#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 0.00 -0.06 1.61 7.64 -1.26 -4.97 113.62 116.58 1ixd n SER 2 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 1ixd n SER 2 Cb 0.00 0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.20 1ixd n SER 2 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1ixd h SER 3 N 0.00 0.00 -3.61 6.43 4.64 -2.12 -3.50 113.55 115.38 1ixd h SER 3 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1ixd h SER 3 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1ixd h SER 3 CO 0.00 0.62 -0.37 0.61 -0.87 0.00 0.00 176.83 176.82 1ixd n GLY 4 N 1.71 -3.43 3.00 -0.77 0.00 -1.26 -5.09 105.19 99.34 1ixd n GLY 4 Ca -0.03 0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 1ixd n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ixd s SER 5 N -0.36 0.71 -0.15 1.61 1.04 -1.26 -5.04 113.70 110.26 1ixd s SER 5 Ca -0.04 -0.26 0.16 0.00 0.48 0.00 0.00 55.95 56.29 1ixd s SER 5 Cb 0.00 -0.03 0.43 0.00 0.10 0.00 0.00 66.02 66.51 1ixd s SER 5 CO 0.23 -0.03 1.20 -1.20 0.98 0.00 0.00 173.24 174.43 1ixd n SER 6 N 2.42 1.56 0.00 7.02 7.64 -1.26 -5.02 113.62 125.98 1ixd n SER 6 Ca -0.16 -3.27 0.00 0.00 1.01 0.00 0.00 58.87 56.44 1ixd n SER 6 Cb 0.57 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 1ixd n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ixd n GLY 7 N -0.59 3.38 0.00 0.23 0.00 -1.26 -5.12 105.19 101.83 1ixd n GLY 7 Ca 0.15 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 0.41 -2.70 0.99 4.77 -1.26 -5.03 117.00 114.18 1ixd n LEU 8 Ca 0.00 0.02 -0.05 0.00 -0.03 0.00 0.00 56.01 55.95 1ixd n LEU 8 Cb 0.00 -0.10 0.05 0.00 -2.33 0.00 0.00 43.42 41.05 1ixd n LEU 8 CO 0.00 -0.10 0.42 0.00 -1.33 0.00 0.00 177.39 176.38 1ixd n ALA 9 N -1.54 -2.87 -2.67 -1.18 0.00 -1.26 -5.06 120.51 105.93 1ixd n ALA 9 Ca 0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 53.44 52.80 1ixd n ALA 9 Cb 0.00 -2.56 0.09 0.00 0.00 0.00 0.00 19.45 16.98 1ixd n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ixd n MET 10 N 1.92 0.17 -0.11 0.00 0.00 -1.26 -4.40 117.12 113.44 1ixd n MET 10 Ca 0.07 -0.75 -0.07 0.00 0.00 0.00 0.00 57.70 56.95 1ixd n MET 10 Cb 0.66 -0.24 0.01 0.00 0.00 0.00 0.00 33.22 33.65 1ixd n MET 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 1ixd h PRO 11 N 2.68 0.37 -0.11 3.17 0.11 -1.90 -1.83 132.00 134.49 1ixd h PRO 11 Ca -0.27 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.85 1ixd h PRO 11 Cb 1.21 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1ixd h PRO 11 CO -0.08 0.25 0.25 -1.35 -0.21 0.00 0.00 178.00 176.85 1ixd h PRO 12 N 0.38 0.00 0.00 1.05 0.11 -1.97 -3.45 132.00 128.13 1ixd h PRO 12 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1ixd h PRO 12 Cb 0.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.18 1ixd h PRO 12 CO -0.11 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.09 1ixd n GLY 13 N -1.28 2.01 0.49 -0.55 0.00 -0.69 -5.09 105.19 100.07 1ixd n GLY 13 Ca 0.00 0.00 -0.04 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 -2.17 0.00 1.61 4.13 -1.26 -4.99 115.26 112.58 1ixd n ASN 14 Ca 0.00 -0.13 0.00 0.00 1.68 0.00 0.00 54.58 56.13 1ixd n ASN 14 Cb 0.00 -0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.09 1ixd n ASN 14 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1ixd n SER 15 N -3.11 0.00 -0.09 6.41 2.88 -1.26 -4.71 113.62 113.74 1ixd n SER 15 Ca 0.02 0.66 -0.12 0.00 -1.33 0.00 0.00 58.87 58.10 1ixd n SER 15 Cb 0.09 -0.46 -0.09 0.00 -0.75 0.00 0.00 64.21 63.00 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 -1.88 0.00 0.00 0.66 8.25 -1.26 -4.55 115.22 116.43 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 -0.70 0.00 0.00 1.12 0.00 0.00 29.99 30.41 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 2.53 -0.22 3.55 -1.41 0.00 -1.26 -4.39 105.19 103.99 1ixd n GLY 17 Ca -0.31 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 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 3.27 0.34 0.99 1.43 -1.26 -4.85 118.68 118.61 1ixd s LEU 18 Ca 0.00 0.28 0.03 0.00 -1.03 0.00 0.00 54.13 53.41 1ixd s LEU 18 Cb 0.00 -2.53 -0.02 0.00 0.03 0.00 0.00 46.19 43.67 1ixd s LEU 18 CO 0.00 -2.55 0.36 -1.83 0.23 0.00 0.00 176.35 172.56 1ixd s GLU 19 N 7.27 1.84 0.11 1.70 -1.05 -1.26 -5.07 118.70 122.23 1ixd s GLU 19 Ca 0.73 -1.92 -0.31 0.00 -0.15 0.00 0.00 54.97 53.31 1ixd s GLU 19 Cb -0.12 0.38 -0.11 0.00 -0.44 0.00 0.00 34.13 33.84 1ixd s GLU 19 CO 0.18 -0.72 1.84 0.28 0.95 0.00 0.00 175.26 177.79 1ixd n VAL 20 N -0.61 0.40 0.00 1.83 0.31 -1.26 -1.91 118.33 117.09 1ixd n VAL 20 Ca 0.05 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1ixd n VAL 20 Cb 0.62 -2.11 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 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 4.24 2.81 3.77 2.92 0.00 -0.27 -4.99 105.19 113.66 1ixd n GLY 21 Ca 0.18 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.26 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 0.22 7.20 0.52 1.61 0.01 -0.80 -4.68 113.70 117.78 1ixd s SER 22 Ca 0.00 2.09 -0.19 0.00 1.31 0.00 0.00 55.95 59.16 1ixd s SER 22 Cb 0.00 -2.61 -0.07 0.00 0.21 0.00 0.00 66.02 63.55 1ixd s SER 22 CO 0.00 -0.18 1.06 -0.76 0.41 0.00 0.00 173.24 173.77 1ixd s LEU 23 N -1.81 3.76 0.11 2.44 1.43 -1.26 -1.67 118.68 121.67 1ixd s LEU 23 Ca 0.48 1.96 -0.14 0.00 -1.03 0.00 0.00 54.13 55.40 1ixd s LEU 23 Cb -0.26 -4.56 0.03 0.00 0.03 0.00 0.00 46.19 41.42 1ixd s LEU 23 CO 0.33 -0.95 0.35 0.00 0.23 0.00 0.00 176.35 176.31 1ixd s ALA 24 N -2.03 -0.76 0.06 4.21 0.00 -0.66 -2.58 121.76 120.00 1ixd s ALA 24 Ca 0.68 -0.17 0.08 0.00 0.00 0.00 0.00 51.96 52.55 1ixd s ALA 24 Cb -0.18 0.62 -0.03 0.00 0.00 0.00 0.00 23.12 23.53 1ixd s ALA 24 CO 0.25 -0.60 -0.22 -2.00 0.00 0.00 0.00 175.76 173.19 1ixd s GLU 25 N -3.72 1.42 0.01 0.00 2.12 -0.14 -3.27 118.70 115.12 1ixd s GLU 25 Ca 0.03 -1.04 0.01 0.00 0.36 0.00 0.00 54.97 54.33 1ixd s GLU 25 Cb 0.02 -1.60 -0.04 0.00 0.26 0.00 0.00 34.13 32.77 1ixd s GLU 25 CO -0.11 0.40 0.03 0.08 -0.54 0.00 0.00 175.26 175.12 1ixd s VAL 26 N -0.88 4.34 -1.20 3.70 1.01 -1.26 -1.66 120.40 124.45 1ixd s VAL 26 Ca 0.09 -0.59 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 1ixd s VAL 26 Cb -0.09 -2.97 0.19 0.00 0.00 0.00 0.00 36.38 33.51 1ixd s VAL 26 CO 0.03 0.33 1.45 0.29 0.00 0.00 0.00 175.10 177.20 1ixd n LYS 27 N 1.20 3.47 -2.07 2.72 4.76 -1.26 -4.84 118.16 122.15 1ixd n LYS 27 Ca -0.13 -3.93 -0.01 0.00 -2.87 0.00 0.00 58.31 51.37 1ixd n LYS 27 Cb 0.53 -2.93 -0.00 0.00 -1.84 0.00 0.00 35.03 30.78 1ixd n LYS 27 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1ixd n GLU 28 N 4.78 1.62 0.10 1.97 2.13 -1.26 -5.09 120.64 124.89 1ixd n GLU 28 Ca 0.35 -0.10 -0.07 0.00 0.66 0.00 0.00 57.16 58.00 1ixd n GLU 28 Cb 0.41 0.03 -0.04 0.00 0.27 0.00 0.00 31.44 32.11 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 0.04 -0.29 -3.53 4.31 2.35 -2.04 -3.43 115.58 112.99 1ixd h ASN 29 Ca -0.01 -0.09 -0.56 0.00 -0.55 0.00 0.00 56.30 55.09 1ixd h ASN 29 Cb 0.03 0.07 -0.06 0.00 0.05 0.00 0.00 38.32 38.41 1ixd h ASN 29 CO 0.02 0.20 0.94 -2.16 -1.65 0.00 0.00 177.43 174.78 1ixd s PRO 30 N -2.90 3.77 -0.32 0.81 0.04 -1.26 -4.97 135.00 130.17 1ixd s PRO 30 Ca -0.07 0.76 -0.27 0.00 0.04 0.00 0.00 61.00 61.45 1ixd s PRO 30 Cb 0.00 -3.90 -0.05 0.00 0.04 0.00 0.00 34.50 30.60 1ixd s PRO 30 CO 0.24 -1.31 2.21 -2.14 0.04 0.00 0.00 177.00 176.04 1ixd s PRO 31 N 4.38 2.85 0.01 0.56 0.02 -1.26 -4.95 135.00 136.61 1ixd s PRO 31 Ca 0.50 1.74 0.02 0.00 0.02 0.00 0.00 61.00 63.29 1ixd s PRO 31 Cb -0.10 -4.41 -0.01 0.00 0.02 0.00 0.00 34.50 30.00 1ixd s PRO 31 CO 0.28 -2.43 -0.07 -0.59 -0.33 0.00 0.00 177.00 173.87 1ixd s PHE 32 N 9.25 0.63 -0.00 6.54 -0.12 -1.26 -5.15 117.98 127.86 1ixd s PHE 32 Ca 0.96 -0.23 0.02 0.00 -0.05 0.00 0.00 56.93 57.63 1ixd s PHE 32 Cb -0.27 -0.39 -0.04 0.00 -0.63 0.00 0.00 43.02 41.70 1ixd s PHE 32 CO 0.32 -0.03 -0.00 0.71 -0.05 0.00 0.00 175.22 176.17 1ixd s TYR 33 N -0.54 3.06 0.13 3.49 2.02 -1.26 -4.41 117.35 119.83 1ixd s TYR 33 Ca -0.01 0.07 -0.21 0.00 -0.37 0.00 0.00 57.07 56.55 1ixd s TYR 33 Cb -0.05 -1.67 0.06 0.00 -0.40 0.00 0.00 41.96 39.90 1ixd s TYR 33 CO 0.00 0.46 0.53 0.20 -1.57 0.00 0.00 175.55 175.17 1ixd s GLY 34 N -1.54 -0.49 -0.07 0.71 0.00 -1.20 -3.34 107.32 101.39 1ixd s GLY 34 Ca 0.19 0.37 -0.01 0.00 0.00 0.00 0.00 44.72 45.27 1ixd s GLY 34 CO 0.10 0.07 0.01 0.54 0.00 0.00 0.00 173.10 173.82 1ixd s VAL 35 N -3.50 4.33 0.28 1.40 0.11 -1.12 -1.65 120.40 120.24 1ixd s VAL 35 Ca 0.00 -0.31 -0.30 0.00 -2.93 0.00 0.00 61.98 58.44 1ixd s VAL 35 Cb -0.00 -2.85 -0.11 0.00 -1.53 0.00 0.00 36.38 31.89 1ixd s VAL 35 CO -0.10 0.55 1.57 -0.63 -3.33 0.00 0.00 175.10 173.16 1ixd s ILE 36 N -0.94 2.20 0.05 7.04 1.01 -0.67 -1.38 121.20 128.51 1ixd s ILE 36 Ca 0.15 0.16 -0.01 0.00 0.00 0.00 0.00 60.65 60.95 1ixd s ILE 36 Cb -0.11 -3.11 -0.00 0.00 0.01 0.00 0.00 42.46 39.25 1ixd s ILE 36 CO 0.04 0.03 -0.02 0.54 0.00 0.00 0.00 174.94 175.53 1ixd n ARG 37 N 2.30 0.02 -4.87 2.79 5.12 0.29 -1.11 116.66 121.21 1ixd n ARG 37 Ca 0.08 0.01 -0.27 0.00 -1.93 0.00 0.00 57.85 55.74 1ixd n ARG 37 Cb 0.38 -0.39 -0.17 0.00 -1.16 0.00 0.00 32.46 31.13 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 -1.71 1.89 -0.28 -1.55 -0.00 -1.24 -4.71 118.94 111.34 1ixd s TRP 38 Ca -0.01 -0.68 0.02 0.00 -0.00 0.00 0.00 56.10 55.43 1ixd s TRP 38 Cb 0.00 -1.30 0.08 0.00 -0.00 0.00 0.00 33.47 32.25 1ixd s TRP 38 CO 0.02 -0.29 -0.03 0.42 -0.00 0.00 0.00 176.95 177.08 1ixd s ILE 39 N 0.36 1.91 0.00 5.86 1.01 -1.26 0.67 121.20 129.76 1ixd s ILE 39 Ca -0.12 -1.72 0.00 0.00 0.00 0.00 0.00 60.65 58.80 1ixd s ILE 39 Cb -0.15 -2.22 0.00 0.00 0.01 0.00 0.00 42.46 40.10 1ixd s ILE 39 CO 0.05 -0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.31 1ixd n GLY 40 N 4.48 1.61 2.93 6.18 0.00 -1.17 -4.92 105.19 114.30 1ixd n GLY 40 Ca -0.07 -0.94 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.81 1.67 0.92 1.61 -0.21 -1.26 -1.27 119.66 119.30 1ixd s GLN 41 Ca 0.00 -0.62 -0.11 0.00 0.02 0.00 0.00 55.36 54.64 1ixd s GLN 41 Cb 0.00 -2.14 0.11 0.00 1.00 0.00 0.00 33.01 31.97 1ixd s GLN 41 CO 0.00 -0.42 0.90 -2.30 -2.12 0.00 0.00 175.29 171.35 1ixd n PRO 42 N 4.81 -0.36 -2.16 2.91 -0.02 -1.26 -4.84 135.00 134.09 1ixd n PRO 42 Ca -0.13 -0.04 -0.30 0.00 -2.02 0.00 0.00 63.50 61.01 1ixd n PRO 42 Cb 0.47 -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 -4.25 2.77 0.00 0.52 0.04 -1.26 -3.34 135.00 129.47 1ixd s PRO 43 Ca 0.64 -0.68 0.00 0.00 0.04 0.00 0.00 61.00 61.00 1ixd s PRO 43 Cb -0.23 -5.17 0.00 0.00 0.04 0.00 0.00 34.50 29.14 1ixd s PRO 43 CO 0.61 -3.27 0.00 0.41 0.04 0.00 0.00 177.00 174.79 1ixd n GLY 44 N 6.57 1.47 3.05 0.56 0.00 -1.26 -5.10 105.19 110.49 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 2.96 -0.45 0.99 2.34 -1.21 -5.08 118.68 118.23 1ixd s LEU 45 Ca 0.00 -1.18 -0.28 0.00 0.06 0.00 0.00 54.13 52.73 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 1.54 0.21 -1.06 0.00 0.00 176.35 176.88 1ixd s ASN 46 N 1.21 6.09 -0.30 1.48 3.84 -1.26 -4.07 114.94 121.93 1ixd s ASN 46 Ca -0.05 0.76 -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 -1.65 0.88 -1.83 -2.79 0.00 0.00 177.10 171.65 1ixd s GLU 47 N 5.42 0.39 -0.53 0.43 -1.05 -1.26 -5.09 118.70 117.01 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 34.03 1ixd s GLU 47 CO 0.30 -0.13 2.21 0.08 0.95 0.00 0.00 175.26 178.67 1ixd s VAL 48 N 2.48 3.13 -0.29 1.83 1.01 -1.26 -4.20 120.40 123.10 1ixd s VAL 48 Ca -0.04 0.08 -0.07 0.00 0.00 0.00 0.00 61.98 61.94 1ixd s VAL 48 Cb -0.08 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1ixd s VAL 48 CO -0.18 -0.34 0.09 -0.76 0.00 0.00 0.00 175.10 173.91 1ixd s LEU 49 N 11.07 3.83 -0.35 3.92 1.43 -0.40 0.87 118.68 139.04 1ixd s LEU 49 Ca 0.87 -0.62 -0.20 0.00 -1.03 0.00 0.00 54.13 53.15 1ixd s LEU 49 Cb -0.16 -1.90 -0.00 0.00 0.03 0.00 0.00 46.19 44.16 1ixd s LEU 49 CO 0.24 -0.17 0.59 0.00 0.23 0.00 0.00 176.35 177.24 1ixd s ALA 50 N 1.53 3.47 -0.54 4.21 0.00 0.96 -3.02 121.76 128.37 1ixd s ALA 50 Ca 0.03 -0.90 -0.27 0.00 0.00 0.00 0.00 51.96 50.82 1ixd s ALA 50 Cb -0.17 -3.11 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 1ixd s ALA 50 CO 0.03 -1.28 1.71 0.20 0.00 0.00 0.00 175.76 176.42 1ixd s GLY 51 N 1.77 0.53 0.11 0.00 0.00 0.21 -2.91 107.32 107.04 1ixd s GLY 51 Ca 0.22 -0.48 -0.16 0.00 0.00 0.00 0.00 44.72 44.30 1ixd s GLY 51 CO 0.14 3.20 0.55 1.08 0.00 0.00 0.00 173.10 178.07 1ixd s LEU 52 N 7.70 4.41 -0.33 0.66 1.43 -0.79 0.11 118.68 131.87 1ixd s LEU 52 Ca 0.65 1.14 -0.04 0.00 -1.03 0.00 0.00 54.13 54.85 1ixd s LEU 52 Cb -0.14 -3.10 0.05 0.00 0.03 0.00 0.00 46.19 43.03 1ixd s LEU 52 CO 0.25 0.18 0.07 -0.70 0.23 0.00 0.00 176.35 176.38 1ixd s GLU 53 N -1.60 2.49 0.24 1.70 2.12 -0.48 0.34 118.70 123.50 1ixd s GLU 53 Ca 0.34 -1.28 -0.30 0.00 0.36 0.00 0.00 54.97 54.09 1ixd s GLU 53 Cb -0.17 -3.36 -0.10 0.00 0.26 0.00 0.00 34.13 30.76 1ixd s GLU 53 CO 0.19 -0.69 1.42 -0.51 -0.54 0.00 0.00 175.26 175.12 1ixd s LEU 54 N 1.32 4.39 0.34 2.70 1.43 -1.06 -2.80 118.68 125.00 1ixd s LEU 54 Ca -0.02 2.62 0.06 0.00 -1.03 0.00 0.00 54.13 55.76 1ixd s LEU 54 Cb -0.20 -3.62 0.62 0.00 0.03 0.00 0.00 46.19 43.02 1ixd s LEU 54 CO 0.01 -0.67 1.84 -0.33 0.23 0.00 0.00 176.35 177.43 1ixd h GLU 55 N 5.08 0.37 -6.07 1.70 5.08 -1.89 -3.44 114.58 115.41 1ixd h GLU 55 Ca -0.46 -0.10 -0.58 0.00 -1.00 0.00 0.00 59.36 57.22 1ixd h GLU 55 Cb 1.22 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 1ixd h GLU 55 CO 0.78 0.52 -0.40 -0.51 -1.00 0.00 0.00 179.01 178.39 1ixd s ASP 56 N -6.82 6.40 -0.56 1.42 1.01 -1.26 -5.06 116.67 111.80 1ixd s ASP 56 Ca -0.06 0.39 -0.23 0.00 0.71 0.00 0.00 52.55 53.35 1ixd s ASP 56 Cb 0.15 -2.01 0.05 0.00 1.01 0.00 0.00 42.92 42.12 1ixd s ASP 56 CO 0.76 0.07 0.90 -1.61 0.21 0.00 0.00 175.17 175.50 1ixd s GLU 57 N -2.81 3.26 -0.24 8.23 2.02 -1.26 -4.67 118.70 123.23 1ixd s GLU 57 Ca 0.38 -0.46 -0.07 0.00 0.02 0.00 0.00 54.97 54.83 1ixd s GLU 57 Cb -0.12 -4.09 -0.03 0.00 0.10 0.00 0.00 34.13 29.99 1ixd s GLU 57 CO 0.27 -1.50 0.07 0.00 0.02 0.00 0.00 175.26 174.12 1ixd n ALA 59 N 4.74 2.53 0.00 0.00 0.00 -1.26 -3.01 120.51 123.51 1ixd n ALA 59 Ca -0.16 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1ixd n ALA 59 Cb 0.52 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.51 1ixd n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ixd n GLY 60 N 2.01 1.02 3.91 0.00 0.00 -1.26 -5.10 105.19 105.77 1ixd n GLY 60 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.64 0.00 -1.36 0.00 -2.24 -1.25 -4.40 114.28 101.39 1ixd n THR 62 Ca 0.17 -1.23 -0.23 0.00 -2.27 0.00 0.00 64.05 60.49 1ixd n THR 62 Cb 0.59 -0.22 0.15 0.00 -2.10 0.00 0.00 70.33 68.75 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 -1.88 4.57 -0.03 3.42 5.68 -1.26 -2.25 116.55 124.80 1ixd n ASP 63 Ca -0.02 -3.71 0.00 0.00 -0.50 0.00 0.00 54.79 50.57 1ixd n ASP 63 Cb 0.35 -0.80 0.00 0.00 -1.14 0.00 0.00 41.12 39.53 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 -1.06 0.99 2.92 6.12 0.00 -1.26 -3.35 105.19 109.55 1ixd n GLY 64 Ca 0.54 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.04 1.13 -0.54 2.61 -4.23 -1.26 -3.44 115.64 107.87 1ixd s THR 65 Ca 0.00 -0.42 -0.17 0.00 -1.18 0.00 0.00 61.69 59.92 1ixd s THR 65 Cb 0.00 -1.17 0.11 0.00 1.34 0.00 0.00 72.50 72.78 1ixd s THR 65 CO 0.00 0.33 0.55 0.12 -0.54 0.00 0.00 174.62 175.08 1ixd s PHE 66 N 1.66 3.16 -1.77 3.99 5.36 -0.87 -4.38 117.98 125.13 1ixd s PHE 66 Ca 0.04 -1.07 0.00 0.00 -0.96 0.00 0.00 56.93 54.94 1ixd s PHE 66 Cb -0.13 -3.73 0.00 0.00 -0.34 0.00 0.00 43.02 38.82 1ixd s PHE 66 CO -0.08 -1.06 0.00 0.54 -1.46 0.00 0.00 175.22 173.15 1ixd n ARG 67 N 5.62 -1.71 0.00 10.12 1.74 -1.26 -1.07 116.66 130.11 1ixd n ARG 67 Ca -0.12 1.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.96 1ixd n ARG 67 Cb 0.42 -5.64 0.00 0.00 -1.02 0.00 0.00 32.46 26.22 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 -0.94 3.46 3.47 -0.13 0.00 -1.26 -5.01 105.19 104.77 1ixd n GLY 68 Ca -0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.93 4.31 -0.05 2.61 2.01 -0.23 -5.00 115.64 116.36 1ixd s THR 69 Ca 0.00 -0.58 -0.30 0.00 0.31 0.00 0.00 61.69 61.12 1ixd s THR 69 Cb 0.00 -4.77 -0.04 0.00 0.01 0.00 0.00 72.50 67.71 1ixd s THR 69 CO 0.00 -1.56 1.32 -0.60 -0.69 0.00 0.00 174.62 173.10 1ixd s ARG 70 N 4.03 4.29 -0.23 4.92 3.52 -1.26 -2.06 118.95 132.16 1ixd s ARG 70 Ca 0.28 1.82 -0.02 0.00 -0.13 0.00 0.00 55.73 57.68 1ixd s ARG 70 Cb -0.12 -3.63 -0.14 0.00 -1.56 0.00 0.00 34.95 29.51 1ixd s ARG 70 CO 0.05 -0.57 -0.23 0.66 -0.81 0.00 0.00 175.30 174.39 1ixd n TYR 71 N 5.66 0.00 -4.27 5.12 4.01 -1.22 -4.99 117.16 121.46 1ixd n TYR 71 Ca 0.13 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.72 1ixd n TYR 71 Cb 0.45 -0.87 -0.10 0.00 -0.31 0.00 0.00 39.34 38.51 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 -2.45 1.35 -0.37 -0.72 -0.71 -1.26 -5.00 117.98 108.82 1ixd s PHE 72 Ca -0.31 -1.18 -0.09 0.00 -1.04 0.00 0.00 56.93 54.31 1ixd s PHE 72 Cb 0.09 -0.76 0.04 0.00 -1.21 0.00 0.00 43.02 41.18 1ixd s PHE 72 CO 0.49 -0.37 0.17 0.95 -1.34 0.00 0.00 175.22 175.13 1ixd s THR 73 N -3.82 4.18 0.35 -4.49 -4.23 -1.26 -4.67 115.64 101.70 1ixd s THR 73 Ca 0.34 -1.08 0.03 0.00 -1.18 0.00 0.00 61.69 59.80 1ixd s THR 73 Cb 0.07 -3.39 -0.05 0.00 1.34 0.00 0.00 72.50 70.47 1ixd s THR 73 CO 0.10 -0.27 0.09 0.00 -0.54 0.00 0.00 174.62 174.01 1ixd s ALA 75 N -3.34 -0.50 0.14 0.00 0.00 -1.26 -4.69 121.76 112.11 1ixd s ALA 75 Ca 0.32 -0.30 -0.30 0.00 0.00 0.00 0.00 51.96 51.67 1ixd s ALA 75 Cb 0.06 -3.17 -0.06 0.00 0.00 0.00 0.00 23.12 19.94 1ixd s ALA 75 CO 0.15 -3.95 0.97 -0.51 0.00 0.00 0.00 175.76 172.42 1ixd s LEU 76 N -7.29 4.53 -1.15 0.00 1.43 -1.26 -3.76 118.68 111.17 1ixd s LEU 76 Ca 0.68 1.84 -0.02 0.00 -1.03 0.00 0.00 54.13 55.61 1ixd s LEU 76 Cb -0.23 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.40 1ixd s LEU 76 CO 0.63 -0.04 0.98 0.29 0.23 0.00 0.00 176.35 178.44 1ixd n LYS 77 N 2.52 -6.50 -2.43 1.70 4.76 -0.95 -4.82 118.16 112.45 1ixd n LYS 77 Ca 0.02 0.78 -0.02 0.00 -2.87 0.00 0.00 58.31 56.22 1ixd n LYS 77 Cb 0.49 -5.63 0.08 0.00 -1.84 0.00 0.00 35.03 28.13 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 -4.12 1.20 -3.48 1.97 5.02 -0.98 -2.04 118.16 115.74 1ixd n LYS 78 Ca -0.19 -1.81 -0.19 0.00 -2.02 0.00 0.00 58.31 54.10 1ixd n LYS 78 Cb 0.63 -0.10 -0.12 0.00 -0.02 0.00 0.00 35.03 35.41 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 -0.89 -0.21 -0.25 7.82 0.00 -1.13 -2.57 121.76 124.51 1ixd s ALA 79 Ca 0.14 -0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.09 1ixd s ALA 79 Cb 0.35 -1.44 0.06 0.00 0.00 0.00 0.00 23.12 22.10 1ixd s ALA 79 CO -0.09 -1.37 -0.06 -1.17 0.00 0.00 0.00 175.76 173.07 1ixd s LEU 80 N 2.31 3.04 0.23 0.00 2.96 0.15 -3.79 118.68 123.58 1ixd s LEU 80 Ca 0.08 -1.35 -0.30 0.00 -0.22 0.00 0.00 54.13 52.34 1ixd s LEU 80 Cb -0.15 -1.33 -0.09 0.00 0.50 0.00 0.00 46.19 45.12 1ixd s LEU 80 CO -0.19 -0.24 0.94 -0.36 -1.32 0.00 0.00 176.35 175.17 1ixd s PHE 81 N 1.26 3.97 0.20 5.38 0.40 -1.26 -1.88 117.98 126.06 1ixd s PHE 81 Ca -0.05 1.90 -0.13 0.00 -0.60 0.00 0.00 56.93 58.06 1ixd s PHE 81 Cb -0.19 -2.98 0.00 0.00 0.51 0.00 0.00 43.02 40.36 1ixd s PHE 81 CO -0.07 0.44 0.42 0.14 0.70 0.00 0.00 175.22 176.85 1ixd s VAL 82 N -1.08 0.03 -0.00 -0.44 -7.23 -1.15 -4.94 120.40 105.59 1ixd s VAL 82 Ca 0.41 -1.24 -0.30 0.00 -1.81 0.00 0.00 61.98 59.04 1ixd s VAL 82 Cb -0.26 -1.92 -0.07 0.00 0.56 0.00 0.00 36.38 34.70 1ixd s VAL 82 CO 0.32 -0.13 1.66 -0.54 -0.31 0.00 0.00 175.10 176.10 1ixd s LYS 83 N -3.96 4.19 0.43 4.82 1.02 -1.26 -0.03 119.74 124.95 1ixd s LYS 83 Ca 0.17 2.25 0.10 0.00 0.02 0.00 0.00 55.97 58.52 1ixd s LYS 83 Cb 0.01 -3.85 0.96 0.00 -0.52 0.00 0.00 37.83 34.43 1ixd s LYS 83 CO 0.03 -0.80 2.06 1.25 -0.92 0.00 0.00 175.35 176.96 1ixd h LEU 84 N 9.61 0.37 -1.86 3.17 5.85 0.15 -0.52 115.31 132.08 1ixd h LEU 84 Ca -0.41 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.27 1ixd h LEU 84 Cb 1.19 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 1ixd h LEU 84 CO 0.94 0.26 -0.13 0.07 -0.34 0.00 0.00 178.44 179.24 1ixd h LYS 85 N 0.44 0.00 -0.99 1.25 -0.00 -1.90 -1.93 116.57 113.43 1ixd h LYS 85 Ca 0.16 0.00 -0.46 0.00 -0.00 0.00 0.00 60.65 60.34 1ixd h LYS 85 Cb 0.09 0.00 -0.28 0.00 -0.00 0.00 0.00 32.23 32.04 1ixd h LYS 85 CO -0.04 0.13 0.59 0.43 -0.00 0.00 0.00 179.45 180.57 1ixd n SER 86 N -3.90 3.73 -4.50 7.07 7.64 -0.21 -4.93 113.62 118.52 1ixd n SER 86 Ca -0.02 -3.46 -0.29 0.00 1.01 0.00 0.00 58.87 56.11 1ixd n SER 86 Cb 0.23 -0.81 -0.11 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 -2.24 1.03 0.09 0.00 1.81 -0.66 -4.96 118.95 114.02 1ixd s ARG 88 Ca 0.19 -0.76 -0.35 0.00 -1.72 0.00 0.00 55.73 53.09 1ixd s ARG 88 Cb -0.10 -1.05 -0.14 0.00 -0.45 0.00 0.00 34.95 33.21 1ixd s ARG 88 CO 0.11 0.26 1.59 -2.30 -0.68 0.00 0.00 175.30 174.28 1ixd n PRO 89 N 1.97 1.95 -3.35 3.54 -0.02 -1.26 -0.96 135.00 136.86 1ixd n PRO 89 Ca -0.17 0.70 -0.45 0.00 -2.02 0.00 0.00 63.50 61.56 1ixd n PRO 89 Cb 0.54 -2.46 -0.06 0.00 -0.02 0.00 0.00 33.50 31.50 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 1.42 6.15 -0.32 2.55 2.15 -1.06 -4.74 116.67 122.82 1ixd s ASP 90 Ca 0.83 -1.59 0.07 0.00 0.43 0.00 0.00 52.55 52.29 1ixd s ASP 90 Cb -0.74 -2.19 0.65 0.00 -0.30 0.00 0.00 42.92 40.34 1ixd s ASP 90 CO 0.42 -0.76 1.74 -0.24 -0.17 0.00 0.00 175.17 176.16 1ixd n SER 91 N 5.22 4.32 0.21 -0.34 2.88 -1.26 -4.43 113.62 120.23 1ixd n SER 91 Ca -0.13 -3.19 0.05 0.00 -1.33 0.00 0.00 58.87 54.27 1ixd n SER 91 Cb 0.42 -0.75 0.47 0.00 -0.75 0.00 0.00 64.21 63.60 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 2.00 0.00 -0.31 -1.46 2.47 -1.98 -2.54 114.38 112.56 1ixd h ARG 92 Ca 0.33 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.92 1ixd h ARG 92 Cb 2.33 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 30.57 1ixd h ARG 92 CO 0.76 0.24 -0.07 1.19 0.56 0.00 0.00 179.97 182.65 1ixd n PHE 93 N -4.21 0.98 -2.35 3.04 3.01 -1.26 -5.02 117.46 111.64 1ixd n PHE 93 Ca -0.02 -1.43 -0.42 0.00 1.01 0.00 0.00 57.45 56.58 1ixd n PHE 93 Cb 0.29 -0.44 -0.03 0.00 -0.01 0.00 0.00 39.48 39.30 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 -3.15 3.46 -0.24 4.37 0.00 -0.96 -4.97 121.76 120.28 1ixd s ALA 94 Ca 0.43 0.90 -0.29 0.00 0.00 0.00 0.00 51.96 53.01 1ixd s ALA 94 Cb 0.39 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 20.01 1ixd s ALA 94 CO 0.01 -0.53 1.44 -1.12 0.00 0.00 0.00 175.76 175.57 1ixd s SER 95 N 1.15 6.59 -0.44 0.00 0.01 -1.26 -4.94 113.70 114.81 1ixd s SER 95 Ca 0.60 1.50 0.05 0.00 1.31 0.00 0.00 55.95 59.41 1ixd s SER 95 Cb -0.31 -2.54 0.17 0.00 0.21 0.00 0.00 66.02 63.56 1ixd s SER 95 CO 0.29 -1.10 0.50 -0.76 0.41 0.00 0.00 173.24 172.58 1ixd s LEU 96 N 4.57 -0.06 0.13 2.44 1.43 -1.26 -5.14 118.68 120.79 1ixd s LEU 96 Ca 0.63 -2.20 0.09 0.00 -1.03 0.00 0.00 54.13 51.62 1ixd s LEU 96 Cb -0.22 0.72 -0.04 0.00 0.03 0.00 0.00 46.19 46.68 1ixd s LEU 96 CO 0.25 -0.14 -0.21 -1.10 0.23 0.00 0.00 176.35 175.37 1ixd s GLN 97 N 0.70 1.23 1.10 1.70 -0.21 -1.26 -5.15 119.66 117.77 1ixd s GLN 97 Ca 0.28 -1.28 -0.16 0.00 0.02 0.00 0.00 55.36 54.22 1ixd s GLN 97 Cb -0.02 -1.48 0.24 0.00 1.00 0.00 0.00 33.01 32.75 1ixd s GLN 97 CO -0.10 0.33 1.10 -1.25 -2.12 0.00 0.00 175.29 173.25 1ixd s PRO 98 N -2.21 -0.42 -0.17 2.91 0.04 -1.26 -5.06 135.00 128.83 1ixd s PRO 98 Ca 0.11 0.21 0.01 0.00 0.04 0.00 0.00 61.00 61.36 1ixd s PRO 98 Cb -0.09 -1.67 0.02 0.00 0.04 0.00 0.00 34.50 32.81 1ixd s PRO 98 CO 0.05 -3.23 -0.20 -1.12 0.04 0.00 0.00 177.00 172.55 1ixd s SER 99 N -3.69 3.08 0.00 6.66 0.01 -1.26 -5.09 113.70 113.42 1ixd s SER 99 Ca 0.68 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 57.31 1ixd s SER 99 Cb -0.14 -1.44 0.00 0.00 0.21 0.00 0.00 66.02 64.64 1ixd s SER 99 CO 0.57 0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.83 1ixd n GLY 100 N 4.59 1.86 3.49 3.44 0.00 -1.26 -5.09 105.19 112.22 1ixd n GLY 100 Ca -0.21 -0.93 -0.45 0.00 0.00 0.00 0.00 46.02 44.43 1ixd n GLY 100 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ixd n PRO 101 N -0.69 0.98 -3.49 1.61 -0.02 -1.26 -4.89 135.00 127.24 1ixd n PRO 101 Ca 0.00 0.19 -0.13 0.00 -2.02 0.00 0.00 63.50 61.54 1ixd n PRO 101 Cb 0.00 -2.62 -0.03 0.00 -0.02 0.00 0.00 33.50 30.83 1ixd n PRO 101 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ixd s SER 102 N 8.86 -0.52 -0.30 2.55 0.15 -1.26 -5.16 113.70 118.03 1ixd s SER 102 Ca 1.10 0.09 -0.11 0.00 0.70 0.00 0.00 55.95 57.73 1ixd s SER 102 Cb -0.71 0.56 0.17 0.00 -1.71 0.00 0.00 66.02 64.33 1ixd s SER 102 CO 0.42 -0.86 0.92 -0.94 1.20 0.00 0.00 173.24 173.99 1ixd s SER 103 N -2.39 -0.72 0.00 5.45 1.04 -1.26 -5.24 113.70 110.58 1ixd s SER 103 Ca -0.02 0.62 0.00 0.00 0.48 0.00 0.00 55.95 57.03 1ixd s SER 103 Cb -0.00 1.67 0.00 0.00 0.10 0.00 0.00 66.02 67.78 1ixd s SER 103 CO -0.08 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.62