#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xee n SER 32 N 0.00 0.00 0.25 1.20 7.64 -1.26 -4.36 113.62 117.09 1xee n SER 32 Ca 0.00 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.01 1xee n SER 32 Cb 0.00 0.00 0.56 0.00 -1.01 0.00 0.00 64.21 63.76 1xee n SER 32 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1xee h GLY 33 N 0.00 0.00 -7.54 0.23 0.00 -2.13 -3.36 103.07 90.27 1xee h GLY 33 Ca 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.63 1xee h GLY 33 CO 0.00 0.00 -0.37 1.08 0.00 0.00 0.00 176.54 177.25 1xee s LEU 34 N -6.54 5.32 -0.64 3.11 1.43 -1.26 -5.05 118.68 115.05 1xee s LEU 34 Ca 0.01 -2.71 -0.27 0.00 -1.03 0.00 0.00 54.13 50.13 1xee s LEU 34 Cb 0.10 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 1xee s LEU 34 CO 0.59 -0.41 1.77 -2.84 0.23 0.00 0.00 176.35 175.69 1xee s PRO 35 N 0.15 2.72 -1.10 1.29 0.02 -1.26 -4.88 135.00 131.94 1xee s PRO 35 Ca 0.15 0.45 -0.17 0.00 0.02 0.00 0.00 61.00 61.46 1xee s PRO 35 Cb -0.20 -4.37 0.13 0.00 0.02 0.00 0.00 34.50 30.08 1xee s PRO 35 CO -0.04 -2.65 1.37 0.99 -0.33 0.00 0.00 177.00 176.35 1xee s THR 36 N 8.54 4.68 0.42 0.99 2.01 -1.26 -4.81 115.64 126.21 1xee s THR 36 Ca 0.62 -1.97 0.08 0.00 0.31 0.00 0.00 61.69 60.72 1xee s THR 36 Cb -0.12 -4.92 -0.02 0.00 0.01 0.00 0.00 72.50 67.45 1xee s THR 36 CO 0.19 -1.67 0.37 0.42 -0.69 0.00 0.00 174.62 173.24 1xee s THR 37 N 2.68 2.63 0.16 -0.82 -4.23 -1.26 -4.01 115.64 110.79 1xee s THR 37 Ca 0.41 -1.36 -0.23 0.00 -1.18 0.00 0.00 61.69 59.34 1xee s THR 37 Cb -0.02 -2.99 0.04 0.00 1.34 0.00 0.00 72.50 70.87 1xee s THR 37 CO -0.03 0.00 1.61 0.25 -0.54 0.00 0.00 174.62 175.91 1xee h LEU 38 N 1.04 -0.93 -1.33 4.79 5.85 -0.14 -0.58 115.31 124.02 1xee h LEU 38 Ca -0.41 0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 1xee h LEU 38 Cb 1.27 0.44 -0.02 0.00 0.37 0.00 0.00 40.66 42.71 1xee h LEU 38 CO 0.58 -0.30 0.10 1.23 -0.34 0.00 0.00 178.44 179.71 1xee h GLY 39 N -0.26 0.60 0.92 3.75 0.00 -1.04 0.29 103.07 107.33 1xee h GLY 39 Ca 0.15 -0.30 -0.15 0.00 0.00 0.00 0.00 47.33 47.03 1xee h GLY 39 CO -0.46 0.29 -0.49 0.50 0.00 0.00 0.00 176.54 176.38 1xee h LYS 40 N 0.55 0.57 0.45 4.80 1.79 -1.60 -2.27 116.57 120.85 1xee h LYS 40 Ca 0.13 -0.43 -0.01 0.00 -2.18 0.00 0.00 60.65 58.16 1xee h LYS 40 Cb 0.20 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 1xee h LYS 40 CO -0.01 1.05 -0.34 1.25 -1.08 0.00 0.00 179.45 180.33 1xee h LEU 41 N 0.21 -0.90 0.00 2.94 5.85 -1.03 -2.53 115.31 119.84 1xee h LEU 41 Ca -0.02 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1xee h LEU 41 Cb 1.12 0.29 0.00 0.00 0.37 0.00 0.00 40.66 42.43 1xee h LEU 41 CO 0.10 -0.51 0.00 -0.67 -0.34 0.00 0.00 178.44 177.02 1xee n ASP 42 N -5.47 0.00 -0.29 1.25 2.03 0.10 0.03 116.55 114.21 1xee n ASP 42 Ca -0.11 0.59 0.10 0.00 0.52 0.00 0.00 54.79 55.89 1xee n ASP 42 Cb 0.36 -0.28 0.24 0.00 -0.72 0.00 0.00 41.12 40.72 1xee n ASP 42 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1xee h GLU 43 N 0.00 0.16 -0.13 -0.67 4.57 -1.45 -0.55 114.58 116.51 1xee h GLU 43 Ca 0.00 -0.01 -0.21 0.00 -1.18 0.00 0.00 59.36 57.96 1xee h GLU 43 Cb 0.00 -0.04 0.01 0.00 -0.16 0.00 0.00 28.75 28.56 1xee h GLU 43 CO 0.00 0.11 -0.78 -0.09 -1.18 0.00 0.00 179.01 177.07 1xee h ARG 44 N 0.17 0.67 -0.30 1.92 2.43 -0.91 -1.97 114.38 116.40 1xee h ARG 44 Ca 0.50 -0.56 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1xee h ARG 44 Cb 0.98 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 1xee h ARG 44 CO -0.67 1.17 0.11 -0.07 -1.51 0.00 0.00 179.97 179.00 1xee h LEU 45 N 0.46 0.42 -0.52 3.80 3.38 -0.20 -1.06 115.31 121.58 1xee h LEU 45 Ca -0.05 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 1xee h LEU 45 Cb 1.39 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 1xee h LEU 45 CO 0.15 0.49 0.13 0.03 0.09 0.00 0.00 178.44 179.34 1xee h ARG 46 N 0.33 0.83 -0.93 1.13 3.08 -1.07 -2.37 114.38 115.38 1xee h ARG 46 Ca 0.10 -0.19 0.08 0.00 0.07 0.00 0.00 59.98 60.03 1xee h ARG 46 Cb 0.21 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.09 1xee h ARG 46 CO -0.01 0.78 0.60 -0.91 -1.07 0.00 0.00 179.97 179.37 1xee h ASN 47 N 0.72 0.91 -0.89 7.04 2.35 -1.24 -2.56 115.58 121.91 1xee h ASN 47 Ca 0.16 0.01 0.19 0.00 -0.55 0.00 0.00 56.30 56.12 1xee h ASN 47 Cb 0.32 -0.18 -0.11 0.00 0.05 0.00 0.00 38.32 38.40 1xee h ASN 47 CO 0.00 0.57 0.44 1.88 -1.65 0.00 0.00 177.43 178.67 1xee h TYR 48 N 1.02 0.75 -0.16 1.19 0.05 -0.65 0.34 116.97 119.52 1xee h TYR 48 Ca 0.41 0.04 -0.07 0.00 0.05 0.00 0.00 58.73 59.16 1xee h TYR 48 Cb 0.26 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 1xee h TYR 48 CO -0.00 0.07 -0.22 -0.07 -1.05 0.00 0.00 178.16 176.90 1xee h LEU 49 N 0.53 0.26 0.08 3.88 3.38 -1.36 -1.73 115.31 120.36 1xee h LEU 49 Ca 0.52 -0.07 -0.22 0.00 0.09 0.00 0.00 57.88 58.21 1xee h LEU 49 Cb 0.89 -0.07 0.02 0.00 0.09 0.00 0.00 40.66 41.59 1xee h LEU 49 CO -0.45 0.50 -0.90 0.11 0.09 0.00 0.00 178.44 177.79 1xee h LYS 50 N 0.25 0.47 0.00 1.13 6.56 -1.03 0.27 116.57 124.21 1xee h LYS 50 Ca 0.04 -0.61 0.00 0.00 -1.06 0.00 0.00 60.65 59.02 1xee h LYS 50 Cb 0.53 0.20 0.00 0.00 -0.57 0.00 0.00 32.23 32.39 1xee h LYS 50 CO 0.04 1.25 0.00 1.57 -2.06 0.00 0.00 179.45 180.24 1xee h LYS 51 N -0.03 0.00 0.00 3.15 2.10 -0.99 -3.36 116.57 117.44 1xee h LYS 51 Ca -0.13 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.34 1xee h LYS 51 Cb 1.62 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.93 1xee h LYS 51 CO 0.17 0.00 -1.18 0.41 -2.00 0.00 0.00 179.45 176.85 1xee n GLY 52 N -0.26 -0.81 3.02 0.07 0.00 -0.65 -4.97 105.19 101.58 1xee n GLY 52 Ca -0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 1xee n GLY 52 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xee s THR 53 N -2.38 0.07 -2.03 2.61 -1.32 0.89 -5.06 115.64 108.43 1xee s THR 53 Ca -0.26 -0.59 0.11 0.00 -1.21 0.00 0.00 61.69 59.74 1xee s THR 53 Cb 0.06 -0.28 0.31 0.00 -1.51 0.00 0.00 72.50 71.08 1xee s THR 53 CO 0.46 -0.32 1.28 2.29 -2.21 0.00 0.00 174.62 176.11 1xee n LYS 54 N 1.94 1.74 -1.39 7.08 0.00 -1.26 -4.28 118.16 121.98 1xee n LYS 54 Ca -0.20 -1.14 -0.01 0.00 -0.00 0.00 0.00 58.31 56.96 1xee n LYS 54 Cb 0.56 -1.27 0.10 0.00 -0.00 0.00 0.00 35.03 34.43 1xee n LYS 54 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1xee n ASN 55 N 0.42 2.08 0.26 -5.58 0.23 -1.26 -4.69 115.26 106.72 1xee n ASN 55 Ca 0.11 -3.11 0.18 0.00 -0.53 0.00 0.00 54.58 51.23 1xee n ASN 55 Cb 0.28 -0.42 0.86 0.00 -2.08 0.00 0.00 39.78 38.41 1xee n ASN 55 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1xee h SER 56 N 1.42 0.00 0.17 0.53 4.64 -1.89 -1.38 113.55 117.04 1xee h SER 56 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1xee h SER 56 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1xee h SER 56 CO 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.15 1xee n ALA 57 N -1.99 1.87 0.77 5.18 0.00 -1.26 -1.82 120.51 123.27 1xee n ALA 57 Ca -0.01 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.48 1xee n ALA 57 Cb 0.15 -1.23 0.22 0.00 0.00 0.00 0.00 19.45 18.59 1xee n ALA 57 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1xee n GLN 58 N -1.19 0.16 -3.27 0.00 7.27 -0.52 -4.84 117.38 114.99 1xee n GLN 58 Ca 0.08 0.04 -0.38 0.00 0.07 0.00 0.00 57.00 56.81 1xee n GLN 58 Cb 0.09 -1.59 -0.06 0.00 2.41 0.00 0.00 30.24 31.09 1xee n GLN 58 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 1xee s PHE 59 N -3.09 3.52 -0.02 3.69 0.08 -0.75 -0.53 117.98 120.87 1xee s PHE 59 Ca 0.08 0.94 -0.04 0.00 0.12 0.00 0.00 56.93 58.04 1xee s PHE 59 Cb 0.15 -2.60 -0.28 0.00 -0.57 0.00 0.00 43.02 39.73 1xee s PHE 59 CO 0.71 0.14 0.77 1.49 -0.10 0.00 0.00 175.22 178.23 1xee h GLU 60 N 6.76 0.26 -3.05 0.44 4.81 -1.04 -3.43 114.58 119.33 1xee h GLU 60 Ca -0.41 -0.44 0.02 0.00 -0.13 0.00 0.00 59.36 58.41 1xee h GLU 60 Cb 1.18 0.16 -0.08 0.00 0.63 0.00 0.00 28.75 30.64 1xee h GLU 60 CO 0.76 1.11 0.19 -1.59 -0.73 0.00 0.00 179.01 178.75 1xee s LYS 61 N -2.60 1.55 -0.02 1.92 -2.85 -1.17 -1.13 119.74 115.44 1xee s LYS 61 Ca -0.11 -0.79 0.02 0.00 -1.00 0.00 0.00 55.97 54.09 1xee s LYS 61 Cb 0.07 0.59 0.00 0.00 -2.06 0.00 0.00 37.83 36.43 1xee s LYS 61 CO 0.84 -0.69 -0.07 0.00 0.10 0.00 0.00 175.35 175.53 1xee s MET 62 N -3.85 0.69 -0.27 1.78 0.23 0.11 -0.14 119.30 117.85 1xee s MET 62 Ca 0.07 -0.24 -0.06 0.00 -1.03 0.00 0.00 55.69 54.43 1xee s MET 62 Cb -0.03 -0.67 -0.00 0.00 -1.53 0.00 0.00 34.83 32.59 1xee s MET 62 CO -0.02 0.11 0.04 0.08 -2.03 0.00 0.00 175.02 173.20 1xee s VAL 63 N 0.08 3.82 -0.33 5.16 1.01 0.12 -0.41 120.40 129.86 1xee s VAL 63 Ca -0.01 -0.56 -0.14 0.00 0.00 0.00 0.00 61.98 61.27 1xee s VAL 63 Cb -0.06 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 1xee s VAL 63 CO -0.00 0.22 0.30 -0.63 0.00 0.00 0.00 175.10 174.99 1xee s ILE 64 N 1.51 5.22 -0.21 2.22 1.01 0.17 -0.51 121.20 130.61 1xee s ILE 64 Ca 0.04 0.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.62 1xee s ILE 64 Cb -0.16 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 1xee s ILE 64 CO 0.01 0.00 0.16 -0.76 0.00 0.00 0.00 174.94 174.35 1xee s LEU 65 N 1.90 4.19 0.00 2.97 1.43 0.71 -0.56 118.68 129.32 1xee s LEU 65 Ca 0.10 0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 1xee s LEU 65 Cb -0.17 -2.13 -0.00 0.00 0.03 0.00 0.00 46.19 43.92 1xee s LEU 65 CO 0.11 0.14 0.05 0.35 0.23 0.00 0.00 176.35 177.23 1xee n THR 66 N 3.72 0.00 -0.76 5.49 -2.24 -0.76 0.37 114.28 120.10 1xee n THR 66 Ca -0.15 -1.69 -0.30 0.00 -2.27 0.00 0.00 64.05 59.63 1xee n THR 66 Cb 0.52 0.46 0.26 0.00 -2.10 0.00 0.00 70.33 69.48 1xee n THR 66 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1xee s GLU 67 N -3.21 -2.09 0.23 -0.78 2.02 -0.92 -3.06 118.70 110.90 1xee s GLU 67 Ca 0.07 -0.00 0.00 0.00 0.02 0.00 0.00 54.97 55.06 1xee s GLU 67 Cb 0.00 -1.49 0.00 0.00 0.10 0.00 0.00 34.13 32.74 1xee s GLU 67 CO 0.05 -4.30 0.00 0.09 0.02 0.00 0.00 175.26 171.12 1xee n ASN 68 N -5.19 0.00 -2.69 -0.19 3.02 0.18 -1.82 115.26 108.57 1xee n ASN 68 Ca 0.13 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.64 1xee n ASN 68 Cb 0.60 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.88 1xee n ASN 68 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1xee n LYS 69 N 0.00 1.31 -2.80 3.52 5.02 -1.18 -3.73 118.16 120.29 1xee n LYS 69 Ca 0.00 -1.68 -0.43 0.00 -2.02 0.00 0.00 58.31 54.18 1xee n LYS 69 Cb 0.00 0.05 -0.04 0.00 -0.02 0.00 0.00 35.03 35.02 1xee n LYS 69 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1xee s GLY 70 N -1.40 1.57 -0.15 0.72 0.00 -0.75 -4.95 107.32 102.35 1xee s GLY 70 Ca 0.16 -0.45 -0.02 0.00 0.00 0.00 0.00 44.72 44.41 1xee s GLY 70 CO -0.10 2.02 0.02 -0.47 0.00 0.00 0.00 173.10 174.57 1xee s TYR 71 N 3.49 0.92 -0.01 1.90 5.04 -1.25 -1.83 117.35 125.62 1xee s TYR 71 Ca 0.38 -0.64 0.02 0.00 -2.44 0.00 0.00 57.07 54.40 1xee s TYR 71 Cb -0.12 -0.96 -0.00 0.00 0.35 0.00 0.00 41.96 41.23 1xee s TYR 71 CO 0.19 -0.52 -0.07 0.71 -1.34 0.00 0.00 175.55 174.51 1xee s TYR 72 N 1.89 0.70 -0.10 4.97 2.02 0.28 -4.97 117.35 122.15 1xee s TYR 72 Ca 0.01 -0.14 0.03 0.00 -0.37 0.00 0.00 57.07 56.60 1xee s TYR 72 Cb -0.15 -0.47 -0.01 0.00 -0.40 0.00 0.00 41.96 40.93 1xee s TYR 72 CO -0.07 -0.03 -0.21 0.99 -1.57 0.00 0.00 175.55 174.66 1xee s THR 73 N -0.07 2.36 -0.18 -0.71 2.01 -1.26 -0.66 115.64 117.14 1xee s THR 73 Ca 0.01 -0.92 -0.04 0.00 0.31 0.00 0.00 61.69 61.05 1xee s THR 73 Cb -0.04 -1.92 0.06 0.00 0.01 0.00 0.00 72.50 70.61 1xee s THR 73 CO -0.00 0.55 0.06 -0.69 -0.69 0.00 0.00 174.62 173.85 1xee s VAL 74 N 0.20 0.25 -0.54 3.82 1.01 0.45 -4.97 120.40 120.61 1xee s VAL 74 Ca -0.13 -0.36 -0.28 0.00 0.00 0.00 0.00 61.98 61.22 1xee s VAL 74 Cb -0.16 -0.81 0.01 0.00 0.00 0.00 0.00 36.38 35.42 1xee s VAL 74 CO 0.07 -0.22 1.41 -0.31 0.00 0.00 0.00 175.10 176.04 1xee s TYR 75 N 1.99 2.31 0.42 5.22 2.02 -1.26 0.05 117.35 128.09 1xee s TYR 75 Ca 0.01 0.50 0.34 0.00 -0.37 0.00 0.00 57.07 57.54 1xee s TYR 75 Cb -0.16 -4.39 1.17 0.00 -0.40 0.00 0.00 41.96 38.18 1xee s TYR 75 CO -0.08 -1.96 1.11 1.28 -1.57 0.00 0.00 175.55 174.33 1xee n LEU 76 N 9.46 0.00 0.16 -1.29 4.77 -0.28 -0.58 117.00 129.24 1xee n LEU 76 Ca 0.13 0.70 0.04 0.00 -0.03 0.00 0.00 56.01 56.85 1xee n LEU 76 Cb 0.49 -0.33 0.15 0.00 -2.33 0.00 0.00 43.42 41.40 1xee n LEU 76 CO 0.71 -0.70 0.56 -1.13 -1.33 0.00 0.00 177.39 175.50 1xee h ASN 77 N 0.00 0.00 -3.98 -1.43 -1.24 -1.80 -3.45 115.58 103.69 1xee h ASN 77 Ca 0.64 0.00 -0.69 0.00 0.71 0.00 0.00 56.30 56.96 1xee h ASN 77 Cb 2.68 0.00 -0.23 0.00 0.73 0.00 0.00 38.32 41.50 1xee h ASN 77 CO -0.01 0.44 -0.77 0.42 -1.29 0.00 0.00 177.43 176.23 1xee s THR 78 N -3.20 3.08 0.05 -3.57 -4.23 0.25 -5.10 115.64 102.93 1xee s THR 78 Ca 0.03 -0.71 -0.30 0.00 -1.18 0.00 0.00 61.69 59.52 1xee s THR 78 Cb 0.09 -2.21 -0.05 0.00 1.34 0.00 0.00 72.50 71.67 1xee s THR 78 CO 0.72 0.59 1.07 -2.16 -0.54 0.00 0.00 174.62 174.30 1xee s PRO 79 N -0.67 4.53 -0.13 3.99 0.04 -1.26 -4.69 135.00 136.80 1xee s PRO 79 Ca 0.10 1.58 -0.29 0.00 0.04 0.00 0.00 61.00 62.43 1xee s PRO 79 Cb -0.11 -3.39 -0.04 0.00 0.04 0.00 0.00 34.50 31.00 1xee s PRO 79 CO 0.01 -0.09 1.58 -1.17 0.04 0.00 0.00 177.00 177.36 1xee s LEU 80 N 0.80 4.15 0.67 -3.56 2.96 -1.26 -4.97 118.68 117.47 1xee s LEU 80 Ca 0.54 1.94 -0.17 0.00 -0.22 0.00 0.00 54.13 56.21 1xee s LEU 80 Cb -0.25 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 42.82 1xee s LEU 80 CO 0.29 -1.01 0.27 0.00 -1.32 0.00 0.00 176.35 174.58 1xee n ALA 81 N 7.50 -2.14 0.17 5.97 0.00 -1.26 -4.81 120.51 125.94 1xee n ALA 81 Ca 0.17 -0.20 0.03 0.00 0.00 0.00 0.00 53.44 53.44 1xee n ALA 81 Cb 0.44 -1.69 0.28 0.00 0.00 0.00 0.00 19.45 18.48 1xee n ALA 81 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1xee h GLU 82 N -0.24 0.00 0.00 0.00 9.09 -1.99 0.27 114.58 121.71 1xee h GLU 82 Ca -0.44 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 58.86 1xee h GLU 82 Cb 1.37 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.46 1xee h GLU 82 CO 0.41 0.45 -0.51 0.38 0.05 0.00 0.00 179.01 179.80 1xee h ASP 83 N 0.00 0.00 0.98 3.06 2.03 -1.99 -0.67 116.42 119.83 1xee h ASP 83 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1xee h ASP 83 Cb 0.95 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.45 1xee h ASP 83 CO 0.06 0.51 -0.64 0.03 -1.03 0.00 0.00 179.24 178.17 1xee h ARG 84 N 0.00 0.00 0.02 4.15 3.08 -1.58 -3.31 114.38 116.74 1xee h ARG 84 Ca -0.01 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.84 1xee h ARG 84 Cb 1.38 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.41 1xee h ARG 84 CO 0.07 0.00 -0.95 0.87 -1.07 0.00 0.00 179.97 178.89 1xee h LYS 85 N 0.00 0.09 -0.67 0.04 1.57 0.59 -2.91 116.57 115.29 1xee h LYS 85 Ca 0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1xee h LYS 85 Cb 0.81 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1xee h LYS 85 CO 0.00 0.97 0.00 0.27 -0.57 0.00 0.00 179.45 180.12 1xee n ASN 86 N -3.52 4.57 -4.69 0.86 6.94 -1.07 -0.72 115.26 117.63 1xee n ASN 86 Ca -0.02 -2.67 -0.41 0.00 -0.02 0.00 0.00 54.58 51.46 1xee n ASN 86 Cb 0.87 -0.63 -0.04 0.00 -2.36 0.00 0.00 39.78 37.63 1xee n ASN 86 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1xee s VAL 87 N -2.28 4.92 0.45 3.53 1.01 -1.10 -4.91 120.40 122.02 1xee s VAL 87 Ca 0.42 1.70 -0.16 0.00 0.00 0.00 0.00 61.98 63.94 1xee s VAL 87 Cb 0.31 -4.16 -0.08 0.00 0.00 0.00 0.00 36.38 32.45 1xee s VAL 87 CO 0.14 0.11 0.90 -1.83 0.00 0.00 0.00 175.10 174.42 1xee s GLU 88 N 1.53 3.99 0.06 2.72 -1.05 -1.26 0.40 118.70 125.09 1xee s GLU 88 Ca 0.42 0.86 -0.01 0.00 -0.15 0.00 0.00 54.97 56.09 1xee s GLU 88 Cb -0.18 -2.24 0.01 0.00 -0.44 0.00 0.00 34.13 31.29 1xee s GLU 88 CO 0.18 -0.11 0.08 1.28 0.95 0.00 0.00 175.26 177.64 1xee n LEU 89 N -1.13 0.00 -0.91 1.83 4.77 -1.26 -4.72 117.00 115.58 1xee n LEU 89 Ca 0.05 -0.12 -0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1xee n LEU 89 Cb 0.54 -0.06 0.19 0.00 -2.33 0.00 0.00 43.42 41.76 1xee n LEU 89 CO 0.44 -0.55 0.43 0.18 -1.33 0.00 0.00 177.39 176.56 1xee n LEU 90 N 0.00 3.34 0.00 2.23 4.77 -1.26 -4.93 117.00 121.15 1xee n LEU 90 Ca 0.01 -3.97 0.00 0.00 -0.03 0.00 0.00 56.01 52.02 1xee n LEU 90 Cb 0.04 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 1xee n LEU 90 CO 0.03 1.45 0.00 0.61 -1.33 0.00 0.00 177.39 178.15 1xee n GLY 91 N -1.08 0.52 3.81 -0.72 0.00 -1.26 -3.41 105.19 103.06 1xee n GLY 91 Ca 0.26 -2.01 -0.36 0.00 0.00 0.00 0.00 46.02 43.90 1xee n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xee s LYS 92 N -0.63 4.26 0.12 1.61 3.01 -1.26 -4.71 119.74 122.14 1xee s LYS 92 Ca 0.00 0.89 -0.35 0.00 -1.01 0.00 0.00 55.97 55.49 1xee s LYS 92 Cb 0.00 -2.87 -0.16 0.00 -1.01 0.00 0.00 37.83 33.79 1xee s LYS 92 CO 0.00 0.39 1.37 -0.12 0.51 0.00 0.00 175.35 177.50 1xee n MET 93 N 0.70 1.43 -0.07 1.68 1.56 -1.26 -2.15 117.12 119.01 1xee n MET 93 Ca -0.02 0.52 -0.07 0.00 -0.27 0.00 0.00 57.70 57.86 1xee n MET 93 Cb 0.51 -2.17 -0.02 0.00 2.15 0.00 0.00 33.22 33.69 1xee n MET 93 CO 0.00 0.00 0.00 0.98 -0.73 0.00 0.00 175.97 176.22 1xee n TYR 94 N 2.55 0.15 -3.72 1.12 9.36 0.16 -1.26 117.16 125.52 1xee n TYR 94 Ca 0.17 0.06 -0.14 0.00 3.32 0.00 0.00 57.90 61.32 1xee n TYR 94 Cb 0.23 -0.45 -0.09 0.00 -0.63 0.00 0.00 39.34 38.39 1xee n TYR 94 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1xee s LYS 95 N -2.44 0.58 -0.21 2.98 1.02 -1.05 -0.34 119.74 120.29 1xee s LYS 95 Ca -0.21 0.46 -0.03 0.00 0.02 0.00 0.00 55.97 56.22 1xee s LYS 95 Cb 0.03 0.28 -0.00 0.00 -0.52 0.00 0.00 37.83 37.61 1xee s LYS 95 CO 0.31 -0.10 -0.08 0.99 -0.92 0.00 0.00 175.35 175.55 1xee s THR 96 N -0.11 3.06 -0.29 2.17 2.01 0.17 -0.21 115.64 122.44 1xee s THR 96 Ca -0.03 -0.60 -0.08 0.00 0.31 0.00 0.00 61.69 61.29 1xee s THR 96 Cb -0.03 -2.37 -0.00 0.00 0.01 0.00 0.00 72.50 70.10 1xee s THR 96 CO 0.02 0.45 0.10 -0.31 -0.69 0.00 0.00 174.62 174.18 1xee s TYR 97 N 1.43 3.14 -0.29 4.92 2.02 0.34 -1.41 117.35 127.50 1xee s TYR 97 Ca 0.06 -0.75 -0.13 0.00 -0.37 0.00 0.00 57.07 55.88 1xee s TYR 97 Cb -0.14 -2.28 -0.04 0.00 -0.40 0.00 0.00 41.96 39.11 1xee s TYR 97 CO -0.06 -0.50 0.27 -0.06 -1.57 0.00 0.00 175.55 173.64 1xee s PHE 98 N 1.56 3.23 -0.28 2.71 0.08 0.13 0.15 117.98 125.55 1xee s PHE 98 Ca 0.04 0.16 -0.10 0.00 0.12 0.00 0.00 56.93 57.15 1xee s PHE 98 Cb -0.17 -2.48 -0.04 0.00 -0.57 0.00 0.00 43.02 39.77 1xee s PHE 98 CO 0.04 -0.23 0.15 -0.06 -0.10 0.00 0.00 175.22 175.02 1xee s PHE 99 N 1.88 3.17 0.57 0.36 0.08 0.80 -0.57 117.98 124.27 1xee s PHE 99 Ca 0.10 -0.16 -0.19 0.00 0.12 0.00 0.00 56.93 56.81 1xee s PHE 99 Cb -0.16 -2.34 -0.05 0.00 -0.57 0.00 0.00 43.02 39.90 1xee s PHE 99 CO 0.11 -0.27 1.13 0.15 -0.10 0.00 0.00 175.22 176.23 1xee s LYS 100 N 1.69 3.24 -0.96 0.44 1.02 -1.26 -0.48 119.74 123.44 1xee s LYS 100 Ca 0.06 1.56 -0.24 0.00 0.02 0.00 0.00 55.97 57.38 1xee s LYS 100 Cb -0.16 -1.99 -0.02 0.00 -0.52 0.00 0.00 37.83 35.13 1xee s LYS 100 CO 0.08 -0.93 1.82 0.21 -0.92 0.00 0.00 175.35 175.61 1xee s LYS 101 N -3.46 2.84 0.00 1.68 2.20 0.30 -3.05 119.74 120.26 1xee s LYS 101 Ca 0.72 -0.59 0.00 0.00 -0.36 0.00 0.00 55.97 55.74 1xee s LYS 101 Cb -0.23 -5.16 0.00 0.00 -1.51 0.00 0.00 37.83 30.93 1xee s LYS 101 CO 0.30 -3.10 0.00 0.41 -0.36 0.00 0.00 175.35 172.60 1xee n GLY 102 N 6.77 0.84 3.61 5.54 0.00 -1.26 -4.99 105.19 115.70 1xee n GLY 102 Ca 0.39 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.13 1xee n GLY 102 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xee s GLU 103 N 0.00 2.22 -0.06 1.61 -1.05 -1.17 -5.03 118.70 115.23 1xee s GLU 103 Ca 0.00 -1.08 0.08 0.00 -0.15 0.00 0.00 54.97 53.82 1xee s GLU 103 Cb 0.00 -2.31 0.34 0.00 -0.44 0.00 0.00 34.13 31.73 1xee s GLU 103 CO 0.00 0.48 1.16 0.43 0.95 0.00 0.00 175.26 178.28 1xee n SER 104 N 0.32 2.57 -4.71 0.83 7.64 -1.26 -4.58 113.62 114.44 1xee n SER 104 Ca -0.12 -2.23 -0.37 0.00 1.01 0.00 0.00 58.87 57.16 1xee n SER 104 Cb 0.54 -0.42 -0.07 0.00 -1.01 0.00 0.00 64.21 63.24 1xee n SER 104 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1xee s LYS 105 N -1.69 4.23 -0.22 1.43 -0.14 -1.26 -5.06 119.74 117.02 1xee s LYS 105 Ca 0.24 0.13 -0.28 0.00 -1.36 0.00 0.00 55.97 54.69 1xee s LYS 105 Cb 0.16 -3.47 -0.04 0.00 -1.68 0.00 0.00 37.83 32.80 1xee s LYS 105 CO 0.11 0.14 2.07 -1.12 -0.76 0.00 0.00 175.35 175.79 1xee s SER 106 N 0.69 5.69 0.10 2.83 0.01 -1.26 -4.32 113.70 117.44 1xee s SER 106 Ca 0.17 1.81 0.19 0.00 1.31 0.00 0.00 55.95 59.44 1xee s SER 106 Cb -0.14 -2.52 -0.10 0.00 0.21 0.00 0.00 66.02 63.47 1xee s SER 106 CO 0.05 -1.78 0.86 -1.20 0.41 0.00 0.00 173.24 171.58 1xee n SER 107 N 10.82 0.76 -3.69 2.44 7.64 0.27 -4.92 113.62 126.94 1xee n SER 107 Ca 0.27 0.32 -0.10 0.00 1.01 0.00 0.00 58.87 60.36 1xee n SER 107 Cb 0.45 0.44 -0.11 0.00 -1.01 0.00 0.00 64.21 63.99 1xee n SER 107 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1xee s TYR 108 N -3.13 -0.62 -0.01 1.43 6.14 -0.94 -5.00 117.35 115.21 1xee s TYR 108 Ca -0.03 1.32 0.04 0.00 0.64 0.00 0.00 57.07 59.04 1xee s TYR 108 Cb 0.09 0.28 -0.01 0.00 0.42 0.00 0.00 41.96 42.74 1xee s TYR 108 CO 0.81 -0.35 -0.12 0.54 0.64 0.00 0.00 175.55 177.07 1xee s VAL 109 N 1.45 0.96 -0.04 3.14 0.11 -1.26 0.18 120.40 124.95 1xee s VAL 109 Ca -0.09 -0.56 0.04 0.00 -2.93 0.00 0.00 61.98 58.44 1xee s VAL 109 Cb -0.08 -0.81 -0.00 0.00 -1.53 0.00 0.00 36.38 33.95 1xee s VAL 109 CO -0.13 0.25 -0.17 -0.63 -3.33 0.00 0.00 175.10 171.09 1xee s ILE 110 N -0.34 1.41 -0.11 7.04 1.01 -0.50 -4.95 121.20 124.77 1xee s ILE 110 Ca 0.04 -0.71 -0.02 0.00 0.00 0.00 0.00 60.65 59.96 1xee s ILE 110 Cb -0.05 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.18 1xee s ILE 110 CO -0.00 0.41 -0.02 0.20 0.00 0.00 0.00 174.94 175.53 1xee s ASN 111 N 0.04 5.04 0.66 3.58 -0.87 -1.26 0.44 114.94 122.57 1xee s ASN 111 Ca -0.04 0.03 0.03 0.00 -1.57 0.00 0.00 52.86 51.31 1xee s ASN 111 Cb -0.11 -1.55 0.11 0.00 -0.02 0.00 0.00 41.25 39.67 1xee s ASN 111 CO 0.02 0.30 0.91 -0.83 -2.57 0.00 0.00 177.10 174.93 1xee s GLY 112 N -0.40 1.75 0.08 0.66 0.00 0.54 -4.96 107.32 105.00 1xee s GLY 112 Ca 0.07 -1.87 0.27 0.00 0.00 0.00 0.00 44.72 43.19 1xee s GLY 112 CO 0.02 -1.35 1.85 -1.55 0.00 0.00 0.00 173.10 172.08 1xee n PRO 113 N -2.61 0.09 0.00 2.90 -0.04 -1.12 -4.10 135.00 130.12 1xee n PRO 113 Ca 0.15 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1xee n PRO 113 Cb 0.61 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1xee n PRO 113 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xee n GLY 114 N 1.33 -2.93 1.25 0.55 0.00 -0.39 -4.92 105.19 100.07 1xee n GLY 114 Ca 0.06 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1xee n GLY 114 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xee n LYS 115 N -1.08 0.00 -4.24 1.61 4.76 -1.26 -4.96 118.16 113.00 1xee n LYS 115 Ca 0.00 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.24 1xee n LYS 115 Cb 0.00 -0.86 -0.12 0.00 -1.84 0.00 0.00 35.03 32.21 1xee n LYS 115 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1xee s THR 116 N -2.65 1.39 -1.65 -0.18 -1.32 -1.26 -5.04 115.64 104.93 1xee s THR 116 Ca 0.00 -1.56 0.17 0.00 -1.21 0.00 0.00 61.69 59.09 1xee s THR 116 Cb 0.00 -1.41 0.02 0.00 -1.51 0.00 0.00 72.50 69.59 1xee s THR 116 CO 0.00 -0.26 0.91 -3.20 -2.21 0.00 0.00 174.62 169.86 1xee n ASN 117 N 0.89 1.80 -3.19 8.08 2.85 -1.26 -3.27 115.26 121.15 1xee n ASN 117 Ca -0.18 -1.40 -0.10 0.00 -0.11 0.00 0.00 54.58 52.79 1xee n ASN 117 Cb 0.55 0.40 0.01 0.00 1.24 0.00 0.00 39.78 41.99 1xee n ASN 117 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1xee n GLU 118 N 0.05 1.02 -1.70 1.20 1.02 -1.25 -3.11 120.64 117.87 1xee n GLU 118 Ca 0.08 -1.37 -0.44 0.00 -0.02 0.00 0.00 57.16 55.41 1xee n GLU 118 Cb 0.37 0.04 -0.03 0.00 -0.02 0.00 0.00 31.44 31.80 1xee n GLU 118 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 1xee n TYR 119 N -1.25 2.50 -0.49 -0.32 4.11 -1.24 -0.65 117.16 119.82 1xee n TYR 119 Ca 0.02 0.24 -0.02 0.00 -0.00 0.00 0.00 57.90 58.14 1xee n TYR 119 Cb 0.25 -2.57 -0.03 0.00 -0.00 0.00 0.00 39.34 36.99 1xee n TYR 119 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1xee n ALA 120 N 3.02 3.93 0.10 -3.48 0.00 -1.26 -4.83 120.51 117.99 1xee n ALA 120 Ca 0.14 -0.28 0.01 0.00 0.00 0.00 0.00 53.44 53.31 1xee n ALA 120 Cb 0.32 -1.37 0.01 0.00 0.00 0.00 0.00 19.45 18.41 1xee n ALA 120 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16