpn s SER 54 CO 0.17 -2.14 1.87 0.00 1.20 0.00 0.00 173.24 174.33 1xpn h ALA 55 N -1.20 1.00 0.00 5.45 0.00 -1.97 0.10 119.26 122.64 1xpn h ALA 55 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1xpn h ALA 55 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1xpn h ALA 55 CO 0.52 0.00 -0.10 0.43 0.00 0.00 0.00 179.25 180.11 1xpn n SER 56 N -2.51 0.21 0.00 0.00 7.64 -1.26 -4.90 113.62 112.80 1xpn n SER 56 Ca -0.01 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.25 1xpn n SER 56 Cb 0.09 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 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 1.47 0.96 3.72 0.23 0.00 0.35 -5.04 105.19 106.89 1xpn n GLY 57 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.34 3.59 -0.41 4.61 0.00 -1.26 -4.74 121.76 121.22 1xpn s ALA 58 Ca 0.00 1.15 -0.14 0.00 0.00 0.00 0.00 51.96 52.96 1xpn s ALA 58 Cb 0.00 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.62 1xpn s ALA 58 CO 0.00 -0.61 0.29 0.42 0.00 0.00 0.00 175.76 175.86 1xpn s ILE 59 N 0.73 5.14 -0.43 0.00 1.01 -1.26 -0.25 121.20 126.14 1xpn s ILE 59 Ca 0.62 -0.71 -0.16 0.00 0.00 0.00 0.00 60.65 60.40 1xpn s ILE 59 Cb -0.37 -3.87 0.03 0.00 0.01 0.00 0.00 42.46 38.26 1xpn s ILE 59 CO 0.34 -0.31 0.35 -1.10 0.00 0.00 0.00 174.94 174.22 1xpn s GLN 60 N 1.66 3.00 0.00 2.79 1.11 -0.95 -4.97 119.66 122.28 1xpn s GLN 60 Ca 0.04 -1.05 0.00 0.00 0.01 0.00 0.00 55.36 54.36 1xpn s GLN 60 Cb -0.19 -4.02 0.00 0.00 -1.01 0.00 0.00 33.01 27.79 1xpn s GLN 60 CO 0.09 -0.84 0.38 1.63 0.01 0.00 0.00 175.29 176.56 1xpn n LYS 61 N 5.27 0.00 0.00 2.91 5.02 -1.26 -0.82 118.16 129.28 1xpn n LYS 61 Ca -0.11 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 1xpn n LYS 61 Cb 0.46 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 1xpn n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xpn n GLY 62 N 0.83 0.37 3.72 0.72 0.00 -1.26 -3.57 105.19 106.00 1xpn n GLY 62 Ca 0.00 0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1xpn n GLY 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xpn s THR 63 N 0.00 5.13 -1.58 2.61 2.01 -1.26 -3.82 115.64 118.73 1xpn s THR 63 Ca 0.00 1.15 -0.04 0.00 0.31 0.00 0.00 61.69 63.12 1xpn s THR 63 Cb 0.00 -3.91 0.01 0.00 0.01 0.00 0.00 72.50 68.61 1xpn s THR 63 CO 0.00 0.29 0.43 -3.20 -0.69 0.00 0.00 174.62 171.45 1xpn n ASN 64 N 3.75 -5.83 -4.65 3.53 4.05 0.19 -4.96 115.26 111.33 1xpn n ASN 64 Ca -0.05 -0.21 -0.35 0.00 0.45 0.00 0.00 54.58 54.43 1xpn n ASN 64 Cb 0.51 -4.76 -0.10 0.00 1.23 0.00 0.00 39.78 36.67 1xpn n ASN 64 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1xpn s THR 65 N -3.11 4.51 -0.38 -0.44 2.01 -1.15 -4.90 115.64 112.18 1xpn s THR 65 Ca 0.22 -0.15 -0.21 0.00 0.31 0.00 0.00 61.69 61.86 1xpn s THR 65 Cb -0.10 -2.96 0.01 0.00 0.01 0.00 0.00 72.50 69.46 1xpn s THR 65 CO 0.28 0.54 0.69 -0.54 -0.69 0.00 0.00 174.62 174.89 1xpn s LYS 66 N -0.26 3.59 -0.45 4.92 1.02 -1.26 -0.50 119.74 126.80 1xpn s LYS 66 Ca 0.07 0.02 -0.22 0.00 0.02 0.00 0.00 55.97 55.85 1xpn s LYS 66 Cb -0.12 -3.85 0.03 0.00 -0.52 0.00 0.00 37.83 33.36 1xpn s LYS 66 CO 0.02 -0.85 0.73 0.08 -0.92 0.00 0.00 175.35 174.40 1xpn s VAL 67 N 2.88 4.72 -0.29 3.17 1.01 0.16 -4.57 120.40 127.49 1xpn s VAL 67 Ca 0.26 0.28 -0.13 0.00 0.00 0.00 0.00 61.98 62.39 1xpn s VAL 67 Cb -0.14 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 1xpn s VAL 67 CO 0.17 -0.68 0.28 0.00 0.00 0.00 0.00 175.10 174.87 1xpn s ALA 68 N 3.10 3.53 -0.53 5.51 0.00 -0.36 0.23 121.76 133.24 1xpn s ALA 68 Ca 0.27 -1.06 -0.16 0.00 0.00 0.00 0.00 51.96 51.01 1xpn s ALA 68 Cb -0.13 -2.63 0.12 0.00 0.00 0.00 0.00 23.12 20.49 1xpn s ALA 68 CO 0.21 -0.72 0.48 -1.17 0.00 0.00 0.00 175.76 174.57 1xpn s LEU 69 N 1.89 6.11 0.12 0.00 2.96 0.23 -0.39 118.68 129.60 1xpn s LEU 69 Ca 0.10 -1.75 0.10 0.00 -0.22 0.00 0.00 54.13 52.36 1xpn s LEU 69 Cb -0.16 -2.20 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 1xpn s LEU 69 CO 0.11 -0.83 -0.24 -1.83 -1.32 0.00 0.00 176.35 172.23 1xpn s GLU 70 N 1.59 1.28 0.42 1.98 -1.05 -0.55 -2.60 118.70 119.76 1xpn s GLU 70 Ca 0.03 -1.27 -0.25 0.00 -0.15 0.00 0.00 54.97 53.33 1xpn s GLU 70 Cb -0.29 -1.68 -0.08 0.00 -0.44 0.00 0.00 34.13 31.64 1xpn s GLU 70 CO 0.03 0.39 1.28 -2.14 0.95 0.00 0.00 175.26 175.78 1xpn s PRO 71 N -2.00 3.92 -0.74 -4.83 0.02 -1.26 0.06 135.00 130.17 1xpn s PRO 71 Ca 0.11 2.10 -0.22 0.00 0.02 0.00 0.00 61.00 63.01 1xpn s PRO 71 Cb -0.10 -2.70 0.08 0.00 0.02 0.00 0.00 34.50 31.80 1xpn s PRO 71 CO 0.05 -0.52 1.06 0.00 -0.33 0.00 0.00 177.00 177.26 1xpn s ALA 72 N -1.30 3.09 0.43 -1.55 0.00 -0.51 -4.58 121.76 117.34 1xpn s ALA 72 Ca 0.58 -1.98 0.08 0.00 0.00 0.00 0.00 51.96 50.64 1xpn s ALA 72 Cb -0.37 -3.98 0.01 0.00 0.00 0.00 0.00 23.12 18.78 1xpn s ALA 72 CO 0.47 -2.92 0.52 0.95 0.00 0.00 0.00 175.76 174.78 1xpn s THR 73 N 4.07 2.83 0.57 0.00 -4.23 -1.26 -4.88 115.64 112.73 1xpn s THR 73 Ca 0.27 -1.11 0.26 0.00 -1.18 0.00 0.00 61.69 59.93 1xpn s THR 73 Cb -0.13 -2.94 0.33 0.00 1.34 0.00 0.00 72.50 71.11 1xpn s THR 73 CO 0.06 0.00 2.22 0.77 -0.54 0.00 0.00 174.62 177.13 1xpn h SER 74 N 0.73 0.00 -0.48 3.99 4.64 -1.91 -0.36 113.55 120.16 1xpn h SER 74 Ca -0.40 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.91 1xpn h SER 74 Cb 1.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.34 1xpn h SER 74 CO 0.49 0.01 0.28 0.22 -0.87 0.00 0.00 176.83 176.95 1xpn h TYR 75 N 0.00 0.66 -0.01 4.77 5.03 -1.86 -2.19 116.97 123.38 1xpn h TYR 75 Ca -0.00 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1xpn h TYR 75 Cb 0.02 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 38.08 1xpn h TYR 75 CO 0.00 0.46 -0.07 -1.33 -1.32 0.00 0.00 178.16 175.90 1xpn n MET 76 N -4.41 1.05 -0.21 1.82 2.81 -0.15 -3.13 117.12 114.90 1xpn n MET 76 Ca 0.04 -0.43 -0.09 0.00 -1.81 0.00 0.00 57.70 55.42 1xpn n MET 76 Cb 0.09 -1.49 0.04 0.00 -0.71 0.00 0.00 33.22 31.15 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 1.04 1.07 0.16 0.03 3.64 -1.34 -0.78 116.57 120.39 1xpn h LYS 77 Ca 0.00 -0.33 -0.33 0.00 -1.27 0.00 0.00 60.65 58.72 1xpn h LYS 77 Cb 0.34 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1xpn h LYS 77 CO 0.00 1.03 -1.67 0.00 -2.27 0.00 0.00 179.45 176.54 1xpn h ALA 78 N 1.02 0.20 -0.16 5.00 0.00 -1.70 -3.26 119.26 120.38 1xpn h ALA 78 Ca 0.18 -1.13 -0.03 0.00 0.00 0.00 0.00 54.91 53.92 1xpn h ALA 78 Cb 0.53 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1xpn h ALA 78 CO 0.03 1.07 -0.02 -0.92 0.00 0.00 0.00 179.25 179.41 1xpn h TYR 79 N 0.09 0.33 -0.38 0.00 3.20 -1.54 -2.32 116.97 116.36 1xpn h TYR 79 Ca -0.31 -0.06 -0.08 0.00 3.14 0.00 0.00 58.73 61.42 1xpn h TYR 79 Cb 2.07 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 40.24 1xpn h TYR 79 CO 0.09 0.54 -0.09 -0.92 -1.64 0.00 0.00 178.16 176.14 1xpn h TYR 80 N 0.01 0.70 -0.10 -3.82 3.20 -1.31 -1.62 116.97 114.02 1xpn h TYR 80 Ca 0.04 -0.11 -0.10 0.00 3.14 0.00 0.00 58.73 61.70 1xpn h TYR 80 Cb 0.43 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 1xpn h TYR 80 CO 0.04 0.72 -0.37 0.00 -1.64 0.00 0.00 178.16 176.91 1xpn h ALA 81 N 1.30 1.18 0.25 1.82 0.00 -1.57 -2.88 119.26 119.36 1xpn h ALA 81 Ca 0.11 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1xpn h ALA 81 Cb 0.51 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1xpn h ALA 81 CO 0.03 0.55 -0.12 0.87 0.00 0.00 0.00 179.25 180.58 1xpn h LYS 82 N 0.19 -0.32 0.00 0.00 1.79 -1.01 -3.46 116.57 113.76 1xpn h LYS 82 Ca 0.02 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1xpn h LYS 82 Cb 0.74 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.47 1xpn h LYS 82 CO 0.06 -0.09 0.00 1.19 -1.08 0.00 0.00 179.45 179.52 1xpn n PHE 83 N -4.99 0.00 0.00 -1.35 3.01 -0.64 -5.01 117.46 108.47 1xpn n PHE 83 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.40 1xpn n PHE 83 Cb 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.66 1xpn n PHE 83 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xpn n GLY 84 N 3.41 2.24 3.47 1.37 0.00 -1.09 -4.07 105.19 110.52 1xpn n GLY 84 Ca 0.00 0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.95 1xpn n GLY 84 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xpn s ASN 85 N -4.00 6.33 -0.16 1.61 0.01 -1.25 -4.56 114.94 112.92 1xpn s ASN 85 Ca 0.00 -1.29 0.01 0.00 -0.71 0.00 0.00 52.86 50.86 1xpn s ASN 85 Cb 0.00 -2.44 0.02 0.00 0.41 0.00 0.00 41.25 39.24 1xpn s ASN 85 CO 0.00 -1.37 -0.16 -0.22 -1.51 0.00 0.00 177.10 173.84 1xpn s LEU 86 N 3.90 1.82 0.52 0.60 0.20 -1.06 -4.97 118.68 119.69 1xpn s LEU 86 Ca 0.28 -0.53 -0.21 0.00 0.69 0.00 0.00 54.13 54.36 1xpn s LEU 86 Cb -0.11 -1.27 -0.06 0.00 -0.43 0.00 0.00 46.19 44.32 1xpn s LEU 86 CO 0.03 -0.04 1.21 -1.81 -0.29 0.00 0.00 176.35 175.45 1xpn s ASP 87 N 1.43 5.67 0.52 3.68 1.11 -1.26 -1.17 116.67 126.65 1xpn s ASP 87 Ca 0.05 2.40 0.35 0.00 0.18 0.00 0.00 52.55 55.53 1xpn s ASP 87 Cb -0.13 -2.61 1.73 0.00 1.07 0.00 0.00 42.92 42.98 1xpn s ASP 87 CO -0.11 -1.27 2.05 0.00 1.18 0.00 0.00 175.17 177.02 1xpn h ALA 88 N 1.51 1.00 0.00 5.23 0.00 -0.84 -0.92 119.26 125.24 1xpn h ALA 88 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1xpn h ALA 88 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xpn h ALA 88 CO 0.58 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.83 1xpn n ALA 89 N -1.98 1.49 -2.24 0.00 0.00 -1.25 -2.10 120.51 114.43 1xpn n ALA 89 Ca -0.01 0.08 0.03 0.00 0.00 0.00 0.00 53.44 53.53 1xpn n ALA 89 Cb 0.14 -1.32 0.08 0.00 0.00 0.00 0.00 19.45 18.36 1xpn n ALA 89 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1xpn n LYS 90 N -2.05 0.82 -2.37 0.00 2.85 -0.36 -5.01 118.16 112.05 1xpn n LYS 90 Ca 0.02 -2.64 -0.36 0.00 -1.05 0.00 0.00 58.31 54.28 1xpn n LYS 90 Cb 0.16 -0.75 -0.03 0.00 -0.65 0.00 0.00 35.03 33.76 1xpn n LYS 90 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1xpn s ARG 91 N -1.50 3.25 -0.14 -1.58 6.06 -0.89 -4.90 118.95 119.25 1xpn s ARG 91 Ca 0.35 -1.05 -0.28 0.00 -2.50 0.00 0.00 55.73 52.25 1xpn s ARG 91 Cb 0.38 -5.30 -0.01 0.00 0.06 0.00 0.00 34.95 30.08 1xpn s ARG 91 CO -0.12 -2.75 0.95 0.34 -2.50 0.00 0.00 175.30 171.23 1xpn s ASP 92 N 5.86 7.14 -0.03 -2.12 -1.08 -1.26 -4.94 116.67 120.25 1xpn s ASP 92 Ca 0.57 1.41 0.17 0.00 -0.52 0.00 0.00 52.55 54.17 1xpn s ASP 92 Cb -0.01 -2.52 0.55 0.00 -1.46 0.00 0.00 42.92 39.47 1xpn s ASP 92 CO -0.02 -0.45 1.45 -0.81 0.52 0.00 0.00 175.17 175.86 1xpn n PRO 93 N 5.20 2.65 -0.08 4.34 -0.04 -1.26 -4.32 135.00 141.49 1xpn n PRO 93 Ca 0.08 -2.20 -0.12 0.00 -0.04 0.00 0.00 63.50 61.22 1xpn n PRO 93 Cb 0.48 -1.56 -0.08 0.00 -0.04 0.00 0.00 33.50 32.30 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 1.13 2.62 -4.61 3.54 2.03 -1.26 -4.92 116.55 115.08 1xpn n ASP 94 Ca 0.20 -0.09 -0.43 0.00 0.52 0.00 0.00 54.79 55.00 1xpn n ASP 94 Cb 0.58 -0.21 -0.03 0.00 -0.72 0.00 0.00 41.12 40.74 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 -2.34 3.08 -0.06 5.18 1.01 -1.26 -4.94 120.40 121.07 1xpn s VAL 95 Ca -0.22 0.09 -0.27 0.00 0.00 0.00 0.00 61.98 61.57 1xpn s VAL 95 Cb 0.06 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 1xpn s VAL 95 CO 0.40 -0.05 0.86 0.00 0.00 0.00 0.00 175.10 176.31 1xpn s GLN 96 N 5.94 4.47 0.53 2.72 -2.07 -1.26 -5.05 119.66 124.93 1xpn s GLN 96 Ca 0.96 1.17 -0.18 0.00 -1.82 0.00 0.00 55.36 55.49 1xpn s GLN 96 Cb -0.33 -3.48 -0.06 0.00 -1.09 0.00 0.00 33.01 28.05 1xpn s GLN 96 CO 0.36 -0.07 1.04 -2.14 -1.32 0.00 0.00 175.29 173.15 1xpn s PRO 97 N 1.18 3.62 1.06 9.60 0.02 -1.26 -5.07 135.00 144.16 1xpn s PRO 97 Ca 0.45 1.25 -0.15 0.00 0.02 0.00 0.00 61.00 62.57 1xpn s PRO 97 Cb -0.19 -2.07 0.22 0.00 0.02 0.00 0.00 34.50 32.48 1xpn s PRO 97 CO 0.21 -0.56 1.13 -2.14 -0.33 0.00 0.00 177.00 175.31 1xpn s PRO 98 N -3.66 -0.10 -0.24 5.54 0.02 -1.26 -4.95 135.00 130.36 1xpn s PRO 98 Ca 0.65 0.15 -0.29 0.00 0.02 0.00 0.00 61.00 61.53 1xpn s PRO 98 Cb -0.15 -1.71 -0.02 0.00 0.02 0.00 0.00 34.50 32.64 1xpn s PRO 98 CO 0.28 -3.01 1.52 0.54 -0.33 0.00 0.00 177.00 176.00 1xpn s VAL 99 N -3.13 3.83 0.39 3.83 0.11 -1.26 -4.99 120.40 119.18 1xpn s VAL 99 Ca 0.68 0.94 -0.19 0.00 -2.93 0.00 0.00 61.98 60.48 1xpn s VAL 99 Cb -0.13 -3.83 -0.10 0.00 -1.53 0.00 0.00 36.38 30.79 1xpn s VAL 99 CO 0.56 -0.33 0.87 -0.76 -3.33 0.00 0.00 175.10 172.10 1xpn s LEU 100 N 4.89 4.00 0.11 2.54 1.43 -1.26 -4.61 118.68 125.77 1xpn s LEU 100 Ca 0.67 1.54 -0.31 0.00 -1.03 0.00 0.00 54.13 55.00 1xpn s LEU 100 Cb -0.23 -4.35 -0.10 0.00 0.03 0.00 0.00 46.19 41.55 1xpn s LEU 100 CO 0.27 -0.29 1.73 -0.62 0.23 0.00 0.00 176.35 177.67 1xpn s ASP 101 N -2.20 6.51 0.43 2.29 2.15 -1.26 -4.89 116.67 119.69 1xpn s ASP 101 Ca 0.59 2.64 0.30 0.00 0.43 0.00 0.00 52.55 56.50 1xpn s ASP 101 Cb -0.10 -2.57 1.21 0.00 -0.30 0.00 0.00 42.92 41.16 1xpn s ASP 101 CO 0.15 -0.94 1.87 -0.65 -0.17 0.00 0.00 175.17 175.43 1xpn h PRO 102 N 8.24 0.00 0.00 4.34 0.11 -2.03 -2.89 132.00 139.77 1xpn h PRO 102 Ca -0.44 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 1xpn h PRO 102 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1xpn h PRO 102 CO 0.94 0.00 -0.36 -0.09 -0.21 0.00 0.00 178.00 178.28 1xpn h ARG 103 N 0.00 0.00 -0.84 1.05 9.65 -2.02 -2.12 114.38 120.10 1xpn h ARG 103 Ca 0.00 0.00 0.07 0.00 -1.10 0.00 0.00 59.98 58.95 1xpn h ARG 103 Cb 0.45 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 28.98 1xpn h ARG 103 CO 0.00 0.36 0.55 0.00 2.80 0.00 0.00 179.97 183.68 1xpn h ARG 104 N 0.00 0.88 0.00 0.20 3.08 -1.91 -0.86 114.38 115.78 1xpn h ARG 104 Ca -0.00 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1xpn h ARG 104 Cb 0.82 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.67 1xpn h ARG 104 CO 0.05 0.58 -0.00 0.00 -1.07 0.00 0.00 179.97 179.53 1xpn h ALA 105 N 1.55 1.29 0.19 0.04 0.00 -1.55 0.46 119.26 121.24 1xpn h ALA 105 Ca 0.37 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.94 1xpn h ALA 105 Cb 0.26 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1xpn h ALA 105 CO -0.14 0.00 -1.67 1.15 0.00 0.00 0.00 179.25 178.59 1xpn h THR 106 N 0.00 1.03 0.00 0.00 2.02 -1.28 -3.36 112.91 111.32 1xpn h THR 106 Ca -0.00 -2.59 -0.03 0.00 0.77 0.00 0.00 66.41 64.55 1xpn h THR 106 Cb 0.01 2.81 -0.00 0.00 -1.74 0.00 0.00 68.15 69.22 1xpn h THR 106 CO 0.00 0.84 -0.30 1.88 0.37 0.00 0.00 175.52 178.32 1xpn h TYR 107 N 0.11 0.00 -2.24 3.16 0.05 -0.67 -3.44 116.97 113.94 1xpn h TYR 107 Ca -0.31 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 57.94 1xpn h TYR 107 Cb 2.10 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 39.81 1xpn h TYR 107 CO 0.10 0.14 1.34 0.08 -1.05 0.00 0.00 178.16 178.77 1xpn s VAL 108 N -3.16 3.39 -0.25 -2.88 1.01 0.14 -4.65 120.40 114.01 1xpn s VAL 108 Ca 0.05 0.31 -0.18 0.00 0.00 0.00 0.00 61.98 62.16 1xpn s VAL 108 Cb 0.06 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1xpn s VAL 108 CO 0.71 -0.65 0.53 -0.13 0.00 0.00 0.00 175.10 175.55 1xpn s ARG 109 N 6.57 4.10 -0.23 2.72 0.52 -1.07 -4.91 118.95 126.65 1xpn s ARG 109 Ca 0.74 0.37 -0.09 0.00 -0.52 0.00 0.00 55.73 56.22 1xpn s ARG 109 Cb -0.17 -3.63 -0.04 0.00 0.52 0.00 0.00 34.95 31.63 1xpn s ARG 109 CO 0.26 -0.31 0.12 -1.21 0.02 0.00 0.00 175.30 174.19 1xpn s GLU 110 N 2.17 3.97 -0.42 3.54 2.02 -1.26 -0.60 118.70 128.11 1xpn s GLU 110 Ca 0.22 -0.33 -0.02 0.00 0.02 0.00 0.00 54.97 54.87 1xpn s GLU 110 Cb -0.16 -3.43 0.11 0.00 0.10 0.00 0.00 34.13 30.75 1xpn s GLU 110 CO 0.09 0.05 0.20 0.00 0.02 0.00 0.00 175.26 175.63 1xpn s ALA 111 N 1.03 3.15 -0.42 5.21 0.00 0.13 -4.94 121.76 125.93 1xpn s ALA 111 Ca 0.06 -2.61 -0.27 0.00 0.00 0.00 0.00 51.96 49.14 1xpn s ALA 111 Cb -0.14 -2.36 0.02 0.00 0.00 0.00 0.00 23.12 20.64 1xpn s ALA 111 CO 0.04 -1.81 1.03 0.99 0.00 0.00 0.00 175.76 176.00 1xpn s THR 112 N 0.98 4.40 -0.36 0.00 2.01 -1.26 -0.66 115.64 120.75 1xpn s THR 112 Ca 0.10 1.19 -0.29 0.00 0.31 0.00 0.00 61.69 62.99 1xpn s THR 112 Cb -0.22 -4.47 0.01 0.00 0.01 0.00 0.00 72.50 67.82 1xpn s THR 112 CO -0.05 -0.78 1.36 0.42 -0.69 0.00 0.00 174.62 174.89 1xpn s THR 113 N 3.94 4.01 0.00 -0.82 -4.23 0.34 -4.90 115.64 113.99 1xpn s THR 113 Ca 0.43 1.09 0.00 0.00 -1.18 0.00 0.00 61.69 62.03 1xpn s THR 113 Cb -0.10 -4.18 0.00 0.00 1.34 0.00 0.00 72.50 69.56 1xpn s THR 113 CO 0.25 -0.63 0.55 0.47 -0.54 0.00 0.00 174.62 174.73 1xpn n ASP 114 N 8.23 0.00 0.00 3.99 9.92 -1.26 -0.63 116.55 136.79 1xpn n ASP 114 Ca 0.16 0.57 0.00 0.00 -0.53 0.00 0.00 54.79 54.98 1xpn n ASP 114 Cb 0.47 -0.11 0.00 0.00 -0.64 0.00 0.00 41.12 40.84 1xpn n ASP 114 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1xpn n GLN 115 N -0.84 0.32 0.26 -1.24 7.27 -1.26 -2.01 117.38 119.87 1xpn n GLN 115 Ca 0.00 0.00 0.17 0.00 0.07 0.00 0.00 57.00 57.24 1xpn n GLN 115 Cb 0.00 -0.60 0.74 0.00 2.41 0.00 0.00 30.24 32.79 1xpn n GLN 115 CO 0.00 0.00 0.00 -0.91 0.07 0.00 0.00 177.06 176.22 1xpn h ASN 116 N 0.00 0.00 -2.57 1.69 4.21 -1.91 -3.46 115.58 113.54 1xpn h ASN 116 Ca 0.00 0.00 -0.26 0.00 1.21 0.00 0.00 56.30 57.25 1xpn h ASN 116 Cb 0.20 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.42 1xpn h ASN 116 CO 0.00 0.00 -0.37 0.61 -1.29 0.00 0.00 177.43 176.38 1xpn n GLY 117 N -0.23 -0.13 2.98 2.83 0.00 -1.26 -4.94 105.19 104.45 1xpn n GLY 117 Ca 0.00 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 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 -5.02 0.36 0.07 1.61 3.52 -1.26 -0.60 118.95 117.63 1xpn s ARG 118 Ca 0.11 -0.38 0.02 0.00 -0.13 0.00 0.00 55.73 55.35 1xpn s ARG 118 Cb -0.05 -0.23 -0.03 0.00 -1.56 0.00 0.00 34.95 33.07 1xpn s ARG 118 CO 0.14 0.05 -0.07 -0.59 -0.81 0.00 0.00 175.30 174.03 1xpn s PHE 119 N -0.65 0.74 0.04 5.12 -0.71 0.50 -4.79 117.98 118.23 1xpn s PHE 119 Ca -0.04 -0.75 0.01 0.00 -1.04 0.00 0.00 56.93 55.11 1xpn s PHE 119 Cb -0.05 -0.44 -0.03 0.00 -1.21 0.00 0.00 43.02 41.29 1xpn s PHE 119 CO -0.00 -0.15 -0.05 0.16 -1.34 0.00 0.00 175.22 173.85 1xpn s ASP 120 N -2.38 0.54 0.22 1.98 1.47 -1.26 -0.60 116.67 116.64 1xpn s ASP 120 Ca 0.02 -0.65 0.02 0.00 1.18 0.00 0.00 52.55 53.11 1xpn s ASP 120 Cb -0.01 0.10 -0.05 0.00 -0.34 0.00 0.00 42.92 42.62 1xpn s ASP 120 CO -0.03 -0.35 0.03 -0.36 0.68 0.00 0.00 175.17 175.14 1xpn s PHE 121 N -2.10 1.45 -0.03 2.11 0.08 0.80 -4.96 117.98 115.32 1xpn s PHE 121 Ca -0.07 -1.02 -0.24 0.00 0.12 0.00 0.00 56.93 55.72 1xpn s PHE 121 Cb -0.05 -0.85 0.05 0.00 -0.57 0.00 0.00 43.02 41.60 1xpn s PHE 121 CO -0.03 -0.17 0.51 0.34 -0.10 0.00 0.00 175.22 175.77 1xpn s ASP 122 N -3.27 -0.44 -0.84 1.36 2.15 -1.26 -2.00 116.67 112.37 1xpn s ASP 122 Ca 0.30 0.42 -0.03 0.00 0.43 0.00 0.00 52.55 53.67 1xpn s ASP 122 Cb 0.06 0.43 -0.03 0.00 -0.30 0.00 0.00 42.92 43.09 1xpn s ASP 122 CO 0.09 -0.54 0.76 1.41 -0.17 0.00 0.00 175.17 176.72 1xpn n HIS 123 N 1.07 -2.54 -4.60 -5.34 8.25 -1.26 -4.94 115.22 105.86 1xpn n HIS 123 Ca -0.20 0.93 -0.23 0.00 -0.26 0.00 0.00 57.72 57.95 1xpn n HIS 123 Cb 0.57 -3.99 -0.16 0.00 1.12 0.00 0.00 29.99 27.53 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 -3.19 1.11 0.87 1.59 1.01 -1.17 -4.47 121.20 116.95 1xpn s ILE 124 Ca 0.22 -0.52 -0.11 0.00 0.00 0.00 0.00 60.65 60.24 1xpn s ILE 124 Cb -0.03 -0.98 0.11 0.00 0.01 0.00 0.00 42.46 41.58 1xpn s ILE 124 CO 0.70 0.33 1.11 -2.16 0.00 0.00 0.00 174.94 174.92 1xpn s PRO 125 N 0.25 1.45 0.57 2.79 0.04 -1.24 -1.61 135.00 137.24 1xpn s PRO 125 Ca -0.06 1.29 -0.10 0.00 0.04 0.00 0.00 61.00 62.16 1xpn s PRO 125 Cb -0.11 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 1xpn s PRO 125 CO 0.02 -2.25 0.96 0.54 0.04 0.00 0.00 177.00 176.32 1xpn s ASN 126 N -3.03 6.29 0.00 6.66 4.22 -1.26 -4.88 114.94 122.93 1xpn s ASN 126 Ca 0.64 1.32 0.00 0.00 -2.14 0.00 0.00 52.86 52.68 1xpn s ASN 126 Cb -0.20 -2.42 0.00 0.00 1.28 0.00 0.00 41.25 39.91 1xpn s ASN 126 CO 0.57 -0.76 0.00 0.61 -2.04 0.00 0.00 177.10 175.48 1xpn n GLY 127 N -2.48 0.51 3.36 0.45 0.00 -0.92 -4.96 105.19 101.14 1xpn n GLY 127 Ca 0.05 -1.62 -0.33 0.00 0.00 0.00 0.00 46.02 44.11 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 -3.07 3.15 0.22 2.61 2.01 -1.26 -0.52 115.64 118.77 1xpn s THR 128 Ca 0.00 -0.61 0.06 0.00 0.31 0.00 0.00 61.69 61.45 1xpn s THR 128 Cb 0.00 -2.35 -0.05 0.00 0.01 0.00 0.00 72.50 70.11 1xpn s THR 128 CO 0.00 0.50 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.04 1xpn s TYR 129 N 0.59 1.65 -0.17 4.92 2.02 0.42 -1.42 117.35 125.36 1xpn s TYR 129 Ca -0.07 -0.71 -0.02 0.00 -0.37 0.00 0.00 57.07 55.91 1xpn s TYR 129 Cb -0.15 -0.87 -0.01 0.00 -0.40 0.00 0.00 41.96 40.53 1xpn s TYR 129 CO 0.03 0.21 -0.10 0.71 -1.57 0.00 0.00 175.55 174.83 1xpn s TYR 130 N -3.14 2.88 -0.46 2.71 2.02 0.11 -0.68 117.35 120.78 1xpn s TYR 130 Ca 0.24 -0.87 -0.18 0.00 -0.37 0.00 0.00 57.07 55.89 1xpn s TYR 130 Cb 0.02 -1.96 0.04 0.00 -0.40 0.00 0.00 41.96 39.66 1xpn s TYR 130 CO 0.07 -0.41 0.52 0.42 -1.57 0.00 0.00 175.55 174.58 1xpn s ILE 131 N 0.93 5.00 -0.22 2.71 1.01 0.05 -1.49 121.20 129.19 1xpn s ILE 131 Ca -0.02 -0.44 -0.12 0.00 0.00 0.00 0.00 60.65 60.08 1xpn s ILE 131 Cb -0.15 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.11 1xpn s ILE 131 CO -0.00 -0.60 0.20 -0.94 0.00 0.00 0.00 174.94 173.60 1xpn s SER 132 N 2.24 6.22 -0.17 3.58 1.04 0.48 -0.71 113.70 126.37 1xpn s SER 132 Ca 0.13 0.24 -0.06 0.00 0.48 0.00 0.00 55.95 56.74 1xpn s SER 132 Cb -0.18 -2.13 0.08 0.00 0.10 0.00 0.00 66.02 63.89 1xpn s SER 132 CO 0.13 0.07 0.36 -0.94 0.98 0.00 0.00 173.24 173.84 1xpn s SER 133 N 0.83 -0.04 -0.88 7.02 1.04 -0.39 -1.23 113.70 120.06 1xpn s SER 133 Ca 0.10 0.83 -0.19 0.00 0.48 0.00 0.00 55.95 57.17 1xpn s SER 133 Cb -0.13 1.05 0.13 0.00 0.10 0.00 0.00 66.02 67.17 1xpn s SER 133 CO 0.03 -0.23 1.07 -0.70 0.98 0.00 0.00 173.24 174.40 1xpn s GLU 134 N 2.44 3.53 -0.23 4.02 2.12 -1.26 -1.07 118.70 128.25 1xpn s GLU 134 Ca -0.01 -1.70 -0.01 0.00 0.36 0.00 0.00 54.97 53.61 1xpn s GLU 134 Cb -0.12 -4.80 0.02 0.00 0.26 0.00 0.00 34.13 29.50 1xpn s GLU 134 CO -0.11 -1.74 -0.09 -1.17 -0.54 0.00 0.00 175.26 171.61 1xpn s LEU 135 N 2.66 2.92 0.02 2.70 2.96 0.20 -4.94 118.68 125.21 1xpn s LEU 135 Ca 0.30 -0.79 0.00 0.00 -0.22 0.00 0.00 54.13 53.42 1xpn s LEU 135 Cb -0.07 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 1xpn s LEU 135 CO -0.07 -0.09 -0.03 0.28 -1.32 0.00 0.00 176.35 175.12 1xpn s THR 136 N 1.32 0.13 -0.02 3.68 -1.32 -1.26 -0.48 115.64 117.69 1xpn s THR 136 Ca 0.01 -0.91 -0.01 0.00 -1.21 0.00 0.00 61.69 59.58 1xpn s THR 136 Cb -0.16 -0.28 0.02 0.00 -1.51 0.00 0.00 72.50 70.58 1xpn s THR 136 CO -0.06 -0.49 0.05 -1.66 -2.21 0.00 0.00 174.62 170.25 1xpn s TRP 137 N -1.43 -0.02 -0.38 9.09 -2.14 -0.08 -4.94 118.94 119.05 1xpn s TRP 137 Ca -0.15 0.17 -0.04 0.00 2.66 0.00 0.00 56.10 58.73 1xpn s TRP 137 Cb -0.10 -0.13 0.08 0.00 -3.10 0.00 0.00 33.47 30.23 1xpn s TRP 137 CO -0.01 -0.08 0.15 0.45 -2.66 0.00 0.00 176.95 174.81 1xpn s SER 138 N 0.73 5.23 0.32 -2.66 0.15 -1.26 -0.56 113.70 115.65 1xpn s SER 138 Ca -0.06 -1.68 0.10 0.00 0.70 0.00 0.00 55.95 55.00 1xpn s SER 138 Cb -0.08 -1.83 -0.05 0.00 -1.71 0.00 0.00 66.02 62.34 1xpn s SER 138 CO -0.02 -0.45 -0.04 0.00 1.20 0.00 0.00 173.24 173.93 1xpn s ALA 139 N 1.24 3.10 -0.14 5.45 0.00 -0.69 -4.90 121.76 125.81 1xpn s ALA 139 Ca 0.03 -1.94 -0.13 0.00 0.00 0.00 0.00 51.96 49.92 1xpn s ALA 139 Cb -0.22 -0.35 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 1xpn s ALA 139 CO -0.02 0.12 0.29 -0.65 0.00 0.00 0.00 175.76 175.50 1xpn s GLN 140 N -3.67 4.17 -0.19 0.00 -0.21 -1.26 -0.56 119.66 117.94 1xpn s GLN 140 Ca 0.33 0.11 0.01 0.00 0.02 0.00 0.00 55.36 55.84 1xpn s GLN 140 Cb -0.01 -3.39 0.03 0.00 1.00 0.00 0.00 33.01 30.64 1xpn s GLN 140 CO 0.18 0.31 -0.17 0.45 -2.12 0.00 0.00 175.29 173.94 1xpn s SER 141 N 0.24 3.38 0.00 5.90 0.15 0.42 -4.72 113.70 119.06 1xpn s SER 141 Ca 0.17 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 56.02 1xpn s SER 141 Cb -0.13 -1.47 0.00 0.00 -1.71 0.00 0.00 66.02 62.71 1xpn s SER 141 CO 0.05 -0.05 0.00 -0.67 1.20 0.00 0.00 173.24 173.77 1xpn n ASP 142 N 4.59 0.00 0.00 5.45 2.03 -1.26 -2.68 116.55 124.68 1xpn n ASP 142 Ca -0.19 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.12 1xpn n ASP 142 Cb 0.48 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 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 0.00 3.85 0.27 0.00 -1.26 -5.14 105.19 102.90 1xpn n GLY 143 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.04 3.88 -0.54 1.61 2.20 -1.09 -4.97 119.74 120.79 1xpn s LYS 144 Ca 0.00 0.35 -0.26 0.00 -0.36 0.00 0.00 55.97 55.70 1xpn s LYS 144 Cb 0.00 -3.11 0.03 0.00 -1.51 0.00 0.00 37.83 33.25 1xpn s LYS 144 CO 0.00 0.62 1.03 0.99 -0.36 0.00 0.00 175.35 177.63 1xpn s THR 145 N -1.24 4.28 0.33 3.43 2.01 -1.26 -0.44 115.64 122.74 1xpn s THR 145 Ca 0.29 0.61 0.01 0.00 0.31 0.00 0.00 61.69 62.92 1xpn s THR 145 Cb -0.16 -4.58 -0.03 0.00 0.01 0.00 0.00 72.50 67.74 1xpn s THR 145 CO 0.16 -1.13 0.52 0.27 -0.69 0.00 0.00 174.62 173.75 1xpn s ILE 146 N 4.26 5.13 -0.31 1.82 -4.36 0.28 -4.93 121.20 123.09 1xpn s ILE 146 Ca 0.37 -0.56 0.02 0.00 -0.26 0.00 0.00 60.65 60.22 1xpn s ILE 146 Cb -0.10 -3.86 0.09 0.00 1.25 0.00 0.00 42.46 39.84 1xpn s ILE 146 CO 0.23 -0.52 0.03 -0.89 0.24 0.00 0.00 174.94 174.03 1xpn s THR 147 N -2.26 1.83 0.30 8.37 2.01 -1.26 -1.70 115.64 122.93 1xpn s THR 147 Ca 0.39 -1.89 0.02 0.00 0.31 0.00 0.00 61.69 60.52 1xpn s THR 147 Cb -0.09 -2.28 -0.03 0.00 0.01 0.00 0.00 72.50 70.10 1xpn s THR 147 CO 0.35 -0.49 0.48 -1.61 -0.69 0.00 0.00 174.62 172.66 1xpn s GLU 148 N 1.16 3.47 1.76 4.92 0.41 0.28 -3.84 118.70 126.86 1xpn s GLU 148 Ca 0.06 -0.47 0.00 0.00 -0.41 0.00 0.00 54.97 54.15 1xpn s GLU 148 Cb -0.19 -2.75 0.00 0.00 -1.78 0.00 0.00 34.13 29.41 1xpn s GLU 148 CO -0.11 0.26 0.00 0.41 -0.49 0.00 0.00 175.26 175.33 1xpn n GLY 149 N -1.56 -1.28 0.00 -1.39 0.00 -1.26 -0.90 105.19 98.79 1xpn n GLY 149 Ca -0.06 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 3.46 -0.02 0.00 0.36 -0.25 105.19 108.90 1xpn n GLY 150 Ca 0.00 -0.95 -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 -0.51 0.00 0.00 0.00 173.32 172.81 1xpn s THR 151 N -3.31 4.48 -0.31 2.61 -4.23 -0.31 -0.63 115.64 113.94 1xpn s THR 151 Ca 0.00 -0.32 -0.11 0.00 -1.18 0.00 0.00 61.69 60.08 1xpn s THR 151 Cb 0.00 -4.57 -0.02 0.00 1.34 0.00 0.00 72.50 69.24 1xpn s THR 151 CO 0.00 -1.25 0.20 0.54 -0.54 0.00 0.00 174.62 173.57 1xpn s VAL 152 N 3.66 5.07 -0.17 2.29 0.11 -0.23 -2.55 120.40 128.58 1xpn s VAL 152 Ca 0.22 -0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 1xpn s VAL 152 Cb -0.17 -3.53 0.01 0.00 -1.53 0.00 0.00 36.38 31.15 1xpn s VAL 152 CO 0.12 0.10 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.94 1xpn s THR 153 N 1.70 2.48 -0.15 5.04 2.01 -1.26 -1.26 115.64 124.20 1xpn s THR 153 Ca 0.06 -0.82 -0.04 0.00 0.31 0.00 0.00 61.69 61.21 1xpn s THR 153 Cb -0.17 -2.05 -0.03 0.00 0.01 0.00 0.00 72.50 70.26 1xpn s THR 153 CO 0.09 0.51 -0.04 -0.75 -0.69 0.00 0.00 174.62 173.75 1xpn s LYS 154 N 1.10 3.64 -0.58 4.92 2.20 0.11 -4.83 119.74 126.30 1xpn s LYS 154 Ca 0.00 -0.52 -0.28 0.00 -0.36 0.00 0.00 55.97 54.81 1xpn s LYS 154 Cb -0.14 -2.90 0.03 0.00 -1.51 0.00 0.00 37.83 33.30 1xpn s LYS 154 CO -0.06 0.26 1.18 -1.17 -0.36 0.00 0.00 175.35 175.21 1xpn s LEU 155 N 0.30 3.47 -0.18 5.43 2.96 -1.26 -0.77 118.68 128.64 1xpn s LEU 155 Ca -0.04 0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.97 1xpn s LEU 155 Cb -0.14 -3.15 0.03 0.00 0.50 0.00 0.00 46.19 43.43 1xpn s LEU 155 CO 0.03 -1.48 -0.14 -0.69 -1.32 0.00 0.00 176.35 172.75 1xpn s VAL 156 N 4.92 1.73 -0.17 1.68 1.01 0.14 -4.98 120.40 124.74 1xpn s VAL 156 Ca 0.42 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 61.36 1xpn s VAL 156 Cb -0.08 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1xpn s VAL 156 CO 0.25 0.35 0.43 0.28 0.00 0.00 0.00 175.10 176.42 1xpn s THR 157 N 1.39 5.19 -0.46 3.92 -1.32 -1.26 -0.44 115.64 122.66 1xpn s THR 157 Ca 0.02 0.82 -0.17 0.00 -1.21 0.00 0.00 61.69 61.15 1xpn s THR 157 Cb -0.14 -3.77 0.05 0.00 -1.51 0.00 0.00 72.50 67.13 1xpn s THR 157 CO -0.10 0.28 0.47 -0.69 -2.21 0.00 0.00 174.62 172.37 1xpn s VAL 158 N 1.04 5.08 0.00 5.08 1.01 0.32 -4.82 120.40 128.11 1xpn s VAL 158 Ca 0.22 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1xpn s VAL 158 Cb -0.15 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1xpn s VAL 158 CO 0.08 -0.58 0.60 -1.54 0.00 0.00 0.00 175.10 173.67 1xpn n SER 159 N 5.62 1.16 -4.54 3.32 3.41 -1.26 -2.17 113.62 119.16 1xpn n SER 159 Ca -0.09 -1.30 -0.40 0.00 -0.26 0.00 0.00 58.87 56.82 1xpn n SER 159 Cb 0.46 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.30 1xpn n SER 159 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1xpn s GLY 160 N -0.30 1.96 0.28 5.00 0.00 -1.26 -4.91 107.32 108.09 1xpn s GLY 160 Ca 0.00 -1.34 0.24 0.00 0.00 0.00 0.00 44.72 43.62 1xpn s GLY 160 CO 0.00 0.77 1.53 1.76 0.00 0.00 0.00 173.10 177.15 1xpn h SER 161 N 8.48 0.00 -2.51 1.64 0.02 -1.92 -3.35 113.55 115.90 1xpn h SER 161 Ca -0.32 -0.04 -0.46 0.00 -0.84 0.00 0.00 61.79 60.14 1xpn h SER 161 Cb 1.16 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.71 1xpn h SER 161 CO 0.63 0.02 -0.21 -1.10 -1.14 0.00 0.00 176.83 175.02 1xpn s GLN 162 N -3.19 3.25 -0.68 3.45 -0.21 -1.26 -4.07 119.66 116.95 1xpn s GLN 162 Ca 0.07 -0.57 -0.36 0.00 0.02 0.00 0.00 55.36 54.52 1xpn s GLN 162 Cb 0.09 -2.68 -0.18 0.00 1.00 0.00 0.00 33.01 31.24 1xpn s GLN 162 CO 0.67 0.00 2.40 -2.30 -2.12 0.00 0.00 175.29 173.95 1xpn n PRO 163 N -1.83 0.25 -3.17 2.91 -0.02 -1.26 -4.42 135.00 127.47 1xpn n PRO 163 Ca -0.02 0.04 -0.44 0.00 -2.02 0.00 0.00 63.50 61.06 1xpn n PRO 163 Cb 0.57 -1.81 -0.06 0.00 -0.02 0.00 0.00 33.50 32.19 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 7.43 3.08 -0.27 -0.52 0.74 0.78 -4.89 119.66 126.02 1xpn s GLN 164 Ca 1.23 -1.08 -0.29 0.00 0.05 0.00 0.00 55.36 55.27 1xpn s GLN 164 Cb -1.20 -4.16 0.01 0.00 1.10 0.00 0.00 33.01 28.76 1xpn s GLN 164 CO 0.53 -1.31 1.12 0.21 -0.55 0.00 0.00 175.29 175.29 1xpn s LYS 165 N 2.53 4.12 -0.03 1.67 2.20 -1.26 -0.23 119.74 128.75 1xpn s LYS 165 Ca 0.13 1.24 0.05 0.00 -0.36 0.00 0.00 55.97 57.03 1xpn s LYS 165 Cb -0.21 -3.73 -0.01 0.00 -1.51 0.00 0.00 37.83 32.37 1xpn s LYS 165 CO 0.09 -0.83 -0.17 0.08 -0.36 0.00 0.00 175.35 174.16 1xpn s VAL 166 N 3.60 1.38 -0.17 4.02 1.01 0.81 -4.97 120.40 126.08 1xpn s VAL 166 Ca 0.47 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 1xpn s VAL 166 Cb -0.15 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 1xpn s VAL 166 CO 0.14 0.40 -0.06 -0.76 0.00 0.00 0.00 175.10 174.81 1xpn s LEU 167 N -0.20 3.01 -0.51 3.92 1.43 -1.26 -0.64 118.68 124.43 1xpn s LEU 167 Ca 0.02 -0.27 -0.10 0.00 -1.03 0.00 0.00 54.13 52.76 1xpn s LEU 167 Cb -0.09 -1.73 0.13 0.00 0.03 0.00 0.00 46.19 44.53 1xpn s LEU 167 CO 0.01 0.10 0.39 -0.22 0.23 0.00 0.00 176.35 176.85 1xpn s LEU 168 N 0.77 5.78 0.00 1.79 0.20 -0.48 -4.70 118.68 122.04 1xpn s LEU 168 Ca -0.02 -2.01 0.00 0.00 0.69 0.00 0.00 54.13 52.79 1xpn s LEU 168 Cb -0.15 -2.03 0.00 0.00 -0.43 0.00 0.00 46.19 43.58 1xpn s LEU 168 CO 0.02 -0.68 0.27 1.07 -0.29 0.00 0.00 176.35 176.73 1xpn n THR 169 N 4.80 0.06 0.00 3.68 5.66 -1.22 -1.22 114.28 126.04 1xpn n THR 169 Ca -0.06 -0.13 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 1xpn n THR 169 Cb 0.41 1.50 0.00 0.00 -1.55 0.00 0.00 70.33 70.69 1xpn n THR 169 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88