#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 -8.54 -2.59 1.61 7.64 -1.26 -4.89 113.62 105.59 1ixd n SER 2 Ca 0.00 1.37 -0.03 0.00 1.01 0.00 0.00 58.87 61.22 1ixd n SER 2 Cb 0.00 -4.78 -0.03 0.00 -1.01 0.00 0.00 64.21 58.39 1ixd n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ixd n SER 3 N 1.74 -3.60 -3.01 6.43 2.88 -1.26 -5.08 113.62 111.74 1ixd n SER 3 Ca 0.00 1.32 -0.12 0.00 -1.33 0.00 0.00 58.87 58.74 1ixd n SER 3 Cb 0.00 -5.10 -0.01 0.00 -0.75 0.00 0.00 64.21 58.36 1ixd n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ixd s GLY 4 N -1.04 0.99 -0.01 0.46 0.00 -1.26 -5.06 107.32 101.40 1ixd s GLY 4 Ca -0.16 -1.18 -0.21 0.00 0.00 0.00 0.00 44.72 43.18 1ixd s GLY 4 CO 0.76 -0.67 1.08 1.76 0.00 0.00 0.00 173.10 176.02 1ixd h SER 5 N 2.04 0.49 -3.48 1.64 0.02 -2.03 -3.50 113.55 108.73 1ixd h SER 5 Ca -0.31 -0.77 0.37 0.00 -0.84 0.00 0.00 61.79 60.24 1ixd h SER 5 Cb 1.24 -0.15 -0.15 0.00 0.14 0.00 0.00 62.40 63.48 1ixd h SER 5 CO 0.40 1.20 -0.96 -0.24 -1.14 0.00 0.00 176.83 176.08 1ixd n SER 6 N -4.25 -8.67 -4.94 3.07 2.88 -1.26 -4.91 113.62 95.54 1ixd n SER 6 Ca -0.10 1.10 -0.22 0.00 -1.33 0.00 0.00 58.87 58.31 1ixd n SER 6 Cb 0.66 -4.76 -0.03 0.00 -0.75 0.00 0.00 64.21 59.33 1ixd n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ixd s GLY 7 N -7.27 1.34 -0.18 0.46 0.00 -1.26 -5.03 107.32 95.37 1ixd s GLY 7 Ca 0.00 -1.22 0.14 0.00 0.00 0.00 0.00 44.72 43.64 1ixd s GLY 7 CO 0.00 -1.24 0.03 1.04 0.00 0.00 0.00 173.10 172.93 1ixd n LEU 8 N -1.20 0.36 -1.94 0.66 4.77 -1.26 -5.10 117.00 113.29 1ixd n LEU 8 Ca -0.08 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1ixd n LEU 8 Cb 0.57 0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.95 1ixd n LEU 8 CO 0.45 0.50 -0.44 0.00 -1.33 0.00 0.00 177.39 176.57 1ixd n ALA 9 N -2.73 -2.12 -3.80 -1.18 0.00 -1.26 -4.96 120.51 104.45 1ixd n ALA 9 Ca -0.31 0.44 -0.28 0.00 0.00 0.00 0.00 53.44 53.29 1ixd n ALA 9 Cb 1.07 -1.38 -0.12 0.00 0.00 0.00 0.00 19.45 19.03 1ixd n ALA 9 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1ixd s MET 10 N -0.85 2.16 0.15 0.00 1.00 -0.81 -4.96 119.30 115.97 1ixd s MET 10 Ca 0.00 -3.11 -0.17 0.00 0.00 0.00 0.00 55.69 52.41 1ixd s MET 10 Cb 0.00 -3.02 0.02 0.00 0.00 0.00 0.00 34.83 31.83 1ixd s MET 10 CO 0.00 -1.31 1.78 -1.35 0.00 0.00 0.00 175.02 174.14 1ixd h PRO 11 N 5.43 0.34 -0.13 2.03 0.11 -1.83 -1.97 132.00 135.97 1ixd h PRO 11 Ca 0.17 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.30 1ixd h PRO 11 Cb 0.78 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 1ixd h PRO 11 CO 0.65 0.22 0.28 -1.35 -0.21 0.00 0.00 178.00 177.59 1ixd h PRO 12 N 0.35 0.00 -4.90 1.05 0.11 -1.93 -3.35 132.00 123.33 1ixd h PRO 12 Ca 0.14 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.58 1ixd h PRO 12 Cb 0.05 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 30.87 1ixd h PRO 12 CO -0.09 0.00 -0.69 0.20 -0.21 0.00 0.00 178.00 177.20 1ixd s GLY 13 N -3.90 1.68 0.00 -0.55 0.00 -0.74 -4.90 107.32 98.91 1ixd s GLY 13 Ca -0.04 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.31 1ixd s GLY 13 CO 0.42 0.54 0.00 0.70 0.00 0.00 0.00 173.10 174.75 1ixd n ASN 14 N 4.78 0.00 0.01 1.64 3.02 -1.26 -3.83 115.26 119.61 1ixd n ASN 14 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 1ixd n ASN 14 Cb 0.48 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 1ixd n ASN 14 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1ixd n SER 15 N 1.66 -0.15 0.00 6.41 7.64 -1.26 -5.03 113.62 122.90 1ixd n SER 15 Ca 0.00 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1ixd n SER 15 Cb 0.00 0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 1ixd n SER 15 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1ixd n HIS 16 N -2.29 -0.03 0.00 1.43 8.25 -1.25 -3.74 115.22 117.59 1ixd n HIS 16 Ca 0.00 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1ixd n HIS 16 Cb 0.00 0.50 0.00 0.00 1.12 0.00 0.00 29.99 31.61 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 1.52 -1.77 3.47 -1.41 0.00 -1.26 -1.93 105.19 103.80 1ixd n GLY 17 Ca 0.00 0.70 -0.43 0.00 0.00 0.00 0.00 46.02 46.29 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 0.00 4.29 0.28 0.99 1.43 -1.26 -4.89 118.68 119.51 1ixd s LEU 18 Ca 0.00 -1.19 0.02 0.00 -1.03 0.00 0.00 54.13 51.94 1ixd s LEU 18 Cb 0.00 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.74 1ixd s LEU 18 CO 0.00 -1.42 0.25 -1.83 0.23 0.00 0.00 176.35 173.58 1ixd s GLU 19 N 4.07 1.55 0.25 1.70 4.04 -1.26 -5.08 118.70 123.96 1ixd s GLU 19 Ca 0.28 -1.81 -0.31 0.00 0.04 0.00 0.00 54.97 53.17 1ixd s GLU 19 Cb -0.12 0.32 -0.12 0.00 0.02 0.00 0.00 34.13 34.23 1ixd s GLU 19 CO 0.05 -0.56 1.58 0.28 -1.84 0.00 0.00 175.26 174.76 1ixd n VAL 20 N -0.47 0.67 0.00 1.83 0.31 -1.26 -1.79 118.33 117.62 1ixd n VAL 20 Ca 0.04 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1ixd n VAL 20 Cb 0.64 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 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 2.68 3.00 3.86 2.92 0.00 -0.30 -4.99 105.19 112.35 1ixd n GLY 21 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 0.52 6.56 0.25 1.61 0.01 -0.74 -4.77 113.70 117.14 1ixd s SER 22 Ca 0.00 1.35 -0.09 0.00 1.31 0.00 0.00 55.95 58.52 1ixd s SER 22 Cb 0.00 -2.42 -0.07 0.00 0.21 0.00 0.00 66.02 63.74 1ixd s SER 22 CO 0.00 -0.51 0.57 -0.76 0.41 0.00 0.00 173.24 172.95 1ixd s LEU 23 N -4.02 4.13 0.14 2.44 1.43 -1.26 -0.47 118.68 121.07 1ixd s LEU 23 Ca 0.55 0.91 -0.19 0.00 -1.03 0.00 0.00 54.13 54.36 1ixd s LEU 23 Cb -0.10 -3.69 0.05 0.00 0.03 0.00 0.00 46.19 42.48 1ixd s LEU 23 CO 0.32 -0.11 0.50 0.00 0.23 0.00 0.00 176.35 177.29 1ixd s ALA 24 N -1.89 -1.25 0.35 4.21 0.00 -0.97 -2.72 121.76 119.48 1ixd s ALA 24 Ca 0.47 0.22 0.09 0.00 0.00 0.00 0.00 51.96 52.74 1ixd s ALA 24 Cb -0.11 0.78 -0.06 0.00 0.00 0.00 0.00 23.12 23.73 1ixd s ALA 24 CO 0.23 -0.70 0.01 -2.00 0.00 0.00 0.00 175.76 173.30 1ixd s GLU 25 N -3.74 2.05 -0.03 0.00 2.12 0.17 -3.64 118.70 115.62 1ixd s GLU 25 Ca 0.02 -1.79 0.04 0.00 0.36 0.00 0.00 54.97 53.59 1ixd s GLU 25 Cb 0.00 -1.89 -0.00 0.00 0.26 0.00 0.00 34.13 32.50 1ixd s GLU 25 CO -0.12 0.12 -0.13 0.08 -0.54 0.00 0.00 175.26 174.66 1ixd s VAL 26 N -2.54 1.09 -1.01 3.70 1.01 -1.26 -1.41 120.40 119.97 1ixd s VAL 26 Ca 0.35 -0.55 -0.23 0.00 0.00 0.00 0.00 61.98 61.55 1ixd s VAL 26 Cb 0.01 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 1ixd s VAL 26 CO 0.19 0.32 1.81 -0.54 0.00 0.00 0.00 175.10 176.88 1ixd s LYS 27 N 0.00 2.90 0.09 2.72 1.02 -1.26 -4.89 119.74 120.32 1ixd s LYS 27 Ca -0.01 -0.77 -0.01 0.00 0.02 0.00 0.00 55.97 55.20 1ixd s LYS 27 Cb -0.09 -5.20 -0.04 0.00 -0.52 0.00 0.00 37.83 31.98 1ixd s LYS 27 CO 0.01 -3.13 0.01 -2.00 -0.92 0.00 0.00 175.35 169.32 1ixd s GLU 28 N 6.23 0.77 0.09 1.68 -6.30 -1.26 -5.07 118.70 114.83 1ixd s GLU 28 Ca 0.63 -1.33 -0.27 0.00 -2.50 0.00 0.00 54.97 51.50 1ixd s GLU 28 Cb -0.03 0.22 -0.15 0.00 0.00 0.00 0.00 34.13 34.17 1ixd s GLU 28 CO 0.00 -0.18 1.69 -0.91 0.02 0.00 0.00 175.26 175.88 1ixd h ASN 29 N 3.01 -0.36 -3.22 -1.70 2.35 -2.04 -3.40 115.58 110.22 1ixd h ASN 29 Ca -0.35 0.02 -0.57 0.00 -0.55 0.00 0.00 56.30 54.86 1ixd h ASN 29 Cb 1.17 0.11 -0.05 0.00 0.05 0.00 0.00 38.32 39.60 1ixd h ASN 29 CO 0.63 -0.23 1.05 -2.16 -1.65 0.00 0.00 177.43 175.07 1ixd s PRO 30 N -6.13 3.66 -0.80 0.81 0.04 -1.26 -4.94 135.00 126.38 1ixd s PRO 30 Ca -0.15 1.04 -0.25 0.00 0.04 0.00 0.00 61.00 61.68 1ixd s PRO 30 Cb 0.06 -3.99 -0.09 0.00 0.04 0.00 0.00 34.50 30.51 1ixd s PRO 30 CO 0.65 -1.46 2.20 -2.14 0.04 0.00 0.00 177.00 176.30 1ixd s PRO 31 N 4.75 2.05 -0.01 0.56 0.02 -1.26 -4.92 135.00 136.19 1ixd s PRO 31 Ca 0.61 0.28 0.08 0.00 0.02 0.00 0.00 61.00 61.98 1ixd s PRO 31 Cb -0.15 -4.85 -0.02 0.00 0.02 0.00 0.00 34.50 29.50 1ixd s PRO 31 CO 0.30 -3.86 -0.26 -0.59 -0.33 0.00 0.00 177.00 172.27 1ixd s PHE 32 N 12.50 2.34 0.01 6.54 -0.12 -1.26 -5.12 117.98 132.88 1ixd s PHE 32 Ca 0.83 -0.43 0.05 0.00 -0.05 0.00 0.00 56.93 57.34 1ixd s PHE 32 Cb -0.11 -1.49 -0.03 0.00 -0.63 0.00 0.00 43.02 40.76 1ixd s PHE 32 CO 0.07 -0.01 -0.14 0.71 -0.05 0.00 0.00 175.22 175.80 1ixd s TYR 33 N -0.65 2.68 0.34 3.49 2.02 -1.26 -4.54 117.35 119.44 1ixd s TYR 33 Ca 0.10 -0.18 -0.14 0.00 -0.37 0.00 0.00 57.07 56.49 1ixd s TYR 33 Cb -0.10 -1.53 0.03 0.00 -0.40 0.00 0.00 41.96 39.96 1ixd s TYR 33 CO -0.00 0.27 0.68 0.20 -1.57 0.00 0.00 175.55 175.14 1ixd s GLY 34 N -1.31 0.50 0.07 0.71 0.00 -1.24 -2.47 107.32 103.58 1ixd s GLY 34 Ca 0.15 -0.81 0.10 0.00 0.00 0.00 0.00 44.72 44.15 1ixd s GLY 34 CO 0.05 -0.43 -0.26 0.54 0.00 0.00 0.00 173.10 173.01 1ixd s VAL 35 N -2.96 2.23 0.25 1.40 0.11 -1.24 -2.29 120.40 117.91 1ixd s VAL 35 Ca 0.18 -1.48 -0.30 0.00 -2.93 0.00 0.00 61.98 57.46 1ixd s VAL 35 Cb -0.04 -1.91 -0.10 0.00 -1.53 0.00 0.00 36.38 32.81 1ixd s VAL 35 CO 0.12 0.29 1.40 -0.63 -3.33 0.00 0.00 175.10 172.95 1ixd s ILE 36 N -0.88 2.76 0.02 7.04 1.01 0.38 -2.59 121.20 128.94 1ixd s ILE 36 Ca 0.13 0.65 -0.01 0.00 0.00 0.00 0.00 60.65 61.42 1ixd s ILE 36 Cb -0.10 -3.42 -0.00 0.00 0.01 0.00 0.00 42.46 38.95 1ixd s ILE 36 CO 0.03 0.11 -0.01 0.54 0.00 0.00 0.00 174.94 175.61 1ixd n ARG 37 N 2.23 0.02 -5.14 2.79 5.12 0.31 -1.15 116.66 120.82 1ixd n ARG 37 Ca 0.06 0.01 -0.31 0.00 -1.93 0.00 0.00 57.85 55.68 1ixd n ARG 37 Cb 0.41 -0.24 -0.17 0.00 -1.16 0.00 0.00 32.46 31.30 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 -1.37 2.38 -0.28 -1.55 -0.00 -1.24 -4.68 118.94 112.19 1ixd s TRP 38 Ca -0.01 -0.92 0.02 0.00 -0.00 0.00 0.00 56.10 55.20 1ixd s TRP 38 Cb 0.00 -1.60 0.08 0.00 -0.00 0.00 0.00 33.47 31.95 1ixd s TRP 38 CO 0.02 -0.36 -0.03 0.42 -0.00 0.00 0.00 176.95 177.00 1ixd s ILE 39 N 0.28 1.94 0.00 5.86 1.01 -1.26 0.66 121.20 129.70 1ixd s ILE 39 Ca -0.15 -1.75 0.00 0.00 0.00 0.00 0.00 60.65 58.75 1ixd s ILE 39 Cb -0.17 -2.24 0.00 0.00 0.01 0.00 0.00 42.46 40.06 1ixd s ILE 39 CO 0.07 -0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.34 1ixd n GLY 40 N 4.46 1.75 2.89 6.18 0.00 -1.16 -4.92 105.19 114.39 1ixd n GLY 40 Ca -0.07 -0.90 -0.28 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.32 1.43 0.92 1.61 -0.21 -1.26 -1.29 119.66 119.54 1ixd s GLN 41 Ca 0.00 -0.50 -0.11 0.00 0.02 0.00 0.00 55.36 54.77 1ixd s GLN 41 Cb 0.00 -1.98 0.10 0.00 1.00 0.00 0.00 33.01 32.14 1ixd s GLN 41 CO 0.00 -0.42 0.91 -2.30 -2.12 0.00 0.00 175.29 171.35 1ixd n PRO 42 N 4.88 -0.34 -2.17 2.91 -0.02 -1.26 -4.84 135.00 134.16 1ixd n PRO 42 Ca -0.12 -0.04 -0.30 0.00 -2.02 0.00 0.00 63.50 61.02 1ixd n PRO 42 Cb 0.48 -2.21 -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 -4.24 2.80 0.00 0.52 0.04 -1.26 -3.35 135.00 129.50 1ixd s PRO 43 Ca 0.64 -0.71 0.00 0.00 0.04 0.00 0.00 61.00 60.97 1ixd s PRO 43 Cb -0.23 -5.18 0.00 0.00 0.04 0.00 0.00 34.50 29.13 1ixd s PRO 43 CO 0.60 -3.25 0.00 0.41 0.04 0.00 0.00 177.00 174.81 1ixd n GLY 44 N 6.56 1.39 3.06 0.56 0.00 -1.26 -5.10 105.19 110.39 1ixd n GLY 44 Ca 0.40 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.13 1.54 0.21 -1.06 0.00 0.00 176.35 176.90 1ixd s ASN 46 N 1.23 6.08 -0.30 1.48 2.47 -1.26 -4.09 114.94 120.55 1ixd s ASN 46 Ca -0.04 0.74 -0.14 0.00 0.42 0.00 0.00 52.86 53.85 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 5.44 0.39 -0.55 0.43 -1.05 -1.26 -5.10 118.70 117.00 1ixd s GLU 47 Ca 0.64 0.95 -0.26 0.00 -0.15 0.00 0.00 54.97 56.14 1ixd s GLU 47 Cb -0.15 0.53 -0.04 0.00 -0.44 0.00 0.00 34.13 34.03 1ixd s GLU 47 CO 0.30 -0.13 2.08 0.08 0.95 0.00 0.00 175.26 178.54 1ixd s VAL 48 N 2.47 3.22 -0.27 1.83 1.01 -1.26 -4.17 120.40 123.24 1ixd s VAL 48 Ca -0.04 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 1ixd s VAL 48 Cb -0.08 -3.56 -0.00 0.00 0.00 0.00 0.00 36.38 32.74 1ixd s VAL 48 CO -0.18 -0.54 0.04 -0.76 0.00 0.00 0.00 175.10 173.67 1ixd s LEU 49 N 10.25 3.52 -0.35 3.92 1.43 -0.41 0.95 118.68 137.99 1ixd s LEU 49 Ca 0.80 -0.54 -0.19 0.00 -1.03 0.00 0.00 54.13 53.17 1ixd s LEU 49 Cb -0.15 -1.85 -0.00 0.00 0.03 0.00 0.00 46.19 44.22 1ixd s LEU 49 CO 0.23 -0.12 0.57 0.00 0.23 0.00 0.00 176.35 177.27 1ixd s ALA 50 N 1.51 3.47 -0.28 4.21 0.00 0.90 -3.00 121.76 128.56 1ixd s ALA 50 Ca 0.04 -0.92 -0.29 0.00 0.00 0.00 0.00 51.96 50.79 1ixd s ALA 50 Cb -0.16 -3.09 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 1ixd s ALA 50 CO 0.01 -1.26 1.69 0.20 0.00 0.00 0.00 175.76 176.40 1ixd s GLY 51 N 1.77 1.02 0.01 0.00 0.00 0.21 -3.08 107.32 107.25 1ixd s GLY 51 Ca 0.21 0.34 -0.00 0.00 0.00 0.00 0.00 44.72 45.28 1ixd s GLY 51 CO 0.14 3.11 0.10 1.08 0.00 0.00 0.00 173.10 177.53 1ixd s LEU 52 N 5.97 3.98 -0.33 0.66 1.43 0.75 0.11 118.68 131.25 1ixd s LEU 52 Ca 0.75 0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 53.97 1ixd s LEU 52 Cb -0.23 -2.41 0.06 0.00 0.03 0.00 0.00 46.19 43.64 1ixd s LEU 52 CO 0.32 0.25 0.07 -0.70 0.23 0.00 0.00 176.35 176.51 1ixd s GLU 53 N -1.93 2.39 0.28 1.70 2.12 -1.07 0.67 118.70 122.86 1ixd s GLU 53 Ca 0.25 -1.36 -0.29 0.00 0.36 0.00 0.00 54.97 53.93 1ixd s GLU 53 Cb -0.12 -3.33 -0.10 0.00 0.26 0.00 0.00 34.13 30.83 1ixd s GLU 53 CO 0.17 -0.72 1.38 -0.51 -0.54 0.00 0.00 175.26 175.03 1ixd s LEU 54 N 1.27 4.40 0.25 2.70 1.43 -1.08 -3.60 118.68 124.04 1ixd s LEU 54 Ca -0.02 2.67 0.06 0.00 -1.03 0.00 0.00 54.13 55.81 1ixd s LEU 54 Cb -0.20 -3.63 0.28 0.00 0.03 0.00 0.00 46.19 42.67 1ixd s LEU 54 CO -0.01 -0.63 1.58 -0.33 0.23 0.00 0.00 176.35 177.19 1ixd h GLU 55 N 4.35 0.18 -5.66 1.70 4.39 -1.83 -3.43 114.58 114.28 1ixd h GLU 55 Ca -0.47 -0.12 -0.58 0.00 0.34 0.00 0.00 59.36 58.53 1ixd h GLU 55 Cb 1.22 0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 29.80 1ixd h GLU 55 CO 0.72 0.73 -0.17 0.34 -1.16 0.00 0.00 179.01 179.47 1ixd s ASP 56 N -6.89 6.62 -0.50 1.42 2.15 -1.26 -5.01 116.67 113.20 1ixd s ASP 56 Ca -0.03 0.73 -0.27 0.00 0.43 0.00 0.00 52.55 53.41 1ixd s ASP 56 Cb 0.12 -2.27 -0.02 0.00 -0.30 0.00 0.00 42.92 40.45 1ixd s ASP 56 CO 0.79 -0.00 1.88 -1.61 -0.17 0.00 0.00 175.17 176.05 1ixd s GLU 57 N 0.72 2.85 -0.13 4.34 2.02 -1.26 -4.85 118.70 122.38 1ixd s GLU 57 Ca 0.24 0.98 -0.04 0.00 0.02 0.00 0.00 54.97 56.17 1ixd s GLU 57 Cb -0.15 -4.33 -0.03 0.00 0.10 0.00 0.00 34.13 29.72 1ixd s GLU 57 CO 0.09 -2.45 -0.01 0.00 0.02 0.00 0.00 175.26 172.91 1ixd s ALA 59 N -0.10 3.54 0.00 0.00 0.00 -1.26 -3.73 121.76 120.21 1ixd s ALA 59 Ca 0.04 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.15 1ixd s ALA 59 Cb -0.13 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1ixd s ALA 59 CO 0.02 -0.57 0.00 0.41 0.00 0.00 0.00 175.76 175.62 1ixd n GLY 60 N 2.19 1.87 3.25 0.00 0.00 -1.26 -5.12 105.19 106.13 1ixd n GLY 60 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 1ixd n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ixd n THR 62 N -0.20 0.00 -1.48 0.00 -2.24 -1.24 -4.10 114.28 105.02 1ixd n THR 62 Ca -0.10 -1.48 -0.20 0.00 -2.27 0.00 0.00 64.05 60.00 1ixd n THR 62 Cb 0.61 -0.75 0.14 0.00 -2.10 0.00 0.00 70.33 68.23 1ixd n THR 62 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ixd n ASP 63 N -2.64 4.44 0.00 3.42 5.68 -1.26 -2.08 116.55 124.11 1ixd n ASP 63 Ca 0.14 -3.75 0.00 0.00 -0.50 0.00 0.00 54.79 50.68 1ixd n ASP 63 Cb 0.49 -0.72 0.00 0.00 -1.14 0.00 0.00 41.12 39.76 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 -1.01 0.79 2.87 6.12 0.00 -1.26 -3.21 105.19 109.48 1ixd n GLY 64 Ca 0.48 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.02 -0.04 -0.25 2.61 -4.23 -1.26 -3.20 115.64 108.25 1ixd s THR 65 Ca 0.00 0.14 0.03 0.00 -1.18 0.00 0.00 61.69 60.67 1ixd s THR 65 Cb 0.00 -0.13 0.05 0.00 1.34 0.00 0.00 72.50 73.76 1ixd s THR 65 CO 0.00 0.06 -0.12 0.12 -0.54 0.00 0.00 174.62 174.13 1ixd s PHE 66 N 0.77 3.19 -1.49 3.99 5.36 -1.03 -4.69 117.98 124.08 1ixd s PHE 66 Ca -0.06 -2.20 -0.06 0.00 -0.96 0.00 0.00 56.93 53.65 1ixd s PHE 66 Cb -0.09 -1.93 0.01 0.00 -0.34 0.00 0.00 43.02 40.67 1ixd s PHE 66 CO -0.03 -0.87 0.73 0.54 -1.46 0.00 0.00 175.22 174.14 1ixd n ARG 67 N 4.47 -5.56 -1.94 10.12 1.74 -1.26 -1.78 116.66 122.46 1ixd n ARG 67 Ca -0.15 0.88 -0.06 0.00 -0.77 0.00 0.00 57.85 57.76 1ixd n ARG 67 Cb 0.43 -5.76 -0.01 0.00 -1.02 0.00 0.00 32.46 26.11 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 -1.63 0.26 2.69 -0.13 0.00 -1.26 -5.01 105.19 100.10 1ixd n GLY 68 Ca -0.08 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.27 1.01 0.12 2.61 2.01 -0.73 -5.11 115.64 113.28 1ixd s THR 69 Ca 0.00 -1.95 -0.31 0.00 0.31 0.00 0.00 61.69 59.74 1ixd s THR 69 Cb 0.00 -1.73 -0.09 0.00 0.01 0.00 0.00 72.50 70.69 1ixd s THR 69 CO 0.00 -0.82 1.66 -0.60 -0.69 0.00 0.00 174.62 174.18 1ixd s ARG 70 N 0.98 4.19 -0.10 4.92 3.52 -1.26 -2.47 118.95 128.73 1ixd s ARG 70 Ca 0.14 2.40 0.01 0.00 -0.13 0.00 0.00 55.73 58.15 1ixd s ARG 70 Cb -0.21 -3.43 -0.07 0.00 -1.56 0.00 0.00 34.95 29.68 1ixd s ARG 70 CO -0.10 -0.72 -0.09 0.66 -0.81 0.00 0.00 175.30 174.24 1ixd n TYR 71 N 5.03 0.00 -4.21 5.12 4.01 -1.19 -4.99 117.16 120.93 1ixd n TYR 71 Ca 0.16 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.77 1ixd n TYR 71 Cb 0.39 -0.39 -0.10 0.00 -0.31 0.00 0.00 39.34 38.93 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 -2.20 1.17 -0.32 -0.72 -0.71 -1.26 -4.98 117.98 108.96 1ixd s PHE 72 Ca -0.14 -1.32 -0.08 0.00 -1.04 0.00 0.00 56.93 54.34 1ixd s PHE 72 Cb 0.04 -0.60 0.01 0.00 -1.21 0.00 0.00 43.02 41.26 1ixd s PHE 72 CO 0.23 -0.57 0.13 -0.08 -1.34 0.00 0.00 175.22 173.59 1ixd s THR 73 N -4.08 4.28 0.28 -4.49 -1.32 -1.26 -4.60 115.64 104.46 1ixd s THR 73 Ca 0.36 -0.66 0.03 0.00 -1.21 0.00 0.00 61.69 60.22 1ixd s THR 73 Cb 0.07 -3.25 -0.01 0.00 -1.51 0.00 0.00 72.50 67.80 1ixd s THR 73 CO 0.11 0.00 0.12 0.00 -2.21 0.00 0.00 174.62 172.64 1ixd n ALA 75 N -1.56 -3.38 -2.62 0.00 0.00 -1.26 -4.76 120.51 106.93 1ixd n ALA 75 Ca -0.11 -1.38 -0.38 0.00 0.00 0.00 0.00 53.44 51.58 1ixd n ALA 75 Cb 0.44 -0.10 -0.06 0.00 0.00 0.00 0.00 19.45 19.72 1ixd n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ixd s LEU 76 N 0.00 4.38 -1.36 0.00 1.43 -1.26 -4.17 118.68 117.69 1ixd s LEU 76 Ca 0.60 0.81 -0.07 0.00 -1.03 0.00 0.00 54.13 54.44 1ixd s LEU 76 Cb -0.07 -2.54 0.01 0.00 0.03 0.00 0.00 46.19 43.61 1ixd s LEU 76 CO 0.47 0.21 0.93 0.29 0.23 0.00 0.00 176.35 178.47 1ixd n LYS 77 N 2.63 -6.52 -2.77 1.70 4.76 -1.17 -4.90 118.16 111.89 1ixd n LYS 77 Ca -0.12 0.82 -0.02 0.00 -2.87 0.00 0.00 58.31 56.12 1ixd n LYS 77 Cb 0.52 -5.69 0.08 0.00 -1.84 0.00 0.00 35.03 28.10 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 -4.45 1.55 -3.77 1.97 5.02 -1.06 -2.68 118.16 114.73 1ixd n LYS 78 Ca -0.03 -2.69 -0.28 0.00 -2.02 0.00 0.00 58.31 53.28 1ixd n LYS 78 Cb 0.58 -0.87 -0.16 0.00 -0.02 0.00 0.00 35.03 34.55 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 -2.35 1.21 -0.14 7.82 0.00 -0.89 -2.65 121.76 124.77 1ixd s ALA 79 Ca 0.21 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.31 1ixd s ALA 79 Cb 0.37 -1.25 0.02 0.00 0.00 0.00 0.00 23.12 22.26 1ixd s ALA 79 CO -0.06 -1.20 -0.15 -1.17 0.00 0.00 0.00 175.76 173.17 1ixd s LEU 80 N 1.76 1.76 -0.06 0.00 2.96 0.21 -3.71 118.68 121.60 1ixd s LEU 80 Ca -0.01 -0.49 -0.13 0.00 -0.22 0.00 0.00 54.13 53.27 1ixd s LEU 80 Cb -0.17 -1.20 -0.05 0.00 0.50 0.00 0.00 46.19 45.26 1ixd s LEU 80 CO -0.08 -0.02 0.34 -0.36 -1.32 0.00 0.00 176.35 174.90 1ixd s PHE 81 N 1.30 3.64 0.16 5.38 0.40 -1.26 -0.18 117.98 127.43 1ixd s PHE 81 Ca 0.01 0.83 -0.08 0.00 -0.60 0.00 0.00 56.93 57.09 1ixd s PHE 81 Cb -0.14 -2.25 -0.01 0.00 0.51 0.00 0.00 43.02 41.13 1ixd s PHE 81 CO -0.08 0.56 0.26 0.14 0.70 0.00 0.00 175.22 176.80 1ixd s VAL 82 N -0.68 0.07 -0.03 -0.44 -7.23 -1.18 -4.96 120.40 105.95 1ixd s VAL 82 Ca 0.21 -1.46 -0.30 0.00 -1.81 0.00 0.00 61.98 58.62 1ixd s VAL 82 Cb -0.15 -1.88 -0.05 0.00 0.56 0.00 0.00 36.38 34.86 1ixd s VAL 82 CO 0.10 -0.31 1.41 -0.54 -0.31 0.00 0.00 175.10 175.44 1ixd s LYS 83 N -3.98 4.26 0.31 4.82 1.02 -1.26 -0.07 119.74 124.84 1ixd s LYS 83 Ca 0.18 1.94 0.01 0.00 0.02 0.00 0.00 55.97 58.12 1ixd s LYS 83 Cb 0.04 -3.66 0.54 0.00 -0.52 0.00 0.00 37.83 34.23 1ixd s LYS 83 CO 0.00 -0.62 1.94 1.25 -0.92 0.00 0.00 175.35 177.00 1ixd h LEU 84 N 8.79 0.88 -2.00 3.17 5.85 0.25 -0.33 115.31 131.91 1ixd h LEU 84 Ca -0.36 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 1ixd h LEU 84 Cb 1.17 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.00 1ixd h LEU 84 CO 0.92 0.59 -0.10 0.07 -0.34 0.00 0.00 178.44 179.58 1ixd h LYS 85 N 1.01 0.00 -0.84 1.25 -0.00 -1.91 -1.99 116.57 114.10 1ixd h LYS 85 Ca 0.34 0.00 -0.46 0.00 -0.00 0.00 0.00 60.65 60.53 1ixd h LYS 85 Cb 0.08 0.00 -0.26 0.00 -0.00 0.00 0.00 32.23 32.05 1ixd h LYS 85 CO -0.11 0.10 0.46 0.43 -0.00 0.00 0.00 179.45 180.34 1ixd n SER 86 N -3.69 3.94 -4.76 7.07 7.64 -0.15 -4.97 113.62 118.71 1ixd n SER 86 Ca -0.02 -3.68 -0.26 0.00 1.01 0.00 0.00 58.87 55.92 1ixd n SER 86 Cb 0.21 -0.79 -0.06 0.00 -1.01 0.00 0.00 64.21 62.56 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 -3.07 2.38 0.23 0.00 3.00 -0.50 -4.97 118.95 116.02 1ixd s ARG 88 Ca 0.30 -0.67 -0.32 0.00 -1.00 0.00 0.00 55.73 54.05 1ixd s ARG 88 Cb -0.10 -1.87 -0.14 0.00 0.00 0.00 0.00 34.95 32.84 1ixd s ARG 88 CO 0.22 0.13 1.39 -2.30 0.00 0.00 0.00 175.30 174.74 1ixd n PRO 89 N 3.60 1.94 -3.60 5.12 -0.02 -1.26 0.42 135.00 141.20 1ixd n PRO 89 Ca -0.21 0.69 -0.39 0.00 -2.02 0.00 0.00 63.50 61.57 1ixd n PRO 89 Cb 0.52 -2.34 -0.11 0.00 -0.02 0.00 0.00 33.50 31.55 1ixd n PRO 89 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1ixd s ASP 90 N 0.30 5.82 -0.41 2.55 2.15 -1.10 -4.66 116.67 121.33 1ixd s ASP 90 Ca 0.70 -0.39 0.06 0.00 0.43 0.00 0.00 52.55 53.35 1ixd s ASP 90 Cb -0.68 -2.08 0.66 0.00 -0.30 0.00 0.00 42.92 40.53 1ixd s ASP 90 CO 0.49 -0.18 1.84 -0.24 -0.17 0.00 0.00 175.17 176.91 1ixd n SER 91 N 5.04 3.75 0.22 -0.34 2.88 -1.26 -4.53 113.62 119.38 1ixd n SER 91 Ca -0.13 -3.57 0.05 0.00 -1.33 0.00 0.00 58.87 53.89 1ixd n SER 91 Cb 0.50 -0.80 0.49 0.00 -0.75 0.00 0.00 64.21 63.65 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 1.27 0.00 -0.54 -1.46 2.47 -1.97 -2.45 114.38 111.70 1ixd h ARG 92 Ca 0.52 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.99 1ixd h ARG 92 Cb 2.62 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 30.79 1ixd h ARG 92 CO 0.95 0.23 0.14 1.19 0.56 0.00 0.00 179.97 183.04 1ixd n PHE 93 N -4.16 1.69 -3.56 3.04 3.01 -1.26 -4.97 117.46 111.25 1ixd n PHE 93 Ca -0.02 -1.55 -0.37 0.00 1.01 0.00 0.00 57.45 56.52 1ixd n PHE 93 Cb 0.29 -0.60 -0.08 0.00 -0.01 0.00 0.00 39.48 39.07 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 -3.19 3.60 -0.12 4.37 0.00 -0.92 -5.06 121.76 120.43 1ixd s ALA 94 Ca 0.48 -0.71 -0.28 0.00 0.00 0.00 0.00 51.96 51.45 1ixd s ALA 94 Cb 0.42 -2.43 -0.01 0.00 0.00 0.00 0.00 23.12 21.10 1ixd s ALA 94 CO 0.05 -0.18 0.96 -1.12 0.00 0.00 0.00 175.76 175.46 1ixd s SER 95 N 0.95 7.17 -0.36 0.00 0.01 -1.26 -4.39 113.70 115.82 1ixd s SER 95 Ca 0.12 1.44 -0.07 0.00 1.31 0.00 0.00 55.95 58.75 1ixd s SER 95 Cb -0.14 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.57 1ixd s SER 95 CO 0.05 -0.43 0.26 0.18 0.41 0.00 0.00 173.24 173.72 1ixd n LEU 96 N 5.02 -8.02 -4.78 2.44 4.32 -1.26 -4.96 117.00 109.75 1ixd n LEU 96 Ca 0.07 1.05 -0.36 0.00 -0.02 0.00 0.00 56.01 56.75 1ixd n LEU 96 Cb 0.49 -3.38 -0.04 0.00 -1.62 0.00 0.00 43.42 38.86 1ixd n LEU 96 CO 0.51 -2.86 0.72 -1.10 -1.22 0.00 0.00 177.39 173.45 1ixd s GLN 97 N -2.07 4.20 0.17 3.23 -0.21 -1.26 -4.97 119.66 118.76 1ixd s GLN 97 Ca 0.11 1.48 -0.33 0.00 0.02 0.00 0.00 55.36 56.63 1ixd s GLN 97 Cb -0.03 -2.54 -0.14 0.00 1.00 0.00 0.00 33.01 31.29 1ixd s GLN 97 CO 0.78 -0.10 1.44 -2.30 -2.12 0.00 0.00 175.29 172.98 1ixd n PRO 98 N -0.05 1.82 -1.49 2.91 -0.02 -1.26 -4.84 135.00 132.07 1ixd n PRO 98 Ca 0.05 0.65 -0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1ixd n PRO 98 Cb 0.50 -2.34 0.02 0.00 -0.02 0.00 0.00 33.50 31.66 1ixd n PRO 98 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1ixd n SER 99 N 2.72 -0.23 0.00 2.55 3.41 -1.26 -5.15 113.62 115.67 1ixd n SER 99 Ca 0.15 -1.04 0.00 0.00 -0.26 0.00 0.00 58.87 57.72 1ixd n SER 99 Cb 0.27 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1ixd n SER 99 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ixd n GLY 100 N -0.21 0.16 3.56 5.00 0.00 -1.26 -4.90 105.19 107.54 1ixd n GLY 100 Ca -0.03 -1.95 -0.26 0.00 0.00 0.00 0.00 46.02 43.78 1ixd n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ixd s PRO 101 N 0.00 2.47 -0.11 1.61 0.04 -1.26 -4.78 135.00 132.97 1ixd s PRO 101 Ca 0.00 -0.28 -0.08 0.00 0.04 0.00 0.00 61.00 60.69 1ixd s PRO 101 Cb 0.00 -5.05 -0.07 0.00 0.04 0.00 0.00 34.50 29.42 1ixd s PRO 101 CO 0.00 -3.50 0.20 0.77 0.04 0.00 0.00 177.00 174.50 1ixd h SER 102 N 11.31 0.00 -1.34 6.66 0.02 -1.95 -3.47 113.55 124.78 1ixd h SER 102 Ca 0.10 -0.26 -0.44 0.00 -0.84 0.00 0.00 61.79 60.34 1ixd h SER 102 Cb 1.00 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.55 1ixd h SER 102 CO 1.19 0.64 -0.25 -0.94 -1.14 0.00 0.00 176.83 176.33 1ixd s SER 103 N -5.74 5.46 0.00 3.07 1.04 -1.26 -5.19 113.70 111.09 1ixd s SER 103 Ca -0.05 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1ixd s SER 103 Cb -0.01 -0.48 0.00 0.00 0.10 0.00 0.00 66.02 65.63 1ixd s SER 103 CO 0.19 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.18