#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 5.21 0.03 1.61 0.01 -1.26 -4.99 113.70 114.31 1ixd s SER 2 Ca 0.00 1.53 -0.18 0.00 1.31 0.00 0.00 55.95 58.60 1ixd s SER 2 Cb 0.00 -2.37 -0.22 0.00 0.21 0.00 0.00 66.02 63.63 1ixd s SER 2 CO 0.00 -1.54 1.15 0.77 0.41 0.00 0.00 173.24 174.03 1ixd h SER 3 N -0.79 0.64 -3.12 2.44 4.64 -2.15 -3.50 113.55 111.70 1ixd h SER 3 Ca -0.45 -0.73 0.00 0.00 -0.47 0.00 0.00 61.79 60.15 1ixd h SER 3 Cb 1.22 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1ixd h SER 3 CO 0.58 1.28 0.00 0.61 -0.87 0.00 0.00 176.83 178.42 1ixd n GLY 4 N 0.99 0.91 2.95 -0.77 0.00 -1.26 -5.08 105.19 102.92 1ixd n GLY 4 Ca -0.10 -1.56 0.01 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.64 -0.84 -0.78 1.61 1.04 -1.26 -5.10 113.70 107.73 1ixd s SER 5 Ca 0.00 -0.45 -0.19 0.00 0.48 0.00 0.00 55.95 55.79 1ixd s SER 5 Cb 0.00 1.08 0.13 0.00 0.10 0.00 0.00 66.02 67.33 1ixd s SER 5 CO 0.00 -0.09 0.93 -0.44 0.98 0.00 0.00 173.24 174.62 1ixd s SER 6 N 1.87 6.46 -0.31 7.02 0.01 -1.26 -4.85 113.70 122.65 1ixd s SER 6 Ca 0.16 -1.83 0.08 0.00 1.31 0.00 0.00 55.95 55.66 1ixd s SER 6 Cb 0.00 -2.34 0.47 0.00 0.21 0.00 0.00 66.02 64.36 1ixd s SER 6 CO -0.11 -1.05 1.37 0.61 0.41 0.00 0.00 173.24 174.46 1ixd n GLY 7 N 5.16 5.60 0.09 3.44 0.00 -1.26 -4.59 105.19 113.63 1ixd n GLY 7 Ca 0.09 -1.87 -0.10 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.96 0.87 -4.49 0.99 4.77 -1.26 -4.98 117.00 111.94 1ixd n LEU 8 Ca 0.37 -0.03 -0.32 0.00 -0.03 0.00 0.00 56.01 56.00 1ixd n LEU 8 Cb 0.90 0.07 -0.13 0.00 -2.33 0.00 0.00 43.42 41.94 1ixd n LEU 8 CO 0.27 0.52 -0.45 0.00 -1.33 0.00 0.00 177.39 176.40 1ixd s ALA 9 N -2.39 2.70 -0.35 -1.18 0.00 -1.26 -4.80 121.76 114.49 1ixd s ALA 9 Ca -0.14 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.78 1ixd s ALA 9 Cb 0.05 -0.93 0.14 0.00 0.00 0.00 0.00 23.12 22.39 1ixd s ALA 9 CO 0.60 0.57 0.24 -1.64 0.00 0.00 0.00 175.76 175.53 1ixd s MET 10 N -1.05 0.51 0.16 0.00 -1.94 -0.68 -5.01 119.30 111.29 1ixd s MET 10 Ca 0.13 -1.08 -0.15 0.00 -1.71 0.00 0.00 55.69 52.88 1ixd s MET 10 Cb -0.11 -1.12 0.07 0.00 2.01 0.00 0.00 34.83 35.68 1ixd s MET 10 CO 0.03 -1.18 1.77 -1.35 -0.01 0.00 0.00 175.02 174.29 1ixd h PRO 11 N 7.23 0.38 -0.10 2.03 0.11 -1.87 -1.58 132.00 138.19 1ixd h PRO 11 Ca 0.02 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.14 1ixd h PRO 11 Cb 1.00 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 1ixd h PRO 11 CO 0.27 0.25 0.25 -1.35 -0.21 0.00 0.00 178.00 177.21 1ixd h PRO 12 N 0.39 0.00 -1.28 1.05 0.11 -1.98 -2.57 132.00 127.72 1ixd h PRO 12 Ca 0.17 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.84 1ixd h PRO 12 Cb 0.09 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 30.80 1ixd h PRO 12 CO -0.13 0.00 -1.04 0.41 -0.21 0.00 0.00 178.00 177.03 1ixd n GLY 13 N -1.28 3.19 5.15 -0.55 0.00 -0.66 -5.04 105.19 106.01 1ixd n GLY 13 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.17 0.00 0.00 1.61 3.02 -0.84 -2.79 115.26 116.09 1ixd n ASN 14 Ca 0.20 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 1ixd n ASN 14 Cb 0.74 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.91 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 1.58 0.00 0.00 6.41 2.88 -1.09 -4.18 113.62 119.21 1ixd n SER 15 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ixd n SER 15 Cb 0.00 0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 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 -2.22 0.00 0.00 0.66 8.25 -1.12 -1.69 115.22 119.10 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 0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.23 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 2.50 -1.25 3.55 -1.41 0.00 -1.12 -4.94 105.19 102.52 1ixd n GLY 17 Ca 0.00 0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.95 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 0.35 0.99 1.43 -1.26 -4.92 118.68 118.52 1ixd s LEU 18 Ca 0.00 -0.69 0.07 0.00 -1.03 0.00 0.00 54.13 52.48 1ixd s LEU 18 Cb 0.00 -2.56 -0.03 0.00 0.03 0.00 0.00 46.19 43.63 1ixd s LEU 18 CO 0.00 -1.76 0.26 -1.83 0.23 0.00 0.00 176.35 173.25 1ixd s GLU 19 N 5.55 1.81 0.30 1.70 -1.05 -1.26 -5.02 118.70 120.73 1ixd s GLU 19 Ca 0.37 -2.07 -0.30 0.00 -0.15 0.00 0.00 54.97 52.83 1ixd s GLU 19 Cb -0.06 0.17 -0.11 0.00 -0.44 0.00 0.00 34.13 33.69 1ixd s GLU 19 CO 0.09 -0.64 1.55 0.08 0.95 0.00 0.00 175.26 177.30 1ixd s VAL 20 N -3.38 2.15 0.00 1.83 1.01 -1.26 -2.28 120.40 118.46 1ixd s VAL 20 Ca 0.38 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1ixd s VAL 20 Cb 0.02 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1ixd s VAL 20 CO 0.26 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.99 1ixd n GLY 21 N 1.88 2.91 3.84 4.51 0.00 -0.74 -5.00 105.19 112.59 1ixd n GLY 21 Ca 0.07 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 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 0.65 6.81 0.10 1.61 0.01 -0.97 -4.78 113.70 117.13 1ixd s SER 22 Ca 0.00 1.30 -0.25 0.00 1.31 0.00 0.00 55.95 58.32 1ixd s SER 22 Cb 0.00 -2.38 -0.07 0.00 0.21 0.00 0.00 66.02 63.78 1ixd s SER 22 CO 0.00 -0.19 0.76 -0.76 0.41 0.00 0.00 173.24 173.47 1ixd s LEU 23 N -2.89 4.52 0.03 2.44 1.43 -1.26 -1.43 118.68 121.52 1ixd s LEU 23 Ca 0.53 1.53 -0.00 0.00 -1.03 0.00 0.00 54.13 55.16 1ixd s LEU 23 Cb -0.11 -3.24 -0.03 0.00 0.03 0.00 0.00 46.19 42.84 1ixd s LEU 23 CO 0.18 0.12 -0.04 0.00 0.23 0.00 0.00 176.35 176.84 1ixd s ALA 24 N -0.60 0.31 0.03 4.21 0.00 -1.01 -1.06 121.76 123.64 1ixd s ALA 24 Ca 0.37 -0.83 0.08 0.00 0.00 0.00 0.00 51.96 51.58 1ixd s ALA 24 Cb -0.22 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 1ixd s ALA 24 CO 0.24 -0.22 -0.23 -2.00 0.00 0.00 0.00 175.76 173.55 1ixd s GLU 25 N -2.34 1.97 0.24 0.00 -6.30 0.14 -3.80 118.70 108.61 1ixd s GLU 25 Ca -0.07 -1.02 0.03 0.00 -2.50 0.00 0.00 54.97 51.40 1ixd s GLU 25 Cb -0.04 -2.07 -0.03 0.00 0.00 0.00 0.00 34.13 31.99 1ixd s GLU 25 CO -0.04 0.53 0.39 0.08 0.02 0.00 0.00 175.26 176.25 1ixd s VAL 26 N -0.81 5.23 -0.61 3.70 1.01 -1.26 0.10 120.40 127.76 1ixd s VAL 26 Ca 0.12 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 1ixd s VAL 26 Cb -0.10 -3.82 0.22 0.00 0.00 0.00 0.00 36.38 32.68 1ixd s VAL 26 CO 0.02 -0.31 2.36 0.29 0.00 0.00 0.00 175.10 177.46 1ixd n LYS 27 N -1.21 2.51 -2.78 2.72 4.76 -1.23 -4.89 118.16 118.04 1ixd n LYS 27 Ca -0.07 -2.81 -0.21 0.00 -2.87 0.00 0.00 58.31 52.35 1ixd n LYS 27 Cb 0.56 -2.16 0.07 0.00 -1.84 0.00 0.00 35.03 31.66 1ixd n LYS 27 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1ixd s GLU 28 N -2.82 2.18 0.07 1.97 2.12 -1.26 -5.04 118.70 115.92 1ixd s GLU 28 Ca 0.54 -1.21 -0.35 0.00 0.36 0.00 0.00 54.97 54.31 1ixd s GLU 28 Cb 0.40 -2.51 -0.20 0.00 0.26 0.00 0.00 34.13 32.09 1ixd s GLU 28 CO -0.26 -0.98 1.60 -0.91 -0.54 0.00 0.00 175.26 174.18 1ixd h ASN 29 N -0.05 -0.94 -3.31 -1.70 2.35 -2.05 -3.40 115.58 106.48 1ixd h ASN 29 Ca -0.36 0.03 -0.57 0.00 -0.55 0.00 0.00 56.30 54.86 1ixd h ASN 29 Cb 1.28 0.25 -0.05 0.00 0.05 0.00 0.00 38.32 39.84 1ixd h ASN 29 CO 0.43 -0.66 1.06 -2.16 -1.65 0.00 0.00 177.43 174.45 1ixd s PRO 30 N -6.03 3.57 -1.08 0.81 0.04 -1.26 -4.94 135.00 126.12 1ixd s PRO 30 Ca -0.19 0.87 -0.24 0.00 0.04 0.00 0.00 61.00 61.48 1ixd s PRO 30 Cb 0.03 -4.02 -0.10 0.00 0.04 0.00 0.00 34.50 30.45 1ixd s PRO 30 CO 0.61 -1.57 1.98 -1.25 0.04 0.00 0.00 177.00 176.81 1ixd s PRO 31 N 4.92 2.32 0.47 0.56 0.04 -1.26 -4.92 135.00 137.13 1ixd s PRO 31 Ca 0.59 -0.78 0.08 0.00 0.04 0.00 0.00 61.00 60.94 1ixd s PRO 31 Cb -0.13 -5.14 0.03 0.00 0.04 0.00 0.00 34.50 29.30 1ixd s PRO 31 CO 0.32 -4.02 0.62 -0.59 0.04 0.00 0.00 177.00 173.36 1ixd s PHE 32 N 11.65 2.31 -0.05 0.56 -0.12 -1.26 -5.13 117.98 125.94 1ixd s PHE 32 Ca 0.71 -0.53 0.01 0.00 -0.05 0.00 0.00 56.93 57.07 1ixd s PHE 32 Cb -0.03 -2.29 0.02 0.00 -0.63 0.00 0.00 43.02 40.09 1ixd s PHE 32 CO 0.10 -0.63 -0.05 0.71 -0.05 0.00 0.00 175.22 175.30 1ixd s TYR 33 N -2.48 0.82 0.30 3.49 2.02 -1.26 -4.68 117.35 115.57 1ixd s TYR 33 Ca 0.56 -0.25 -0.03 0.00 -0.37 0.00 0.00 57.07 56.98 1ixd s TYR 33 Cb -0.08 -0.73 -0.01 0.00 -0.40 0.00 0.00 41.96 40.74 1ixd s TYR 33 CO 0.34 -0.23 0.40 0.20 -1.57 0.00 0.00 175.55 174.69 1ixd s GLY 34 N 1.05 1.38 0.02 0.71 0.00 -1.25 -3.02 107.32 106.21 1ixd s GLY 34 Ca -0.09 -1.48 0.09 0.00 0.00 0.00 0.00 44.72 43.24 1ixd s GLY 34 CO -0.01 -1.04 -0.26 0.54 0.00 0.00 0.00 173.10 172.33 1ixd s VAL 35 N -3.46 2.09 0.29 1.40 0.11 -1.01 -2.40 120.40 117.41 1ixd s VAL 35 Ca 0.31 -1.26 -0.29 0.00 -2.93 0.00 0.00 61.98 57.81 1ixd s VAL 35 Cb 0.01 -1.76 -0.11 0.00 -1.53 0.00 0.00 36.38 33.00 1ixd s VAL 35 CO 0.18 0.46 1.46 -0.63 -3.33 0.00 0.00 175.10 173.23 1ixd s ILE 36 N -0.71 2.44 0.07 7.04 1.01 -0.52 -0.78 121.20 129.75 1ixd s ILE 36 Ca 0.11 0.39 0.00 0.00 0.00 0.00 0.00 60.65 61.15 1ixd s ILE 36 Cb -0.10 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.12 1ixd s ILE 36 CO 0.01 0.07 0.00 0.54 0.00 0.00 0.00 174.94 175.56 1ixd n ARG 37 N 1.72 0.00 -4.93 2.79 5.12 0.30 -1.79 116.66 119.87 1ixd n ARG 37 Ca 0.05 0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 55.69 1ixd n ARG 37 Cb 0.40 -0.32 -0.16 0.00 -1.16 0.00 0.00 32.46 31.21 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 -1.66 1.95 -0.28 -1.55 -0.00 -1.25 -4.76 118.94 111.40 1ixd s TRP 38 Ca 0.00 -0.66 0.02 0.00 -0.00 0.00 0.00 56.10 55.46 1ixd s TRP 38 Cb 0.00 -1.32 0.08 0.00 -0.00 0.00 0.00 33.47 32.22 1ixd s TRP 38 CO 0.00 -0.25 -0.01 0.42 -0.00 0.00 0.00 176.95 177.11 1ixd s ILE 39 N 0.21 1.69 0.01 5.86 1.01 -1.26 0.64 121.20 129.35 1ixd s ILE 39 Ca -0.09 -1.57 -0.00 0.00 0.00 0.00 0.00 60.65 58.98 1ixd s ILE 39 Cb -0.14 -2.05 0.00 0.00 0.01 0.00 0.00 42.46 40.28 1ixd s ILE 39 CO 0.04 -0.31 0.02 0.61 0.00 0.00 0.00 174.94 175.31 1ixd n GLY 40 N 4.57 1.54 2.91 6.18 0.00 -1.18 -4.93 105.19 114.28 1ixd n GLY 40 Ca -0.07 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.00 1.56 0.92 1.61 -0.21 -1.26 -1.45 119.66 118.82 1ixd s GLN 41 Ca 0.00 -0.58 -0.11 0.00 0.02 0.00 0.00 55.36 54.69 1ixd s GLN 41 Cb -0.00 -2.09 0.10 0.00 1.00 0.00 0.00 33.01 32.02 1ixd s GLN 41 CO 0.00 -0.43 0.91 -2.30 -2.12 0.00 0.00 175.29 171.35 1ixd n PRO 42 N 4.84 -0.34 -2.17 2.91 -0.02 -1.26 -4.84 135.00 134.11 1ixd n PRO 42 Ca -0.12 -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 -4.24 2.80 0.00 0.52 0.04 -1.26 -3.36 135.00 129.50 1ixd s PRO 43 Ca 0.64 -0.72 0.00 0.00 0.04 0.00 0.00 61.00 60.96 1ixd s PRO 43 Cb -0.23 -5.18 0.00 0.00 0.04 0.00 0.00 34.50 29.13 1ixd s PRO 43 CO 0.60 -3.24 0.00 0.41 0.04 0.00 0.00 177.00 174.81 1ixd n GLY 44 N 6.55 1.37 3.06 0.56 0.00 -1.26 -5.10 105.19 110.36 1ixd n GLY 44 Ca 0.41 -0.04 -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 2.92 -0.45 0.99 2.34 -1.21 -5.08 118.68 118.20 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 -1.45 0.00 0.00 -0.56 0.00 0.00 46.19 44.18 1ixd s LEU 45 CO 0.00 -0.15 1.55 0.21 -1.06 0.00 0.00 176.35 176.90 1ixd s ASN 46 N 1.21 6.08 -0.30 1.48 3.84 -1.26 -4.10 114.94 121.89 1ixd s ASN 46 Ca -0.05 0.77 -0.14 0.00 0.21 0.00 0.00 52.86 53.65 1ixd s ASN 46 Cb -0.18 -2.54 0.15 0.00 -0.55 0.00 0.00 41.25 38.14 1ixd s ASN 46 CO -0.07 -1.66 0.88 -1.83 -2.79 0.00 0.00 177.10 171.64 1ixd s GLU 47 N 5.45 0.39 -0.57 0.43 -1.05 -1.26 -5.10 118.70 116.99 1ixd s GLU 47 Ca 0.64 0.94 -0.26 0.00 -0.15 0.00 0.00 54.97 56.14 1ixd s GLU 47 Cb -0.15 0.53 -0.04 0.00 -0.44 0.00 0.00 34.13 34.03 1ixd s GLU 47 CO 0.30 -0.13 2.10 0.08 0.95 0.00 0.00 175.26 178.56 1ixd s VAL 48 N 2.47 3.21 -0.31 1.83 1.01 -1.26 -4.19 120.40 123.16 1ixd s VAL 48 Ca -0.04 0.11 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 1ixd s VAL 48 Cb -0.07 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.77 1ixd s VAL 48 CO -0.18 -0.53 0.11 -0.76 0.00 0.00 0.00 175.10 173.75 1ixd s LEU 49 N 10.47 4.01 -0.35 3.92 1.43 -0.53 0.80 118.68 138.43 1ixd s LEU 49 Ca 0.80 -0.68 -0.19 0.00 -1.03 0.00 0.00 54.13 53.02 1ixd s LEU 49 Cb -0.14 -1.93 -0.00 0.00 0.03 0.00 0.00 46.19 44.15 1ixd s LEU 49 CO 0.23 -0.21 0.58 0.00 0.23 0.00 0.00 176.35 177.18 1ixd s ALA 50 N 1.54 3.47 -0.45 4.21 0.00 0.69 -3.11 121.76 128.12 1ixd s ALA 50 Ca 0.03 -0.91 -0.28 0.00 0.00 0.00 0.00 51.96 50.81 1ixd s ALA 50 Cb -0.17 -3.10 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 1ixd s ALA 50 CO 0.04 -1.27 1.77 0.20 0.00 0.00 0.00 175.76 176.50 1ixd s GLY 51 N 1.77 0.61 -0.16 0.00 0.00 0.21 -3.20 107.32 106.54 1ixd s GLY 51 Ca 0.22 -0.13 -0.16 0.00 0.00 0.00 0.00 44.72 44.65 1ixd s GLY 51 CO 0.14 3.26 0.37 1.08 0.00 0.00 0.00 173.10 177.95 1ixd s LEU 52 N 7.53 4.23 -0.40 0.66 1.43 -0.58 0.11 118.68 131.66 1ixd s LEU 52 Ca 0.73 0.59 -0.17 0.00 -1.03 0.00 0.00 54.13 54.25 1ixd s LEU 52 Cb -0.18 -2.50 0.01 0.00 0.03 0.00 0.00 46.19 43.56 1ixd s LEU 52 CO 0.29 0.02 0.45 -0.70 0.23 0.00 0.00 176.35 176.64 1ixd s GLU 53 N 0.74 3.26 0.27 1.70 2.12 0.04 0.03 118.70 126.86 1ixd s GLU 53 Ca 0.20 -0.59 -0.29 0.00 0.36 0.00 0.00 54.97 54.65 1ixd s GLU 53 Cb -0.14 -3.92 -0.10 0.00 0.26 0.00 0.00 34.13 30.24 1ixd s GLU 53 CO 0.07 -0.78 1.22 -0.51 -0.54 0.00 0.00 175.26 174.72 1ixd s LEU 54 N 2.21 4.47 0.25 2.70 1.43 -1.07 -2.42 118.68 126.25 1ixd s LEU 54 Ca 0.14 2.44 0.07 0.00 -1.03 0.00 0.00 54.13 55.75 1ixd s LEU 54 Cb -0.16 -3.63 0.28 0.00 0.03 0.00 0.00 46.19 42.71 1ixd s LEU 54 CO 0.14 -0.37 1.57 -0.33 0.23 0.00 0.00 176.35 177.59 1ixd h GLU 55 N 4.08 0.14 -5.47 1.70 5.08 -1.88 -3.43 114.58 114.80 1ixd h GLU 55 Ca -0.47 -0.10 -0.60 0.00 -1.00 0.00 0.00 59.36 57.19 1ixd h GLU 55 Cb 1.22 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 30.38 1ixd h GLU 55 CO 0.69 0.72 -0.24 -0.51 -1.00 0.00 0.00 179.01 178.66 1ixd s ASP 56 N -6.88 6.46 -0.59 1.42 1.11 -1.26 -5.02 116.67 111.91 1ixd s ASP 56 Ca -0.03 0.53 -0.27 0.00 0.18 0.00 0.00 52.55 52.97 1ixd s ASP 56 Cb 0.12 -2.22 -0.02 0.00 1.07 0.00 0.00 42.92 41.87 1ixd s ASP 56 CO 0.79 -0.01 1.83 -1.61 1.18 0.00 0.00 175.17 177.35 1ixd s GLU 57 N 0.96 2.72 -0.24 8.23 2.02 -1.26 -4.79 118.70 126.33 1ixd s GLU 57 Ca 0.19 0.66 -0.08 0.00 0.02 0.00 0.00 54.97 55.76 1ixd s GLU 57 Cb -0.14 -4.36 -0.03 0.00 0.10 0.00 0.00 34.13 29.70 1ixd s GLU 57 CO 0.07 -2.62 0.08 0.00 0.02 0.00 0.00 175.26 172.80 1ixd s ALA 59 N 1.49 3.69 0.00 0.00 0.00 -1.26 -3.21 121.76 122.47 1ixd s ALA 59 Ca 0.06 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1ixd s ALA 59 Cb -0.15 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.19 1ixd s ALA 59 CO 0.04 -1.32 0.00 0.41 0.00 0.00 0.00 175.76 174.89 1ixd n GLY 60 N 4.29 1.27 3.98 0.00 0.00 -1.26 -5.13 105.19 108.34 1ixd n GLY 60 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.78 0.00 -1.34 0.00 -2.24 -1.24 -4.20 114.28 102.47 1ixd n THR 62 Ca 0.12 -0.06 -0.19 0.00 -2.27 0.00 0.00 64.05 61.66 1ixd n THR 62 Cb 0.60 -0.84 0.17 0.00 -2.10 0.00 0.00 70.33 68.17 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 -2.69 3.75 0.00 3.42 5.68 -1.26 -2.46 116.55 122.99 1ixd n ASP 63 Ca 0.00 -3.70 0.00 0.00 -0.50 0.00 0.00 54.79 50.60 1ixd n ASP 63 Cb 0.02 -0.77 0.00 0.00 -1.14 0.00 0.00 41.12 39.23 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 0.68 2.79 6.12 0.00 -1.26 -3.71 105.19 108.70 1ixd n GLY 64 Ca 0.51 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.27 0.34 -0.26 2.61 -4.23 -1.26 -3.08 115.64 108.50 1ixd s THR 65 Ca 0.00 0.10 -0.05 0.00 -1.18 0.00 0.00 61.69 60.56 1ixd s THR 65 Cb 0.00 -0.48 -0.00 0.00 1.34 0.00 0.00 72.50 73.36 1ixd s THR 65 CO 0.00 0.24 0.03 0.12 -0.54 0.00 0.00 174.62 174.46 1ixd s PHE 66 N 1.72 3.07 -1.51 3.99 5.36 -0.68 -4.54 117.98 125.39 1ixd s PHE 66 Ca 0.01 -0.92 -0.05 0.00 -0.96 0.00 0.00 56.93 55.01 1ixd s PHE 66 Cb -0.13 -2.19 0.01 0.00 -0.34 0.00 0.00 43.02 40.37 1ixd s PHE 66 CO -0.04 -0.54 0.70 0.54 -1.46 0.00 0.00 175.22 174.42 1ixd n ARG 67 N 4.84 -5.38 -2.03 10.12 1.74 -1.26 -1.75 116.66 122.93 1ixd n ARG 67 Ca -0.16 0.89 -0.07 0.00 -0.77 0.00 0.00 57.85 57.74 1ixd n ARG 67 Cb 0.49 -5.77 -0.01 0.00 -1.02 0.00 0.00 32.46 26.16 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 -1.60 0.17 2.74 -0.13 0.00 -1.26 -5.02 105.19 100.09 1ixd n GLY 68 Ca -0.09 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.35 0.66 -0.07 2.61 2.01 -0.72 -5.11 115.64 112.67 1ixd s THR 69 Ca 0.00 -0.81 -0.30 0.00 0.31 0.00 0.00 61.69 60.89 1ixd s THR 69 Cb 0.00 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.24 1ixd s THR 69 CO 0.00 -0.33 1.39 -0.60 -0.69 0.00 0.00 174.62 174.39 1ixd s ARG 70 N 1.78 4.25 -0.22 4.92 3.52 -1.26 -1.69 118.95 130.24 1ixd s ARG 70 Ca 0.01 1.89 0.00 0.00 -0.13 0.00 0.00 55.73 57.50 1ixd s ARG 70 Cb -0.17 -3.73 -0.14 0.00 -1.56 0.00 0.00 34.95 29.35 1ixd s ARG 70 CO -0.13 -0.67 -0.21 0.66 -0.81 0.00 0.00 175.30 174.15 1ixd n TYR 71 N 6.15 0.00 -4.32 5.12 4.01 -1.18 -5.00 117.16 121.94 1ixd n TYR 71 Ca 0.14 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.71 1ixd n TYR 71 Cb 0.44 -0.84 -0.10 0.00 -0.31 0.00 0.00 39.34 38.53 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 -2.44 1.54 -0.30 -0.72 -0.71 -1.26 -4.99 117.98 109.11 1ixd s PHE 72 Ca -0.30 -1.29 -0.07 0.00 -1.04 0.00 0.00 56.93 54.23 1ixd s PHE 72 Cb 0.08 -0.85 0.01 0.00 -1.21 0.00 0.00 43.02 41.05 1ixd s PHE 72 CO 0.49 -0.45 0.08 0.99 -1.34 0.00 0.00 175.22 174.99 1ixd s THR 73 N -3.71 3.90 0.23 -4.49 2.01 -1.26 -4.74 115.64 107.58 1ixd s THR 73 Ca 0.37 -0.76 0.05 0.00 0.31 0.00 0.00 61.69 61.65 1ixd s THR 73 Cb 0.06 -3.03 -0.02 0.00 0.01 0.00 0.00 72.50 69.52 1ixd s THR 73 CO 0.15 0.05 0.21 0.00 -0.69 0.00 0.00 174.62 174.34 1ixd s ALA 75 N -2.91 2.38 0.30 0.00 0.00 -1.26 -4.83 121.76 115.44 1ixd s ALA 75 Ca 0.27 -0.27 -0.28 0.00 0.00 0.00 0.00 51.96 51.69 1ixd s ALA 75 Cb 0.01 -3.08 -0.09 0.00 0.00 0.00 0.00 23.12 19.96 1ixd s ALA 75 CO 0.19 -1.62 1.01 -0.51 0.00 0.00 0.00 175.76 174.83 1ixd s LEU 76 N -5.69 4.47 -1.20 0.00 1.43 -1.26 -3.59 118.68 112.83 1ixd s LEU 76 Ca 0.60 2.05 -0.08 0.00 -1.03 0.00 0.00 54.13 55.68 1ixd s LEU 76 Cb -0.14 -3.80 0.01 0.00 0.03 0.00 0.00 46.19 42.29 1ixd s LEU 76 CO 0.53 -0.10 0.99 0.29 0.23 0.00 0.00 176.35 178.30 1ixd n LYS 77 N 0.93 -6.75 -2.75 1.70 4.76 -1.03 -4.87 118.16 110.15 1ixd n LYS 77 Ca 0.00 0.73 -0.01 0.00 -2.87 0.00 0.00 58.31 56.16 1ixd n LYS 77 Cb 0.47 -5.45 0.09 0.00 -1.84 0.00 0.00 35.03 28.31 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 -4.36 1.54 -3.57 1.97 5.02 -1.08 -2.10 118.16 115.58 1ixd n LYS 78 Ca -0.00 -2.29 -0.24 0.00 -2.02 0.00 0.00 58.31 53.76 1ixd n LYS 78 Cb 0.56 -0.53 -0.16 0.00 -0.02 0.00 0.00 35.03 34.88 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 -1.72 0.23 -0.26 7.82 0.00 -1.10 -2.61 121.76 124.12 1ixd s ALA 79 Ca 0.17 -0.19 0.01 0.00 0.00 0.00 0.00 51.96 51.96 1ixd s ALA 79 Cb 0.39 -1.13 0.07 0.00 0.00 0.00 0.00 23.12 22.44 1ixd s ALA 79 CO -0.09 -1.21 -0.04 -1.17 0.00 0.00 0.00 175.76 173.25 1ixd s LEU 80 N 2.19 2.97 0.07 0.00 2.96 0.10 -3.65 118.68 123.32 1ixd s LEU 80 Ca 0.04 -1.36 -0.29 0.00 -0.22 0.00 0.00 54.13 52.30 1ixd s LEU 80 Cb -0.16 -1.28 -0.05 0.00 0.50 0.00 0.00 46.19 45.20 1ixd s LEU 80 CO -0.11 -0.25 0.91 -0.36 -1.32 0.00 0.00 176.35 175.21 1ixd s PHE 81 N 1.30 3.76 0.20 5.38 0.08 -1.26 -1.53 117.98 125.90 1ixd s PHE 81 Ca -0.04 1.68 -0.10 0.00 0.12 0.00 0.00 56.93 58.60 1ixd s PHE 81 Cb -0.19 -3.00 -0.01 0.00 -0.57 0.00 0.00 43.02 39.25 1ixd s PHE 81 CO -0.07 0.18 0.35 0.14 -0.10 0.00 0.00 175.22 175.72 1ixd s VAL 82 N 0.18 0.04 0.02 -0.44 -7.23 -1.19 -4.96 120.40 106.81 1ixd s VAL 82 Ca 0.45 -1.39 -0.30 0.00 -1.81 0.00 0.00 61.98 58.93 1ixd s VAL 82 Cb -0.22 -1.99 -0.07 0.00 0.56 0.00 0.00 36.38 34.66 1ixd s VAL 82 CO 0.27 -0.16 1.64 -0.54 -0.31 0.00 0.00 175.10 176.00 1ixd s LYS 83 N -3.99 4.20 0.38 4.82 1.02 -1.26 -0.22 119.74 124.69 1ixd s LYS 83 Ca 0.20 2.25 0.06 0.00 0.02 0.00 0.00 55.97 58.50 1ixd s LYS 83 Cb 0.02 -3.76 0.79 0.00 -0.52 0.00 0.00 37.83 34.36 1ixd s LYS 83 CO 0.04 -0.77 2.01 1.25 -0.92 0.00 0.00 175.35 176.96 1ixd h LEU 84 N 9.22 0.58 -1.94 3.17 5.85 0.07 -0.54 115.31 131.72 1ixd h LEU 84 Ca -0.41 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.28 1ixd h LEU 84 Cb 1.19 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 1ixd h LEU 84 CO 0.94 0.40 -0.11 0.07 -0.34 0.00 0.00 178.44 179.39 1ixd h LYS 85 N 0.67 0.00 -1.05 1.25 2.10 -1.90 -2.22 116.57 115.41 1ixd h LYS 85 Ca 0.23 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.36 1ixd h LYS 85 Cb 0.09 0.00 -0.26 0.00 -0.90 0.00 0.00 32.23 31.15 1ixd h LYS 85 CO -0.06 0.11 0.66 0.43 -2.00 0.00 0.00 179.45 178.60 1ixd n SER 86 N -3.77 5.32 -4.57 7.07 7.64 -0.21 -4.94 113.62 120.17 1ixd n SER 86 Ca -0.02 -3.50 -0.23 0.00 1.01 0.00 0.00 58.87 56.12 1ixd n SER 86 Cb 0.22 -0.89 -0.08 0.00 -1.01 0.00 0.00 64.21 62.45 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 -3.61 0.62 -0.05 0.00 1.81 0.28 -4.92 118.95 113.09 1ixd s ARG 88 Ca 0.31 -0.51 -0.35 0.00 -1.72 0.00 0.00 55.73 53.47 1ixd s ARG 88 Cb -0.06 -0.54 -0.13 0.00 -0.45 0.00 0.00 34.95 33.78 1ixd s ARG 88 CO 0.18 0.13 1.80 -2.30 -0.68 0.00 0.00 175.30 174.43 1ixd n PRO 89 N 2.26 2.07 -3.45 3.54 -0.02 -1.26 0.27 135.00 138.42 1ixd n PRO 89 Ca -0.17 0.76 -0.43 0.00 -2.02 0.00 0.00 63.50 61.64 1ixd n PRO 89 Cb 0.56 -2.57 -0.07 0.00 -0.02 0.00 0.00 33.50 31.40 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 3.29 5.95 -0.44 2.55 -1.08 -0.22 -4.73 116.67 121.99 1ixd s ASP 90 Ca 0.90 -1.68 0.03 0.00 -0.52 0.00 0.00 52.55 51.29 1ixd s ASP 90 Cb -0.72 -2.11 0.61 0.00 -1.46 0.00 0.00 42.92 39.23 1ixd s ASP 90 CO 0.50 -0.71 1.87 -0.24 0.52 0.00 0.00 175.17 177.11 1ixd n SER 91 N 5.09 4.05 0.18 -0.34 2.88 -1.26 -4.43 113.62 119.79 1ixd n SER 91 Ca -0.11 -3.52 0.04 0.00 -1.33 0.00 0.00 58.87 53.94 1ixd n SER 91 Cb 0.41 -0.83 0.44 0.00 -0.75 0.00 0.00 64.21 63.48 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 1.02 0.09 -0.65 -1.46 2.47 -1.94 -2.41 114.38 111.51 1ixd h ARG 92 Ca 0.59 -0.02 -0.35 0.00 -1.26 0.00 0.00 59.98 58.94 1ixd h ARG 92 Cb 2.58 -0.01 -0.21 0.00 -1.65 0.00 0.00 29.97 30.68 1ixd h ARG 92 CO 1.08 0.29 0.23 1.19 0.56 0.00 0.00 179.97 183.32 1ixd n PHE 93 N -4.27 2.04 -1.67 3.04 3.01 -1.26 -5.01 117.46 113.33 1ixd n PHE 93 Ca -0.02 -1.81 -0.44 0.00 1.01 0.00 0.00 57.45 56.20 1ixd n PHE 93 Cb 0.28 -0.72 -0.03 0.00 -0.01 0.00 0.00 39.48 38.99 1ixd n PHE 93 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ixd n ALA 94 N -1.11 1.63 -2.77 4.37 0.00 -0.91 -4.98 120.51 116.74 1ixd n ALA 94 Ca 0.46 0.27 -0.27 0.00 0.00 0.00 0.00 53.44 53.89 1ixd n ALA 94 Cb 1.27 -2.61 -0.06 0.00 0.00 0.00 0.00 19.45 18.05 1ixd n ALA 94 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ixd s SER 95 N 3.73 5.37 -0.30 0.00 0.01 -1.26 -5.10 113.70 116.15 1ixd s SER 95 Ca 0.87 -0.16 -0.07 0.00 1.31 0.00 0.00 55.95 57.91 1ixd s SER 95 Cb -0.51 -1.36 0.19 0.00 0.21 0.00 0.00 66.02 64.55 1ixd s SER 95 CO 0.42 0.10 0.94 -0.22 0.41 0.00 0.00 173.24 174.89 1ixd s LEU 96 N -2.91 -0.69 0.59 2.44 0.20 -1.26 -5.15 118.68 111.90 1ixd s LEU 96 Ca 0.30 0.04 0.00 0.00 0.69 0.00 0.00 54.13 55.16 1ixd s LEU 96 Cb -0.10 1.39 0.00 0.00 -0.43 0.00 0.00 46.19 47.04 1ixd s LEU 96 CO 0.22 -0.12 0.00 0.00 -0.29 0.00 0.00 176.35 176.16 1ixd n GLN 97 N 5.06 -3.29 -2.18 1.98 6.02 -1.26 -4.73 117.38 118.98 1ixd n GLN 97 Ca 0.08 2.64 -0.42 0.00 -0.01 0.00 0.00 57.00 59.29 1ixd n GLN 97 Cb 0.57 -3.87 -0.03 0.00 1.02 0.00 0.00 30.24 27.94 1ixd n GLN 97 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1ixd s PRO 98 N -4.04 4.28 0.10 -1.09 0.04 -1.26 -4.85 135.00 128.18 1ixd s PRO 98 Ca 0.00 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1ixd s PRO 98 Cb 0.00 -3.53 0.00 0.00 0.04 0.00 0.00 34.50 31.01 1ixd s PRO 98 CO 0.00 -0.58 0.00 -1.13 0.04 0.00 0.00 177.00 175.33 1ixd n SER 99 N 5.21 0.07 -2.54 6.66 3.41 -1.26 -5.11 113.62 120.06 1ixd n SER 99 Ca 0.13 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 1ixd n SER 99 Cb 0.43 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1ixd n SER 99 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ixd n GLY 100 N 1.96 -0.60 0.14 5.00 0.00 -1.26 -5.00 105.19 105.43 1ixd n GLY 100 Ca 0.00 -1.68 -0.13 0.00 0.00 0.00 0.00 46.02 44.21 1ixd n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ixd h PRO 101 N 0.00 0.40 -1.81 1.61 0.13 -2.02 -3.41 132.00 126.91 1ixd h PRO 101 Ca 0.00 -0.22 -0.46 0.00 -0.87 0.00 0.00 66.00 64.45 1ixd h PRO 101 Cb 0.00 0.01 -0.32 0.00 0.13 0.00 0.00 31.00 30.82 1ixd h PRO 101 CO 0.00 0.78 -0.86 0.43 -0.23 0.00 0.00 178.00 178.12 1ixd n SER 102 N -4.51 -1.19 0.00 1.44 7.64 -1.26 -5.01 113.62 110.72 1ixd n SER 102 Ca -0.06 -2.63 0.00 0.00 1.01 0.00 0.00 58.87 57.19 1ixd n SER 102 Cb 0.38 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1ixd n SER 102 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ixd n SER 103 N 2.48 0.00 0.00 6.43 2.88 -1.26 -5.13 113.62 119.01 1ixd n SER 103 Ca 0.24 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 1ixd n SER 103 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1ixd n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42