#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qoz s TYR 2 N 0.00 1.78 -0.35 2.03 2.02 -1.26 -4.10 117.35 117.47 2qoz s TYR 2 Ca 0.00 1.50 0.04 0.00 -0.37 0.00 0.00 57.07 58.24 2qoz s TYR 2 Cb 0.00 -3.21 0.32 0.00 -0.40 0.00 0.00 41.96 38.67 2qoz s TYR 2 CO 0.00 -2.91 1.35 0.00 -1.57 0.00 0.00 175.55 172.41 2qoz n ALA 3 N -4.28 -2.73 -1.77 3.71 0.00 -1.06 -4.04 120.51 110.34 2qoz n ALA 3 Ca 0.08 -0.59 -0.38 0.00 0.00 0.00 0.00 53.44 52.55 2qoz n ALA 3 Cb 0.53 -2.77 -0.02 0.00 0.00 0.00 0.00 19.45 17.20 2qoz n ALA 3 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2qoz s VAL 4 N 0.09 3.18 -0.18 0.00 -7.23 -1.24 -3.65 120.40 111.37 2qoz s VAL 4 Ca 0.21 0.95 -0.32 0.00 -1.81 0.00 0.00 61.98 61.01 2qoz s VAL 4 Cb 0.29 -3.51 0.14 0.00 0.56 0.00 0.00 36.38 33.86 2qoz s VAL 4 CO -0.17 0.05 1.14 0.72 -0.31 0.00 0.00 175.10 176.53 2qoz s PHE 5 N -1.47 -0.20 -0.55 2.82 -0.71 -1.22 -1.92 117.98 114.72 2qoz s PHE 5 Ca 0.59 0.25 -0.27 0.00 -1.04 0.00 0.00 56.93 56.46 2qoz s PHE 5 Cb -0.29 0.50 0.03 0.00 -1.21 0.00 0.00 43.02 42.04 2qoz s PHE 5 CO 0.37 -0.25 1.09 -1.14 -1.34 0.00 0.00 175.22 173.94 2qoz s GLN 6 N -1.84 3.48 0.00 1.99 2.00 -1.19 -3.24 119.66 120.86 2qoz s GLN 6 Ca 0.06 0.12 0.00 0.00 -2.00 0.00 0.00 55.36 53.54 2qoz s GLN 6 Cb -0.01 -4.01 0.00 0.00 0.80 0.00 0.00 33.01 29.80 2qoz s GLN 6 CO -0.04 -1.55 0.00 -1.13 -0.50 0.00 0.00 175.29 172.07 2qoz n SER 7 N 7.98 0.00 0.00 6.67 3.41 0.11 -4.86 113.62 126.93 2qoz n SER 7 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 2qoz n SER 7 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 2qoz n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qoz n GLY 8 N 3.98 0.24 0.00 5.00 0.00 -1.26 -4.76 105.19 108.38 2qoz n GLY 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qoz n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qoz n GLY 9 N 2.17 -0.64 2.25 -0.02 0.00 -1.26 -4.99 105.19 102.69 2qoz n GLY 9 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2qoz n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qoz n LYS 10 N -0.02 0.92 -4.19 1.61 4.01 -1.26 -5.14 118.16 114.10 2qoz n LYS 10 Ca 0.00 -2.30 -0.13 0.00 -0.51 0.00 0.00 58.31 55.37 2qoz n LYS 10 Cb 0.08 0.97 -0.10 0.00 -0.51 0.00 0.00 35.03 35.47 2qoz n LYS 10 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 2qoz s GLN 11 N -3.08 0.88 0.13 1.97 -0.21 -1.26 0.06 119.66 118.15 2qoz s GLN 11 Ca 0.08 -1.27 -0.06 0.00 0.02 0.00 0.00 55.36 54.13 2qoz s GLN 11 Cb 0.00 -0.42 -0.02 0.00 1.00 0.00 0.00 33.01 33.57 2qoz s GLN 11 CO 0.05 0.04 0.17 -1.01 -2.12 0.00 0.00 175.29 172.43 2qoz s HIS 12 N -3.04 0.51 -0.86 0.91 3.76 -1.20 -4.96 115.29 110.41 2qoz s HIS 12 Ca 0.10 -0.90 0.01 0.00 -0.15 0.00 0.00 55.06 54.11 2qoz s HIS 12 Cb 0.01 -0.21 0.27 0.00 1.11 0.00 0.00 32.58 33.76 2qoz s HIS 12 CO -0.02 -0.60 1.09 -2.13 -0.85 0.00 0.00 174.74 172.23 2qoz n ARG 13 N -0.13 3.44 -2.25 1.40 0.63 -1.26 -3.40 116.66 115.09 2qoz n ARG 13 Ca -0.08 -4.61 -0.27 0.00 -0.92 0.00 0.00 57.85 51.97 2qoz n ARG 13 Cb 0.63 -2.39 0.05 0.00 0.45 0.00 0.00 32.46 31.20 2qoz n ARG 13 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2qoz s VAL 14 N -2.54 3.04 0.04 5.15 0.11 -1.24 -4.76 120.40 120.20 2qoz s VAL 14 Ca 0.35 -0.06 -0.03 0.00 -2.93 0.00 0.00 61.98 59.31 2qoz s VAL 14 Cb 0.08 -3.26 -0.02 0.00 -1.53 0.00 0.00 36.38 31.65 2qoz s VAL 14 CO 0.03 -0.28 0.03 -0.55 -3.33 0.00 0.00 175.10 171.00 2qoz s SER 15 N -4.40 0.30 -0.49 3.54 0.15 -1.26 -2.57 113.70 108.97 2qoz s SER 15 Ca 0.57 -0.70 -0.28 0.00 0.70 0.00 0.00 55.95 56.24 2qoz s SER 15 Cb -0.11 0.19 -0.09 0.00 -1.71 0.00 0.00 66.02 64.31 2qoz s SER 15 CO 0.46 -0.50 2.40 -0.62 1.20 0.00 0.00 173.24 176.18 2qoz n GLU 16 N 0.69 1.07 0.00 5.44 1.02 -1.26 -2.27 120.64 125.33 2qoz n GLU 16 Ca -0.18 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 2qoz n GLU 16 Cb 0.59 -3.09 0.00 0.00 -0.02 0.00 0.00 31.44 28.91 2qoz n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qoz n GLY 17 N 6.08 2.97 3.63 0.62 0.00 -1.14 -5.01 105.19 112.34 2qoz n GLY 17 Ca 0.40 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 2qoz n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2qoz s GLN 18 N 0.00 3.69 -0.10 1.61 -2.07 -0.96 -4.84 119.66 116.98 2qoz s GLN 18 Ca 0.00 1.95 -0.25 0.00 -1.82 0.00 0.00 55.36 55.24 2qoz s GLN 18 Cb 0.00 -4.15 -0.03 0.00 -1.09 0.00 0.00 33.01 27.74 2qoz s GLN 18 CO 0.00 -1.44 0.78 0.95 -1.32 0.00 0.00 175.29 174.26 2qoz s THR 19 N 5.87 4.96 0.29 3.63 -4.23 -1.24 -4.52 115.64 120.40 2qoz s THR 19 Ca 0.83 1.59 0.10 0.00 -1.18 0.00 0.00 61.69 63.02 2qoz s THR 19 Cb -0.31 -4.11 -0.05 0.00 1.34 0.00 0.00 72.50 69.38 2qoz s THR 19 CO 0.33 0.15 -0.03 0.68 -0.54 0.00 0.00 174.62 175.21 2qoz s VAL 20 N 1.38 3.08 -0.04 2.29 -7.23 -0.18 -4.93 120.40 114.76 2qoz s VAL 20 Ca 0.39 -2.02 0.01 0.00 -1.81 0.00 0.00 61.98 58.56 2qoz s VAL 20 Cb -0.18 -2.73 -0.03 0.00 0.56 0.00 0.00 36.38 34.00 2qoz s VAL 20 CO 0.17 -0.34 -0.06 0.00 -0.31 0.00 0.00 175.10 174.57 2qoz s ARG 21 N -3.66 2.72 0.00 4.82 1.70 -1.26 -1.61 118.95 121.66 2qoz s ARG 21 Ca 0.32 -0.59 0.00 0.00 -0.47 0.00 0.00 55.73 54.99 2qoz s ARG 21 Cb -0.05 -2.59 0.00 0.00 -0.57 0.00 0.00 34.95 31.74 2qoz s ARG 21 CO 0.19 0.65 0.00 1.28 -1.08 0.00 0.00 175.30 176.34 2qoz n LEU 22 N 1.96 0.00 -4.60 -1.89 4.77 -0.96 -4.99 117.00 111.29 2qoz n LEU 22 Ca -0.17 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.38 2qoz n LEU 22 Cb 0.53 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 2qoz n LEU 22 CO 0.29 0.00 0.83 -1.61 -1.33 0.00 0.00 177.39 175.57 2qoz s GLU 23 N -1.82 3.79 0.00 3.23 0.41 -1.26 -2.62 118.70 120.43 2qoz s GLU 23 Ca 0.00 0.57 0.00 0.00 -0.41 0.00 0.00 54.97 55.13 2qoz s GLU 23 Cb 0.00 -3.83 0.00 0.00 -1.78 0.00 0.00 34.13 28.52 2qoz s GLU 23 CO 0.00 -1.07 0.00 1.17 -0.49 0.00 0.00 175.26 174.87 2qoz n LYS 24 N 7.05 0.00 -3.60 1.61 4.81 -1.26 -4.72 118.16 122.05 2qoz n LYS 24 Ca 0.08 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.15 2qoz n LYS 24 Cb 0.48 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.47 2qoz n LYS 24 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2qoz s LEU 25 N 0.00 4.44 -0.58 3.14 2.01 -1.26 -4.95 118.68 121.48 2qoz s LEU 25 Ca 0.00 0.82 -0.06 0.00 0.01 0.00 0.00 54.13 54.90 2qoz s LEU 25 Cb 0.00 -2.53 -0.15 0.00 0.01 0.00 0.00 46.19 43.52 2qoz s LEU 25 CO 0.00 0.32 2.74 0.47 1.01 0.00 0.00 176.35 180.89 2qoz n ASP 26 N 1.71 5.32 -4.38 2.29 8.00 -1.26 -4.84 116.55 123.37 2qoz n ASP 26 Ca -0.14 -2.34 -0.30 0.00 0.71 0.00 0.00 54.79 52.72 2qoz n ASP 26 Cb 0.53 -1.20 -0.14 0.00 -0.02 0.00 0.00 41.12 40.29 2qoz n ASP 26 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2qoz s ILE 27 N 2.07 2.31 1.02 0.53 -1.09 -1.26 -5.12 121.20 119.66 2qoz s ILE 27 Ca 0.53 -1.52 -0.17 0.00 -2.23 0.00 0.00 60.65 57.26 2qoz s ILE 27 Cb 0.20 -1.97 0.02 0.00 -1.58 0.00 0.00 42.46 39.13 2qoz s ILE 27 CO -0.02 0.24 -0.04 0.00 -1.23 0.00 0.00 174.94 173.88 2qoz n ALA 28 N 1.34 -3.78 0.32 9.38 0.00 -1.26 -4.85 120.51 121.65 2qoz n ALA 28 Ca -0.17 -0.94 0.15 0.00 0.00 0.00 0.00 53.44 52.48 2qoz n ALA 28 Cb 0.52 -1.54 0.56 0.00 0.00 0.00 0.00 19.45 19.00 2qoz n ALA 28 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2qoz h THR 29 N -1.65 0.00 -1.24 0.00 2.02 -1.99 -3.31 112.91 106.75 2qoz h THR 29 Ca -0.47 -0.52 -0.41 0.00 0.77 0.00 0.00 66.41 65.79 2qoz h THR 29 Cb 1.32 1.46 -0.40 0.00 -1.74 0.00 0.00 68.15 68.79 2qoz h THR 29 CO 0.33 0.00 -1.14 0.61 0.37 0.00 0.00 175.52 175.69 2qoz n GLY 30 N 0.25 2.37 3.28 2.16 0.00 -1.26 -4.03 105.19 107.95 2qoz n GLY 30 Ca 0.02 -1.53 -0.20 0.00 0.00 0.00 0.00 46.02 44.31 2qoz n GLY 30 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qoz s GLU 31 N -3.06 1.13 0.03 1.61 2.12 -1.25 -4.96 118.70 114.34 2qoz s GLU 31 Ca 0.32 -1.30 -0.04 0.00 0.36 0.00 0.00 54.97 54.30 2qoz s GLU 31 Cb 0.43 -1.11 -0.05 0.00 0.26 0.00 0.00 34.13 33.67 2qoz s GLU 31 CO -0.01 0.22 0.26 0.99 -0.54 0.00 0.00 175.26 176.19 2qoz s THR 32 N -2.04 5.32 0.16 -1.70 2.01 -1.26 -2.15 115.64 115.98 2qoz s THR 32 Ca 0.12 -0.01 0.07 0.00 0.31 0.00 0.00 61.69 62.18 2qoz s THR 32 Cb -0.06 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 2qoz s THR 32 CO 0.05 0.27 -0.16 0.68 -0.69 0.00 0.00 174.62 174.77 2qoz s VAL 33 N -1.39 1.63 -0.21 3.82 -7.23 0.12 -4.93 120.40 112.22 2qoz s VAL 33 Ca 0.31 -1.92 -0.01 0.00 -1.81 0.00 0.00 61.98 58.55 2qoz s VAL 33 Cb -0.13 -1.79 0.01 0.00 0.56 0.00 0.00 36.38 35.04 2qoz s VAL 33 CO 0.20 -0.41 -0.13 -1.61 -0.31 0.00 0.00 175.10 172.83 2qoz s GLU 34 N -2.95 3.04 -0.31 4.82 2.02 -1.26 -0.66 118.70 123.40 2qoz s GLU 34 Ca 0.15 -0.82 -0.15 0.00 0.02 0.00 0.00 54.97 54.17 2qoz s GLU 34 Cb -0.04 -2.77 -0.02 0.00 0.10 0.00 0.00 34.13 31.39 2qoz s GLU 34 CO 0.05 -0.25 0.38 -0.06 0.02 0.00 0.00 175.26 175.40 2qoz s PHE 35 N 1.34 3.22 -0.73 1.61 0.08 0.14 -4.89 117.98 118.76 2qoz s PHE 35 Ca 0.04 0.19 0.18 0.00 0.12 0.00 0.00 56.93 57.45 2qoz s PHE 35 Cb -0.14 -2.65 -0.20 0.00 -0.57 0.00 0.00 43.02 39.45 2qoz s PHE 35 CO -0.09 -0.35 0.70 0.00 -0.10 0.00 0.00 175.22 175.39 2qoz n ALA 36 N 5.40 4.09 0.70 5.36 0.00 -1.26 -0.66 120.51 134.14 2qoz n ALA 36 Ca -0.08 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.86 2qoz n ALA 36 Cb 0.50 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.31 2qoz n ALA 36 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qoz n GLU 37 N -1.52 0.70 -2.49 0.00 4.71 -1.26 -4.77 120.64 116.01 2qoz n GLU 37 Ca 0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 57.16 56.77 2qoz n GLU 37 Cb 0.30 -1.27 -0.04 0.00 -1.01 0.00 0.00 31.44 29.42 2qoz n GLU 37 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2qoz s VAL 38 N -0.49 3.79 -0.26 2.62 0.11 -1.26 -3.20 120.40 121.72 2qoz s VAL 38 Ca 0.00 1.57 0.18 0.00 -2.93 0.00 0.00 61.98 60.80 2qoz s VAL 38 Cb 0.00 -4.00 0.49 0.00 -1.53 0.00 0.00 36.38 31.34 2qoz s VAL 38 CO 0.00 0.28 1.14 0.00 -3.33 0.00 0.00 175.10 173.19 2qoz n LEU 39 N 2.26 2.55 0.00 2.54 -0.00 -0.81 -2.83 117.00 120.71 2qoz n LEU 39 Ca 0.02 -3.50 0.00 0.00 -0.00 0.00 0.00 56.01 52.54 2qoz n LEU 39 Cb 0.46 0.20 0.00 0.00 -0.00 0.00 0.00 43.42 44.08 2qoz n LEU 39 CO 0.54 1.33 0.00 0.23 -0.00 0.00 0.00 177.39 179.49 2qoz n MET 40 N -0.59 0.00 -3.70 1.47 2.81 -1.26 -3.96 117.12 111.89 2qoz n MET 40 Ca 0.18 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.93 2qoz n MET 40 Cb 0.86 0.00 -0.09 0.00 -0.71 0.00 0.00 33.22 33.28 2qoz n MET 40 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 2qoz s ILE 41 N -2.00 0.01 0.00 2.02 -0.00 -1.25 -4.05 121.20 115.94 2qoz s ILE 41 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 60.65 60.60 2qoz s ILE 41 Cb 0.00 -0.68 0.00 0.00 -0.00 0.00 0.00 42.46 41.78 2qoz s ILE 41 CO 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 174.94 174.91 2qoz n ALA 42 N 2.54 0.00 -0.03 2.27 0.00 -1.26 -3.17 120.51 120.86 2qoz n ALA 42 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2qoz n ALA 42 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2qoz n ALA 42 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2qoz n ASN 43 N 0.00 0.00 0.00 0.00 6.94 -1.26 -3.59 115.26 117.35 2qoz n ASN 43 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2qoz n ASN 43 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2qoz n ASN 43 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2qoz n GLY 44 N 0.00 1.03 3.67 4.83 0.00 -1.26 -4.91 105.19 108.56 2qoz n GLY 44 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2qoz n GLY 44 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qoz s GLU 45 N 0.00 4.20 -0.98 1.61 -6.30 -1.24 -4.98 118.70 111.02 2qoz s GLU 45 Ca 0.00 0.29 -0.22 0.00 -2.50 0.00 0.00 54.97 52.54 2qoz s GLU 45 Cb 0.00 -3.53 -0.12 0.00 0.00 0.00 0.00 34.13 30.48 2qoz s GLU 45 CO 0.00 -0.05 1.92 -0.85 0.02 0.00 0.00 175.26 176.31 2qoz n GLU 46 N 4.47 1.60 -1.69 4.30 0.28 -1.26 -4.69 120.64 123.64 2qoz n GLU 46 Ca -0.07 -2.18 -0.17 0.00 -0.16 0.00 0.00 57.16 54.58 2qoz n GLU 46 Cb 0.51 -3.32 -0.09 0.00 1.43 0.00 0.00 31.44 29.98 2qoz n GLU 46 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2qoz s VAL 47 N 7.82 3.12 -1.39 3.84 1.01 -1.19 -4.81 120.40 128.81 2qoz s VAL 47 Ca 0.62 -0.16 -0.11 0.00 0.00 0.00 0.00 61.98 62.34 2qoz s VAL 47 Cb 0.07 -3.69 0.09 0.00 0.00 0.00 0.00 36.38 32.85 2qoz s VAL 47 CO 0.13 -0.24 2.17 2.29 0.00 0.00 0.00 175.10 179.45 2qoz n LYS 48 N 8.50 3.41 0.00 2.72 -0.00 -1.26 -3.74 118.16 127.79 2qoz n LYS 48 Ca 0.44 -3.02 0.00 0.00 -0.00 0.00 0.00 58.31 55.72 2qoz n LYS 48 Cb 0.45 -3.03 0.00 0.00 -0.00 0.00 0.00 35.03 32.45 2qoz n LYS 48 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 2qoz n ILE 49 N 3.91 0.00 0.45 0.58 -6.64 -1.25 -4.74 119.36 111.67 2qoz n ILE 49 Ca 0.50 0.00 0.07 0.00 -1.77 0.00 0.00 62.75 61.55 2qoz n ILE 49 Cb 0.35 0.00 0.30 0.00 -1.44 0.00 0.00 39.64 38.85 2qoz n ILE 49 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2qoz n GLY 50 N 0.34 -0.98 3.21 3.28 0.00 -1.26 -4.71 105.19 105.07 2qoz n GLY 50 Ca 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 2qoz n GLY 50 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qoz s VAL 51 N -3.03 0.13 -0.79 1.61 -7.23 -1.26 -5.07 120.40 104.76 2qoz s VAL 51 Ca 0.06 -1.54 -0.24 0.00 -1.81 0.00 0.00 61.98 58.45 2qoz s VAL 51 Cb 0.09 -1.69 -0.18 0.00 0.56 0.00 0.00 36.38 35.16 2qoz s VAL 51 CO 0.25 -0.57 2.13 -2.65 -0.31 0.00 0.00 175.10 173.95 2qoz n PRO 52 N -0.08 0.00 -0.18 4.82 -0.02 -1.26 -4.48 135.00 133.80 2qoz n PRO 52 Ca -0.10 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.40 2qoz n PRO 52 Cb 0.63 -1.18 -0.01 0.00 -0.02 0.00 0.00 33.50 32.92 2qoz n PRO 52 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2qoz n PHE 53 N 8.24 -2.09 -4.74 6.00 3.72 -1.26 -4.81 117.46 122.51 2qoz n PHE 53 Ca 0.52 0.22 -0.29 0.00 -0.05 0.00 0.00 57.45 57.85 2qoz n PHE 53 Cb 0.03 -0.18 -0.17 0.00 -0.94 0.00 0.00 39.48 38.22 2qoz n PHE 53 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2qoz s VAL 54 N -0.29 1.68 0.00 -4.37 0.11 -1.13 -4.71 120.40 111.70 2qoz s VAL 54 Ca 0.00 -0.77 0.00 0.00 -2.93 0.00 0.00 61.98 58.28 2qoz s VAL 54 Cb 0.00 -1.50 0.00 0.00 -1.53 0.00 0.00 36.38 33.35 2qoz s VAL 54 CO 0.00 0.48 0.98 -0.90 -3.33 0.00 0.00 175.10 172.33 2qoz n ASP 55 N 3.91 0.00 -4.54 3.54 3.85 -1.26 -3.82 116.55 118.22 2qoz n ASP 55 Ca -0.20 0.98 -0.41 0.00 -0.71 0.00 0.00 54.79 54.45 2qoz n ASP 55 Cb 0.52 -0.48 -0.03 0.00 -1.35 0.00 0.00 41.12 39.77 2qoz n ASP 55 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 2qoz s GLY 56 N -0.97 1.07 0.00 6.12 0.00 -1.26 -4.86 107.32 107.42 2qoz s GLY 56 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 44.72 43.00 2qoz s GLY 56 CO 0.00 2.59 0.00 0.61 0.00 0.00 0.00 173.10 176.30 2qoz n GLY 57 N 5.82 2.38 3.11 0.20 0.00 -1.02 -4.33 105.19 111.34 2qoz n GLY 57 Ca 0.12 0.21 -0.09 0.00 0.00 0.00 0.00 46.02 46.26 2qoz n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qoz s VAL 58 N 0.00 0.14 -0.25 1.61 0.11 -1.26 -4.77 120.40 115.97 2qoz s VAL 58 Ca 0.00 -1.11 0.01 0.00 -2.93 0.00 0.00 61.98 57.95 2qoz s VAL 58 Cb 0.00 -0.91 0.07 0.00 -1.53 0.00 0.00 36.38 34.01 2qoz s VAL 58 CO 0.00 -0.61 -0.05 -0.63 -3.33 0.00 0.00 175.10 170.48 2qoz s ILE 59 N -2.65 1.68 0.29 7.04 1.01 0.17 -2.72 121.20 126.01 2qoz s ILE 59 Ca -0.05 -1.41 -0.08 0.00 0.00 0.00 0.00 60.65 59.11 2qoz s ILE 59 Cb -0.01 -1.96 -0.06 0.00 0.01 0.00 0.00 42.46 40.44 2qoz s ILE 59 CO -0.05 -0.17 0.60 -0.54 0.00 0.00 0.00 174.94 174.78 2qoz s LYS 60 N 1.31 3.74 -0.00 2.79 1.02 -1.26 0.28 119.74 127.62 2qoz s LYS 60 Ca -0.04 0.23 -0.29 0.00 0.02 0.00 0.00 55.97 55.89 2qoz s LYS 60 Cb -0.19 -2.59 0.08 0.00 -0.52 0.00 0.00 37.83 34.61 2qoz s LYS 60 CO -0.07 0.21 0.71 0.00 -0.92 0.00 0.00 175.35 175.28 2qoz s ALA 61 N -2.02 -1.75 -0.08 5.17 0.00 0.16 0.78 121.76 124.02 2qoz s ALA 61 Ca 0.47 1.10 -0.04 0.00 0.00 0.00 0.00 51.96 53.49 2qoz s ALA 61 Cb -0.11 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 2qoz s ALA 61 CO 0.26 -0.49 0.10 -2.00 0.00 0.00 0.00 175.76 173.62 2qoz s GLU 62 N -2.02 3.27 -0.29 0.00 2.56 -1.26 0.14 118.70 121.11 2qoz s GLU 62 Ca -0.05 -0.27 -0.29 0.00 0.00 0.00 0.00 54.97 54.35 2qoz s GLU 62 Cb -0.00 -3.03 -0.00 0.00 2.00 0.00 0.00 34.13 33.09 2qoz s GLU 62 CO 0.01 0.73 1.38 0.14 -0.56 0.00 0.00 175.26 176.96 2qoz s VAL 63 N -1.05 4.03 -1.26 3.70 -7.23 -0.91 -1.42 120.40 116.26 2qoz s VAL 63 Ca 0.17 1.15 -0.06 0.00 -1.81 0.00 0.00 61.98 61.43 2qoz s VAL 63 Cb -0.12 -4.05 0.17 0.00 0.56 0.00 0.00 36.38 32.94 2qoz s VAL 63 CO 0.06 -0.45 2.07 0.52 -0.31 0.00 0.00 175.10 176.99 2qoz n VAL 64 N 6.30 4.97 -0.86 1.32 0.31 -0.69 -4.46 118.33 125.22 2qoz n VAL 64 Ca 0.16 -4.62 0.10 0.00 -0.01 0.00 0.00 64.34 59.97 2qoz n VAL 64 Cb 0.46 -2.15 -0.05 0.00 -0.91 0.00 0.00 33.84 31.19 2qoz n VAL 64 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qoz n ALA 65 N 2.38 -2.25 -3.29 3.52 0.00 -1.26 -4.47 120.51 115.14 2qoz n ALA 65 Ca 0.49 0.54 0.00 0.00 0.00 0.00 0.00 53.44 54.47 2qoz n ALA 65 Cb 0.30 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.82 2qoz n ALA 65 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2qoz n HIS 66 N -3.42 -1.80 0.00 0.00 8.25 -1.26 -2.52 115.22 114.47 2qoz n HIS 66 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 2qoz n HIS 66 Cb 0.41 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.52 2qoz n HIS 66 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qoz n GLY 67 N 5.00 1.89 3.07 -1.41 0.00 -0.99 -4.96 105.19 107.79 2qoz n GLY 67 Ca 0.00 -1.43 -0.28 0.00 0.00 0.00 0.00 46.02 44.31 2qoz n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qoz s ARG 68 N -1.89 2.24 1.22 1.61 0.52 -1.26 -1.63 118.95 119.76 2qoz s ARG 68 Ca 0.00 -0.58 -0.18 0.00 -0.52 0.00 0.00 55.73 54.45 2qoz s ARG 68 Cb 0.00 -1.86 0.25 0.00 0.52 0.00 0.00 34.95 33.87 2qoz s ARG 68 CO 0.00 -0.01 0.58 0.41 0.02 0.00 0.00 175.30 176.30 2qoz n GLY 69 N 4.04 -2.80 3.16 -3.53 0.00 -0.45 -4.96 105.19 100.65 2qoz n GLY 69 Ca -0.20 -1.17 -0.25 0.00 0.00 0.00 0.00 46.02 44.40 2qoz n GLY 69 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2qoz n GLU 70 N -3.87 -2.82 -3.54 1.61 -0.00 -1.26 -4.61 120.64 106.14 2qoz n GLU 70 Ca 0.06 -0.83 -0.37 0.00 -0.00 0.00 0.00 57.16 56.02 2qoz n GLU 70 Cb 0.54 -1.70 -0.07 0.00 -0.00 0.00 0.00 31.44 30.22 2qoz n GLU 70 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 2qoz s LYS 71 N -3.94 4.17 -0.13 3.44 2.20 -1.26 -4.26 119.74 119.97 2qoz s LYS 71 Ca 0.51 0.13 -0.04 0.00 -0.36 0.00 0.00 55.97 56.21 2qoz s LYS 71 Cb -0.11 -3.39 -0.03 0.00 -1.51 0.00 0.00 37.83 32.79 2qoz s LYS 71 CO 0.49 0.31 0.02 0.14 -0.36 0.00 0.00 175.35 175.96 2qoz s VAL 72 N 0.22 4.48 -0.14 4.02 -7.23 0.44 -4.92 120.40 117.27 2qoz s VAL 72 Ca 0.18 -0.17 -0.20 0.00 -1.81 0.00 0.00 61.98 59.98 2qoz s VAL 72 Cb -0.13 -2.95 -0.04 0.00 0.56 0.00 0.00 36.38 33.82 2qoz s VAL 72 CO 0.05 0.54 0.55 -0.54 -0.31 0.00 0.00 175.10 175.39 2qoz s LYS 73 N -0.28 4.31 -0.35 4.82 -0.14 -1.26 -1.15 119.74 125.68 2qoz s LYS 73 Ca 0.07 0.55 -0.01 0.00 -1.36 0.00 0.00 55.97 55.22 2qoz s LYS 73 Cb -0.12 -3.48 0.08 0.00 -1.68 0.00 0.00 37.83 32.63 2qoz s LYS 73 CO 0.02 0.02 0.09 0.42 -0.76 0.00 0.00 175.35 175.14 2qoz s ILE 74 N 1.06 2.94 -0.02 2.17 1.01 0.18 -5.00 121.20 123.53 2qoz s ILE 74 Ca 0.28 -1.85 -0.02 0.00 0.00 0.00 0.00 60.65 59.05 2qoz s ILE 74 Cb -0.16 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 2qoz s ILE 74 CO 0.12 -0.44 0.15 -0.69 0.00 0.00 0.00 174.94 174.08 2qoz s VAL 75 N 1.13 5.24 -0.43 2.92 1.01 -1.26 -0.07 120.40 128.94 2qoz s VAL 75 Ca 0.03 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 61.86 2qoz s VAL 75 Cb -0.21 -3.41 0.17 0.00 0.00 0.00 0.00 36.38 32.93 2qoz s VAL 75 CO -0.04 0.36 0.42 -0.54 0.00 0.00 0.00 175.10 175.30 2qoz s LYS 76 N -1.78 0.92 -0.12 2.72 1.02 0.57 -4.95 119.74 118.12 2qoz s LYS 76 Ca 0.25 -1.86 -0.02 0.00 0.02 0.00 0.00 55.97 54.36 2qoz s LYS 76 Cb -0.12 -1.12 -0.03 0.00 -0.52 0.00 0.00 37.83 36.04 2qoz s LYS 76 CO 0.16 -1.37 -0.04 0.12 -0.92 0.00 0.00 175.35 173.30 2qoz s PHE 77 N 0.27 3.03 -0.24 3.18 2.19 -1.26 -0.10 117.98 125.04 2qoz s PHE 77 Ca 0.32 -0.13 0.01 0.00 0.33 0.00 0.00 56.93 57.46 2qoz s PHE 77 Cb 0.02 -1.87 0.06 0.00 -1.31 0.00 0.00 43.02 39.93 2qoz s PHE 77 CO -0.16 0.15 -0.07 0.50 1.83 0.00 0.00 175.22 177.47 2qoz s ARG 78 N -0.15 1.78 0.95 10.12 3.52 -1.02 -5.00 118.95 129.15 2qoz s ARG 78 Ca 0.03 -1.10 -0.10 0.00 -0.13 0.00 0.00 55.73 54.42 2qoz s ARG 78 Cb -0.13 -2.68 0.17 0.00 -1.56 0.00 0.00 34.95 30.75 2qoz s ARG 78 CO 0.02 -0.60 1.13 -0.98 -0.81 0.00 0.00 175.30 174.07 2qoz s ARG 79 N 1.31 0.72 -1.22 5.12 1.70 -1.26 -3.12 118.95 122.19 2qoz s ARG 79 Ca -0.06 1.48 0.00 0.00 -0.47 0.00 0.00 55.73 56.68 2qoz s ARG 79 Cb -0.19 -1.70 0.00 0.00 -0.57 0.00 0.00 34.95 32.49 2qoz s ARG 79 CO -0.06 -2.82 0.00 0.54 -1.08 0.00 0.00 175.30 171.88 2qoz n ARG 80 N -4.36 -1.62 0.00 3.89 1.74 -1.26 -4.85 116.66 110.20 2qoz n ARG 80 Ca 0.11 0.84 0.00 0.00 -0.77 0.00 0.00 57.85 58.03 2qoz n ARG 80 Cb 0.52 -5.14 0.00 0.00 -1.02 0.00 0.00 32.46 26.82 2qoz n ARG 80 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2qoz n LYS 81 N -1.07 0.57 -0.01 5.56 4.76 -1.18 -5.10 118.16 121.69 2qoz n LYS 81 Ca -0.12 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.31 2qoz n LYS 81 Cb 0.54 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.72 2qoz n LYS 81 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2qoz n HIS 82 N 0.00 0.00 -0.96 2.13 8.25 -1.26 -5.03 115.22 118.35 2qoz n HIS 82 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 2qoz n HIS 82 Cb 0.00 -0.06 -0.05 0.00 1.12 0.00 0.00 29.99 30.99 2qoz n HIS 82 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2qoz n TYR 83 N -2.86 0.55 -3.15 4.41 -0.00 -1.26 -4.87 117.16 109.98 2qoz n TYR 83 Ca -0.03 0.67 0.05 0.00 -0.00 0.00 0.00 57.90 58.58 2qoz n TYR 83 Cb 0.53 -1.31 -0.01 0.00 -0.00 0.00 0.00 39.34 38.55 2qoz n TYR 83 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.86 177.36 2qoz s ARG 84 N 0.41 0.32 0.19 2.98 3.00 -1.22 -2.43 118.95 122.20 2qoz s ARG 84 Ca 0.58 0.43 0.09 0.00 -1.00 0.00 0.00 55.73 55.83 2qoz s ARG 84 Cb -0.81 0.22 -0.04 0.00 0.00 0.00 0.00 34.95 34.31 2qoz s ARG 84 CO 0.39 -0.48 -0.13 0.15 0.00 0.00 0.00 175.30 175.23 2qoz s LYS 85 N 2.91 1.94 -0.42 5.12 1.02 0.85 -4.95 119.74 126.23 2qoz s LYS 85 Ca 0.14 -1.34 0.04 0.00 0.02 0.00 0.00 55.97 54.84 2qoz s LYS 85 Cb -0.08 -2.08 0.17 0.00 -0.52 0.00 0.00 37.83 35.31 2qoz s LYS 85 CO -0.20 0.42 0.44 -0.65 -0.92 0.00 0.00 175.35 174.44 2qoz s GLN 86 N -2.84 0.82 0.02 1.68 -0.21 -1.25 -0.31 119.66 117.57 2qoz s GLN 86 Ca 0.24 -1.32 -0.05 0.00 0.02 0.00 0.00 55.36 54.26 2qoz s GLN 86 Cb -0.08 -0.81 -0.05 0.00 1.00 0.00 0.00 33.01 33.07 2qoz s GLN 86 CO 0.14 -1.29 0.25 -1.14 -2.12 0.00 0.00 175.29 171.14 2qoz s GLN 87 N 0.86 3.54 0.11 2.91 0.74 0.91 -4.90 119.66 123.83 2qoz s GLN 87 Ca 0.25 -0.15 0.06 0.00 0.05 0.00 0.00 55.36 55.56 2qoz s GLN 87 Cb -0.06 -3.06 -0.04 0.00 1.10 0.00 0.00 33.01 30.95 2qoz s GLN 87 CO -0.08 0.64 -0.01 0.20 -0.55 0.00 0.00 175.29 175.49 2qoz s GLY 88 N -1.86 1.87 0.02 2.59 0.00 -1.26 0.47 107.32 109.15 2qoz s GLY 88 Ca 0.29 -1.18 -0.03 0.00 0.00 0.00 0.00 44.72 43.80 2qoz s GLY 88 CO 0.18 -1.16 0.05 -1.58 0.00 0.00 0.00 173.10 170.59 2qoz s HIS 89 N -1.38 0.21 0.00 1.90 2.46 -0.30 -4.96 115.29 113.21 2qoz s HIS 89 Ca 0.26 -0.46 0.00 0.00 0.47 0.00 0.00 55.06 55.33 2qoz s HIS 89 Cb -0.11 -0.16 0.00 0.00 -0.13 0.00 0.00 32.58 32.18 2qoz s HIS 89 CO 0.18 -0.28 0.00 0.54 -2.47 0.00 0.00 174.74 172.71 2qoz n ARG 90 N 1.22 0.69 -0.78 2.88 1.74 -1.26 0.17 116.66 121.32 2qoz n ARG 90 Ca -0.22 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.86 2qoz n ARG 90 Cb 0.57 -0.82 0.00 0.00 -1.02 0.00 0.00 32.46 31.19 2qoz n ARG 90 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2qoz n GLN 91 N -1.94 -2.19 -2.34 5.56 -0.06 -1.26 -3.28 117.38 111.86 2qoz n GLN 91 Ca 0.00 1.60 -0.24 0.00 -2.00 0.00 0.00 57.00 56.36 2qoz n GLN 91 Cb 0.32 -1.78 0.06 0.00 -4.06 0.00 0.00 30.24 24.78 2qoz n GLN 91 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 2qoz s TRP 92 N -1.85 2.91 -0.28 3.69 0.52 -1.26 -1.34 118.94 121.34 2qoz s TRP 92 Ca 0.00 0.32 -0.28 0.00 0.02 0.00 0.00 56.10 56.16 2qoz s TRP 92 Cb 0.00 -3.05 0.19 0.00 -1.15 0.00 0.00 33.47 29.46 2qoz s TRP 92 CO 0.00 -1.23 1.35 -0.59 0.02 0.00 0.00 176.95 176.50 2qoz s PHE 93 N -3.09 -0.08 0.47 -1.98 -0.12 -0.65 -4.59 117.98 107.94 2qoz s PHE 93 Ca 0.59 0.16 0.03 0.00 -0.05 0.00 0.00 56.93 57.66 2qoz s PHE 93 Cb -0.11 0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 42.73 2qoz s PHE 93 CO 0.43 -0.06 0.01 0.95 -0.05 0.00 0.00 175.22 176.50 2qoz s THR 94 N -0.66 1.39 0.19 -4.49 -4.23 -1.08 -2.36 115.64 104.40 2qoz s THR 94 Ca 0.07 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.62 2qoz s THR 94 Cb -0.02 -2.44 -0.05 0.00 1.34 0.00 0.00 72.50 71.33 2qoz s THR 94 CO -0.10 0.00 -0.06 -1.81 -0.54 0.00 0.00 174.62 172.12 2qoz s ASP 95 N -3.80 1.80 -0.05 3.99 1.01 -1.05 -2.27 116.67 116.29 2qoz s ASP 95 Ca 0.16 -1.11 -0.20 0.00 0.71 0.00 0.00 52.55 52.12 2qoz s ASP 95 Cb 0.04 0.00 0.04 0.00 1.01 0.00 0.00 42.92 44.02 2qoz s ASP 95 CO 0.08 -0.42 0.44 0.68 0.21 0.00 0.00 175.17 176.17 2qoz s VAL 96 N -3.38 0.03 -0.04 -1.27 -7.23 -0.63 -1.70 120.40 106.18 2qoz s VAL 96 Ca 0.22 -0.26 0.21 0.00 -1.81 0.00 0.00 61.98 60.35 2qoz s VAL 96 Cb 0.04 -0.73 -0.32 0.00 0.56 0.00 0.00 36.38 35.92 2qoz s VAL 96 CO 0.04 -0.14 0.44 1.17 -0.31 0.00 0.00 175.10 176.31 2qoz n LYS 97 N 1.44 0.65 -1.55 4.82 4.81 -0.51 -1.01 118.16 126.82 2qoz n LYS 97 Ca -0.19 -0.18 0.00 0.00 -0.87 0.00 0.00 58.31 57.06 2qoz n LYS 97 Cb 0.56 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.11 2qoz n LYS 97 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2qoz n ILE 98 N -2.26 -9.40 -2.04 3.15 -0.00 -1.26 -3.68 119.36 103.87 2qoz n ILE 98 Ca -0.05 2.17 -0.01 0.00 -0.00 0.00 0.00 62.75 64.86 2qoz n ILE 98 Cb 0.58 -4.37 -0.01 0.00 -0.00 0.00 0.00 39.64 35.84 2qoz n ILE 98 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 2qoz n THR 99 N 1.21 0.00 0.00 1.39 -2.24 0.23 -2.88 114.28 111.99 2qoz n THR 99 Ca 0.00 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2qoz n THR 99 Cb 0.00 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 2qoz n THR 99 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qoz n GLY 100 N 0.04 1.12 2.50 3.38 0.00 0.14 -4.56 105.19 107.82 2qoz n GLY 100 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.96 2qoz n GLY 100 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2qoz n ILE 101 N 0.00-13.13 -2.68 -0.61 2.08 -1.10 -4.73 119.36 99.18 2qoz n ILE 101 Ca 0.00 2.96 0.00 0.00 0.56 0.00 0.00 62.75 66.27 2qoz n ILE 101 Cb 0.00 -6.34 0.00 0.00 -0.75 0.00 0.00 39.64 32.55 2qoz n ILE 101 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 2qoz n SER 102 N 1.80 0.00 0.00 4.38 3.41 -1.23 -5.00 113.62 116.97 2qoz n SER 102 Ca -0.24 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 2qoz n SER 102 Cb 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 2qoz n SER 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88