#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 7.43 0.59 1.61 0.01 -1.26 -4.84 113.70 117.24 1ixd s SER 2 Ca 0.00 1.96 0.00 0.00 1.31 0.00 0.00 55.95 59.22 1ixd s SER 2 Cb 0.00 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1ixd s SER 2 CO 0.00 -0.09 0.00 -0.24 0.41 0.00 0.00 173.24 173.32 1ixd n SER 3 N 2.31 -8.10 -0.12 2.44 2.88 -1.26 -4.86 113.62 106.93 1ixd n SER 3 Ca 0.01 1.35 -0.24 0.00 -1.33 0.00 0.00 58.87 58.67 1ixd n SER 3 Cb 0.47 -4.91 -0.11 0.00 -0.75 0.00 0.00 64.21 58.91 1ixd n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ixd n GLY 4 N -4.35 -0.50 2.72 0.46 0.00 -1.26 -5.08 105.19 97.19 1ixd n GLY 4 Ca -0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.92 -7.83 0.09 1.61 2.88 -1.26 -5.01 113.62 100.17 1ixd n SER 5 Ca -0.46 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.18 1ixd n SER 5 Cb 0.90 -5.24 0.00 0.00 -0.75 0.00 0.00 64.21 59.12 1ixd n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ixd n SER 6 N 0.35 -0.72 -4.63 -3.46 3.41 -1.26 -5.08 113.62 102.24 1ixd n SER 6 Ca 0.04 0.31 -0.39 0.00 -0.26 0.00 0.00 58.87 58.57 1ixd n SER 6 Cb 0.15 0.83 -0.08 0.00 -0.26 0.00 0.00 64.21 64.84 1ixd n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ixd s GLY 7 N -4.10 1.93 -0.41 5.00 0.00 -1.26 -4.95 107.32 103.53 1ixd s GLY 7 Ca 0.00 -0.66 0.05 0.00 0.00 0.00 0.00 44.72 44.11 1ixd s GLY 7 CO 0.00 1.02 1.54 1.04 0.00 0.00 0.00 173.10 176.70 1ixd n LEU 8 N 5.15 5.58 -2.78 0.66 4.77 -1.26 -4.62 117.00 124.49 1ixd n LEU 8 Ca -0.07 -4.32 -0.05 0.00 -0.03 0.00 0.00 56.01 51.55 1ixd n LEU 8 Cb 0.50 -0.62 0.01 0.00 -2.33 0.00 0.00 43.42 40.98 1ixd n LEU 8 CO 0.39 1.66 0.11 0.00 -1.33 0.00 0.00 177.39 178.22 1ixd s ALA 9 N -3.56 -2.02 -0.58 -1.18 0.00 -1.26 -5.02 121.76 108.13 1ixd s ALA 9 Ca 0.53 -0.46 -0.09 0.00 0.00 0.00 0.00 51.96 51.95 1ixd s ALA 9 Cb 0.44 -2.69 0.01 0.00 0.00 0.00 0.00 23.12 20.88 1ixd s ALA 9 CO 0.01 -2.23 0.65 -1.33 0.00 0.00 0.00 175.76 172.86 1ixd n MET 10 N 2.96 -1.87 -0.09 0.00 2.81 -1.26 -4.87 117.12 114.80 1ixd n MET 10 Ca 0.18 1.80 -0.07 0.00 -1.81 0.00 0.00 57.70 57.79 1ixd n MET 10 Cb 0.56 -5.57 0.00 0.00 -0.71 0.00 0.00 33.22 27.49 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 1.25 0.32 -0.06 0.03 0.11 -1.82 -1.94 132.00 129.89 1ixd h PRO 11 Ca -0.03 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.08 1ixd h PRO 11 Cb 1.02 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 1ixd h PRO 11 CO 0.25 0.21 0.20 -1.35 -0.21 0.00 0.00 178.00 177.10 1ixd h PRO 12 N 0.33 0.00 0.00 1.05 0.11 -1.84 -3.45 132.00 128.19 1ixd h PRO 12 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1ixd h PRO 12 Cb 0.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.17 1ixd h PRO 12 CO -0.10 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.10 1ixd n GLY 13 N -1.23 0.92 0.89 -0.55 0.00 -0.73 -4.88 105.19 99.60 1ixd n GLY 13 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 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 0.40 0.04 1.61 3.02 -1.26 -5.00 115.26 114.07 1ixd n ASN 14 Ca 0.00 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1ixd n ASN 14 Cb 0.00 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 1ixd n ASN 14 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1ixd n SER 15 N -3.23 -0.78 0.00 6.41 2.88 -1.26 -4.83 113.62 112.80 1ixd n SER 15 Ca -0.07 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 1ixd n SER 15 Cb 0.49 1.07 0.00 0.00 -0.75 0.00 0.00 64.21 65.02 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 -2.94 0.00 0.00 0.66 8.25 -1.26 -4.54 115.22 115.39 1ixd n HIS 16 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ixd n HIS 16 Cb 0.00 0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.27 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 2.28 -0.95 3.55 -1.41 0.00 -1.26 -4.72 105.19 102.69 1ixd n GLY 17 Ca 0.00 0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 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 3.25 0.29 0.99 1.43 -1.26 -4.85 118.68 118.53 1ixd s LEU 18 Ca 0.00 -0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 52.66 1ixd s LEU 18 Cb 0.00 -2.55 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 1ixd s LEU 18 CO 0.00 -2.01 0.32 -1.83 0.23 0.00 0.00 176.35 173.06 1ixd s GLU 19 N 6.07 1.62 0.05 1.70 -1.05 -1.26 -5.07 118.70 120.77 1ixd s GLU 19 Ca 0.49 -1.73 -0.31 0.00 -0.15 0.00 0.00 54.97 53.26 1ixd s GLU 19 Cb -0.08 0.37 -0.10 0.00 -0.44 0.00 0.00 34.13 33.87 1ixd s GLU 19 CO 0.11 -0.62 1.89 0.28 0.95 0.00 0.00 175.26 177.87 1ixd n VAL 20 N -0.47 0.55 0.00 1.83 0.31 -1.26 -1.75 118.33 117.54 1ixd n VAL 20 Ca 0.03 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1ixd n VAL 20 Cb 0.63 -2.13 0.00 0.00 -0.91 0.00 0.00 33.84 31.43 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 4.35 1.73 3.90 2.92 0.00 -0.91 -5.00 105.19 112.19 1ixd n GLY 21 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.33 6.32 0.31 1.61 0.01 -0.72 -4.83 113.70 116.07 1ixd s SER 22 Ca 0.00 0.90 -0.12 0.00 1.31 0.00 0.00 55.95 58.04 1ixd s SER 22 Cb 0.00 -2.23 -0.08 0.00 0.21 0.00 0.00 66.02 63.92 1ixd s SER 22 CO 0.00 -0.49 0.68 -0.76 0.41 0.00 0.00 173.24 173.08 1ixd s LEU 23 N -4.45 4.05 0.19 2.44 1.43 -1.26 -0.62 118.68 120.46 1ixd s LEU 23 Ca 0.47 1.13 -0.08 0.00 -1.03 0.00 0.00 54.13 54.62 1ixd s LEU 23 Cb -0.10 -3.94 -0.02 0.00 0.03 0.00 0.00 46.19 42.16 1ixd s LEU 23 CO 0.41 -0.20 0.30 0.00 0.23 0.00 0.00 176.35 177.08 1ixd s ALA 24 N -2.01 0.21 0.05 4.21 0.00 -0.72 -3.13 121.76 120.36 1ixd s ALA 24 Ca 0.51 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 51.43 1ixd s ALA 24 Cb -0.10 1.03 -0.02 0.00 0.00 0.00 0.00 23.12 24.02 1ixd s ALA 24 CO 0.21 -0.69 -0.10 -2.00 0.00 0.00 0.00 175.76 173.18 1ixd s GLU 25 N -4.02 0.66 0.21 0.00 2.12 0.28 -3.32 118.70 114.64 1ixd s GLU 25 Ca 0.23 -0.79 0.10 0.00 0.36 0.00 0.00 54.97 54.88 1ixd s GLU 25 Cb 0.03 -0.55 -0.04 0.00 0.26 0.00 0.00 34.13 33.83 1ixd s GLU 25 CO 0.05 0.12 -0.11 0.08 -0.54 0.00 0.00 175.26 174.86 1ixd s VAL 26 N -1.20 3.02 -1.15 3.70 1.01 -1.26 0.18 120.40 124.71 1ixd s VAL 26 Ca -0.05 -1.86 -0.03 0.00 0.00 0.00 0.00 61.98 60.03 1ixd s VAL 26 Cb -0.09 -2.53 0.25 0.00 0.00 0.00 0.00 36.38 34.01 1ixd s VAL 26 CO 0.01 -0.20 1.95 1.17 0.00 0.00 0.00 175.10 178.02 1ixd n LYS 27 N -0.20 4.90 -1.72 2.72 4.81 -1.26 -4.86 118.16 122.55 1ixd n LYS 27 Ca -0.09 -4.20 -0.06 0.00 -0.87 0.00 0.00 58.31 53.08 1ixd n LYS 27 Cb 0.57 -2.56 0.02 0.00 0.02 0.00 0.00 35.03 33.07 1ixd n LYS 27 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1ixd n GLU 28 N 1.01 0.95 0.18 1.64 2.13 -1.26 -5.07 120.64 120.23 1ixd n GLU 28 Ca 0.48 -0.97 -0.10 0.00 0.66 0.00 0.00 57.16 57.23 1ixd n GLU 28 Cb 0.28 -0.04 -0.05 0.00 0.27 0.00 0.00 31.44 31.90 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 0.06 -0.45 -3.53 4.31 2.35 -2.04 -3.42 115.58 112.86 1ixd h ASN 29 Ca -0.09 -0.06 -0.56 0.00 -0.55 0.00 0.00 56.30 55.04 1ixd h ASN 29 Cb 0.38 0.12 -0.06 0.00 0.05 0.00 0.00 38.32 38.80 1ixd h ASN 29 CO 0.13 -0.01 0.93 -2.16 -1.65 0.00 0.00 177.43 174.67 1ixd s PRO 30 N -3.59 3.79 -0.82 0.81 0.04 -1.26 -4.94 135.00 129.03 1ixd s PRO 30 Ca -0.10 0.77 -0.25 0.00 0.04 0.00 0.00 61.00 61.46 1ixd s PRO 30 Cb 0.01 -3.89 -0.16 0.00 0.04 0.00 0.00 34.50 30.51 1ixd s PRO 30 CO 0.32 -1.29 2.38 -2.30 0.04 0.00 0.00 177.00 176.15 1ixd n PRO 31 N 7.64 0.50 -3.84 0.56 -0.02 -1.26 -4.90 135.00 133.68 1ixd n PRO 31 Ca 0.13 -0.88 -0.22 0.00 -2.02 0.00 0.00 63.50 60.50 1ixd n PRO 31 Cb 0.48 -3.60 -0.05 0.00 -0.02 0.00 0.00 33.50 30.31 1ixd n PRO 31 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1ixd s PHE 32 N 14.44 2.70 -0.14 6.00 -0.12 -1.26 -5.13 117.98 134.46 1ixd s PHE 32 Ca 0.94 -0.49 -0.04 0.00 -0.05 0.00 0.00 56.93 57.29 1ixd s PHE 32 Cb -0.15 -2.00 0.05 0.00 -0.63 0.00 0.00 43.02 40.29 1ixd s PHE 32 CO 0.11 0.07 0.06 0.71 -0.05 0.00 0.00 175.22 176.12 1ixd s TYR 33 N -2.49 0.40 0.47 3.49 2.02 -1.26 -4.61 117.35 115.36 1ixd s TYR 33 Ca 0.44 -0.31 0.03 0.00 -0.37 0.00 0.00 57.07 56.85 1ixd s TYR 33 Cb -0.01 -0.74 -0.03 0.00 -0.40 0.00 0.00 41.96 40.79 1ixd s TYR 33 CO 0.25 -0.45 0.04 0.20 -1.57 0.00 0.00 175.55 174.02 1ixd s GLY 34 N 2.07 2.82 0.04 0.71 0.00 -1.21 -3.58 107.32 108.17 1ixd s GLY 34 Ca 0.02 -0.90 0.09 0.00 0.00 0.00 0.00 44.72 43.93 1ixd s GLY 34 CO -0.07 -2.08 -0.25 0.54 0.00 0.00 0.00 173.10 171.24 1ixd s VAL 35 N -2.96 1.99 0.31 1.40 0.11 -1.22 -1.76 120.40 118.27 1ixd s VAL 35 Ca 0.15 -1.31 -0.29 0.00 -2.93 0.00 0.00 61.98 57.59 1ixd s VAL 35 Cb 0.03 -1.70 -0.11 0.00 -1.53 0.00 0.00 36.38 33.07 1ixd s VAL 35 CO 0.08 0.33 1.50 -0.63 -3.33 0.00 0.00 175.10 173.05 1ixd s ILE 36 N -0.79 2.28 0.14 7.04 1.01 0.21 -2.32 121.20 128.78 1ixd s ILE 36 Ca 0.10 0.25 0.00 0.00 0.00 0.00 0.00 60.65 61.00 1ixd s ILE 36 Cb -0.10 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.21 1ixd s ILE 36 CO 0.02 0.05 0.00 0.54 0.00 0.00 0.00 174.94 175.55 1ixd n ARG 37 N 1.63 0.00 -4.66 2.79 5.12 0.29 -2.15 116.66 119.68 1ixd n ARG 37 Ca 0.05 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.73 1ixd n ARG 37 Cb 0.39 -0.39 -0.16 0.00 -1.16 0.00 0.00 32.46 31.14 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 -2.00 1.46 -0.27 -1.55 -0.00 -1.26 -4.72 118.94 110.60 1ixd s TRP 38 Ca 0.00 -0.44 0.01 0.00 -0.00 0.00 0.00 56.10 55.67 1ixd s TRP 38 Cb 0.00 -1.02 0.08 0.00 -0.00 0.00 0.00 33.47 32.53 1ixd s TRP 38 CO 0.00 -0.18 -0.01 0.42 -0.00 0.00 0.00 176.95 177.18 1ixd s ILE 39 N 0.23 1.65 0.04 5.86 1.01 -1.26 0.75 121.20 129.49 1ixd s ILE 39 Ca -0.06 -1.55 -0.04 0.00 0.00 0.00 0.00 60.65 59.00 1ixd s ILE 39 Cb -0.12 -2.03 0.01 0.00 0.01 0.00 0.00 42.46 40.34 1ixd s ILE 39 CO 0.02 -0.31 0.18 0.61 0.00 0.00 0.00 174.94 175.44 1ixd n GLY 40 N 4.58 1.33 2.91 6.18 0.00 -1.17 -4.93 105.19 114.10 1ixd n GLY 40 Ca -0.07 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 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 1.57 0.92 1.61 -0.21 -1.26 -1.49 119.66 118.79 1ixd s GLN 41 Ca 0.04 -0.57 -0.11 0.00 0.02 0.00 0.00 55.36 54.74 1ixd s GLN 41 Cb -0.01 -2.07 0.11 0.00 1.00 0.00 0.00 33.01 32.04 1ixd s GLN 41 CO 0.01 -0.42 0.92 -2.30 -2.12 0.00 0.00 175.29 171.38 1ixd n PRO 42 N 4.84 -0.36 -2.18 2.91 -0.02 -1.26 -4.84 135.00 134.09 1ixd n PRO 42 Ca -0.13 -0.04 -0.31 0.00 -2.02 0.00 0.00 63.50 61.00 1ixd n PRO 42 Cb 0.48 -2.22 -0.05 0.00 -0.02 0.00 0.00 33.50 31.69 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 -4.27 2.83 0.00 0.52 0.04 -1.26 -3.35 135.00 129.51 1ixd s PRO 43 Ca 0.64 -0.74 0.00 0.00 0.04 0.00 0.00 61.00 60.94 1ixd s PRO 43 Cb -0.23 -5.19 0.00 0.00 0.04 0.00 0.00 34.50 29.12 1ixd s PRO 43 CO 0.60 -3.22 0.00 0.41 0.04 0.00 0.00 177.00 174.84 1ixd n GLY 44 N 6.55 1.40 3.05 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 2.99 -0.45 0.99 2.34 -1.21 -5.08 118.68 118.25 1ixd s LEU 45 Ca 0.00 -1.19 -0.28 0.00 0.06 0.00 0.00 54.13 52.72 1ixd s LEU 45 Cb 0.00 -1.45 0.00 0.00 -0.56 0.00 0.00 46.19 44.18 1ixd s LEU 45 CO 0.00 -0.16 1.53 0.21 -1.06 0.00 0.00 176.35 176.87 1ixd s ASN 46 N 1.21 6.09 -0.30 1.48 2.47 -1.26 -4.11 114.94 120.52 1ixd s ASN 46 Ca -0.05 0.74 -0.14 0.00 0.42 0.00 0.00 52.86 53.82 1ixd s ASN 46 Cb -0.18 -2.54 0.15 0.00 -1.45 0.00 0.00 41.25 37.23 1ixd s ASN 46 CO -0.07 -1.65 0.89 -1.83 -3.72 0.00 0.00 177.10 170.72 1ixd s GLU 47 N 5.43 0.39 -0.47 0.43 -1.05 -1.26 -5.10 118.70 117.07 1ixd s GLU 47 Ca 0.63 0.94 -0.27 0.00 -0.15 0.00 0.00 54.97 56.13 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 2.09 0.08 0.95 0.00 0.00 175.26 178.55 1ixd s VAL 48 N 2.47 3.21 -0.29 1.83 1.01 -1.26 -4.22 120.40 123.15 1ixd s VAL 48 Ca -0.04 0.16 -0.07 0.00 0.00 0.00 0.00 61.98 62.03 1ixd s VAL 48 Cb -0.07 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1ixd s VAL 48 CO -0.18 -0.40 0.08 -0.76 0.00 0.00 0.00 175.10 173.84 1ixd s LEU 49 N 9.70 3.80 -0.35 3.92 1.43 -0.55 0.98 118.68 137.61 1ixd s LEU 49 Ca 0.84 -0.65 -0.19 0.00 -1.03 0.00 0.00 54.13 53.11 1ixd s LEU 49 Cb -0.18 -1.89 -0.00 0.00 0.03 0.00 0.00 46.19 44.15 1ixd s LEU 49 CO 0.27 -0.17 0.55 0.00 0.23 0.00 0.00 176.35 177.22 1ixd s ALA 50 N 1.51 3.47 0.04 4.21 0.00 0.76 -3.05 121.76 128.70 1ixd s ALA 50 Ca 0.03 -0.95 -0.30 0.00 0.00 0.00 0.00 51.96 50.73 1ixd s ALA 50 Cb -0.17 -3.06 -0.08 0.00 0.00 0.00 0.00 23.12 19.81 1ixd s ALA 50 CO 0.03 -1.25 1.72 0.20 0.00 0.00 0.00 175.76 176.46 1ixd s GLY 51 N 1.76 1.52 -0.13 0.00 0.00 0.23 -3.19 107.32 107.52 1ixd s GLY 51 Ca 0.20 1.18 0.00 0.00 0.00 0.00 0.00 44.72 46.11 1ixd s GLY 51 CO 0.14 3.04 -0.14 1.08 0.00 0.00 0.00 173.10 177.21 1ixd s LEU 52 N 3.29 2.64 -0.45 0.66 1.43 -0.37 0.11 118.68 126.00 1ixd s LEU 52 Ca 0.77 -0.35 -0.14 0.00 -1.03 0.00 0.00 54.13 53.38 1ixd s LEU 52 Cb -0.39 -1.59 0.07 0.00 0.03 0.00 0.00 46.19 44.31 1ixd s LEU 52 CO 0.33 0.17 0.35 -0.70 0.23 0.00 0.00 176.35 176.72 1ixd s GLU 53 N 0.34 2.88 0.32 1.70 2.12 -0.98 0.32 118.70 125.41 1ixd s GLU 53 Ca -0.12 -1.33 -0.29 0.00 0.36 0.00 0.00 54.97 53.59 1ixd s GLU 53 Cb -0.16 -4.02 -0.10 0.00 0.26 0.00 0.00 34.13 30.11 1ixd s GLU 53 CO 0.06 -0.97 1.30 -0.51 -0.54 0.00 0.00 175.26 174.60 1ixd s LEU 54 N 1.59 4.43 0.13 2.70 1.43 -1.20 -3.37 118.68 124.40 1ixd s LEU 54 Ca 0.04 2.64 -0.14 0.00 -1.03 0.00 0.00 54.13 55.64 1ixd s LEU 54 Cb -0.23 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.32 1ixd s LEU 54 CO 0.06 -0.51 1.57 -0.33 0.23 0.00 0.00 176.35 177.36 1ixd h GLU 55 N 3.56 0.73 -6.15 1.70 5.08 -1.92 -3.43 114.58 114.15 1ixd h GLU 55 Ca -0.48 -0.24 -0.55 0.00 -1.00 0.00 0.00 59.36 57.08 1ixd h GLU 55 Cb 1.22 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 1ixd h GLU 55 CO 0.66 0.83 0.14 -0.51 -1.00 0.00 0.00 179.01 179.13 1ixd s ASP 56 N -6.25 7.10 -0.42 1.42 1.01 -1.26 -5.00 116.67 113.26 1ixd s ASP 56 Ca -0.13 1.32 -0.28 0.00 0.71 0.00 0.00 52.55 54.17 1ixd s ASP 56 Cb 0.10 -2.45 0.00 0.00 1.01 0.00 0.00 42.92 41.59 1ixd s ASP 56 CO 0.80 -0.10 1.53 -1.61 0.21 0.00 0.00 175.17 176.00 1ixd s GLU 57 N 0.59 3.43 -0.13 8.23 2.02 -1.26 -4.83 118.70 126.75 1ixd s GLU 57 Ca 0.40 0.98 -0.07 0.00 0.02 0.00 0.00 54.97 56.30 1ixd s GLU 57 Cb -0.19 -4.10 -0.04 0.00 0.10 0.00 0.00 34.13 29.90 1ixd s GLU 57 CO 0.21 -1.74 0.11 0.00 0.02 0.00 0.00 175.26 173.85 1ixd s ALA 59 N -0.64 2.71 0.00 0.00 0.00 -1.26 -2.77 121.76 119.80 1ixd s ALA 59 Ca 0.12 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1ixd s ALA 59 Cb -0.12 -4.09 0.00 0.00 0.00 0.00 0.00 23.12 18.92 1ixd s ALA 59 CO 0.02 -2.95 0.00 0.41 0.00 0.00 0.00 175.76 173.24 1ixd n GLY 60 N 5.42 1.27 3.61 0.00 0.00 -1.26 -5.13 105.19 109.09 1ixd n GLY 60 Ca 0.20 0.00 -0.29 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 -4.44 0.00 -1.45 0.00 -2.24 -1.07 -4.23 114.28 100.86 1ixd n THR 62 Ca 0.05 -1.78 -0.10 0.00 -2.27 0.00 0.00 64.05 59.94 1ixd n THR 62 Cb 0.56 -0.44 0.18 0.00 -2.10 0.00 0.00 70.33 68.54 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 -2.25 2.99 0.00 3.42 5.68 -1.26 -1.53 116.55 123.60 1ixd n ASP 63 Ca 0.10 -3.77 0.00 0.00 -0.50 0.00 0.00 54.79 50.62 1ixd n ASP 63 Cb 0.54 -0.67 0.00 0.00 -1.14 0.00 0.00 41.12 39.85 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 -1.11 0.97 2.85 6.12 0.00 -1.26 -3.76 105.19 108.99 1ixd n GLY 64 Ca 0.40 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.89 -0.07 -0.36 2.61 -4.23 -1.26 -2.73 115.64 107.70 1ixd s THR 65 Ca 0.00 0.22 -0.06 0.00 -1.18 0.00 0.00 61.69 60.67 1ixd s THR 65 Cb 0.00 -0.18 0.06 0.00 1.34 0.00 0.00 72.50 73.71 1ixd s THR 65 CO 0.00 0.09 0.14 0.12 -0.54 0.00 0.00 174.62 174.43 1ixd s PHE 66 N 1.29 3.32 -1.36 3.99 5.36 -0.87 -4.59 117.98 125.12 1ixd s PHE 66 Ca -0.07 -1.62 -0.09 0.00 -0.96 0.00 0.00 56.93 54.19 1ixd s PHE 66 Cb -0.12 -2.53 0.01 0.00 -0.34 0.00 0.00 43.02 40.04 1ixd s PHE 66 CO -0.05 -0.79 1.13 0.54 -1.46 0.00 0.00 175.22 174.58 1ixd n ARG 67 N 4.79 -7.64 -1.91 10.12 1.74 -1.26 -2.01 116.66 120.49 1ixd n ARG 67 Ca -0.11 0.83 -0.05 0.00 -0.77 0.00 0.00 57.85 57.75 1ixd n ARG 67 Cb 0.44 -5.83 -0.01 0.00 -1.02 0.00 0.00 32.46 26.04 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 -1.96 0.28 2.72 -0.13 0.00 -1.26 -5.01 105.19 99.83 1ixd n GLY 68 Ca -0.00 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.23 1.14 0.25 2.61 2.01 -0.85 -5.11 115.64 113.47 1ixd s THR 69 Ca 0.00 -1.99 -0.31 0.00 0.31 0.00 0.00 61.69 59.70 1ixd s THR 69 Cb 0.00 -1.83 -0.12 0.00 0.01 0.00 0.00 72.50 70.56 1ixd s THR 69 CO 0.00 -0.79 1.67 -1.14 -0.69 0.00 0.00 174.62 173.67 1ixd n ARG 70 N 4.18 2.78 -0.01 4.92 0.63 -1.26 -2.05 116.66 125.84 1ixd n ARG 70 Ca 0.04 0.99 -0.01 0.00 -0.92 0.00 0.00 57.85 57.95 1ixd n ARG 70 Cb 0.38 -2.82 -0.01 0.00 0.45 0.00 0.00 32.46 30.47 1ixd n ARG 70 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1ixd n TYR 71 N 3.07 0.00 -4.21 -0.14 4.01 -1.11 -4.96 117.16 113.83 1ixd n TYR 71 Ca 0.12 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.70 1ixd n TYR 71 Cb 0.36 -0.08 -0.06 0.00 -0.31 0.00 0.00 39.34 39.25 1ixd n TYR 71 CO 0.00 0.00 0.00 1.97 -0.46 0.00 0.00 176.86 178.37 1ixd n PHE 72 N -2.61 -0.78 -3.95 -0.72 -1.74 -1.25 -4.96 117.46 101.46 1ixd n PHE 72 Ca -0.04 -2.39 -0.34 0.00 -0.56 0.00 0.00 57.45 54.12 1ixd n PHE 72 Cb 0.54 0.28 -0.14 0.00 1.52 0.00 0.00 39.48 41.68 1ixd n PHE 72 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1ixd s THR 73 N -3.12 2.87 0.28 1.97 2.01 -1.26 -4.70 115.64 113.69 1ixd s THR 73 Ca 0.33 -1.21 0.06 0.00 0.31 0.00 0.00 61.69 61.18 1ixd s THR 73 Cb 0.01 -2.55 -0.02 0.00 0.01 0.00 0.00 72.50 69.95 1ixd s THR 73 CO 0.24 0.06 0.20 0.00 -0.69 0.00 0.00 174.62 174.43 1ixd n ALA 75 N -1.24 -1.95 -2.51 0.00 0.00 -1.26 -4.78 120.51 108.76 1ixd n ALA 75 Ca -0.10 -1.03 -0.38 0.00 0.00 0.00 0.00 53.44 51.93 1ixd n ALA 75 Cb 0.48 -0.07 -0.06 0.00 0.00 0.00 0.00 19.45 19.81 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 4.47 -1.30 0.00 1.43 -1.26 -4.20 118.68 117.82 1ixd s LEU 76 Ca 0.45 0.96 -0.09 0.00 -1.03 0.00 0.00 54.13 54.42 1ixd s LEU 76 Cb -0.04 -2.60 0.01 0.00 0.03 0.00 0.00 46.19 43.59 1ixd s LEU 76 CO 0.34 0.32 1.13 0.29 0.23 0.00 0.00 176.35 178.66 1ixd n LYS 77 N 1.77 -7.63 -2.76 1.70 4.76 -1.12 -4.87 118.16 110.02 1ixd n LYS 77 Ca -0.14 0.79 -0.02 0.00 -2.87 0.00 0.00 58.31 56.08 1ixd n LYS 77 Cb 0.52 -5.74 0.08 0.00 -1.84 0.00 0.00 35.03 28.06 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 -4.81 1.53 -3.63 1.97 5.02 -0.78 -2.15 118.16 115.31 1ixd n LYS 78 Ca 0.01 -2.52 -0.27 0.00 -2.02 0.00 0.00 58.31 53.51 1ixd n LYS 78 Cb 0.56 -0.72 -0.16 0.00 -0.02 0.00 0.00 35.03 34.68 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 -2.04 0.66 -0.22 7.82 0.00 -0.58 -3.23 121.76 124.16 1ixd s ALA 79 Ca 0.20 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1ixd s ALA 79 Cb 0.38 -1.17 0.06 0.00 0.00 0.00 0.00 23.12 22.39 1ixd s ALA 79 CO -0.07 -1.30 -0.05 -1.17 0.00 0.00 0.00 175.76 173.17 1ixd s LEU 80 N 2.04 2.34 0.10 0.00 2.96 0.15 -2.60 118.68 123.68 1ixd s LEU 80 Ca 0.03 -1.07 -0.24 0.00 -0.22 0.00 0.00 54.13 52.62 1ixd s LEU 80 Cb -0.16 -1.11 -0.07 0.00 0.50 0.00 0.00 46.19 45.35 1ixd s LEU 80 CO -0.15 -0.23 0.75 -0.36 -1.32 0.00 0.00 176.35 175.03 1ixd s PHE 81 N 1.46 3.83 0.18 5.38 0.40 -1.26 -1.23 117.98 126.73 1ixd s PHE 81 Ca -0.04 1.52 -0.07 0.00 -0.60 0.00 0.00 56.93 57.74 1ixd s PHE 81 Cb -0.18 -2.76 -0.02 0.00 0.51 0.00 0.00 43.02 40.57 1ixd s PHE 81 CO -0.07 0.43 0.26 0.14 0.70 0.00 0.00 175.22 176.68 1ixd s VAL 82 N -0.69 0.05 -0.05 -0.44 -7.23 -1.19 -4.95 120.40 105.89 1ixd s VAL 82 Ca 0.36 -1.59 -0.30 0.00 -1.81 0.00 0.00 61.98 58.64 1ixd s VAL 82 Cb -0.22 -2.07 -0.05 0.00 0.56 0.00 0.00 36.38 34.60 1ixd s VAL 82 CO 0.24 -0.21 1.55 -0.54 -0.31 0.00 0.00 175.10 175.84 1ixd s LYS 83 N -4.03 4.21 0.52 4.82 1.02 -1.26 -0.17 119.74 124.85 1ixd s LYS 83 Ca 0.23 2.09 0.17 0.00 0.02 0.00 0.00 55.97 58.48 1ixd s LYS 83 Cb 0.04 -3.84 1.28 0.00 -0.52 0.00 0.00 37.83 34.79 1ixd s LYS 83 CO 0.04 -0.77 2.14 1.25 -0.92 0.00 0.00 175.35 177.10 1ixd h LEU 84 N 9.66 0.00 -1.77 3.17 5.85 0.29 -0.74 115.31 131.78 1ixd h LEU 84 Ca -0.38 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 1ixd h LEU 84 Cb 1.17 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 1ixd h LEU 84 CO 0.94 0.00 -0.16 0.07 -0.34 0.00 0.00 178.44 178.96 1ixd h LYS 85 N 0.00 0.00 -0.75 1.25 2.10 -1.90 -2.13 116.57 115.13 1ixd h LYS 85 Ca 0.02 0.00 -0.41 0.00 -2.00 0.00 0.00 60.65 58.25 1ixd h LYS 85 Cb 0.07 0.00 -0.24 0.00 -0.90 0.00 0.00 32.23 31.16 1ixd h LYS 85 CO -0.00 0.16 0.34 0.43 -2.00 0.00 0.00 179.45 178.38 1ixd n SER 86 N -4.06 3.75 -4.64 7.07 7.64 -0.29 -4.97 113.62 118.12 1ixd n SER 86 Ca -0.02 -3.71 -0.34 0.00 1.01 0.00 0.00 58.87 55.81 1ixd n SER 86 Cb 0.24 -0.76 -0.10 0.00 -1.01 0.00 0.00 64.21 62.58 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 -0.82 2.62 -0.53 0.00 0.52 0.13 -4.90 118.95 115.96 1ixd s ARG 88 Ca 0.13 -0.70 -0.28 0.00 -0.52 0.00 0.00 55.73 54.35 1ixd s ARG 88 Cb -0.11 -2.56 0.02 0.00 0.52 0.00 0.00 34.95 32.82 1ixd s ARG 88 CO 0.02 0.60 1.34 -1.25 0.02 0.00 0.00 175.30 176.03 1ixd s PRO 89 N -1.58 3.44 0.14 3.54 0.04 -1.26 0.10 135.00 139.41 1ixd s PRO 89 Ca 0.19 0.50 -0.31 0.00 0.04 0.00 0.00 61.00 61.42 1ixd s PRO 89 Cb -0.11 -4.06 -0.09 0.00 0.04 0.00 0.00 34.50 30.28 1ixd s PRO 89 CO 0.10 -1.76 1.49 0.34 0.04 0.00 0.00 177.00 177.20 1ixd s ASP 90 N 3.83 6.70 -0.36 6.66 2.15 -1.19 -4.89 116.67 129.57 1ixd s ASP 90 Ca 0.51 2.48 0.07 0.00 0.43 0.00 0.00 52.55 56.04 1ixd s ASP 90 Cb -0.10 -2.59 0.55 0.00 -0.30 0.00 0.00 42.92 40.48 1ixd s ASP 90 CO 0.27 -0.75 1.60 -0.24 -0.17 0.00 0.00 175.17 175.89 1ixd n SER 91 N 4.02 3.17 0.15 -0.34 2.88 -1.26 -4.62 113.62 117.63 1ixd n SER 91 Ca 0.13 -3.75 0.01 0.00 -1.33 0.00 0.00 58.87 53.93 1ixd n SER 91 Cb 0.40 -0.70 0.34 0.00 -0.75 0.00 0.00 64.21 63.50 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 1.11 0.11 0.00 -1.46 3.08 -1.98 -3.15 114.38 112.08 1ixd h ARG 92 Ca 0.36 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.32 1ixd h ARG 92 Cb 1.93 -0.01 -0.11 0.00 0.08 0.00 0.00 29.97 31.86 1ixd h ARG 92 CO 0.66 0.42 -0.59 1.19 -1.07 0.00 0.00 179.97 180.58 1ixd n PHE 93 N -4.13 0.00 -3.69 3.04 3.01 -1.26 -5.03 117.46 109.40 1ixd n PHE 93 Ca -0.02 -1.04 -0.37 0.00 1.01 0.00 0.00 57.45 57.04 1ixd n PHE 93 Cb 0.39 -0.19 -0.11 0.00 -0.01 0.00 0.00 39.48 39.55 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 -2.02 3.43 -0.26 4.37 0.00 -1.19 -5.07 121.76 121.01 1ixd s ALA 94 Ca 0.33 -1.03 -0.11 0.00 0.00 0.00 0.00 51.96 51.15 1ixd s ALA 94 Cb 0.34 -2.28 -0.05 0.00 0.00 0.00 0.00 23.12 21.13 1ixd s ALA 94 CO -0.08 -0.39 0.20 -1.54 0.00 0.00 0.00 175.76 173.95 1ixd s SER 95 N 1.44 6.08 -0.10 0.00 1.04 -1.26 -4.95 113.70 115.95 1ixd s SER 95 Ca 0.06 0.07 0.11 0.00 0.48 0.00 0.00 55.95 56.67 1ixd s SER 95 Cb -0.15 -2.13 -0.24 0.00 0.10 0.00 0.00 66.02 63.61 1ixd s SER 95 CO 0.07 -0.02 0.46 -0.11 0.98 0.00 0.00 173.24 174.62 1ixd n LEU 96 N 4.81 1.01 -4.75 2.42 0.00 -1.26 -4.94 117.00 114.29 1ixd n LEU 96 Ca -0.14 0.28 -0.36 0.00 0.00 0.00 0.00 56.01 55.79 1ixd n LEU 96 Cb 0.52 0.02 0.04 0.00 0.00 0.00 0.00 43.42 44.00 1ixd n LEU 96 CO 0.34 0.50 0.87 -1.10 0.00 0.00 0.00 177.39 178.00 1ixd s GLN 97 N -2.57 3.01 0.32 1.96 -0.21 -1.26 -4.93 119.66 115.98 1ixd s GLN 97 Ca -0.09 1.91 -0.28 0.00 0.02 0.00 0.00 55.36 56.92 1ixd s GLN 97 Cb 0.07 -2.00 -0.13 0.00 1.00 0.00 0.00 33.01 31.95 1ixd s GLN 97 CO 0.81 -1.20 1.14 -2.30 -2.12 0.00 0.00 175.29 171.62 1ixd n PRO 98 N -1.46 1.71 -3.77 2.91 -0.02 -1.26 -5.01 135.00 128.09 1ixd n PRO 98 Ca 0.13 0.60 -0.13 0.00 -2.02 0.00 0.00 63.50 62.07 1ixd n PRO 98 Cb 0.49 -2.08 -0.14 0.00 -0.02 0.00 0.00 33.50 31.75 1ixd n PRO 98 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ixd s SER 99 N -0.46 -0.09 0.37 2.55 0.15 -1.26 -5.17 113.70 109.79 1ixd s SER 99 Ca 0.57 0.26 0.07 0.00 0.70 0.00 0.00 55.95 57.56 1ixd s SER 99 Cb -0.63 0.17 -0.02 0.00 -1.71 0.00 0.00 66.02 63.83 1ixd s SER 99 CO 0.61 -0.12 0.38 -0.83 1.20 0.00 0.00 173.24 174.47 1ixd s GLY 100 N 0.93 1.86 0.52 9.45 0.00 -1.26 -5.00 107.32 113.82 1ixd s GLY 100 Ca -0.07 -1.69 0.28 0.00 0.00 0.00 0.00 44.72 43.24 1ixd s GLY 100 CO -0.04 -1.57 1.91 -2.55 0.00 0.00 0.00 173.10 170.85 1ixd h PRO 101 N 1.06 0.06 -6.47 2.90 0.11 -2.07 -3.41 132.00 124.17 1ixd h PRO 101 Ca -0.43 -0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.17 1ixd h PRO 101 Cb 1.26 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.37 1ixd h PRO 101 CO 0.55 0.04 -0.16 0.45 -0.21 0.00 0.00 178.00 178.67 1ixd s SER 102 N -5.78 5.06 0.07 -2.05 0.15 -1.26 -5.15 113.70 104.75 1ixd s SER 102 Ca -0.05 -0.88 -0.23 0.00 0.70 0.00 0.00 55.95 55.49 1ixd s SER 102 Cb 0.21 0.20 0.06 0.00 -1.71 0.00 0.00 66.02 64.78 1ixd s SER 102 CO 0.76 -1.22 0.54 -0.55 1.20 0.00 0.00 173.24 173.98 1ixd s SER 103 N -4.54 -0.47 0.00 5.45 0.15 -1.26 -5.08 113.70 107.95 1ixd s SER 103 Ca 0.55 0.13 0.00 0.00 0.70 0.00 0.00 55.95 57.33 1ixd s SER 103 Cb -0.05 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 1ixd s SER 103 CO 0.35 -0.78 0.00 0.61 1.20 0.00 0.00 173.24 174.62