#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 -0.67 -0.45 1.61 0.15 -1.26 -5.06 113.70 108.03 1ixd s SER 2 Ca 0.00 -1.93 0.06 0.00 0.70 0.00 0.00 55.95 54.77 1ixd s SER 2 Cb 0.00 1.31 0.19 0.00 -1.71 0.00 0.00 66.02 65.81 1ixd s SER 2 CO 0.00 -0.10 0.52 -0.24 1.20 0.00 0.00 173.24 174.62 1ixd n SER 3 N 3.14 -1.50 -4.01 5.45 2.88 -1.26 -5.12 113.62 113.19 1ixd n SER 3 Ca 0.20 -2.65 -0.20 0.00 -1.33 0.00 0.00 58.87 54.89 1ixd n SER 3 Cb 0.54 0.33 -0.15 0.00 -0.75 0.00 0.00 64.21 64.17 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 0.01 0.49 -0.05 0.46 0.00 -1.26 -5.14 107.32 101.83 1ixd s GLY 4 Ca 0.32 -0.36 0.01 0.00 0.00 0.00 0.00 44.72 44.69 1ixd s GLY 4 CO -0.15 -0.21 -0.06 -0.56 0.00 0.00 0.00 173.10 172.13 1ixd s SER 5 N -0.01 1.17 0.18 1.64 0.01 -1.26 -5.03 113.70 110.40 1ixd s SER 5 Ca 0.00 -0.16 -0.10 0.00 1.31 0.00 0.00 55.95 57.00 1ixd s SER 5 Cb -0.06 -0.53 0.07 0.00 0.21 0.00 0.00 66.02 65.71 1ixd s SER 5 CO 0.00 -0.05 1.65 -1.28 0.41 0.00 0.00 173.24 173.98 1ixd h SER 6 N 7.23 1.03 0.00 2.44 0.87 -2.09 -3.48 113.55 119.55 1ixd h SER 6 Ca -0.35 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 59.92 1ixd h SER 6 Cb 1.16 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1ixd h SER 6 CO 0.46 1.06 0.00 0.61 -0.53 0.00 0.00 176.83 178.43 1ixd n GLY 7 N -0.48 0.77 0.09 5.77 0.00 -1.26 -5.05 105.19 105.03 1ixd n GLY 7 Ca 0.03 -0.70 -0.07 0.00 0.00 0.00 0.00 46.02 45.28 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 0.53 -3.18 0.99 4.77 -1.26 -5.00 117.00 113.85 1ixd n LEU 8 Ca 0.00 0.25 -0.20 0.00 -0.03 0.00 0.00 56.01 56.03 1ixd n LEU 8 Cb 0.00 0.26 0.07 0.00 -2.33 0.00 0.00 43.42 41.42 1ixd n LEU 8 CO 0.00 0.37 0.20 0.00 -1.33 0.00 0.00 177.39 176.64 1ixd n ALA 9 N -2.59 -1.20 -3.35 -1.18 0.00 -1.26 -4.97 120.51 105.96 1ixd n ALA 9 Ca -0.21 0.31 -0.26 0.00 0.00 0.00 0.00 53.44 53.29 1ixd n ALA 9 Cb 1.04 -4.61 -0.08 0.00 0.00 0.00 0.00 19.45 15.80 1ixd n ALA 9 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1ixd n MET 10 N -4.35 1.23 -0.10 0.00 2.81 -1.26 -4.87 117.12 110.57 1ixd n MET 10 Ca -0.02 -3.72 -0.07 0.00 -1.81 0.00 0.00 57.70 52.07 1ixd n MET 10 Cb 0.56 -1.66 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 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 4.42 0.34 -0.12 0.03 0.11 -1.89 -1.93 132.00 132.96 1ixd h PRO 11 Ca 0.14 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.27 1ixd h PRO 11 Cb 0.81 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.84 1ixd h PRO 11 CO 0.57 0.22 0.26 -1.35 -0.21 0.00 0.00 178.00 177.50 1ixd h PRO 12 N 0.35 0.00 0.00 1.05 0.11 -1.93 -3.45 132.00 128.12 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 -1.29 0.57 1.60 -0.55 0.00 -0.73 -4.94 105.19 99.86 1ixd n GLY 13 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 1.71 0.07 0.00 1.61 3.02 -1.26 -5.12 115.26 115.28 1ixd n ASN 14 Ca 0.00 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1ixd n ASN 14 Cb 0.33 0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 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 -2.70 0.00 0.00 6.41 7.64 -1.26 -5.08 113.62 118.63 1ixd n SER 15 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ixd n SER 15 Cb 0.00 0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 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 -1.51 0.00 -2.71 1.43 8.25 -1.26 -4.55 115.22 114.87 1ixd n HIS 16 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.41 1ixd n HIS 16 Cb 0.00 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.15 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 2.44 -1.07 3.30 -1.41 0.00 -1.26 -4.74 105.19 102.46 1ixd n GLY 17 Ca 0.00 0.78 -0.45 0.00 0.00 0.00 0.00 46.02 46.35 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 0.38 6.26 0.30 0.99 1.43 -1.26 -4.93 118.68 121.85 1ixd s LEU 18 Ca 0.28 -2.08 0.05 0.00 -1.03 0.00 0.00 54.13 51.35 1ixd s LEU 18 Cb 0.13 -2.18 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 1ixd s LEU 18 CO -0.11 -0.75 0.22 -1.83 0.23 0.00 0.00 176.35 174.11 1ixd s GLU 19 N 1.14 1.63 0.19 1.70 -1.05 -1.26 -5.04 118.70 116.01 1ixd s GLU 19 Ca 0.08 -1.94 -0.32 0.00 -0.15 0.00 0.00 54.97 52.64 1ixd s GLU 19 Cb -0.24 0.20 -0.11 0.00 -0.44 0.00 0.00 34.13 33.54 1ixd s GLU 19 CO -0.01 -0.56 1.74 0.08 0.95 0.00 0.00 175.26 177.46 1ixd s VAL 20 N -3.60 2.17 0.00 1.83 1.01 -1.26 -2.07 120.40 118.47 1ixd s VAL 20 Ca 0.39 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1ixd s VAL 20 Cb 0.04 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.39 1ixd s VAL 20 CO 0.22 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1ixd n GLY 21 N 4.03 2.41 3.83 4.51 0.00 -0.94 -5.01 105.19 114.02 1ixd n GLY 21 Ca 0.16 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 6.94 0.35 1.61 0.01 -0.88 -4.83 113.70 117.42 1ixd s SER 22 Ca 0.00 1.28 -0.26 0.00 1.31 0.00 0.00 55.95 58.27 1ixd s SER 22 Cb 0.00 -2.37 -0.09 0.00 0.21 0.00 0.00 66.02 63.77 1ixd s SER 22 CO 0.00 0.03 1.07 -0.76 0.41 0.00 0.00 173.24 173.98 1ixd s LEU 23 N -2.11 4.30 -0.06 2.44 1.43 -1.26 -1.66 118.68 121.76 1ixd s LEU 23 Ca 0.43 2.12 -0.10 0.00 -1.03 0.00 0.00 54.13 55.55 1ixd s LEU 23 Cb -0.15 -3.97 0.02 0.00 0.03 0.00 0.00 46.19 42.12 1ixd s LEU 23 CO 0.20 -0.36 0.25 0.00 0.23 0.00 0.00 176.35 176.67 1ixd s ALA 24 N -1.46 -0.62 0.03 4.21 0.00 -1.23 -2.69 121.76 120.00 1ixd s ALA 24 Ca 0.53 0.45 0.08 0.00 0.00 0.00 0.00 51.96 53.02 1ixd s ALA 24 Cb -0.26 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 1ixd s ALA 24 CO 0.33 -0.18 -0.23 -2.00 0.00 0.00 0.00 175.76 173.68 1ixd s GLU 25 N -0.57 1.95 0.23 0.00 2.12 0.23 -4.16 118.70 118.50 1ixd s GLU 25 Ca -0.07 -1.04 0.07 0.00 0.36 0.00 0.00 54.97 54.30 1ixd s GLU 25 Cb -0.04 -2.07 -0.04 0.00 0.26 0.00 0.00 34.13 32.24 1ixd s GLU 25 CO 0.02 0.53 0.15 0.08 -0.54 0.00 0.00 175.26 175.50 1ixd s VAL 26 N -0.83 4.32 -0.54 3.70 1.01 -1.26 0.29 120.40 127.09 1ixd s VAL 26 Ca 0.13 -1.37 -0.01 0.00 0.00 0.00 0.00 61.98 60.73 1ixd s VAL 26 Cb -0.10 -3.29 0.43 0.00 0.00 0.00 0.00 36.38 33.42 1ixd s VAL 26 CO 0.03 -0.28 1.99 1.17 0.00 0.00 0.00 175.10 178.01 1ixd n LYS 27 N -0.87 2.39 -1.39 2.72 4.81 -1.25 -4.87 118.16 119.70 1ixd n LYS 27 Ca -0.08 -2.81 -0.24 0.00 -0.87 0.00 0.00 58.31 54.31 1ixd n LYS 27 Cb 0.57 -2.10 0.18 0.00 0.02 0.00 0.00 35.03 33.70 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 -0.67 -1.51 0.42 1.64 2.13 -1.26 -5.00 120.64 116.39 1ixd n GLU 28 Ca 0.54 -1.63 -0.18 0.00 0.66 0.00 0.00 57.16 56.55 1ixd n GLU 28 Cb 0.83 -1.19 -0.09 0.00 0.27 0.00 0.00 31.44 31.26 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 -1.70 -0.92 -3.39 4.31 2.35 -2.05 -3.40 115.58 110.78 1ixd h ASN 29 Ca -0.35 0.02 -0.56 0.00 -0.55 0.00 0.00 56.30 54.86 1ixd h ASN 29 Cb 0.99 0.24 -0.06 0.00 0.05 0.00 0.00 38.32 39.54 1ixd h ASN 29 CO 0.24 -0.58 1.02 -2.16 -1.65 0.00 0.00 177.43 174.30 1ixd s PRO 30 N -5.42 3.60 -1.13 0.81 0.04 -1.26 -4.94 135.00 126.69 1ixd s PRO 30 Ca -0.17 0.75 -0.23 0.00 0.04 0.00 0.00 61.00 61.38 1ixd s PRO 30 Cb 0.02 -3.99 -0.10 0.00 0.04 0.00 0.00 34.50 30.47 1ixd s PRO 30 CO 0.53 -1.54 1.97 -1.25 0.04 0.00 0.00 177.00 176.74 1ixd s PRO 31 N 4.83 2.33 0.47 0.56 0.04 -1.26 -4.92 135.00 137.06 1ixd s PRO 31 Ca 0.56 -0.94 0.08 0.00 0.04 0.00 0.00 61.00 60.74 1ixd s PRO 31 Cb -0.11 -5.18 0.03 0.00 0.04 0.00 0.00 34.50 29.28 1ixd s PRO 31 CO 0.32 -4.09 0.62 -0.59 0.04 0.00 0.00 177.00 173.30 1ixd s PHE 32 N 11.66 2.32 -0.05 0.56 -0.12 -1.26 -5.13 117.98 125.96 1ixd s PHE 32 Ca 0.70 -0.53 -0.01 0.00 -0.05 0.00 0.00 56.93 57.05 1ixd s PHE 32 Cb -0.02 -2.29 0.03 0.00 -0.63 0.00 0.00 43.02 40.10 1ixd s PHE 32 CO 0.12 -0.63 0.00 0.71 -0.05 0.00 0.00 175.22 175.37 1ixd s TYR 33 N -2.47 0.51 0.00 3.49 2.02 -1.26 -4.73 117.35 114.91 1ixd s TYR 33 Ca 0.56 -0.07 0.00 0.00 -0.37 0.00 0.00 57.07 57.19 1ixd s TYR 33 Cb -0.08 -0.65 0.00 0.00 -0.40 0.00 0.00 41.96 40.83 1ixd s TYR 33 CO 0.34 -0.25 0.00 0.41 -1.57 0.00 0.00 175.55 174.48 1ixd n GLY 34 N 4.80 4.74 3.09 0.71 0.00 -1.26 -2.95 105.19 114.33 1ixd n GLY 34 Ca -0.13 -1.12 -0.11 0.00 0.00 0.00 0.00 46.02 44.66 1ixd n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ixd s VAL 35 N -0.60 0.08 0.29 1.61 0.11 -1.18 -3.51 120.40 117.20 1ixd s VAL 35 Ca 0.00 -0.64 -0.29 0.00 -2.93 0.00 0.00 61.98 58.12 1ixd s VAL 35 Cb 0.00 -0.41 -0.10 0.00 -1.53 0.00 0.00 36.38 34.34 1ixd s VAL 35 CO 0.00 -0.35 1.41 -0.63 -3.33 0.00 0.00 175.10 172.20 1ixd s ILE 36 N -1.25 2.58 0.11 7.04 1.01 -0.67 -1.72 121.20 128.30 1ixd s ILE 36 Ca -0.13 0.53 0.00 0.00 0.00 0.00 0.00 60.65 61.04 1ixd s ILE 36 Cb -0.07 -3.34 0.00 0.00 0.01 0.00 0.00 42.46 39.06 1ixd s ILE 36 CO 0.01 0.10 0.00 0.54 0.00 0.00 0.00 174.94 175.60 1ixd n ARG 37 N 1.58 0.00 -4.69 2.79 5.12 0.29 -2.22 116.66 119.54 1ixd n ARG 37 Ca 0.04 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.71 1ixd n ARG 37 Cb 0.40 -0.46 -0.16 0.00 -1.16 0.00 0.00 32.46 31.09 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 1.49 -0.27 -1.55 -0.00 -1.24 -4.73 118.94 110.63 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 -1.03 0.08 0.00 -0.00 0.00 0.00 33.47 32.52 1ixd s TRP 38 CO 0.00 -0.17 -0.00 0.42 -0.00 0.00 0.00 176.95 177.20 1ixd s ILE 39 N 0.18 1.58 0.00 5.86 1.01 -1.26 0.72 121.20 129.29 1ixd s ILE 39 Ca -0.06 -1.50 0.00 0.00 0.00 0.00 0.00 60.65 59.09 1ixd s ILE 39 Cb -0.12 -1.97 0.00 0.00 0.01 0.00 0.00 42.46 40.38 1ixd s ILE 39 CO 0.02 -0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.25 1ixd n GLY 40 N 4.61 1.63 2.88 6.18 0.00 -1.18 -4.93 105.19 114.38 1ixd n GLY 40 Ca -0.07 -0.89 -0.28 0.00 0.00 0.00 0.00 46.02 44.78 1ixd n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ixd s GLN 41 N -1.40 1.39 0.92 1.61 -0.21 -1.26 -1.39 119.66 119.32 1ixd s GLN 41 Ca 0.00 -0.49 -0.11 0.00 0.02 0.00 0.00 55.36 54.78 1ixd s GLN 41 Cb 0.00 -1.97 0.11 0.00 1.00 0.00 0.00 33.01 32.15 1ixd s GLN 41 CO 0.00 -0.43 0.90 -2.30 -2.12 0.00 0.00 175.29 171.34 1ixd n PRO 42 N 4.89 -0.36 -2.17 2.91 -0.02 -1.26 -4.84 135.00 134.15 1ixd n PRO 42 Ca -0.12 -0.05 -0.30 0.00 -2.02 0.00 0.00 63.50 61.01 1ixd n PRO 42 Cb 0.48 -2.20 -0.05 0.00 -0.02 0.00 0.00 33.50 31.71 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 2.80 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 0.61 -3.24 0.00 0.41 0.04 0.00 0.00 177.00 174.82 1ixd n GLY 44 N 6.57 1.42 3.05 0.56 0.00 -1.26 -5.10 105.19 110.43 1ixd n GLY 44 Ca 0.40 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 46.05 1ixd n GLY 44 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ixd s LEU 45 N 0.00 3.01 -0.45 0.99 2.34 -1.21 -5.08 118.68 118.28 1ixd s LEU 45 Ca 0.00 -1.20 -0.28 0.00 0.06 0.00 0.00 54.13 52.71 1ixd s LEU 45 Cb 0.00 -1.46 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 1.20 6.09 -0.30 1.48 3.84 -1.26 -4.09 114.94 121.90 1ixd s ASN 46 Ca -0.06 0.73 -0.14 0.00 0.21 0.00 0.00 52.86 53.61 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 0.89 -1.83 -2.79 0.00 0.00 177.10 171.65 1ixd s GLU 47 N 5.43 0.39 -0.53 0.43 -1.05 -1.26 -5.10 118.70 117.01 1ixd s GLU 47 Ca 0.63 0.94 -0.26 0.00 -0.15 0.00 0.00 54.97 56.13 1ixd s GLU 47 Cb -0.14 0.53 -0.05 0.00 -0.44 0.00 0.00 34.13 34.02 1ixd s GLU 47 CO 0.30 -0.13 2.15 0.08 0.95 0.00 0.00 175.26 178.61 1ixd s VAL 48 N 2.47 3.17 -0.27 1.83 1.01 -1.26 -4.21 120.40 123.14 1ixd s VAL 48 Ca -0.04 0.11 -0.06 0.00 0.00 0.00 0.00 61.98 61.98 1ixd s VAL 48 Cb -0.07 -3.43 -0.00 0.00 0.00 0.00 0.00 36.38 32.87 1ixd s VAL 48 CO -0.18 -0.41 0.05 -0.76 0.00 0.00 0.00 175.10 173.81 1ixd s LEU 49 N 10.59 3.56 -0.35 3.92 1.43 -0.49 0.92 118.68 138.27 1ixd s LEU 49 Ca 0.84 -0.53 -0.19 0.00 -1.03 0.00 0.00 54.13 53.21 1ixd s LEU 49 Cb -0.16 -1.86 -0.00 0.00 0.03 0.00 0.00 46.19 44.20 1ixd s LEU 49 CO 0.24 -0.12 0.58 0.00 0.23 0.00 0.00 176.35 177.29 1ixd s ALA 50 N 1.52 3.47 -0.30 4.21 0.00 0.76 -3.08 121.76 128.34 1ixd s ALA 50 Ca 0.04 -0.91 -0.29 0.00 0.00 0.00 0.00 51.96 50.81 1ixd s ALA 50 Cb -0.16 -3.11 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 1ixd s ALA 50 CO 0.02 -1.28 1.66 0.20 0.00 0.00 0.00 175.76 176.36 1ixd s GLY 51 N 1.77 1.01 -0.19 0.00 0.00 0.22 -3.18 107.32 106.95 1ixd s GLY 51 Ca 0.22 0.27 -0.09 0.00 0.00 0.00 0.00 44.72 45.12 1ixd s GLY 51 CO 0.14 3.07 0.11 1.08 0.00 0.00 0.00 173.10 177.51 1ixd s LEU 52 N 5.96 4.12 -0.40 0.66 1.43 0.47 0.11 118.68 131.03 1ixd s LEU 52 Ca 0.73 0.20 -0.16 0.00 -1.03 0.00 0.00 54.13 53.87 1ixd s LEU 52 Cb -0.22 -2.06 0.01 0.00 0.03 0.00 0.00 46.19 43.96 1ixd s LEU 52 CO 0.32 0.18 0.39 -0.70 0.23 0.00 0.00 176.35 176.77 1ixd s GLU 53 N 0.34 3.19 0.13 1.70 2.12 -0.70 0.19 118.70 125.67 1ixd s GLU 53 Ca 0.07 -0.73 -0.30 0.00 0.36 0.00 0.00 54.97 54.37 1ixd s GLU 53 Cb -0.11 -3.93 -0.07 0.00 0.26 0.00 0.00 34.13 30.27 1ixd s GLU 53 CO -0.01 -0.75 1.26 -0.51 -0.54 0.00 0.00 175.26 174.71 1ixd s LEU 54 N 2.02 4.40 0.37 2.70 1.43 -1.15 -3.12 118.68 125.33 1ixd s LEU 54 Ca 0.11 2.21 0.08 0.00 -1.03 0.00 0.00 54.13 55.50 1ixd s LEU 54 Cb -0.17 -3.59 0.71 0.00 0.03 0.00 0.00 46.19 43.17 1ixd s LEU 54 CO 0.12 -0.49 1.89 -0.33 0.23 0.00 0.00 176.35 177.77 1ixd h GLU 55 N 6.11 0.30 -6.34 1.70 4.39 -1.88 -3.43 114.58 115.43 1ixd h GLU 55 Ca -0.43 -0.07 -0.54 0.00 0.34 0.00 0.00 59.36 58.65 1ixd h GLU 55 Cb 1.21 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.79 1ixd h GLU 55 CO 0.80 0.44 0.13 -0.51 -1.16 0.00 0.00 179.01 178.71 1ixd s ASP 56 N -6.85 7.23 -1.34 1.42 1.01 -1.26 -4.98 116.67 111.90 1ixd s ASP 56 Ca -0.06 1.47 -0.11 0.00 0.71 0.00 0.00 52.55 54.56 1ixd s ASP 56 Cb 0.15 -2.46 0.12 0.00 1.01 0.00 0.00 42.92 41.75 1ixd s ASP 56 CO 0.74 0.11 2.01 -0.62 0.21 0.00 0.00 175.17 177.62 1ixd n GLU 57 N 2.30 3.37 -2.75 8.23 1.02 -1.26 -4.69 120.64 126.87 1ixd n GLU 57 Ca -0.05 -3.20 -0.42 0.00 -0.02 0.00 0.00 57.16 53.46 1ixd n GLU 57 Cb 0.50 -3.04 -0.03 0.00 -0.02 0.00 0.00 31.44 28.85 1ixd n GLU 57 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ixd s ALA 59 N 2.94 2.72 0.00 0.00 0.00 -1.26 -3.38 121.76 122.78 1ixd s ALA 59 Ca 0.41 0.65 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1ixd s ALA 59 Cb -0.15 -4.07 0.00 0.00 0.00 0.00 0.00 23.12 18.89 1ixd s ALA 59 CO 0.08 -2.82 0.00 0.41 0.00 0.00 0.00 175.76 173.42 1ixd n GLY 60 N 5.71 0.53 3.73 0.00 0.00 -1.26 -5.15 105.19 108.75 1ixd n GLY 60 Ca 0.29 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.22 0.00 -1.48 0.00 -2.24 -1.17 -4.27 114.28 101.89 1ixd n THR 62 Ca 0.16 -1.35 -0.10 0.00 -2.27 0.00 0.00 64.05 60.49 1ixd n THR 62 Cb 0.56 -0.61 0.18 0.00 -2.10 0.00 0.00 70.33 68.36 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 -2.47 3.06 0.00 3.42 5.68 -1.26 -2.40 116.55 122.58 1ixd n ASP 63 Ca 0.10 -3.78 0.00 0.00 -0.50 0.00 0.00 54.79 50.61 1ixd n ASP 63 Cb 0.42 -0.65 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 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 -1.09 1.69 2.83 6.12 0.00 -1.26 -3.80 105.19 109.69 1ixd n GLY 64 Ca 0.38 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.00 0.71 -0.34 2.61 -4.23 -1.26 -3.30 115.64 107.82 1ixd s THR 65 Ca 0.00 -0.14 -0.04 0.00 -1.18 0.00 0.00 61.69 60.34 1ixd s THR 65 Cb 0.00 -0.83 0.06 0.00 1.34 0.00 0.00 72.50 73.08 1ixd s THR 65 CO 0.00 0.27 0.09 0.12 -0.54 0.00 0.00 174.62 174.57 1ixd s PHE 66 N 1.83 3.35 -1.37 3.99 5.36 -1.16 -4.62 117.98 125.37 1ixd s PHE 66 Ca 0.04 -1.87 -0.07 0.00 -0.96 0.00 0.00 56.93 54.07 1ixd s PHE 66 Cb -0.13 -2.49 0.01 0.00 -0.34 0.00 0.00 43.02 40.07 1ixd s PHE 66 CO -0.07 -0.83 0.99 0.54 -1.46 0.00 0.00 175.22 174.39 1ixd n ARG 67 N 4.68 -6.89 -2.05 10.12 1.74 -1.26 -1.85 116.66 121.15 1ixd n ARG 67 Ca -0.10 0.82 -0.10 0.00 -0.77 0.00 0.00 57.85 57.71 1ixd n ARG 67 Cb 0.43 -5.74 -0.01 0.00 -1.02 0.00 0.00 32.46 26.12 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 -1.84 0.14 2.78 -0.13 0.00 -1.26 -5.00 105.19 99.89 1ixd n GLY 68 Ca -0.02 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.48 1.48 0.24 2.61 2.01 -0.77 -5.10 115.64 113.62 1ixd s THR 69 Ca 0.00 -2.28 -0.31 0.00 0.31 0.00 0.00 61.69 59.41 1ixd s THR 69 Cb 0.00 -2.06 -0.12 0.00 0.01 0.00 0.00 72.50 70.33 1ixd s THR 69 CO 0.00 -0.79 1.66 -0.60 -0.69 0.00 0.00 174.62 174.20 1ixd s ARG 70 N 0.71 4.13 0.00 4.92 3.52 -1.26 -2.96 118.95 128.01 1ixd s ARG 70 Ca 0.15 2.58 0.00 0.00 -0.13 0.00 0.00 55.73 58.32 1ixd s ARG 70 Cb -0.22 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 30.11 1ixd s ARG 70 CO -0.08 -0.70 0.00 0.66 -0.81 0.00 0.00 175.30 174.38 1ixd n TYR 71 N 3.31 0.00 -3.86 5.12 4.01 -1.21 -5.00 117.16 119.54 1ixd n TYR 71 Ca 0.13 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.77 1ixd n TYR 71 Cb 0.36 0.01 -0.06 0.00 -0.31 0.00 0.00 39.34 39.34 1ixd n TYR 71 CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 1ixd s PHE 72 N -1.97 0.17 -0.28 -0.72 -0.71 -1.26 -4.98 117.98 108.24 1ixd s PHE 72 Ca 0.00 -0.54 -0.11 0.00 -1.04 0.00 0.00 56.93 55.24 1ixd s PHE 72 Cb 0.00 0.07 -0.05 0.00 -1.21 0.00 0.00 43.02 41.83 1ixd s PHE 72 CO 0.00 -0.72 0.18 -0.08 -1.34 0.00 0.00 175.22 173.26 1ixd s THR 73 N -3.91 5.23 0.22 -4.49 -1.32 -1.26 -4.55 115.64 105.57 1ixd s THR 73 Ca 0.11 0.14 -0.04 0.00 -1.21 0.00 0.00 61.69 60.69 1ixd s THR 73 Cb 0.03 -3.49 -0.03 0.00 -1.51 0.00 0.00 72.50 67.50 1ixd s THR 73 CO -0.04 0.26 0.24 0.00 -2.21 0.00 0.00 174.62 172.87 1ixd s ALA 75 N -4.07 2.15 0.38 0.00 0.00 -1.26 -4.69 121.76 114.26 1ixd s ALA 75 Ca 0.34 1.00 -0.26 0.00 0.00 0.00 0.00 51.96 53.04 1ixd s ALA 75 Cb 0.05 -3.51 -0.09 0.00 0.00 0.00 0.00 23.12 19.57 1ixd s ALA 75 CO 0.12 -1.87 1.25 -0.51 0.00 0.00 0.00 175.76 174.75 1ixd s LEU 76 N -4.98 4.27 -1.24 0.00 1.43 -1.26 -3.10 118.68 113.81 1ixd s LEU 76 Ca 0.77 2.54 -0.08 0.00 -1.03 0.00 0.00 54.13 56.34 1ixd s LEU 76 Cb -0.32 -3.87 0.01 0.00 0.03 0.00 0.00 46.19 42.03 1ixd s LEU 76 CO 0.44 -0.69 1.08 0.29 0.23 0.00 0.00 176.35 177.70 1ixd n LYS 77 N 0.31 -7.27 -2.67 1.70 4.76 -1.05 -4.90 118.16 109.04 1ixd n LYS 77 Ca 0.03 0.76 -0.01 0.00 -2.87 0.00 0.00 58.31 56.21 1ixd n LYS 77 Cb 0.44 -5.58 0.09 0.00 -1.84 0.00 0.00 35.03 28.14 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 -4.60 1.45 -3.57 1.97 5.02 -1.01 -3.14 118.16 114.27 1ixd n LYS 78 Ca 0.01 -2.13 -0.25 0.00 -2.02 0.00 0.00 58.31 53.91 1ixd n LYS 78 Cb 0.56 -0.39 -0.16 0.00 -0.02 0.00 0.00 35.03 35.02 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 -1.44 0.35 -0.18 7.82 0.00 -1.01 -2.91 121.76 124.38 1ixd s ALA 79 Ca 0.16 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.70 1ixd s ALA 79 Cb 0.39 -1.19 0.03 0.00 0.00 0.00 0.00 23.12 22.35 1ixd s ALA 79 CO -0.09 -1.32 -0.13 -1.17 0.00 0.00 0.00 175.76 173.06 1ixd s LEU 80 N 2.16 2.10 0.08 0.00 2.96 0.13 -3.03 118.68 123.09 1ixd s LEU 80 Ca 0.05 -0.75 -0.16 0.00 -0.22 0.00 0.00 54.13 53.05 1ixd s LEU 80 Cb -0.16 -1.25 -0.06 0.00 0.50 0.00 0.00 46.19 45.22 1ixd s LEU 80 CO -0.17 -0.10 0.52 -0.36 -1.32 0.00 0.00 176.35 174.91 1ixd s PHE 81 N 1.41 3.72 0.20 5.38 0.40 -1.26 -0.39 117.98 127.43 1ixd s PHE 81 Ca 0.01 1.12 -0.15 0.00 -0.60 0.00 0.00 56.93 57.31 1ixd s PHE 81 Cb -0.15 -2.39 0.01 0.00 0.51 0.00 0.00 43.02 41.00 1ixd s PHE 81 CO -0.09 0.55 0.46 0.14 0.70 0.00 0.00 175.22 176.98 1ixd s VAL 82 N -1.22 0.03 -0.01 -0.44 -7.23 -1.19 -4.95 120.40 105.39 1ixd s VAL 82 Ca 0.31 -1.07 -0.30 0.00 -1.81 0.00 0.00 61.98 59.10 1ixd s VAL 82 Cb -0.17 -1.79 -0.06 0.00 0.56 0.00 0.00 36.38 34.92 1ixd s VAL 82 CO 0.18 -0.14 1.62 -0.54 -0.31 0.00 0.00 175.10 175.91 1ixd s LYS 83 N -3.93 4.20 0.53 4.82 1.02 -1.26 -0.17 119.74 124.95 1ixd s LYS 83 Ca 0.14 2.20 0.18 0.00 0.02 0.00 0.00 55.97 58.51 1ixd s LYS 83 Cb -0.00 -3.80 1.32 0.00 -0.52 0.00 0.00 37.83 34.83 1ixd s LYS 83 CO 0.01 -0.77 2.14 1.25 -0.92 0.00 0.00 175.35 177.06 1ixd h LEU 84 N 9.41 0.00 -1.76 3.17 5.85 0.21 -0.72 115.31 131.48 1ixd h LEU 84 Ca -0.40 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.28 1ixd h LEU 84 Cb 1.19 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 1ixd h LEU 84 CO 0.94 0.00 -0.16 0.07 -0.34 0.00 0.00 178.44 178.95 1ixd h LYS 85 N 0.00 0.00 -0.94 1.25 2.10 -1.90 -2.17 116.57 114.91 1ixd h LYS 85 Ca 0.03 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 58.13 1ixd h LYS 85 Cb 0.12 0.00 -0.29 0.00 -0.90 0.00 0.00 32.23 31.15 1ixd h LYS 85 CO -0.00 0.16 0.64 0.43 -2.00 0.00 0.00 179.45 178.68 1ixd n SER 86 N -4.06 5.07 -4.76 7.07 7.64 -0.28 -4.96 113.62 119.34 1ixd n SER 86 Ca -0.02 -3.69 -0.22 0.00 1.01 0.00 0.00 58.87 55.94 1ixd n SER 86 Cb 0.24 -0.86 -0.06 0.00 -1.01 0.00 0.00 64.21 62.53 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 -3.85 0.20 -0.40 0.00 1.81 0.15 -4.95 118.95 111.91 1ixd s ARG 88 Ca 0.37 -0.27 -0.28 0.00 -1.72 0.00 0.00 55.73 53.83 1ixd s ARG 88 Cb -0.05 0.08 -0.01 0.00 -0.45 0.00 0.00 34.95 34.52 1ixd s ARG 88 CO 0.23 -0.04 1.74 -1.25 -0.68 0.00 0.00 175.30 175.31 1ixd s PRO 89 N -0.73 3.25 0.13 3.54 0.04 -1.26 0.76 135.00 140.72 1ixd s PRO 89 Ca -0.08 1.20 -0.30 0.00 0.04 0.00 0.00 61.00 61.85 1ixd s PRO 89 Cb -0.05 -4.20 -0.07 0.00 0.04 0.00 0.00 34.50 30.22 1ixd s PRO 89 CO -0.00 -1.97 1.24 0.34 0.04 0.00 0.00 177.00 176.65 1ixd s ASP 90 N 6.09 7.02 -0.21 6.66 2.15 -1.10 -4.84 116.67 132.44 1ixd s ASP 90 Ca 0.74 2.18 0.13 0.00 0.43 0.00 0.00 52.55 56.03 1ixd s ASP 90 Cb -0.19 -2.59 0.43 0.00 -0.30 0.00 0.00 42.92 40.27 1ixd s ASP 90 CO 0.31 -0.48 1.30 -0.24 -0.17 0.00 0.00 175.17 175.90 1ixd n SER 91 N 3.33 2.33 0.21 -0.34 2.88 -1.26 -4.69 113.62 116.08 1ixd n SER 91 Ca 0.08 -3.59 0.05 0.00 -1.33 0.00 0.00 58.87 54.07 1ixd n SER 91 Cb 0.45 -0.54 0.46 0.00 -0.75 0.00 0.00 64.21 63.83 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 0.88 0.00 -0.45 -1.46 3.08 -1.99 -2.44 114.38 112.00 1ixd h ARG 92 Ca 0.07 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.95 1ixd h ARG 92 Cb 1.25 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.20 1ixd h ARG 92 CO 0.14 0.25 0.08 1.19 -1.07 0.00 0.00 179.97 180.56 1ixd n PHE 93 N -4.19 1.47 -2.97 3.04 3.01 -1.26 -4.98 117.46 111.58 1ixd n PHE 93 Ca -0.02 -1.34 -0.41 0.00 1.01 0.00 0.00 57.45 56.68 1ixd n PHE 93 Cb 0.30 -0.52 -0.05 0.00 -0.01 0.00 0.00 39.48 39.21 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 -3.09 3.58 -0.46 4.37 0.00 -0.92 -5.00 121.76 120.24 1ixd s ALA 94 Ca 0.47 -0.16 -0.28 0.00 0.00 0.00 0.00 51.96 51.99 1ixd s ALA 94 Cb 0.40 -3.16 0.01 0.00 0.00 0.00 0.00 23.12 20.37 1ixd s ALA 94 CO 0.06 -0.74 1.47 -1.12 0.00 0.00 0.00 175.76 175.43 1ixd s SER 95 N 1.27 6.18 -0.16 0.00 0.01 -1.26 -4.83 113.70 114.90 1ixd s SER 95 Ca 0.33 0.68 0.15 0.00 1.31 0.00 0.00 55.95 58.42 1ixd s SER 95 Cb -0.16 -2.54 0.43 0.00 0.21 0.00 0.00 66.02 63.96 1ixd s SER 95 CO 0.10 -1.59 1.20 -0.11 0.41 0.00 0.00 173.24 173.24 1ixd n LEU 96 N 9.39 2.42 -3.32 2.44 7.94 -1.26 -4.88 117.00 129.72 1ixd n LEU 96 Ca 0.16 -3.42 -0.25 0.00 -1.11 0.00 0.00 56.01 51.39 1ixd n LEU 96 Cb 0.48 -0.30 -0.08 0.00 0.53 0.00 0.00 43.42 44.05 1ixd n LEU 96 CO 0.70 1.21 -0.24 1.67 -1.11 0.00 0.00 177.39 179.63 1ixd n GLN 97 N -0.59 0.87 -0.44 1.96 -0.06 -1.26 -5.13 117.38 112.73 1ixd n GLN 97 Ca 0.17 -3.48 -0.20 0.00 -2.00 0.00 0.00 57.00 51.50 1ixd n GLN 97 Cb 0.86 -1.55 0.18 0.00 -4.06 0.00 0.00 30.24 25.67 1ixd n GLN 97 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 1ixd n PRO 98 N 1.78 -2.95 -3.65 3.69 -0.02 -1.26 -5.06 135.00 127.52 1ixd n PRO 98 Ca 0.25 -0.88 -0.15 0.00 -2.02 0.00 0.00 63.50 60.70 1ixd n PRO 98 Cb 0.49 -1.58 -0.08 0.00 -0.02 0.00 0.00 33.50 32.31 1ixd n PRO 98 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1ixd s SER 99 N -2.26 -0.50 0.00 2.55 0.01 -1.26 -5.08 113.70 107.16 1ixd s SER 99 Ca 0.43 0.69 0.00 0.00 1.31 0.00 0.00 55.95 58.38 1ixd s SER 99 Cb -0.08 0.70 0.00 0.00 0.21 0.00 0.00 66.02 66.85 1ixd s SER 99 CO 0.37 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 174.23 1ixd n GLY 100 N 1.73 -2.12 3.60 3.44 0.00 -1.26 -5.10 105.19 105.48 1ixd n GLY 100 Ca -0.18 0.66 -0.43 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.70 3.43 0.50 1.61 0.04 -1.26 -4.98 135.00 133.64 1ixd s PRO 101 Ca 0.00 1.32 -0.22 0.00 0.04 0.00 0.00 61.00 62.14 1ixd s PRO 101 Cb 0.00 -4.14 -0.06 0.00 0.04 0.00 0.00 34.50 30.33 1ixd s PRO 101 CO 0.00 -1.74 1.19 0.45 0.04 0.00 0.00 177.00 176.94 1ixd s SER 102 N 5.40 5.89 -0.17 6.66 0.15 -1.26 -5.03 113.70 125.34 1ixd s SER 102 Ca 0.75 2.35 -0.00 0.00 0.70 0.00 0.00 55.95 59.75 1ixd s SER 102 Cb -0.20 -2.60 0.04 0.00 -1.71 0.00 0.00 66.02 61.55 1ixd s SER 102 CO 0.33 -1.11 -0.06 -0.44 1.20 0.00 0.00 173.24 173.16 1ixd s SER 103 N -1.40 2.98 0.00 5.45 0.01 -1.26 -5.32 113.70 114.17 1ixd s SER 103 Ca 0.67 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 57.21 1ixd s SER 103 Cb -0.29 -0.98 0.00 0.00 0.21 0.00 0.00 66.02 64.96 1ixd s SER 103 CO 0.35 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.43