#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ixd s SER 2 N 0.00 5.87 -0.73 1.61 0.01 -1.26 -4.95 113.70 114.25 1ixd s SER 2 Ca 0.00 2.54 -0.23 0.00 1.31 0.00 0.00 55.95 59.58 1ixd s SER 2 Cb 0.00 -2.62 0.07 0.00 0.21 0.00 0.00 66.02 63.68 1ixd s SER 2 CO 0.00 -1.14 1.05 -0.94 0.41 0.00 0.00 173.24 172.62 1ixd s SER 3 N -1.09 6.26 0.00 2.44 1.04 -1.26 -4.92 113.70 116.17 1ixd s SER 3 Ca 0.65 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.97 1ixd s SER 3 Cb -0.35 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.33 1ixd s SER 3 CO 0.42 -1.44 0.00 0.61 0.98 0.00 0.00 173.24 173.82 1ixd n GLY 4 N 5.45 3.47 0.03 7.32 0.00 -1.26 -5.08 105.19 115.10 1ixd n GLY 4 Ca 0.03 -0.82 -0.04 0.00 0.00 0.00 0.00 46.02 45.20 1ixd n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ixd n SER 5 N 0.00 3.61 -4.68 1.61 2.88 -1.26 -5.00 113.62 110.78 1ixd n SER 5 Ca 0.00 -0.03 -0.38 0.00 -1.33 0.00 0.00 58.87 57.13 1ixd n SER 5 Cb 0.00 -0.06 -0.07 0.00 -0.75 0.00 0.00 64.21 63.32 1ixd n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ixd s SER 6 N -4.47 6.48 0.00 -3.46 0.15 -1.26 -5.06 113.70 106.08 1ixd s SER 6 Ca -0.07 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.15 1ixd s SER 6 Cb 0.02 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 1ixd s SER 6 CO 0.12 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.11 1ixd n GLY 7 N 3.77 2.69 3.00 9.45 0.00 -1.26 -4.87 105.19 117.97 1ixd n GLY 7 Ca -0.08 -1.75 -0.18 0.00 0.00 0.00 0.00 46.02 44.01 1ixd n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ixd n LEU 8 N 0.00 -2.96 -4.53 0.99 4.77 -1.26 -5.00 117.00 109.01 1ixd n LEU 8 Ca 0.00 -0.38 -0.34 0.00 -0.03 0.00 0.00 56.01 55.26 1ixd n LEU 8 Cb 0.00 -2.37 -0.11 0.00 -2.33 0.00 0.00 43.42 38.60 1ixd n LEU 8 CO 0.00 0.45 -0.31 0.00 -1.33 0.00 0.00 177.39 176.20 1ixd s ALA 9 N -3.21 3.15 -0.43 -1.18 0.00 -1.26 -4.88 121.76 113.95 1ixd s ALA 9 Ca 0.41 -0.84 0.08 0.00 0.00 0.00 0.00 51.96 51.60 1ixd s ALA 9 Cb -0.18 -1.75 0.25 0.00 0.00 0.00 0.00 23.12 21.44 1ixd s ALA 9 CO 0.51 0.10 0.56 -1.33 0.00 0.00 0.00 175.76 175.59 1ixd n MET 10 N 3.74 1.00 -0.19 0.00 2.81 -1.25 -4.98 117.12 118.25 1ixd n MET 10 Ca -0.17 -3.45 -0.02 0.00 -1.81 0.00 0.00 57.70 52.25 1ixd n MET 10 Cb 0.52 -1.38 0.09 0.00 -0.71 0.00 0.00 33.22 31.74 1ixd n MET 10 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1ixd h PRO 11 N 4.02 0.45 0.00 0.03 0.11 -1.87 -0.78 132.00 133.96 1ixd h PRO 11 Ca 0.09 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1ixd h PRO 11 Cb 0.85 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1ixd h PRO 11 CO 0.52 0.30 0.02 -1.35 -0.21 0.00 0.00 178.00 177.28 1ixd h PRO 12 N 0.47 0.00 0.00 1.05 0.11 -1.93 -3.32 132.00 128.37 1ixd h PRO 12 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 1ixd h PRO 12 Cb 0.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.39 1ixd h PRO 12 CO -0.24 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.96 1ixd n GLY 13 N -1.11 0.85 0.38 -0.55 0.00 -0.30 -4.94 105.19 99.51 1ixd n GLY 13 Ca -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 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 1.50 0.00 1.61 3.02 -1.23 -5.05 115.26 115.11 1ixd n ASN 14 Ca 0.00 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 1ixd n ASN 14 Cb 0.00 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.57 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 -3.99 0.00 0.15 6.41 7.64 -1.25 -4.82 113.62 117.76 1ixd n SER 15 Ca -0.30 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.58 1ixd n SER 15 Cb 0.65 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 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 -1.10 -3.75 0.00 1.43 8.25 -1.26 -4.33 115.22 114.46 1ixd n HIS 16 Ca 0.00 1.00 0.00 0.00 -0.26 0.00 0.00 57.72 58.46 1ixd n HIS 16 Cb 0.00 2.65 0.00 0.00 1.12 0.00 0.00 29.99 33.76 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 -1.36 -1.87 3.30 -1.41 0.00 -1.26 -3.90 105.19 98.69 1ixd n GLY 17 Ca 0.00 0.93 -0.38 0.00 0.00 0.00 0.00 46.02 46.57 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 4.34 0.27 0.99 1.43 -1.26 -4.91 118.68 119.54 1ixd s LEU 18 Ca 0.00 -1.05 0.02 0.00 -1.03 0.00 0.00 54.13 52.06 1ixd s LEU 18 Cb 0.00 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 1ixd s LEU 18 CO 0.00 -0.32 0.25 -1.83 0.23 0.00 0.00 176.35 174.68 1ixd s GLU 19 N 1.45 1.52 0.24 1.70 1.03 -1.26 -5.06 118.70 118.32 1ixd s GLU 19 Ca -0.00 -1.78 -0.31 0.00 0.03 0.00 0.00 54.97 52.91 1ixd s GLU 19 Cb -0.19 0.32 -0.11 0.00 -0.80 0.00 0.00 34.13 33.35 1ixd s GLU 19 CO 0.04 -0.55 1.57 0.08 -1.33 0.00 0.00 175.26 175.06 1ixd s VAL 20 N -3.75 2.33 0.00 1.83 1.01 -1.26 -2.28 120.40 118.28 1ixd s VAL 20 Ca 0.38 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.62 1ixd s VAL 20 Cb 0.04 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1ixd s VAL 20 CO 0.19 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1ixd n GLY 21 N 2.76 3.01 3.85 4.51 0.00 -1.06 -5.00 105.19 113.26 1ixd n GLY 21 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 0.88 6.75 0.26 1.61 0.01 -0.97 -4.79 113.70 117.46 1ixd s SER 22 Ca 0.00 1.23 -0.24 0.00 1.31 0.00 0.00 55.95 58.25 1ixd s SER 22 Cb 0.00 -2.35 -0.09 0.00 0.21 0.00 0.00 66.02 63.79 1ixd s SER 22 CO 0.00 -0.19 0.84 -0.76 0.41 0.00 0.00 173.24 173.54 1ixd s LEU 23 N -2.96 4.38 0.21 2.44 1.43 -1.26 -1.44 118.68 121.48 1ixd s LEU 23 Ca 0.53 1.65 -0.05 0.00 -1.03 0.00 0.00 54.13 55.24 1ixd s LEU 23 Cb -0.10 -3.75 -0.03 0.00 0.03 0.00 0.00 46.19 42.34 1ixd s LEU 23 CO 0.18 0.01 0.23 0.00 0.23 0.00 0.00 176.35 177.00 1ixd s ALA 24 N -1.51 0.71 0.03 4.21 0.00 -0.95 -1.20 121.76 123.04 1ixd s ALA 24 Ca 0.45 -1.42 0.04 0.00 0.00 0.00 0.00 51.96 51.03 1ixd s ALA 24 Cb -0.19 1.24 -0.02 0.00 0.00 0.00 0.00 23.12 24.16 1ixd s ALA 24 CO 0.23 -0.66 -0.11 -2.00 0.00 0.00 0.00 175.76 173.23 1ixd s GLU 25 N -4.10 0.74 -0.08 0.00 2.12 0.15 -3.59 118.70 113.93 1ixd s GLU 25 Ca 0.32 -0.64 -0.00 0.00 0.36 0.00 0.00 54.97 55.02 1ixd s GLU 25 Cb 0.05 -0.68 -0.03 0.00 0.26 0.00 0.00 34.13 33.72 1ixd s GLU 25 CO 0.10 0.17 -0.05 0.08 -0.54 0.00 0.00 175.26 175.01 1ixd s VAL 26 N -0.82 3.82 -0.83 3.70 1.01 -1.26 -0.75 120.40 125.26 1ixd s VAL 26 Ca -0.01 -0.43 -0.21 0.00 0.00 0.00 0.00 61.98 61.33 1ixd s VAL 26 Cb -0.07 -2.58 0.09 0.00 0.00 0.00 0.00 36.38 33.82 1ixd s VAL 26 CO 0.01 0.59 1.11 -0.75 0.00 0.00 0.00 175.10 176.06 1ixd s LYS 27 N -0.72 3.40 0.27 2.72 2.47 -1.26 -4.81 119.74 121.82 1ixd s LYS 27 Ca 0.11 -1.28 0.05 0.00 -1.56 0.00 0.00 55.97 53.28 1ixd s LYS 27 Cb -0.11 -4.69 -0.02 0.00 -1.46 0.00 0.00 37.83 31.55 1ixd s LYS 27 CO 0.02 -1.86 0.27 -1.91 0.16 0.00 0.00 175.35 172.03 1ixd n GLU 28 N 7.38 0.39 0.49 4.03 2.13 -1.26 -5.08 120.64 128.71 1ixd n GLU 28 Ca 0.14 -2.62 -0.19 0.00 0.66 0.00 0.00 57.16 55.14 1ixd n GLU 28 Cb 0.48 2.23 -0.09 0.00 0.27 0.00 0.00 31.44 34.33 1ixd n GLU 28 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1ixd h ASN 29 N 1.66 -1.05 -3.42 4.31 2.35 -2.05 -3.40 115.58 113.98 1ixd h ASN 29 Ca -0.20 0.03 -0.56 0.00 -0.55 0.00 0.00 56.30 55.02 1ixd h ASN 29 Cb 0.98 0.27 -0.06 0.00 0.05 0.00 0.00 38.32 39.56 1ixd h ASN 29 CO 0.28 -0.72 1.02 -2.16 -1.65 0.00 0.00 177.43 174.20 1ixd s PRO 30 N -5.75 3.61 -0.49 0.81 0.04 -1.26 -4.97 135.00 126.98 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 30.56 1ixd s PRO 30 CO 0.57 -1.53 1.78 -1.25 0.04 0.00 0.00 177.00 176.61 1ixd s PRO 31 N 4.80 2.99 0.31 0.56 0.04 -1.26 -4.97 135.00 137.47 1ixd s PRO 31 Ca 0.55 0.91 0.04 0.00 0.04 0.00 0.00 61.00 62.54 1ixd s PRO 31 Cb -0.11 -4.28 -0.06 0.00 0.04 0.00 0.00 34.50 30.10 1ixd s PRO 31 CO 0.32 -2.29 0.05 -0.59 0.04 0.00 0.00 177.00 174.53 1ixd s PHE 32 N 7.84 1.90 -0.02 0.56 -0.12 -1.26 -5.16 117.98 121.72 1ixd s PHE 32 Ca 0.70 -0.96 0.03 0.00 -0.05 0.00 0.00 56.93 56.65 1ixd s PHE 32 Cb -0.16 -1.21 -0.00 0.00 -0.63 0.00 0.00 43.02 41.01 1ixd s PHE 32 CO 0.26 -0.01 -0.10 0.71 -0.05 0.00 0.00 175.22 176.04 1ixd s TYR 33 N -3.33 0.92 0.15 3.49 2.02 -1.26 -4.59 117.35 114.75 1ixd s TYR 33 Ca 0.36 -0.20 -0.21 0.00 -0.37 0.00 0.00 57.07 56.65 1ixd s TYR 33 Cb 0.08 -0.62 0.06 0.00 -0.40 0.00 0.00 41.96 41.08 1ixd s TYR 33 CO 0.15 -0.05 0.54 0.20 -1.57 0.00 0.00 175.55 174.81 1ixd s GLY 34 N -0.06 -0.49 0.04 0.71 0.00 -1.24 -2.97 107.32 103.32 1ixd s GLY 34 Ca 0.01 0.29 0.00 0.00 0.00 0.00 0.00 44.72 45.02 1ixd s GLY 34 CO -0.00 -0.00 0.15 0.54 0.00 0.00 0.00 173.10 173.78 1ixd s VAL 35 N -3.77 5.07 0.48 1.40 0.11 -1.19 -2.24 120.40 120.25 1ixd s VAL 35 Ca 0.02 -0.44 -0.23 0.00 -2.93 0.00 0.00 61.98 58.41 1ixd s VAL 35 Cb -0.00 -3.42 -0.07 0.00 -1.53 0.00 0.00 36.38 31.37 1ixd s VAL 35 CO -0.12 0.22 1.23 -0.63 -3.33 0.00 0.00 175.10 172.46 1ixd s ILE 36 N -1.38 2.80 0.11 7.04 1.01 -0.52 -1.57 121.20 128.68 1ixd s ILE 36 Ca 0.30 0.61 0.00 0.00 0.00 0.00 0.00 60.65 61.55 1ixd s ILE 36 Cb -0.13 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 39.03 1ixd s ILE 36 CO 0.22 0.00 0.00 0.54 0.00 0.00 0.00 174.94 175.70 1ixd n ARG 37 N -0.58 0.00 -5.06 2.79 5.12 0.30 -2.56 116.66 116.67 1ixd n ARG 37 Ca 0.08 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.71 1ixd n ARG 37 Cb 0.47 -0.16 -0.16 0.00 -1.16 0.00 0.00 32.46 31.44 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 -1.59 2.11 -0.27 -1.55 -0.00 -1.25 -4.75 118.94 111.65 1ixd s TRP 38 Ca 0.00 -0.64 0.01 0.00 -0.00 0.00 0.00 56.10 55.46 1ixd s TRP 38 Cb 0.00 -1.40 0.08 0.00 -0.00 0.00 0.00 33.47 32.15 1ixd s TRP 38 CO 0.00 -0.21 0.01 0.42 -0.00 0.00 0.00 176.95 177.16 1ixd s ILE 39 N -0.01 1.44 0.05 5.86 1.01 -1.26 0.70 121.20 128.99 1ixd s ILE 39 Ca -0.05 -1.41 -0.04 0.00 0.00 0.00 0.00 60.65 59.15 1ixd s ILE 39 Cb -0.13 -1.87 0.01 0.00 0.01 0.00 0.00 42.46 40.48 1ixd s ILE 39 CO 0.03 -0.33 0.20 0.61 0.00 0.00 0.00 174.94 175.45 1ixd n GLY 40 N 4.67 1.38 2.96 6.18 0.00 -1.18 -4.92 105.19 114.27 1ixd n GLY 40 Ca -0.07 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.01 1.81 0.92 1.61 -0.21 -1.26 -1.41 119.66 119.12 1ixd s GLN 41 Ca 0.04 -0.72 -0.11 0.00 0.02 0.00 0.00 55.36 54.59 1ixd s GLN 41 Cb -0.01 -2.26 0.11 0.00 1.00 0.00 0.00 33.01 31.85 1ixd s GLN 41 CO 0.02 -0.43 0.90 -2.30 -2.12 0.00 0.00 175.29 171.35 1ixd n PRO 42 N 4.76 -0.38 -2.17 2.91 -0.02 -1.26 -4.84 135.00 134.00 1ixd n PRO 42 Ca -0.14 -0.05 -0.30 0.00 -2.02 0.00 0.00 63.50 60.99 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 2.81 0.00 0.52 0.04 -1.26 -3.35 135.00 129.50 1ixd s PRO 43 Ca 0.64 -0.70 0.00 0.00 0.04 0.00 0.00 61.00 60.98 1ixd s PRO 43 Cb -0.23 -5.18 0.00 0.00 0.04 0.00 0.00 34.50 29.14 1ixd s PRO 43 CO 0.61 -3.23 0.00 0.41 0.04 0.00 0.00 177.00 174.83 1ixd n GLY 44 N 6.58 1.46 3.05 0.56 0.00 -1.26 -5.10 105.19 110.48 1ixd n GLY 44 Ca 0.40 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 46.04 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 2.90 -0.45 0.99 2.34 -1.21 -5.08 118.68 118.17 1ixd s LEU 45 Ca 0.00 -1.15 -0.28 0.00 0.06 0.00 0.00 54.13 52.76 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 -0.15 1.54 0.21 -1.06 0.00 0.00 176.35 176.89 1ixd s ASN 46 N 1.22 6.08 -0.30 1.48 3.84 -1.26 -4.08 114.94 121.92 1ixd s ASN 46 Ca -0.05 0.75 -0.14 0.00 0.21 0.00 0.00 52.86 53.64 1ixd s ASN 46 Cb -0.18 -2.54 0.15 0.00 -0.55 0.00 0.00 41.25 38.13 1ixd s ASN 46 CO -0.07 -1.66 0.88 -1.83 -2.79 0.00 0.00 177.10 171.63 1ixd s GLU 47 N 5.45 0.40 -0.52 0.43 -1.05 -1.26 -5.10 118.70 117.05 1ixd s GLU 47 Ca 0.64 0.96 -0.26 0.00 -0.15 0.00 0.00 54.97 56.15 1ixd s GLU 47 Cb -0.15 0.54 -0.05 0.00 -0.44 0.00 0.00 34.13 34.04 1ixd s GLU 47 CO 0.30 -0.13 2.14 0.08 0.95 0.00 0.00 175.26 178.60 1ixd s VAL 48 N 2.48 3.18 -0.32 1.83 1.01 -1.26 -4.19 120.40 123.14 1ixd s VAL 48 Ca -0.04 0.12 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 1ixd s VAL 48 Cb -0.08 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.88 1ixd s VAL 48 CO -0.18 -0.41 0.13 -0.76 0.00 0.00 0.00 175.10 173.88 1ixd s LEU 49 N 10.40 4.10 -0.35 3.92 1.43 -0.50 0.93 118.68 138.62 1ixd s LEU 49 Ca 0.84 -0.72 -0.19 0.00 -1.03 0.00 0.00 54.13 53.03 1ixd s LEU 49 Cb -0.16 -1.94 -0.00 0.00 0.03 0.00 0.00 46.19 44.11 1ixd s LEU 49 CO 0.25 -0.23 0.58 0.00 0.23 0.00 0.00 176.35 177.17 1ixd s ALA 50 N 1.54 3.47 -0.24 4.21 0.00 0.85 -3.08 121.76 128.51 1ixd s ALA 50 Ca 0.03 -0.91 -0.29 0.00 0.00 0.00 0.00 51.96 50.79 1ixd s ALA 50 Cb -0.18 -3.10 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 1ixd s ALA 50 CO 0.04 -1.27 1.67 0.20 0.00 0.00 0.00 175.76 176.41 1ixd s GLY 51 N 1.77 1.12 -0.17 0.00 0.00 0.22 -3.04 107.32 107.20 1ixd s GLY 51 Ca 0.22 0.44 -0.07 0.00 0.00 0.00 0.00 44.72 45.31 1ixd s GLY 51 CO 0.14 3.08 0.05 1.08 0.00 0.00 0.00 173.10 177.45 1ixd s LEU 52 N 5.61 3.75 -0.43 0.66 1.43 -0.45 0.11 118.68 129.35 1ixd s LEU 52 Ca 0.74 0.07 -0.16 0.00 -1.03 0.00 0.00 54.13 53.75 1ixd s LEU 52 Cb -0.25 -1.94 0.04 0.00 0.03 0.00 0.00 46.19 44.07 1ixd s LEU 52 CO 0.31 0.19 0.38 -0.70 0.23 0.00 0.00 176.35 176.76 1ixd s GLU 53 N 0.29 3.02 0.20 1.70 2.12 -0.61 0.30 118.70 125.71 1ixd s GLU 53 Ca 0.03 -1.01 -0.30 0.00 0.36 0.00 0.00 54.97 54.04 1ixd s GLU 53 Cb -0.12 -4.02 -0.09 0.00 0.26 0.00 0.00 34.13 30.15 1ixd s GLU 53 CO 0.01 -0.88 1.38 -0.51 -0.54 0.00 0.00 175.26 174.72 1ixd s LEU 54 N 1.87 4.40 0.26 2.70 1.43 -0.93 -3.18 118.68 125.23 1ixd s LEU 54 Ca 0.07 2.50 0.02 0.00 -1.03 0.00 0.00 54.13 55.69 1ixd s LEU 54 Cb -0.20 -3.61 0.35 0.00 0.03 0.00 0.00 46.19 42.76 1ixd s LEU 54 CO 0.10 -0.62 1.66 -0.33 0.23 0.00 0.00 176.35 177.40 1ixd h GLU 55 N 5.51 0.43 -5.95 1.70 5.08 -1.86 -3.43 114.58 116.06 1ixd h GLU 55 Ca -0.45 -0.20 -0.59 0.00 -1.00 0.00 0.00 59.36 57.12 1ixd h GLU 55 Cb 1.21 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.40 1ixd h GLU 55 CO 0.79 0.74 -0.16 0.34 -1.00 0.00 0.00 179.01 179.72 1ixd s ASP 56 N -6.85 6.81 -0.66 1.42 2.15 -1.26 -5.02 116.67 113.25 1ixd s ASP 56 Ca -0.06 0.96 -0.27 0.00 0.43 0.00 0.00 52.55 53.60 1ixd s ASP 56 Cb 0.13 -2.28 0.01 0.00 -0.30 0.00 0.00 42.92 40.48 1ixd s ASP 56 CO 0.80 0.21 1.48 -1.61 -0.17 0.00 0.00 175.17 175.88 1ixd s GLU 57 N -0.50 3.04 -0.13 4.34 2.02 -1.26 -4.79 118.70 121.42 1ixd s GLU 57 Ca 0.25 0.16 -0.04 0.00 0.02 0.00 0.00 54.97 55.36 1ixd s GLU 57 Cb -0.17 -4.23 -0.03 0.00 0.10 0.00 0.00 34.13 29.80 1ixd s GLU 57 CO 0.13 -2.28 0.02 0.00 0.02 0.00 0.00 175.26 173.15 1ixd s ALA 59 N -0.33 3.61 0.00 0.00 0.00 -1.26 -3.39 121.76 120.38 1ixd s ALA 59 Ca 0.07 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.57 1ixd s ALA 59 Cb -0.12 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.32 1ixd s ALA 59 CO 0.02 -1.32 0.00 0.41 0.00 0.00 0.00 175.76 174.87 1ixd n GLY 60 N 3.85 1.21 3.90 0.00 0.00 -1.26 -5.13 105.19 107.76 1ixd n GLY 60 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.70 0.00 -1.13 0.00 -2.24 -1.15 -4.35 114.28 101.70 1ixd n THR 62 Ca 0.13 -1.75 -0.24 0.00 -2.27 0.00 0.00 64.05 59.92 1ixd n THR 62 Cb 0.60 -0.11 0.16 0.00 -2.10 0.00 0.00 70.33 68.88 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 -1.85 4.19 -0.19 3.42 5.68 -1.26 -1.96 116.55 124.57 1ixd n ASP 63 Ca -0.02 -3.54 0.00 0.00 -0.50 0.00 0.00 54.79 50.73 1ixd n ASP 63 Cb 0.50 -0.84 0.00 0.00 -1.14 0.00 0.00 41.12 39.64 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 -1.02 0.95 2.87 6.12 0.00 -1.26 -4.01 105.19 108.84 1ixd n GLY 64 Ca 0.57 -0.24 -0.26 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.32 0.89 -0.22 2.61 -4.23 -1.26 -3.25 115.64 107.86 1ixd s THR 65 Ca 0.00 -0.26 -0.04 0.00 -1.18 0.00 0.00 61.69 60.21 1ixd s THR 65 Cb 0.00 -0.97 -0.01 0.00 1.34 0.00 0.00 72.50 72.86 1ixd s THR 65 CO 0.00 0.30 -0.03 0.12 -0.54 0.00 0.00 174.62 174.46 1ixd s PHE 66 N 1.76 2.97 -1.74 3.99 5.36 -1.17 -4.54 117.98 124.61 1ixd s PHE 66 Ca 0.04 -0.86 -0.01 0.00 -0.96 0.00 0.00 56.93 55.14 1ixd s PHE 66 Cb -0.13 -2.11 0.00 0.00 -0.34 0.00 0.00 43.02 40.44 1ixd s PHE 66 CO -0.08 -0.51 0.12 0.54 -1.46 0.00 0.00 175.22 173.84 1ixd n ARG 67 N 4.74 -2.33 -1.89 10.12 5.12 -1.26 -1.39 116.66 129.77 1ixd n ARG 67 Ca -0.18 0.99 -0.07 0.00 -1.93 0.00 0.00 57.85 56.67 1ixd n ARG 67 Cb 0.51 -5.70 -0.01 0.00 -1.16 0.00 0.00 32.46 26.10 1ixd n ARG 67 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ixd n GLY 68 N -1.12 0.30 2.64 -0.13 0.00 -1.26 -5.01 105.19 100.61 1ixd n GLY 68 Ca -0.22 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.31 0.77 0.08 2.61 2.01 -0.49 -5.11 115.64 113.21 1ixd s THR 69 Ca 0.00 -1.77 -0.31 0.00 0.31 0.00 0.00 61.69 59.92 1ixd s THR 69 Cb 0.00 -1.57 -0.09 0.00 0.01 0.00 0.00 72.50 70.86 1ixd s THR 69 CO 0.00 -0.83 1.69 -0.60 -0.69 0.00 0.00 174.62 174.19 1ixd s ARG 70 N 1.13 4.18 -0.24 4.92 3.52 -1.26 -3.01 118.95 128.20 1ixd s ARG 70 Ca 0.14 2.39 0.08 0.00 -0.13 0.00 0.00 55.73 58.21 1ixd s ARG 70 Cb -0.21 -3.59 -0.20 0.00 -1.56 0.00 0.00 34.95 29.40 1ixd s ARG 70 CO -0.12 -0.76 -0.12 0.66 -0.81 0.00 0.00 175.30 174.15 1ixd n TYR 71 N 5.57 0.00 -4.28 5.12 4.01 -1.20 -5.00 117.16 121.38 1ixd n TYR 71 Ca 0.16 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.72 1ixd n TYR 71 Cb 0.40 -0.99 -0.08 0.00 -0.31 0.00 0.00 39.34 38.35 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 -2.51 1.67 -0.28 -0.72 -0.71 -1.26 -4.98 117.98 109.20 1ixd s PHE 72 Ca -0.26 -1.60 -0.04 0.00 -1.04 0.00 0.00 56.93 53.99 1ixd s PHE 72 Cb 0.08 -0.72 0.02 0.00 -1.21 0.00 0.00 43.02 41.19 1ixd s PHE 72 CO 0.68 -0.80 0.01 0.99 -1.34 0.00 0.00 175.22 174.76 1ixd s THR 73 N -3.54 3.40 0.33 -4.49 2.01 -1.26 -4.81 115.64 107.29 1ixd s THR 73 Ca 0.40 -0.92 0.06 0.00 0.31 0.00 0.00 61.69 61.53 1ixd s THR 73 Cb 0.03 -2.77 -0.03 0.00 0.01 0.00 0.00 72.50 69.74 1ixd s THR 73 CO 0.25 0.10 0.25 0.00 -0.69 0.00 0.00 174.62 174.52 1ixd s ALA 75 N -3.45 0.77 0.12 0.00 0.00 -1.26 -4.82 121.76 113.11 1ixd s ALA 75 Ca 0.38 -0.67 -0.24 0.00 0.00 0.00 0.00 51.96 51.42 1ixd s ALA 75 Cb 0.03 -3.00 -0.07 0.00 0.00 0.00 0.00 23.12 20.08 1ixd s ALA 75 CO 0.25 -3.23 0.75 -0.51 0.00 0.00 0.00 175.76 173.02 1ixd s LEU 76 N -6.70 4.55 -1.29 0.00 1.43 -1.26 -3.89 118.68 111.51 1ixd s LEU 76 Ca 0.68 1.54 -0.09 0.00 -1.03 0.00 0.00 54.13 55.24 1ixd s LEU 76 Cb -0.14 -3.23 0.01 0.00 0.03 0.00 0.00 46.19 42.86 1ixd s LEU 76 CO 0.57 0.16 1.13 0.29 0.23 0.00 0.00 176.35 178.73 1ixd n LYS 77 N 1.94 -7.62 -2.41 1.70 4.76 -1.15 -4.89 118.16 110.49 1ixd n LYS 77 Ca -0.05 0.79 -0.01 0.00 -2.87 0.00 0.00 58.31 56.17 1ixd n LYS 77 Cb 0.49 -5.73 0.06 0.00 -1.84 0.00 0.00 35.03 28.02 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 -4.80 1.20 -3.48 1.97 5.02 -1.03 -2.60 118.16 114.44 1ixd n LYS 78 Ca 0.01 -2.24 -0.20 0.00 -2.02 0.00 0.00 58.31 53.85 1ixd n LYS 78 Cb 0.56 -0.46 -0.13 0.00 -0.02 0.00 0.00 35.03 34.98 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 -1.53 -0.12 -0.19 7.82 0.00 -0.83 -2.19 121.76 124.72 1ixd s ALA 79 Ca 0.19 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.95 1ixd s ALA 79 Cb 0.34 -1.46 0.02 0.00 0.00 0.00 0.00 23.12 22.02 1ixd s ALA 79 CO -0.08 -1.44 -0.18 -1.17 0.00 0.00 0.00 175.76 172.88 1ixd s LEU 80 N 2.28 2.28 0.12 0.00 2.96 0.15 -2.93 118.68 123.54 1ixd s LEU 80 Ca 0.08 -0.70 -0.23 0.00 -0.22 0.00 0.00 54.13 53.05 1ixd s LEU 80 Cb -0.15 -1.50 -0.07 0.00 0.50 0.00 0.00 46.19 44.97 1ixd s LEU 80 CO -0.23 -0.02 0.71 -0.36 -1.32 0.00 0.00 176.35 175.13 1ixd s PHE 81 N 1.28 3.85 0.17 5.38 0.40 -1.26 -1.34 117.98 126.46 1ixd s PHE 81 Ca 0.04 1.50 -0.09 0.00 -0.60 0.00 0.00 56.93 57.78 1ixd s PHE 81 Cb -0.14 -2.69 -0.01 0.00 0.51 0.00 0.00 43.02 40.69 1ixd s PHE 81 CO -0.12 0.50 0.29 0.14 0.70 0.00 0.00 175.22 176.74 1ixd s VAL 82 N -0.97 0.06 -0.08 -0.44 -7.23 -1.17 -4.96 120.40 105.61 1ixd s VAL 82 Ca 0.34 -1.39 -0.30 0.00 -1.81 0.00 0.00 61.98 58.83 1ixd s VAL 82 Cb -0.22 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 1ixd s VAL 82 CO 0.24 -0.27 1.54 -0.54 -0.31 0.00 0.00 175.10 175.75 1ixd s LYS 83 N -3.97 4.20 0.40 4.82 1.02 -1.26 -0.11 119.74 124.84 1ixd s LYS 83 Ca 0.18 2.04 0.08 0.00 0.02 0.00 0.00 55.97 58.29 1ixd s LYS 83 Cb 0.03 -3.91 0.85 0.00 -0.52 0.00 0.00 37.83 34.29 1ixd s LYS 83 CO 0.01 -0.80 2.01 1.25 -0.92 0.00 0.00 175.35 176.90 1ixd h LEU 84 N 10.01 0.52 -1.90 3.17 5.85 0.23 -0.30 115.31 132.88 1ixd h LEU 84 Ca -0.36 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 1ixd h LEU 84 Cb 1.16 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 1ixd h LEU 84 CO 0.96 0.35 -0.13 0.07 -0.34 0.00 0.00 178.44 179.35 1ixd h LYS 85 N 0.60 0.00 -0.87 1.25 2.10 -1.88 -2.01 116.57 115.76 1ixd h LYS 85 Ca 0.23 0.00 -0.47 0.00 -2.00 0.00 0.00 60.65 58.41 1ixd h LYS 85 Cb 0.17 0.00 -0.27 0.00 -0.90 0.00 0.00 32.23 31.23 1ixd h LYS 85 CO -0.06 0.13 0.51 0.43 -2.00 0.00 0.00 179.45 178.45 1ixd n SER 86 N -3.83 3.94 -4.76 7.07 7.64 -0.13 -4.97 113.62 118.59 1ixd n SER 86 Ca -0.02 -3.67 -0.23 0.00 1.01 0.00 0.00 58.87 55.96 1ixd n SER 86 Cb 0.23 -0.81 -0.05 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 -3.73 0.98 0.16 0.00 1.81 0.07 -4.95 118.95 113.30 1ixd s ARG 88 Ca 0.32 -0.30 -0.34 0.00 -1.72 0.00 0.00 55.73 53.69 1ixd s ARG 88 Cb -0.07 -0.92 -0.14 0.00 -0.45 0.00 0.00 34.95 33.37 1ixd s ARG 88 CO 0.23 0.10 1.52 -2.30 -0.68 0.00 0.00 175.30 174.17 1ixd n PRO 89 N 3.35 2.00 -3.52 3.54 -0.02 -1.26 0.30 135.00 139.39 1ixd n PRO 89 Ca -0.19 0.72 -0.42 0.00 -2.02 0.00 0.00 63.50 61.59 1ixd n PRO 89 Cb 0.54 -2.46 -0.10 0.00 -0.02 0.00 0.00 33.50 31.47 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 0.77 5.89 -0.43 2.55 2.15 -0.34 -4.72 116.67 122.53 1ixd s ASP 90 Ca 0.78 -1.22 0.03 0.00 0.43 0.00 0.00 52.55 52.57 1ixd s ASP 90 Cb -0.71 -2.08 0.61 0.00 -0.30 0.00 0.00 42.92 40.44 1ixd s ASP 90 CO 0.41 -0.52 1.87 -0.24 -0.17 0.00 0.00 175.17 176.52 1ixd n SER 91 N 5.06 3.96 0.17 -0.34 2.88 -1.26 -4.48 113.62 119.62 1ixd n SER 91 Ca -0.11 -3.52 0.02 0.00 -1.33 0.00 0.00 58.87 53.93 1ixd n SER 91 Cb 0.45 -0.83 0.37 0.00 -0.75 0.00 0.00 64.21 63.44 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 1.00 0.06 -0.03 -1.46 3.08 -1.95 -3.06 114.38 112.02 1ixd h ARG 92 Ca 0.60 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.58 1ixd h ARG 92 Cb 2.63 -0.00 -0.08 0.00 0.08 0.00 0.00 29.97 32.59 1ixd h ARG 92 CO 1.07 0.38 -0.61 1.19 -1.07 0.00 0.00 179.97 180.93 1ixd n PHE 93 N -4.14 0.09 -3.41 3.04 3.01 -1.26 -5.03 117.46 109.77 1ixd n PHE 93 Ca -0.02 -1.36 -0.38 0.00 1.01 0.00 0.00 57.45 56.70 1ixd n PHE 93 Cb 0.38 -0.24 -0.08 0.00 -0.01 0.00 0.00 39.48 39.53 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 -2.70 3.57 0.13 4.37 0.00 -1.16 -5.08 121.76 120.89 1ixd s ALA 94 Ca 0.38 -0.68 0.07 0.00 0.00 0.00 0.00 51.96 51.72 1ixd s ALA 94 Cb 0.37 -2.65 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 1ixd s ALA 94 CO -0.08 -0.46 -0.03 0.45 0.00 0.00 0.00 175.76 175.64 1ixd s SER 95 N 1.32 4.75 -0.27 0.00 0.15 -1.26 -5.05 113.70 113.33 1ixd s SER 95 Ca 0.16 -0.33 -0.04 0.00 0.70 0.00 0.00 55.95 56.44 1ixd s SER 95 Cb -0.15 -1.02 0.09 0.00 -1.71 0.00 0.00 66.02 63.23 1ixd s SER 95 CO 0.08 0.14 0.12 -0.76 1.20 0.00 0.00 173.24 174.02 1ixd s LEU 96 N -2.57 0.62 -0.33 3.45 1.02 -1.26 -4.98 118.68 114.63 1ixd s LEU 96 Ca 0.25 -1.19 -0.04 0.00 0.02 0.00 0.00 54.13 53.18 1ixd s LEU 96 Cb -0.10 -0.37 0.00 0.00 0.02 0.00 0.00 46.19 45.74 1ixd s LEU 96 CO 0.17 -0.42 0.14 0.00 0.02 0.00 0.00 176.35 176.26 1ixd n GLN 97 N 5.23 -3.18 -0.05 1.70 1.13 -1.26 -4.82 117.38 116.13 1ixd n GLN 97 Ca -0.06 2.60 0.24 0.00 -1.94 0.00 0.00 57.00 57.84 1ixd n GLN 97 Cb 0.43 -5.36 0.72 0.00 0.11 0.00 0.00 30.24 26.14 1ixd n GLN 97 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1ixd h PRO 98 N 2.74 0.00 -4.73 -1.09 0.11 -2.02 -3.41 132.00 123.60 1ixd h PRO 98 Ca 0.00 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.82 1ixd h PRO 98 Cb 0.23 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 31.14 1ixd h PRO 98 CO 0.12 0.00 -0.73 -1.12 -0.21 0.00 0.00 178.00 176.06 1ixd s SER 99 N -5.54 1.10 -0.02 -2.05 0.01 -1.26 -5.09 113.70 100.85 1ixd s SER 99 Ca -0.05 -0.68 -0.14 0.00 1.31 0.00 0.00 55.95 56.40 1ixd s SER 99 Cb 0.19 0.03 -0.08 0.00 0.21 0.00 0.00 66.02 66.37 1ixd s SER 99 CO 0.67 -0.25 0.67 1.23 0.41 0.00 0.00 173.24 175.97 1ixd h GLY 100 N 4.05 -0.51 -7.00 3.44 0.00 -1.97 -3.42 103.07 97.66 1ixd h GLY 100 Ca -0.37 0.19 -0.56 0.00 0.00 0.00 0.00 47.33 46.60 1ixd h GLY 100 CO 0.47 -0.19 1.25 2.56 0.00 0.00 0.00 176.54 180.63 1ixd s PRO 101 N -3.23 3.23 -0.02 4.80 0.04 -1.26 -4.85 135.00 133.72 1ixd s PRO 101 Ca -0.07 1.13 0.01 0.00 0.04 0.00 0.00 61.00 62.11 1ixd s PRO 101 Cb 0.01 -4.20 -0.26 0.00 0.04 0.00 0.00 34.50 30.09 1ixd s PRO 101 CO 0.22 -1.99 0.76 0.66 0.04 0.00 0.00 177.00 176.69 1ixd h SER 102 N 12.83 0.27 -1.99 6.66 4.64 -2.04 -3.44 113.55 130.48 1ixd h SER 102 Ca -0.31 -0.44 -0.54 0.00 -0.47 0.00 0.00 61.79 60.04 1ixd h SER 102 Cb 1.15 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 1ixd h SER 102 CO 1.09 1.38 1.49 -0.55 -0.87 0.00 0.00 176.83 179.36 1ixd s SER 103 N -6.76 5.18 0.00 4.97 0.15 -1.26 -5.20 113.70 110.78 1ixd s SER 103 Ca -0.09 1.36 0.16 0.00 0.70 0.00 0.00 55.95 58.07 1ixd s SER 103 Cb 0.07 -2.51 0.93 0.00 -1.71 0.00 0.00 66.02 62.80 1ixd s SER 103 CO 0.83 -2.26 1.34 0.61 1.20 0.00 0.00 173.24 174.96