#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ixd n SER 2 N 0.00 0.32 -4.75 1.61 7.64 -1.26 -5.06 113.62 112.13 1ixd n SER 2 Ca 0.00 0.23 -0.37 0.00 1.01 0.00 0.00 58.87 59.74 1ixd n SER 2 Cb 0.00 0.03 -0.07 0.00 -1.01 0.00 0.00 64.21 63.17 1ixd n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ixd s SER 3 N -5.20 6.55 0.00 6.43 0.15 -1.26 -5.03 113.70 115.35 1ixd s SER 3 Ca 0.00 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.30 1ixd s SER 3 Cb 0.00 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 1ixd s SER 3 CO 0.00 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1ixd n GLY 4 N 3.02 4.40 0.01 9.45 0.00 -1.26 -5.09 105.19 115.73 1ixd n GLY 4 Ca -0.11 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1ixd n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ixd n SER 5 N 0.00 0.00 -0.33 1.61 3.41 -1.26 -4.97 113.62 112.09 1ixd n SER 5 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ixd n SER 5 Cb 0.00 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.12 1ixd n SER 5 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1ixd h SER 6 N 0.00 1.05 -5.86 4.04 0.87 -1.98 -3.46 113.55 108.20 1ixd h SER 6 Ca 0.00 -0.02 0.35 0.00 -1.23 0.00 0.00 61.79 60.89 1ixd h SER 6 Cb 0.00 -0.26 -0.12 0.00 -0.44 0.00 0.00 62.40 61.58 1ixd h SER 6 CO 0.00 0.75 0.89 -0.83 -0.53 0.00 0.00 176.83 177.11 1ixd s GLY 7 N -3.22 -0.42 0.52 5.77 0.00 -1.26 -5.04 107.32 103.67 1ixd s GLY 7 Ca -0.12 0.73 0.07 0.00 0.00 0.00 0.00 44.72 45.39 1ixd s GLY 7 CO 0.81 0.69 0.54 1.04 0.00 0.00 0.00 173.10 176.18 1ixd n LEU 8 N -0.53 0.00 -4.08 0.66 4.77 -1.26 -4.85 117.00 111.71 1ixd n LEU 8 Ca -0.08 -2.50 -0.35 0.00 -0.03 0.00 0.00 56.01 53.05 1ixd n LEU 8 Cb 0.63 -0.20 -0.12 0.00 -2.33 0.00 0.00 43.42 41.40 1ixd n LEU 8 CO 0.12 -0.62 -0.13 0.00 -1.33 0.00 0.00 177.39 175.43 1ixd s ALA 9 N -2.69 3.28 -0.08 -1.18 0.00 -1.26 -4.83 121.76 114.99 1ixd s ALA 9 Ca 0.41 -2.85 -0.20 0.00 0.00 0.00 0.00 51.96 49.32 1ixd s ALA 9 Cb -0.03 -2.40 0.04 0.00 0.00 0.00 0.00 23.12 20.73 1ixd s ALA 9 CO 0.26 -1.91 0.47 1.41 0.00 0.00 0.00 175.76 176.00 1ixd s MET 10 N 0.56 0.74 0.19 0.00 0.00 -1.26 -4.92 119.30 114.61 1ixd s MET 10 Ca 0.12 0.24 -0.12 0.00 0.00 0.00 0.00 55.69 55.93 1ixd s MET 10 Cb -0.22 0.35 0.17 0.00 0.00 0.00 0.00 34.83 35.13 1ixd s MET 10 CO -0.04 -0.18 1.77 -1.35 0.00 0.00 0.00 175.02 175.22 1ixd h PRO 11 N 4.16 0.43 -0.00 4.11 0.11 -1.93 -1.16 132.00 137.72 1ixd h PRO 11 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1ixd h PRO 11 Cb 1.17 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1ixd h PRO 11 CO 0.32 0.28 0.08 -1.35 -0.21 0.00 0.00 178.00 177.13 1ixd h PRO 12 N 0.44 0.00 0.00 1.05 0.11 -1.97 -3.24 132.00 128.38 1ixd h PRO 12 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 1ixd h PRO 12 Cb 0.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.32 1ixd h PRO 12 CO -0.21 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.99 1ixd n GLY 13 N -1.13 0.10 0.02 -0.55 0.00 -0.44 -4.89 105.19 98.31 1ixd n GLY 13 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 1ixd n GLY 13 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ixd n ASN 14 N 0.00 0.62 0.00 1.61 5.03 -1.24 -5.04 115.26 116.24 1ixd n ASN 14 Ca 0.00 0.36 0.00 0.00 0.87 0.00 0.00 54.58 55.81 1ixd n ASN 14 Cb 0.00 -0.62 0.00 0.00 -1.02 0.00 0.00 39.78 38.14 1ixd n ASN 14 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1ixd n SER 15 N -3.07 0.00 -1.22 6.41 2.88 -1.22 -4.88 113.62 112.52 1ixd n SER 15 Ca -0.03 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.49 1ixd n SER 15 Cb 0.10 0.04 -0.03 0.00 -0.75 0.00 0.00 64.21 63.56 1ixd n SER 15 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1ixd n HIS 16 N -1.15 -0.02 -1.89 0.66 8.25 -1.26 -4.62 115.22 115.19 1ixd n HIS 16 Ca 0.00 -0.53 -0.01 0.00 -0.26 0.00 0.00 57.72 56.93 1ixd n HIS 16 Cb 0.00 0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.38 1ixd n HIS 16 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ixd n GLY 17 N 0.16 0.56 3.21 -1.41 0.00 -1.26 -4.88 105.19 101.58 1ixd n GLY 17 Ca -0.15 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 1ixd n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ixd s LEU 18 N -2.53 5.79 0.43 0.99 1.43 -1.26 -4.96 118.68 118.56 1ixd s LEU 18 Ca 0.01 -2.12 0.03 0.00 -1.03 0.00 0.00 54.13 51.02 1ixd s LEU 18 Cb -0.00 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 1ixd s LEU 18 CO 0.03 -0.65 0.12 -1.83 0.23 0.00 0.00 176.35 174.25 1ixd s GLU 19 N 1.05 1.98 0.46 1.70 1.03 -1.26 -4.88 118.70 118.77 1ixd s GLU 19 Ca 0.08 -2.22 -0.25 0.00 0.03 0.00 0.00 54.97 52.62 1ixd s GLU 19 Cb -0.24 -0.72 -0.08 0.00 -0.80 0.00 0.00 34.13 32.28 1ixd s GLU 19 CO -0.02 -0.47 1.34 0.28 -1.33 0.00 0.00 175.26 175.05 1ixd n VAL 20 N -0.97 2.85 0.00 1.83 0.31 -1.26 -2.63 118.33 118.46 1ixd n VAL 20 Ca -0.08 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 1ixd n VAL 20 Cb 0.65 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 1ixd n VAL 20 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ixd n GLY 21 N 0.73 2.37 3.78 2.92 0.00 -0.80 -4.99 105.19 109.20 1ixd n GLY 21 Ca 0.07 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 1ixd n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ixd s SER 22 N 0.00 5.48 0.37 1.61 0.01 -1.08 -4.66 113.70 115.43 1ixd s SER 22 Ca 0.00 2.02 -0.19 0.00 1.31 0.00 0.00 55.95 59.09 1ixd s SER 22 Cb 0.00 -2.56 -0.10 0.00 0.21 0.00 0.00 66.02 63.57 1ixd s SER 22 CO 0.00 -1.38 0.86 -0.76 0.41 0.00 0.00 173.24 172.37 1ixd s LEU 23 N -4.38 4.06 -0.03 2.44 1.43 -1.26 -1.47 118.68 119.46 1ixd s LEU 23 Ca 0.68 1.55 -0.15 0.00 -1.03 0.00 0.00 54.13 55.18 1ixd s LEU 23 Cb -0.21 -4.25 0.03 0.00 0.03 0.00 0.00 46.19 41.79 1ixd s LEU 23 CO 0.35 -0.24 0.32 0.00 0.23 0.00 0.00 176.35 177.01 1ixd s ALA 24 N -2.00 -0.82 0.13 4.21 0.00 -0.88 -2.76 121.76 119.65 1ixd s ALA 24 Ca 0.56 0.44 0.09 0.00 0.00 0.00 0.00 51.96 53.05 1ixd s ALA 24 Cb -0.11 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 1ixd s ALA 24 CO 0.16 -0.25 -0.15 -2.00 0.00 0.00 0.00 175.76 173.52 1ixd s GLU 25 N -1.12 1.89 -0.09 0.00 2.12 0.74 -3.71 118.70 118.53 1ixd s GLU 25 Ca -0.12 -1.19 0.03 0.00 0.36 0.00 0.00 54.97 54.05 1ixd s GLU 25 Cb -0.05 -2.14 -0.01 0.00 0.26 0.00 0.00 34.13 32.19 1ixd s GLU 25 CO 0.04 0.47 -0.20 0.08 -0.54 0.00 0.00 175.26 175.11 1ixd s VAL 26 N -1.32 2.46 -0.92 3.70 1.01 -1.26 -0.81 120.40 123.25 1ixd s VAL 26 Ca 0.20 -0.90 -0.23 0.00 0.00 0.00 0.00 61.98 61.06 1ixd s VAL 26 Cb -0.10 -1.96 0.06 0.00 0.00 0.00 0.00 36.38 34.38 1ixd s VAL 26 CO 0.12 0.56 1.33 -0.54 0.00 0.00 0.00 175.10 176.56 1ixd s LYS 27 N 0.09 3.47 0.30 2.72 1.02 -1.26 -4.81 119.74 121.28 1ixd s LYS 27 Ca -0.09 -1.00 0.07 0.00 0.02 0.00 0.00 55.97 54.97 1ixd s LYS 27 Cb -0.15 -4.95 -0.03 0.00 -0.52 0.00 0.00 37.83 32.18 1ixd s LYS 27 CO 0.06 -2.10 0.26 -1.91 -0.92 0.00 0.00 175.35 170.74 1ixd n GLU 28 N 8.56 0.38 0.49 1.68 4.07 -1.26 -5.08 120.64 129.48 1ixd n GLU 28 Ca 0.22 -3.05 -0.20 0.00 -0.06 0.00 0.00 57.16 54.08 1ixd n GLU 28 Cb 0.50 2.51 -0.09 0.00 -0.06 0.00 0.00 31.44 34.29 1ixd n GLU 28 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 1ixd h ASN 29 N 1.88 -1.05 -3.40 4.31 2.35 -2.05 -3.40 115.58 114.22 1ixd h ASN 29 Ca -0.21 0.03 -0.56 0.00 -0.55 0.00 0.00 56.30 55.01 1ixd h ASN 29 Cb 1.10 0.27 -0.06 0.00 0.05 0.00 0.00 38.32 39.68 1ixd h ASN 29 CO 0.31 -0.73 1.02 -2.16 -1.65 0.00 0.00 177.43 174.23 1ixd s PRO 30 N -5.83 3.60 -0.49 0.81 0.04 -1.26 -4.97 135.00 126.90 1ixd s PRO 30 Ca -0.19 0.74 -0.27 0.00 0.04 0.00 0.00 61.00 61.32 1ixd s PRO 30 Cb 0.02 -3.99 -0.02 0.00 0.04 0.00 0.00 34.50 30.55 1ixd s PRO 30 CO 0.58 -1.54 1.83 -1.25 0.04 0.00 0.00 177.00 176.66 1ixd s PRO 31 N 4.82 2.93 0.12 0.56 0.04 -1.26 -4.96 135.00 137.25 1ixd s PRO 31 Ca 0.55 0.97 0.03 0.00 0.04 0.00 0.00 61.00 62.60 1ixd s PRO 31 Cb -0.11 -4.30 -0.04 0.00 0.04 0.00 0.00 34.50 30.09 1ixd s PRO 31 CO 0.32 -2.35 -0.09 -0.59 0.04 0.00 0.00 177.00 174.32 1ixd s PHE 32 N 8.15 1.11 0.10 0.56 -0.12 -1.26 -5.16 117.98 121.35 1ixd s PHE 32 Ca 0.73 -0.78 0.10 0.00 -0.05 0.00 0.00 56.93 56.93 1ixd s PHE 32 Cb -0.17 -0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 41.60 1ixd s PHE 32 CO 0.26 -0.00 -0.25 0.71 -0.05 0.00 0.00 175.22 175.89 1ixd s TYR 33 N -3.19 2.13 0.03 3.49 2.02 -1.26 -4.53 117.35 116.04 1ixd s TYR 33 Ca 0.12 -0.39 -0.28 0.00 -0.37 0.00 0.00 57.07 56.15 1ixd s TYR 33 Cb 0.02 -1.18 0.09 0.00 -0.40 0.00 0.00 41.96 40.50 1ixd s TYR 33 CO -0.01 0.26 0.94 0.20 -1.57 0.00 0.00 175.55 175.37 1ixd s GLY 34 N -1.85 -0.39 0.04 0.71 0.00 -1.24 -3.37 107.32 101.22 1ixd s GLY 34 Ca 0.11 0.79 0.02 0.00 0.00 0.00 0.00 44.72 45.64 1ixd s GLY 34 CO 0.05 0.24 0.05 0.54 0.00 0.00 0.00 173.10 173.98 1ixd s VAL 35 N -3.10 4.41 0.44 1.40 0.11 -1.23 -2.06 120.40 120.37 1ixd s VAL 35 Ca 0.08 -0.66 -0.25 0.00 -2.93 0.00 0.00 61.98 58.22 1ixd s VAL 35 Cb -0.01 -3.06 -0.08 0.00 -1.53 0.00 0.00 36.38 31.71 1ixd s VAL 35 CO -0.05 0.25 1.27 -0.63 -3.33 0.00 0.00 175.10 172.60 1ixd s ILE 36 N -1.25 2.70 0.07 7.04 1.01 -0.54 -2.15 121.20 128.07 1ixd s ILE 36 Ca 0.25 0.58 0.00 0.00 0.00 0.00 0.00 60.65 61.48 1ixd s ILE 36 Cb -0.12 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 39.02 1ixd s ILE 36 CO 0.16 0.05 0.00 0.54 0.00 0.00 0.00 174.94 175.70 1ixd n ARG 37 N -0.17 0.00 -5.24 2.79 5.12 0.29 -1.91 116.66 117.54 1ixd n ARG 37 Ca 0.05 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.66 1ixd n ARG 37 Cb 0.45 -0.15 -0.17 0.00 -1.16 0.00 0.00 32.46 31.43 1ixd n ARG 37 CO 0.00 0.00 0.00 -0.46 -1.93 0.00 0.00 177.63 175.24 1ixd s TRP 38 N -1.43 2.51 -0.28 -1.55 -0.00 -1.24 -4.72 118.94 112.23 1ixd s TRP 38 Ca 0.00 -0.90 0.02 0.00 -0.00 0.00 0.00 56.10 55.22 1ixd s TRP 38 Cb 0.00 -1.66 0.08 0.00 -0.00 0.00 0.00 33.47 31.89 1ixd s TRP 38 CO 0.00 -0.33 -0.01 0.42 -0.00 0.00 0.00 176.95 177.03 1ixd s ILE 39 N 0.11 1.72 0.00 5.86 1.01 -1.26 0.63 121.20 129.27 1ixd s ILE 39 Ca -0.12 -1.60 0.00 0.00 0.00 0.00 0.00 60.65 58.93 1ixd s ILE 39 Cb -0.16 -2.08 0.00 0.00 0.01 0.00 0.00 42.46 40.23 1ixd s ILE 39 CO 0.07 -0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.31 1ixd n GLY 40 N 4.55 1.83 2.92 6.18 0.00 -1.16 -4.92 105.19 114.59 1ixd n GLY 40 Ca -0.07 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 1ixd n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ixd s GLN 41 N -1.12 1.61 0.92 1.61 -0.21 -1.26 -1.12 119.66 120.09 1ixd s GLN 41 Ca 0.00 -0.62 -0.11 0.00 0.02 0.00 0.00 55.36 54.65 1ixd s GLN 41 Cb 0.00 -2.14 0.11 0.00 1.00 0.00 0.00 33.01 31.98 1ixd s GLN 41 CO 0.00 -0.43 0.90 -2.30 -2.12 0.00 0.00 175.29 171.34 1ixd n PRO 42 N 4.82 -0.37 -2.16 2.91 -0.02 -1.26 -4.84 135.00 134.08 1ixd n PRO 42 Ca -0.13 -0.05 -0.30 0.00 -2.02 0.00 0.00 63.50 61.00 1ixd n PRO 42 Cb 0.47 -2.20 -0.05 0.00 -0.02 0.00 0.00 33.50 31.70 1ixd n PRO 42 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ixd s PRO 43 N -4.26 2.77 0.00 0.52 0.04 -1.26 -3.35 135.00 129.46 1ixd s PRO 43 Ca 0.64 -0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.01 1ixd s PRO 43 Cb -0.23 -5.17 0.00 0.00 0.04 0.00 0.00 34.50 29.15 1ixd s PRO 43 CO 0.61 -3.26 0.00 0.41 0.04 0.00 0.00 177.00 174.80 1ixd n GLY 44 N 6.59 1.41 3.06 0.56 0.00 -1.26 -5.10 105.19 110.45 1ixd n GLY 44 Ca 0.40 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 46.05 1ixd n GLY 44 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ixd s LEU 45 N 0.00 2.81 -0.45 0.99 2.34 -1.21 -5.08 118.68 118.08 1ixd s LEU 45 Ca 0.00 -1.09 -0.28 0.00 0.06 0.00 0.00 54.13 52.82 1ixd s LEU 45 Cb 0.00 -1.44 0.00 0.00 -0.56 0.00 0.00 46.19 44.19 1ixd s LEU 45 CO 0.00 -0.14 1.53 0.21 -1.06 0.00 0.00 176.35 176.89 1ixd s ASN 46 N 1.23 6.09 -0.30 1.48 2.47 -1.26 -4.07 114.94 120.59 1ixd s ASN 46 Ca -0.04 0.73 -0.14 0.00 0.42 0.00 0.00 52.86 53.84 1ixd s ASN 46 Cb -0.17 -2.54 0.15 0.00 -1.45 0.00 0.00 41.25 37.24 1ixd s ASN 46 CO -0.08 -1.65 0.88 -1.83 -3.72 0.00 0.00 177.10 170.70 1ixd s GLU 47 N 5.43 0.39 -0.55 0.43 -1.05 -1.26 -5.09 118.70 117.00 1ixd s GLU 47 Ca 0.63 0.95 -0.26 0.00 -0.15 0.00 0.00 54.97 56.14 1ixd s GLU 47 Cb -0.14 0.53 -0.05 0.00 -0.44 0.00 0.00 34.13 34.02 1ixd s GLU 47 CO 0.30 -0.13 2.22 0.08 0.95 0.00 0.00 175.26 178.68 1ixd s VAL 48 N 2.48 3.13 -0.28 1.83 1.01 -1.26 -4.19 120.40 123.12 1ixd s VAL 48 Ca -0.04 0.06 -0.07 0.00 0.00 0.00 0.00 61.98 61.93 1ixd s VAL 48 Cb -0.08 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1ixd s VAL 48 CO -0.18 -0.32 0.08 -0.76 0.00 0.00 0.00 175.10 173.92 1ixd s LEU 49 N 11.24 3.74 -0.35 3.92 1.43 -0.27 0.85 118.68 139.24 1ixd s LEU 49 Ca 0.87 -0.59 -0.19 0.00 -1.03 0.00 0.00 54.13 53.19 1ixd s LEU 49 Cb -0.15 -1.89 -0.00 0.00 0.03 0.00 0.00 46.19 44.18 1ixd s LEU 49 CO 0.23 -0.15 0.59 0.00 0.23 0.00 0.00 176.35 177.25 1ixd s ALA 50 N 1.53 3.47 -0.21 4.21 0.00 0.14 -3.01 121.76 127.89 1ixd s ALA 50 Ca 0.04 -0.90 -0.29 0.00 0.00 0.00 0.00 51.96 50.80 1ixd s ALA 50 Cb -0.17 -3.11 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 1ixd s ALA 50 CO 0.03 -1.28 1.47 0.20 0.00 0.00 0.00 175.76 176.18 1ixd s GLY 51 N 1.77 1.37 0.03 0.00 0.00 0.20 -2.84 107.32 107.86 1ixd s GLY 51 Ca 0.22 0.42 0.01 0.00 0.00 0.00 0.00 44.72 45.37 1ixd s GLY 51 CO 0.14 2.81 0.10 1.08 0.00 0.00 0.00 173.10 177.23 1ixd s LEU 52 N 4.55 3.94 -0.34 0.66 1.43 0.28 0.11 118.68 129.30 1ixd s LEU 52 Ca 0.65 0.12 -0.05 0.00 -1.03 0.00 0.00 54.13 53.82 1ixd s LEU 52 Cb -0.23 -2.43 0.05 0.00 0.03 0.00 0.00 46.19 43.61 1ixd s LEU 52 CO 0.25 0.23 0.10 -0.70 0.23 0.00 0.00 176.35 176.46 1ixd s GLU 53 N -2.03 2.52 0.21 1.70 2.12 -0.91 0.56 118.70 122.86 1ixd s GLU 53 Ca 0.26 -1.28 -0.30 0.00 0.36 0.00 0.00 54.97 54.01 1ixd s GLU 53 Cb -0.12 -3.43 -0.09 0.00 0.26 0.00 0.00 34.13 30.75 1ixd s GLU 53 CO 0.18 -0.72 1.26 -0.51 -0.54 0.00 0.00 175.26 174.94 1ixd s LEU 54 N 1.34 4.44 0.18 2.70 1.43 -1.15 -3.58 118.68 124.04 1ixd s LEU 54 Ca -0.01 2.37 -0.07 0.00 -1.03 0.00 0.00 54.13 55.39 1ixd s LEU 54 Cb -0.20 -3.61 0.08 0.00 0.03 0.00 0.00 46.19 42.49 1ixd s LEU 54 CO 0.01 -0.45 1.54 -0.33 0.23 0.00 0.00 176.35 177.35 1ixd h GLU 55 N 5.04 0.80 -6.19 1.70 5.08 -1.91 -3.42 114.58 115.69 1ixd h GLU 55 Ca -0.45 -0.39 -0.58 0.00 -1.00 0.00 0.00 59.36 56.94 1ixd h GLU 55 Cb 1.22 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.41 1ixd h GLU 55 CO 0.75 1.03 0.84 -0.51 -1.00 0.00 0.00 179.01 180.11 1ixd s ASP 56 N -6.82 6.99 -0.67 1.42 1.11 -1.26 -4.96 116.67 112.48 1ixd s ASP 56 Ca -0.10 1.29 -0.26 0.00 0.18 0.00 0.00 52.55 53.66 1ixd s ASP 56 Cb 0.12 -2.54 -0.02 0.00 1.07 0.00 0.00 42.92 41.55 1ixd s ASP 56 CO 0.86 -0.79 1.85 -1.61 1.18 0.00 0.00 175.17 176.66 1ixd s GLU 57 N 3.47 2.64 -0.23 8.23 2.02 -1.26 -4.83 118.70 128.75 1ixd s GLU 57 Ca 0.47 0.40 -0.07 0.00 0.02 0.00 0.00 54.97 55.78 1ixd s GLU 57 Cb -0.15 -4.51 -0.03 0.00 0.10 0.00 0.00 34.13 29.54 1ixd s GLU 57 CO 0.12 -2.82 0.07 0.00 0.02 0.00 0.00 175.26 172.64 1ixd s ALA 59 N 1.19 3.62 0.00 0.00 0.00 -1.26 -3.09 121.76 122.22 1ixd s ALA 59 Ca 0.05 1.60 0.00 0.00 0.00 0.00 0.00 51.96 53.60 1ixd s ALA 59 Cb -0.14 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1ixd s ALA 59 CO 0.03 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.13 1ixd n GLY 60 N 0.77 1.39 3.82 0.00 0.00 -1.26 -5.09 105.19 104.82 1ixd n GLY 60 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1ixd n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ixd s THR 62 N -3.44 1.97 -0.36 0.00 -4.23 -1.25 -4.18 115.64 104.15 1ixd s THR 62 Ca 0.66 -1.04 0.07 0.00 -1.18 0.00 0.00 61.69 60.20 1ixd s THR 62 Cb -0.11 -2.00 0.55 0.00 1.34 0.00 0.00 72.50 72.27 1ixd s THR 62 CO 0.53 0.00 1.61 -0.90 -0.54 0.00 0.00 174.62 175.32 1ixd n ASP 63 N -2.27 3.28 0.00 3.99 5.68 -1.26 -2.23 116.55 123.73 1ixd n ASP 63 Ca 0.16 -3.75 0.00 0.00 -0.50 0.00 0.00 54.79 50.70 1ixd n ASP 63 Cb 0.62 -0.70 0.00 0.00 -1.14 0.00 0.00 41.12 39.90 1ixd n ASP 63 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ixd n GLY 64 N -1.10 0.92 2.68 6.12 0.00 -1.26 -3.66 105.19 108.88 1ixd n GLY 64 Ca 0.43 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.24 1ixd n GLY 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ixd s THR 65 N -1.62 -0.03 -0.35 2.61 -4.23 -1.26 -2.61 115.64 108.16 1ixd s THR 65 Ca 0.00 0.32 -0.11 0.00 -1.18 0.00 0.00 61.69 60.72 1ixd s THR 65 Cb 0.00 -0.25 0.01 0.00 1.34 0.00 0.00 72.50 73.59 1ixd s THR 65 CO 0.00 0.14 0.19 0.12 -0.54 0.00 0.00 174.62 174.54 1ixd s PHE 66 N 2.13 3.21 -1.43 3.99 5.36 -0.97 -4.45 117.98 125.83 1ixd s PHE 66 Ca 0.05 -0.71 -0.07 0.00 -0.96 0.00 0.00 56.93 55.24 1ixd s PHE 66 Cb -0.12 -2.42 0.01 0.00 -0.34 0.00 0.00 43.02 40.15 1ixd s PHE 66 CO -0.04 -0.54 0.97 0.54 -1.46 0.00 0.00 175.22 174.69 1ixd n ARG 67 N 5.01 -6.80 -1.98 10.12 1.74 -1.26 -1.83 116.66 121.66 1ixd n ARG 67 Ca -0.13 0.86 -0.07 0.00 -0.77 0.00 0.00 57.85 57.74 1ixd n ARG 67 Cb 0.48 -5.82 -0.01 0.00 -1.02 0.00 0.00 32.46 26.09 1ixd n ARG 67 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ixd n GLY 68 N -1.83 0.21 2.67 -0.13 0.00 -1.26 -5.01 105.19 99.85 1ixd n GLY 68 Ca -0.04 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 1ixd n GLY 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ixd s THR 69 N -2.34 0.92 0.38 2.61 2.01 -0.76 -5.12 115.64 113.34 1ixd s THR 69 Ca 0.00 -1.91 -0.28 0.00 0.31 0.00 0.00 61.69 59.81 1ixd s THR 69 Cb 0.00 -1.67 -0.11 0.00 0.01 0.00 0.00 72.50 70.73 1ixd s THR 69 CO 0.00 -0.83 1.46 -0.60 -0.69 0.00 0.00 174.62 173.96 1ixd s ARG 70 N 1.01 4.10 0.00 4.92 3.52 -1.26 -2.28 118.95 128.96 1ixd s ARG 70 Ca 0.14 2.52 0.00 0.00 -0.13 0.00 0.00 55.73 58.26 1ixd s ARG 70 Cb -0.21 -2.95 0.00 0.00 -1.56 0.00 0.00 34.95 30.23 1ixd s ARG 70 CO -0.10 -0.52 0.00 0.66 -0.81 0.00 0.00 175.30 174.53 1ixd n TYR 71 N 0.44 0.00 -4.34 5.12 4.01 -1.07 -4.95 117.16 116.36 1ixd n TYR 71 Ca 0.01 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.58 1ixd n TYR 71 Cb 0.40 0.05 -0.10 0.00 -0.31 0.00 0.00 39.34 39.38 1ixd n TYR 71 CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 1ixd s PHE 72 N -1.86 1.61 -0.38 -0.72 -0.71 -1.26 -5.00 117.98 109.67 1ixd s PHE 72 Ca 0.00 -1.17 -0.08 0.00 -1.04 0.00 0.00 56.93 54.64 1ixd s PHE 72 Cb 0.00 -0.96 0.06 0.00 -1.21 0.00 0.00 43.02 40.91 1ixd s PHE 72 CO 0.00 -0.31 0.18 0.99 -1.34 0.00 0.00 175.22 174.74 1ixd s THR 73 N -3.66 3.98 0.28 -4.49 2.01 -1.26 -4.65 115.64 107.84 1ixd s THR 73 Ca 0.37 -1.28 0.03 0.00 0.31 0.00 0.00 61.69 61.13 1ixd s THR 73 Cb 0.08 -3.35 -0.01 0.00 0.01 0.00 0.00 72.50 69.22 1ixd s THR 73 CO 0.14 -0.34 0.12 0.00 -0.69 0.00 0.00 174.62 173.85 1ixd s ALA 75 N -2.83 0.91 0.21 0.00 0.00 -1.26 -4.80 121.76 113.99 1ixd s ALA 75 Ca 0.17 -0.41 -0.22 0.00 0.00 0.00 0.00 51.96 51.51 1ixd s ALA 75 Cb 0.01 -3.10 -0.08 0.00 0.00 0.00 0.00 23.12 19.94 1ixd s ALA 75 CO 0.12 -2.89 0.75 -0.51 0.00 0.00 0.00 175.76 173.24 1ixd s LEU 76 N -6.48 4.43 -1.27 0.00 1.43 -1.26 -3.92 118.68 111.61 1ixd s LEU 76 Ca 0.66 1.51 -0.06 0.00 -1.03 0.00 0.00 54.13 55.20 1ixd s LEU 76 Cb -0.18 -3.50 0.01 0.00 0.03 0.00 0.00 46.19 42.54 1ixd s LEU 76 CO 0.57 0.09 0.85 0.29 0.23 0.00 0.00 176.35 178.38 1ixd n LYS 77 N 1.01 -6.00 -2.67 1.70 4.76 -1.08 -4.87 118.16 111.01 1ixd n LYS 77 Ca -0.03 0.76 -0.01 0.00 -2.87 0.00 0.00 58.31 56.15 1ixd n LYS 77 Cb 0.50 -5.47 0.09 0.00 -1.84 0.00 0.00 35.03 28.31 1ixd n LYS 77 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1ixd n LYS 78 N -4.15 1.45 -3.79 1.97 5.02 -1.05 -2.46 118.16 115.15 1ixd n LYS 78 Ca -0.03 -2.17 -0.28 0.00 -2.02 0.00 0.00 58.31 53.81 1ixd n LYS 78 Cb 0.57 -0.42 -0.16 0.00 -0.02 0.00 0.00 35.03 35.00 1ixd n LYS 78 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ixd s ALA 79 N -1.50 1.21 -0.10 7.82 0.00 -0.95 -2.96 121.76 125.29 1ixd s ALA 79 Ca 0.17 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.34 1ixd s ALA 79 Cb 0.38 -1.19 0.02 0.00 0.00 0.00 0.00 23.12 22.33 1ixd s ALA 79 CO -0.09 -1.09 -0.08 -1.17 0.00 0.00 0.00 175.76 173.34 1ixd s LEU 80 N 1.76 1.25 0.08 0.00 2.96 0.19 -3.74 118.68 121.17 1ixd s LEU 80 Ca -0.01 -0.27 -0.06 0.00 -0.22 0.00 0.00 54.13 53.56 1ixd s LEU 80 Cb -0.17 -0.78 -0.05 0.00 0.50 0.00 0.00 46.19 45.68 1ixd s LEU 80 CO -0.07 -0.09 0.33 -0.36 -1.32 0.00 0.00 176.35 174.83 1ixd s PHE 81 N 1.46 3.53 0.20 5.38 0.40 -1.26 1.00 117.98 128.69 1ixd s PHE 81 Ca -0.00 0.57 -0.18 0.00 -0.60 0.00 0.00 56.93 56.73 1ixd s PHE 81 Cb -0.13 -2.00 0.03 0.00 0.51 0.00 0.00 43.02 41.42 1ixd s PHE 81 CO -0.05 0.52 0.53 0.14 0.70 0.00 0.00 175.22 177.07 1ixd s VAL 82 N -1.48 0.02 -0.02 -0.44 -7.23 -1.13 -4.93 120.40 105.19 1ixd s VAL 82 Ca 0.34 -0.80 -0.30 0.00 -1.81 0.00 0.00 61.98 59.41 1ixd s VAL 82 Cb -0.13 -1.62 -0.06 0.00 0.56 0.00 0.00 36.38 35.14 1ixd s VAL 82 CO 0.21 -0.10 1.52 -0.54 -0.31 0.00 0.00 175.10 175.88 1ixd s LYS 83 N -3.88 4.23 0.33 4.82 1.02 -1.26 0.28 119.74 125.27 1ixd s LYS 83 Ca 0.10 2.08 0.01 0.00 0.02 0.00 0.00 55.97 58.18 1ixd s LYS 83 Cb -0.01 -3.74 0.55 0.00 -0.52 0.00 0.00 37.83 34.11 1ixd s LYS 83 CO -0.02 -0.71 1.96 1.25 -0.92 0.00 0.00 175.35 176.90 1ixd h LEU 84 N 9.19 0.76 -1.97 3.17 5.85 0.13 -1.27 115.31 131.16 1ixd h LEU 84 Ca -0.38 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.27 1ixd h LEU 84 Cb 1.17 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 1ixd h LEU 84 CO 0.93 0.61 -0.11 0.07 -0.34 0.00 0.00 178.44 179.60 1ixd h LYS 85 N 0.86 0.00 -0.80 1.25 -0.00 -1.90 -2.11 116.57 113.86 1ixd h LYS 85 Ca 0.22 0.00 -0.48 0.00 -0.00 0.00 0.00 60.65 60.39 1ixd h LYS 85 Cb 0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 32.23 31.97 1ixd h LYS 85 CO -0.04 0.11 0.36 0.43 -0.00 0.00 0.00 179.45 180.31 1ixd n SER 86 N -3.76 4.65 -4.48 7.07 7.64 -0.49 -4.96 113.62 119.28 1ixd n SER 86 Ca -0.02 -3.73 -0.32 0.00 1.01 0.00 0.00 58.87 55.81 1ixd n SER 86 Cb 0.21 -0.77 -0.13 0.00 -1.01 0.00 0.00 64.21 62.51 1ixd n SER 86 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ixd s ARG 88 N -1.10 2.80 -0.36 0.00 1.81 0.01 -4.92 118.95 117.19 1ixd s ARG 88 Ca 0.13 -0.61 -0.29 0.00 -1.72 0.00 0.00 55.73 53.24 1ixd s ARG 88 Cb -0.11 -2.68 -0.01 0.00 -0.45 0.00 0.00 34.95 31.71 1ixd s ARG 88 CO 0.03 0.62 1.60 -1.25 -0.68 0.00 0.00 175.30 175.62 1ixd s PRO 89 N -1.63 3.49 0.13 3.54 0.04 -1.26 -0.18 135.00 139.13 1ixd s PRO 89 Ca 0.20 1.21 -0.31 0.00 0.04 0.00 0.00 61.00 62.15 1ixd s PRO 89 Cb -0.12 -4.10 -0.07 0.00 0.04 0.00 0.00 34.50 30.25 1ixd s PRO 89 CO 0.11 -1.66 1.27 0.34 0.04 0.00 0.00 177.00 177.10 1ixd s ASP 90 N 4.88 6.97 -0.31 6.66 2.15 -1.11 -4.84 116.67 131.07 1ixd s ASP 90 Ca 0.70 2.22 0.08 0.00 0.43 0.00 0.00 52.55 55.99 1ixd s ASP 90 Cb -0.18 -2.59 0.52 0.00 -0.30 0.00 0.00 42.92 40.37 1ixd s ASP 90 CO 0.33 -0.51 1.51 -0.24 -0.17 0.00 0.00 175.17 176.09 1ixd n SER 91 N 3.38 2.61 -0.12 -0.34 2.88 -1.26 -4.70 113.62 116.07 1ixd n SER 91 Ca 0.08 -3.79 -0.09 0.00 -1.33 0.00 0.00 58.87 53.75 1ixd n SER 91 Cb 0.44 -0.66 -0.01 0.00 -0.75 0.00 0.00 64.21 63.23 1ixd n SER 91 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1ixd h ARG 92 N 1.02 0.54 -0.57 -1.46 3.08 -1.97 -2.86 114.38 112.16 1ixd h ARG 92 Ca 0.27 -0.08 -0.16 0.00 0.07 0.00 0.00 59.98 60.07 1ixd h ARG 92 Cb 1.77 -0.10 -0.10 0.00 0.08 0.00 0.00 29.97 31.63 1ixd h ARG 92 CO 0.47 0.49 0.15 1.19 -1.07 0.00 0.00 179.97 181.21 1ixd n PHE 93 N -4.71 1.90 -3.72 3.04 3.01 -1.26 -4.94 117.46 110.77 1ixd n PHE 93 Ca -0.01 -1.19 -0.37 0.00 1.01 0.00 0.00 57.45 56.90 1ixd n PHE 93 Cb 0.12 -0.57 -0.11 0.00 -0.01 0.00 0.00 39.48 38.91 1ixd n PHE 93 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ixd s ALA 94 N -3.00 3.45 0.51 4.37 0.00 -1.08 -5.09 121.76 120.92 1ixd s ALA 94 Ca 0.51 -0.98 -0.19 0.00 0.00 0.00 0.00 51.96 51.30 1ixd s ALA 94 Cb 0.41 -2.24 -0.07 0.00 0.00 0.00 0.00 23.12 21.22 1ixd s ALA 94 CO 0.10 -0.30 1.02 -1.12 0.00 0.00 0.00 175.76 175.47 1ixd s SER 95 N 1.26 6.32 -0.56 0.00 0.01 -1.26 -4.96 113.70 114.52 1ixd s SER 95 Ca 0.06 1.80 -0.01 0.00 1.31 0.00 0.00 55.95 59.12 1ixd s SER 95 Cb -0.14 -2.54 0.42 0.00 0.21 0.00 0.00 66.02 63.97 1ixd s SER 95 CO 0.05 -0.79 2.00 -0.11 0.41 0.00 0.00 173.24 174.80 1ixd n LEU 96 N -1.31 7.26 -3.52 2.44 0.00 -1.26 -4.75 117.00 115.86 1ixd n LEU 96 Ca 0.08 -3.95 -0.29 0.00 0.00 0.00 0.00 56.01 51.85 1ixd n LEU 96 Cb 0.53 -0.97 -0.13 0.00 0.00 0.00 0.00 43.42 42.85 1ixd n LEU 96 CO 0.42 1.35 -0.32 -1.10 0.00 0.00 0.00 177.39 177.75 1ixd s GLN 97 N -3.29 0.50 0.49 1.96 -0.21 -1.26 -5.14 119.66 112.72 1ixd s GLN 97 Ca 0.56 -1.12 -0.20 0.00 0.02 0.00 0.00 55.36 54.62 1ixd s GLN 97 Cb 0.44 -1.37 -0.08 0.00 1.00 0.00 0.00 33.01 33.00 1ixd s GLN 97 CO 0.01 -1.14 1.06 -1.25 -2.12 0.00 0.00 175.29 171.85 1ixd s PRO 98 N 1.37 3.72 -1.24 2.91 0.04 -1.26 -4.95 135.00 135.60 1ixd s PRO 98 Ca 0.15 1.43 -0.19 0.00 0.04 0.00 0.00 61.00 62.43 1ixd s PRO 98 Cb -0.21 -2.11 0.06 0.00 0.04 0.00 0.00 34.50 32.29 1ixd s PRO 98 CO -0.12 -0.51 1.68 0.45 0.04 0.00 0.00 177.00 178.54 1ixd s SER 99 N -1.90 6.73 0.20 6.66 0.15 -1.26 -4.97 113.70 119.31 1ixd s SER 99 Ca 0.68 -2.21 0.01 0.00 0.70 0.00 0.00 55.95 55.13 1ixd s SER 99 Cb -0.19 -2.58 -0.04 0.00 -1.71 0.00 0.00 66.02 61.51 1ixd s SER 99 CO 0.22 -1.28 0.35 -0.83 1.20 0.00 0.00 173.24 172.91 1ixd s GLY 100 N 4.44 1.65 0.30 9.45 0.00 -1.26 -5.01 107.32 116.88 1ixd s GLY 100 Ca 0.53 -0.97 0.09 0.00 0.00 0.00 0.00 44.72 44.36 1ixd s GLY 100 CO 0.04 -0.95 1.68 -0.56 0.00 0.00 0.00 173.10 173.32 1ixd h PRO 101 N 1.86 0.13 -5.76 2.90 0.13 -2.07 -3.45 132.00 125.74 1ixd h PRO 101 Ca -0.49 -0.07 -0.49 0.00 -0.87 0.00 0.00 66.00 64.09 1ixd h PRO 101 Cb 1.20 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.16 1ixd h PRO 101 CO 0.67 0.59 -0.77 -1.54 -0.23 0.00 0.00 178.00 176.72 1ixd s SER 102 N -6.89 2.55 -0.23 1.44 1.04 -1.26 -5.13 113.70 105.22 1ixd s SER 102 Ca -0.03 -0.90 -0.01 0.00 0.48 0.00 0.00 55.95 55.49 1ixd s SER 102 Cb 0.13 -0.14 0.07 0.00 0.10 0.00 0.00 66.02 66.18 1ixd s SER 102 CO 0.76 -0.09 0.03 -0.55 0.98 0.00 0.00 173.24 174.38 1ixd s SER 103 N -2.80 3.43 0.00 7.02 0.15 -1.26 -5.14 113.70 115.09 1ixd s SER 103 Ca 0.16 -1.12 0.28 0.00 0.70 0.00 0.00 55.95 55.97 1ixd s SER 103 Cb -0.04 -0.81 1.00 0.00 -1.71 0.00 0.00 66.02 64.46 1ixd s SER 103 CO 0.06 -0.32 1.72 0.61 1.20 0.00 0.00 173.24 176.51