#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 -6.72 -1.08 6.41 7.64 -1.26 -4.94 113.62 113.67 1xee n SER 32 Ca 0.00 -0.48 0.01 0.00 1.01 0.00 0.00 58.87 59.41 1xee n SER 32 Cb 0.00 -4.36 -0.00 0.00 -1.01 0.00 0.00 64.21 58.84 1xee n SER 32 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xee n GLY 33 N -1.65 0.79 3.57 0.23 0.00 -1.26 -4.99 105.19 101.88 1xee n GLY 33 Ca -0.08 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 1xee n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xee s LEU 34 N 0.00 3.61 0.00 0.99 1.02 -1.26 -4.96 118.68 118.08 1xee s LEU 34 Ca 0.17 -1.92 -0.10 0.00 0.02 0.00 0.00 54.13 52.30 1xee s LEU 34 Cb 0.19 -2.58 -0.05 0.00 0.02 0.00 0.00 46.19 43.77 1xee s LEU 34 CO -0.08 -1.55 0.82 -0.65 0.02 0.00 0.00 176.35 174.91 1xee h PRO 35 N 8.77 -0.34 -3.37 1.29 0.11 -2.04 -3.42 132.00 132.99 1xee h PRO 35 Ca 0.32 0.02 -0.53 0.00 0.11 0.00 0.00 66.00 65.92 1xee h PRO 35 Cb 0.93 0.08 -0.40 0.00 0.11 0.00 0.00 31.00 31.72 1xee h PRO 35 CO 1.41 -0.23 -0.76 0.99 -0.21 0.00 0.00 178.00 179.20 1xee s THR 36 N -3.19 0.45 0.48 -1.15 2.01 -1.26 -4.98 115.64 108.00 1xee s THR 36 Ca -0.05 -0.76 0.06 0.00 0.31 0.00 0.00 61.69 61.25 1xee s THR 36 Cb 0.01 -1.13 -0.00 0.00 0.01 0.00 0.00 72.50 71.38 1xee s THR 36 CO 0.16 -0.42 0.29 0.42 -0.69 0.00 0.00 174.62 174.38 1xee s THR 37 N 1.87 1.95 0.19 -0.82 -4.23 -1.26 -3.85 115.64 109.48 1xee s THR 37 Ca 0.04 -1.59 -0.13 0.00 -1.18 0.00 0.00 61.69 58.83 1xee s THR 37 Cb -0.17 -2.53 0.10 0.00 1.34 0.00 0.00 72.50 71.24 1xee s THR 37 CO -0.17 0.00 1.74 0.25 -0.54 0.00 0.00 174.62 175.90 1xee h LEU 38 N 1.06 0.12 -1.68 4.79 5.85 -0.48 0.66 115.31 125.65 1xee h LEU 38 Ca -0.40 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 1xee h LEU 38 Cb 1.28 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.38 1xee h LEU 38 CO 0.63 0.10 -0.07 1.23 -0.34 0.00 0.00 178.44 179.99 1xee h GLY 39 N 0.32 0.00 0.58 3.75 0.00 -0.89 0.22 103.07 107.04 1xee h GLY 39 Ca 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.56 1xee h GLY 39 CO -0.27 0.00 -0.04 0.50 0.00 0.00 0.00 176.54 176.72 1xee h LYS 40 N 0.00 0.11 -0.20 4.80 6.56 -1.47 -2.98 116.57 123.38 1xee h LYS 40 Ca -0.00 -0.06 0.01 0.00 -1.06 0.00 0.00 60.65 59.55 1xee h LYS 40 Cb 0.46 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.10 1xee h LYS 40 CO 0.01 0.57 0.09 1.25 -2.06 0.00 0.00 179.45 179.31 1xee h LEU 41 N -0.35 0.14 -0.30 2.94 7.12 -0.64 -1.94 115.31 122.28 1xee h LEU 41 Ca 0.01 0.01 0.07 0.00 0.13 0.00 0.00 57.88 58.09 1xee h LEU 41 Cb 0.55 -0.02 -0.08 0.00 -0.53 0.00 0.00 40.66 40.58 1xee h LEU 41 CO 0.01 0.11 -0.34 -0.78 -0.13 0.00 0.00 178.44 177.31 1xee h ASP 42 N 0.21 -1.11 -0.58 1.25 3.58 -0.70 0.16 116.42 119.22 1xee h ASP 42 Ca 0.08 0.18 0.08 0.00 0.42 0.00 0.00 57.03 57.79 1xee h ASP 42 Cb 0.03 0.50 -0.06 0.00 1.72 0.00 0.00 39.33 41.51 1xee h ASP 42 CO -0.06 -0.35 0.25 -0.08 -2.88 0.00 0.00 179.24 176.12 1xee h GLU 43 N -0.32 0.44 -0.33 0.28 4.22 -1.38 -0.39 114.58 117.11 1xee h GLU 43 Ca 0.14 -0.03 -0.05 0.00 0.08 0.00 0.00 59.36 59.50 1xee h GLU 43 Cb 0.55 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1xee h GLU 43 CO -0.47 0.29 0.01 0.00 -2.18 0.00 0.00 179.01 176.66 1xee h ARG 44 N 0.46 0.57 -0.36 1.92 3.08 -1.00 -2.74 114.38 116.30 1xee h ARG 44 Ca 0.28 -0.17 -0.06 0.00 0.07 0.00 0.00 59.98 60.10 1xee h ARG 44 Cb 0.29 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1xee h ARG 44 CO -0.25 0.69 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.25 1xee h LEU 45 N 0.38 0.64 -0.44 3.04 -0.00 -0.38 0.26 115.31 118.80 1xee h LEU 45 Ca 0.09 -0.32 0.03 0.00 -0.00 0.00 0.00 57.88 57.69 1xee h LEU 45 Cb 0.42 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 40.87 1xee h LEU 45 CO 0.01 0.80 0.24 0.03 -0.00 0.00 0.00 178.44 179.52 1xee h ARG 46 N 0.46 0.46 -0.44 1.13 3.08 -1.00 -0.16 114.38 117.92 1xee h ARG 46 Ca 0.10 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 1xee h ARG 46 Cb 0.48 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1xee h ARG 46 CO 0.02 0.31 0.01 -0.91 -1.07 0.00 0.00 179.97 178.33 1xee h ASN 47 N 0.48 0.67 -0.57 7.04 2.35 -1.16 -2.63 115.58 121.75 1xee h ASN 47 Ca 0.19 -0.15 -0.06 0.00 -0.55 0.00 0.00 56.30 55.73 1xee h ASN 47 Cb 0.07 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 1xee h ASN 47 CO -0.11 0.74 0.16 0.22 -1.65 0.00 0.00 177.43 176.78 1xee h TYR 48 N 0.67 0.98 0.13 1.19 3.20 0.09 -2.65 116.97 120.57 1xee h TYR 48 Ca 0.14 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 1xee h TYR 48 Cb 0.40 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.39 1xee h TYR 48 CO 0.02 0.80 -0.06 -0.07 -1.64 0.00 0.00 178.16 177.21 1xee h LEU 49 N 0.91 -0.15 -1.35 2.82 3.38 -0.98 -2.65 115.31 117.29 1xee h LEU 49 Ca 0.20 -0.17 0.10 0.00 0.09 0.00 0.00 57.88 58.10 1xee h LEU 49 Cb 0.31 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 1xee h LEU 49 CO -0.00 0.08 0.52 0.11 0.09 0.00 0.00 178.44 179.24 1xee h LYS 50 N -0.38 0.70 0.00 1.13 1.79 -1.13 0.36 116.57 119.04 1xee h LYS 50 Ca -0.02 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1xee h LYS 50 Cb 0.31 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1xee h LYS 50 CO 0.03 0.47 -1.05 1.63 -1.08 0.00 0.00 179.45 179.45 1xee n LYS 51 N -4.51 0.17 -0.09 3.15 5.02 -1.05 -4.43 118.16 116.42 1xee n LYS 51 Ca 0.13 -0.02 -0.13 0.00 -2.02 0.00 0.00 58.31 56.28 1xee n LYS 51 Cb 0.33 -1.53 -0.06 0.00 -0.02 0.00 0.00 35.03 33.75 1xee n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xee n GLY 52 N 1.43 -0.84 0.00 0.72 0.00 -0.57 -5.04 105.19 100.89 1xee n GLY 52 Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1xee n GLY 52 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1xee n THR 53 N -4.51 0.00 -1.26 2.61 5.66 0.12 -5.07 114.28 111.82 1xee n THR 53 Ca -0.20 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 1xee n THR 53 Cb 0.47 -0.03 0.00 0.00 -1.55 0.00 0.00 70.33 69.22 1xee n THR 53 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1xee n LYS 54 N -0.02 0.00 -0.55 1.09 4.76 -1.26 -4.16 118.16 118.02 1xee n LYS 54 Ca 0.00 -0.22 0.08 0.00 -2.87 0.00 0.00 58.31 55.30 1xee n LYS 54 Cb 0.00 -0.37 0.32 0.00 -1.84 0.00 0.00 35.03 33.14 1xee n LYS 54 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1xee n ASN 55 N 0.00 4.27 -0.30 4.39 3.02 -1.26 -4.67 115.26 120.72 1xee n ASN 55 Ca 0.00 -2.40 0.06 0.00 -0.03 0.00 0.00 54.58 52.21 1xee n ASN 55 Cb 0.40 -0.55 0.14 0.00 -0.61 0.00 0.00 39.78 39.16 1xee n ASN 55 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1xee n SER 56 N 0.96 -0.27 0.12 6.41 7.64 -1.26 -0.86 113.62 126.36 1xee n SER 56 Ca 0.23 1.43 0.11 0.00 1.01 0.00 0.00 58.87 61.65 1xee n SER 56 Cb 0.81 -0.45 0.47 0.00 -1.01 0.00 0.00 64.21 64.03 1xee n SER 56 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xee n ALA 57 N -3.62 1.64 0.06 -0.43 0.00 -1.26 -2.49 120.51 114.41 1xee n ALA 57 Ca 0.14 0.07 -0.05 0.00 0.00 0.00 0.00 53.44 53.61 1xee n ALA 57 Cb 0.45 -1.37 -0.09 0.00 0.00 0.00 0.00 19.45 18.44 1xee n ALA 57 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1xee h GLN 58 N 0.00 0.00 -6.47 0.00 5.75 -1.34 -3.45 115.11 109.61 1xee h GLN 58 Ca 0.00 0.00 -0.53 0.00 -0.15 0.00 0.00 58.65 57.97 1xee h GLN 58 Cb 0.34 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.87 1xee h GLN 58 CO 0.00 0.77 0.35 -0.06 -2.65 0.00 0.00 178.83 177.24 1xee s PHE 59 N -2.76 3.73 -0.08 3.99 0.08 -1.02 -0.82 117.98 121.10 1xee s PHE 59 Ca 0.00 1.73 0.15 0.00 0.12 0.00 0.00 56.93 58.93 1xee s PHE 59 Cb 0.09 -3.07 -0.22 0.00 -0.57 0.00 0.00 43.02 39.26 1xee s PHE 59 CO 0.80 0.11 0.59 -1.91 -0.10 0.00 0.00 175.22 174.72 1xee n GLU 60 N 3.32 0.64 -3.53 0.44 2.13 0.22 -4.48 120.64 119.37 1xee n GLU 60 Ca 0.04 0.22 -0.10 0.00 0.66 0.00 0.00 57.16 57.98 1xee n GLU 60 Cb 0.50 -1.75 -0.04 0.00 0.27 0.00 0.00 31.44 30.43 1xee n GLU 60 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1xee s LYS 61 N -2.66 0.76 0.07 5.31 -2.85 -1.13 -1.11 119.74 118.13 1xee s LYS 61 Ca -0.05 -0.06 0.04 0.00 -1.00 0.00 0.00 55.97 54.90 1xee s LYS 61 Cb 0.08 0.36 -0.03 0.00 -2.06 0.00 0.00 37.83 36.18 1xee s LYS 61 CO 0.82 -0.29 -0.12 0.00 0.10 0.00 0.00 175.35 175.87 1xee s MET 62 N -2.10 0.76 -0.11 1.78 0.23 0.76 -0.37 119.30 120.24 1xee s MET 62 Ca 0.00 -0.95 0.01 0.00 -1.03 0.00 0.00 55.69 53.72 1xee s MET 62 Cb -0.01 -0.63 0.02 0.00 -1.53 0.00 0.00 34.83 32.68 1xee s MET 62 CO -0.03 0.13 -0.14 0.08 -2.03 0.00 0.00 175.02 173.03 1xee s VAL 63 N -1.56 1.42 -0.14 5.16 1.01 0.13 -0.07 120.40 126.34 1xee s VAL 63 Ca -0.02 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 1xee s VAL 63 Cb -0.08 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 1xee s VAL 63 CO 0.01 0.43 -0.08 -0.63 0.00 0.00 0.00 175.10 174.83 1xee s ILE 64 N 1.13 3.47 -0.12 2.22 1.01 0.72 -0.16 121.20 129.47 1xee s ILE 64 Ca -0.04 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.13 1xee s ILE 64 Cb -0.14 -2.49 -0.00 0.00 0.01 0.00 0.00 42.46 39.83 1xee s ILE 64 CO -0.03 0.51 -0.21 -0.76 0.00 0.00 0.00 174.94 174.44 1xee s LEU 65 N 0.38 2.21 0.00 2.97 1.43 -0.48 -1.11 118.68 124.08 1xee s LEU 65 Ca -0.07 -0.53 0.02 0.00 -1.03 0.00 0.00 54.13 52.52 1xee s LEU 65 Cb -0.15 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 44.60 1xee s LEU 65 CO 0.04 0.14 0.09 0.35 0.23 0.00 0.00 176.35 177.20 1xee n THR 66 N 3.67 0.00 -1.15 5.49 -2.24 0.43 0.41 114.28 120.88 1xee n THR 66 Ca -0.19 -1.93 -0.32 0.00 -2.27 0.00 0.00 64.05 59.34 1xee n THR 66 Cb 0.53 0.61 0.11 0.00 -2.10 0.00 0.00 70.33 69.47 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 -3.32 1.88 0.02 -0.78 2.02 -1.00 -3.75 118.70 113.77 1xee s GLU 67 Ca 0.12 1.41 0.00 0.00 0.02 0.00 0.00 54.97 56.52 1xee s GLU 67 Cb 0.01 -1.84 0.00 0.00 0.10 0.00 0.00 34.13 32.40 1xee s GLU 67 CO 0.09 -1.96 0.00 0.09 0.02 0.00 0.00 175.26 173.49 1xee n ASN 68 N -3.53 0.00 -1.66 -0.19 3.02 0.58 -1.79 115.26 111.69 1xee n ASN 68 Ca 0.11 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.63 1xee n ASN 68 Cb 0.52 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.72 1xee n ASN 68 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1xee n LYS 69 N 0.00 0.51 -2.24 3.52 2.85 -1.26 -2.63 118.16 118.92 1xee n LYS 69 Ca 0.00 -0.69 -0.41 0.00 -1.05 0.00 0.00 58.31 56.17 1xee n LYS 69 Cb 0.00 0.35 -0.03 0.00 -0.65 0.00 0.00 35.03 34.71 1xee n LYS 69 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1xee s GLY 70 N -0.66 0.64 -0.42 2.58 0.00 -0.74 -4.95 107.32 103.78 1xee s GLY 70 Ca 0.03 -0.63 0.03 0.00 0.00 0.00 0.00 44.72 44.15 1xee s GLY 70 CO -0.05 3.05 0.15 -0.47 0.00 0.00 0.00 173.10 175.79 1xee s TYR 71 N 7.16 3.57 -0.16 1.90 5.04 -1.26 -0.43 117.35 133.17 1xee s TYR 71 Ca 0.59 -2.95 -0.01 0.00 -2.44 0.00 0.00 57.07 52.26 1xee s TYR 71 Cb -0.12 -2.96 -0.01 0.00 0.35 0.00 0.00 41.96 39.22 1xee s TYR 71 CO 0.23 -0.89 -0.13 0.71 -1.34 0.00 0.00 175.55 174.13 1xee s TYR 72 N 0.55 2.82 -0.23 4.97 2.02 -0.26 -5.00 117.35 122.22 1xee s TYR 72 Ca 0.13 -0.91 -0.06 0.00 -0.37 0.00 0.00 57.07 55.86 1xee s TYR 72 Cb -0.21 -1.91 -0.02 0.00 -0.40 0.00 0.00 41.96 39.41 1xee s TYR 72 CO -0.05 -0.41 0.02 0.99 -1.57 0.00 0.00 175.55 174.53 1xee s THR 73 N 0.78 3.93 -0.17 -0.71 2.01 -1.26 -0.20 115.64 120.01 1xee s THR 73 Ca -0.05 -0.31 0.01 0.00 0.31 0.00 0.00 61.69 61.65 1xee s THR 73 Cb -0.15 -2.81 0.02 0.00 0.01 0.00 0.00 72.50 69.57 1xee s THR 73 CO 0.01 0.39 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.46 1xee s VAL 74 N 1.40 1.89 -0.52 3.82 1.01 0.89 -4.95 120.40 123.95 1xee s VAL 74 Ca 0.05 -0.87 -0.21 0.00 0.00 0.00 0.00 61.98 60.95 1xee s VAL 74 Cb -0.15 -1.74 0.05 0.00 0.00 0.00 0.00 36.38 34.54 1xee s VAL 74 CO 0.01 0.48 0.74 -0.31 0.00 0.00 0.00 175.10 176.02 1xee s TYR 75 N 1.35 2.96 0.61 5.22 2.02 -1.26 -0.17 117.35 128.07 1xee s TYR 75 Ca 0.04 -0.31 0.14 0.00 -0.37 0.00 0.00 57.07 56.58 1xee s TYR 75 Cb -0.13 -3.72 0.77 0.00 -0.40 0.00 0.00 41.96 38.48 1xee s TYR 75 CO -0.12 -1.14 1.41 -0.07 -1.57 0.00 0.00 175.55 174.07 1xee h LEU 76 N 10.17 0.00 0.00 -1.29 3.38 -1.41 -3.14 115.31 123.01 1xee h LEU 76 Ca -0.27 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 1xee h LEU 76 Cb 1.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1xee h LEU 76 CO 1.00 0.00 -0.60 -1.13 0.09 0.00 0.00 178.44 177.80 1xee h ASN 77 N 0.00 0.00 -4.83 -0.43 -0.00 -1.67 -3.47 115.58 105.18 1xee h ASN 77 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 56.30 56.07 1xee h ASN 77 Cb 1.30 0.00 -0.20 0.00 -0.00 0.00 0.00 38.32 39.42 1xee h ASN 77 CO 0.00 0.18 -0.72 0.42 -0.00 0.00 0.00 177.43 177.31 1xee s THR 78 N -3.17 0.42 0.23 -3.57 -4.23 -1.19 -5.13 115.64 99.00 1xee s THR 78 Ca 0.03 -1.17 -0.30 0.00 -1.18 0.00 0.00 61.69 59.07 1xee s THR 78 Cb 0.07 -0.69 -0.09 0.00 1.34 0.00 0.00 72.50 73.14 1xee s THR 78 CO 0.74 -0.50 1.30 -2.84 -0.54 0.00 0.00 174.62 172.78 1xee s PRO 79 N -1.93 4.39 0.18 3.99 0.02 -1.26 -4.67 135.00 135.72 1xee s PRO 79 Ca -0.08 2.08 -0.33 0.00 0.02 0.00 0.00 61.00 62.68 1xee s PRO 79 Cb -0.07 -3.17 -0.13 0.00 0.02 0.00 0.00 34.50 31.14 1xee s PRO 79 CO -0.01 -0.22 1.61 -0.11 -0.33 0.00 0.00 177.00 177.93 1xee n LEU 80 N 2.25 3.33 -4.74 -5.54 7.94 -1.26 -4.98 117.00 114.00 1xee n LEU 80 Ca 0.05 1.08 -0.36 0.00 -1.11 0.00 0.00 56.01 55.67 1xee n LEU 80 Cb 0.43 -1.47 0.05 0.00 0.53 0.00 0.00 43.42 42.96 1xee n LEU 80 CO 0.58 -0.17 0.86 0.00 -1.11 0.00 0.00 177.39 177.55 1xee s ALA 81 N 0.95 2.47 0.45 1.96 0.00 -1.26 -4.81 121.76 121.51 1xee s ALA 81 Ca 0.77 1.08 0.13 0.00 0.00 0.00 0.00 51.96 53.95 1xee s ALA 81 Cb -0.63 -3.49 1.02 0.00 0.00 0.00 0.00 23.12 20.02 1xee s ALA 81 CO 0.37 -1.35 2.02 1.05 0.00 0.00 0.00 175.76 177.85 1xee h GLU 82 N 0.71 0.08 -0.55 0.00 4.11 -2.00 -0.32 114.58 116.60 1xee h GLU 82 Ca -0.50 -0.01 -0.05 0.00 0.07 0.00 0.00 59.36 58.86 1xee h GLU 82 Cb 1.31 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 1xee h GLU 82 CO 0.54 0.18 0.15 -0.44 0.07 0.00 0.00 179.01 179.51 1xee h ASP 83 N 0.08 0.78 0.00 3.06 5.19 -2.01 -3.05 116.42 120.47 1xee h ASP 83 Ca 0.02 -0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 1xee h ASP 83 Cb 0.22 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.53 1xee h ASP 83 CO 0.01 0.76 -0.88 0.54 -3.12 0.00 0.00 179.24 176.55 1xee n ARG 84 N -4.28 1.35 0.03 3.56 1.74 -0.26 -4.48 116.66 114.32 1xee n ARG 84 Ca 0.04 -0.01 -0.12 0.00 -0.77 0.00 0.00 57.85 56.98 1xee n ARG 84 Cb 0.22 -1.31 -0.08 0.00 -1.02 0.00 0.00 32.46 30.27 1xee n ARG 84 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1xee h LYS 85 N 0.00 -0.01 -0.66 5.56 1.57 -1.09 -2.85 116.57 119.08 1xee h LYS 85 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xee h LYS 85 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1xee h LYS 85 CO 0.00 0.13 0.00 0.09 -0.57 0.00 0.00 179.45 179.10 1xee n ASN 86 N -5.03 0.96 -4.70 0.86 4.13 -1.24 -0.44 115.26 109.81 1xee n ASN 86 Ca -0.07 -2.04 -0.41 0.00 1.68 0.00 0.00 54.58 53.73 1xee n ASN 86 Cb 0.10 -0.35 -0.04 0.00 -1.54 0.00 0.00 39.78 37.95 1xee n ASN 86 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1xee s VAL 87 N -1.40 4.94 0.31 2.41 1.01 -1.08 -4.91 120.40 121.70 1xee s VAL 87 Ca 0.04 1.69 -0.27 0.00 0.00 0.00 0.00 61.98 63.43 1xee s VAL 87 Cb 0.02 -4.15 -0.10 0.00 0.00 0.00 0.00 36.38 32.16 1xee s VAL 87 CO 0.01 0.16 0.97 -1.83 0.00 0.00 0.00 175.10 174.42 1xee s GLU 88 N 1.27 4.59 -0.37 2.72 -1.05 -1.26 0.06 118.70 124.66 1xee s GLU 88 Ca 0.42 1.44 -0.26 0.00 -0.15 0.00 0.00 54.97 56.43 1xee s GLU 88 Cb -0.18 -2.91 0.01 0.00 -0.44 0.00 0.00 34.13 30.61 1xee s GLU 88 CO 0.19 0.27 0.91 -0.51 0.95 0.00 0.00 175.26 177.07 1xee s LEU 89 N -1.88 4.01 0.00 1.83 1.43 -1.25 -4.78 118.68 118.04 1xee s LEU 89 Ca 0.49 0.56 0.00 0.00 -1.03 0.00 0.00 54.13 54.15 1xee s LEU 89 Cb -0.22 -3.24 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1xee s LEU 89 CO 0.28 -0.84 0.13 0.18 0.23 0.00 0.00 176.35 176.33 1xee n LEU 90 N 6.73 0.00 0.00 1.79 4.77 -1.26 -4.84 117.00 124.19 1xee n LEU 90 Ca 0.07 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1xee n LEU 90 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1xee n LEU 90 CO 0.58 -0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1xee n GLY 91 N 2.00 0.54 3.67 -0.72 0.00 -1.26 -3.19 105.19 106.23 1xee n GLY 91 Ca 0.00 -1.97 -0.35 0.00 0.00 0.00 0.00 46.02 43.70 1xee n GLY 91 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xee s LYS 92 N -0.77 4.06 -0.22 1.61 -2.85 -1.26 -4.72 119.74 115.60 1xee s LYS 92 Ca 0.00 -0.29 -0.39 0.00 -1.00 0.00 0.00 55.97 54.29 1xee s LYS 92 Cb 0.00 -3.31 -0.15 0.00 -2.06 0.00 0.00 37.83 32.30 1xee s LYS 92 CO 0.00 0.27 1.72 0.00 0.10 0.00 0.00 175.35 177.44 1xee n MET 93 N 3.58 1.30 0.06 1.78 0.00 -1.26 -2.37 117.12 120.20 1xee n MET 93 Ca -0.16 0.47 -0.07 0.00 0.00 0.00 0.00 57.70 57.95 1xee n MET 93 Cb 0.52 -2.18 -0.04 0.00 0.00 0.00 0.00 33.22 31.52 1xee n MET 93 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 175.97 175.05 1xee h TYR 94 N 7.21 -0.23 -2.66 3.17 3.20 -0.27 -2.52 116.97 124.87 1xee h TYR 94 Ca -0.47 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.29 1xee h TYR 94 Cb 1.31 0.07 -0.22 0.00 1.54 0.00 0.00 36.73 39.44 1xee h TYR 94 CO 0.77 0.03 -0.15 0.15 -1.64 0.00 0.00 178.16 177.32 1xee s LYS 95 N -2.69 0.67 -0.14 1.82 1.02 -1.19 -2.46 119.74 116.77 1xee s LYS 95 Ca -0.07 0.31 0.02 0.00 0.02 0.00 0.00 55.97 56.24 1xee s LYS 95 Cb 0.00 0.31 0.02 0.00 -0.52 0.00 0.00 37.83 37.64 1xee s LYS 95 CO 0.26 -0.15 -0.18 0.99 -0.92 0.00 0.00 175.35 175.35 1xee s THR 96 N -0.50 1.81 -0.12 2.17 2.01 0.50 -1.38 115.64 120.13 1xee s THR 96 Ca -0.06 -0.81 -0.04 0.00 0.31 0.00 0.00 61.69 61.08 1xee s THR 96 Cb -0.03 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 1xee s THR 96 CO 0.03 0.50 0.03 -0.31 -0.69 0.00 0.00 174.62 174.18 1xee s TYR 97 N 1.09 3.22 0.03 4.92 2.02 0.78 0.29 117.35 129.70 1xee s TYR 97 Ca -0.02 0.14 0.04 0.00 -0.37 0.00 0.00 57.07 56.86 1xee s TYR 97 Cb -0.14 -1.90 -0.04 0.00 -0.40 0.00 0.00 41.96 39.48 1xee s TYR 97 CO -0.06 0.36 -0.06 -0.06 -1.57 0.00 0.00 175.55 174.16 1xee s PHE 98 N -0.43 2.88 -0.24 2.71 0.40 0.95 0.20 117.98 124.45 1xee s PHE 98 Ca 0.09 -0.06 -0.01 0.00 -0.60 0.00 0.00 56.93 56.35 1xee s PHE 98 Cb -0.12 -1.57 0.07 0.00 0.51 0.00 0.00 43.02 41.91 1xee s PHE 98 CO 0.02 0.40 0.01 -0.06 0.70 0.00 0.00 175.22 176.29 1xee s PHE 99 N -1.09 1.82 0.79 0.36 0.08 0.50 -1.88 117.98 118.56 1xee s PHE 99 Ca 0.19 -1.48 -0.14 0.00 0.12 0.00 0.00 56.93 55.63 1xee s PHE 99 Cb -0.11 -1.46 0.07 0.00 -0.57 0.00 0.00 43.02 40.95 1xee s PHE 99 CO 0.10 -0.74 1.19 1.63 -0.10 0.00 0.00 175.22 177.31 1xee n LYS 100 N 4.83 0.28 -2.80 0.44 5.02 -1.26 -0.61 118.16 124.06 1xee n LYS 100 Ca -0.08 0.17 -0.37 0.00 -2.02 0.00 0.00 58.31 56.00 1xee n LYS 100 Cb 0.45 -2.43 -0.06 0.00 -0.02 0.00 0.00 35.03 32.96 1xee n LYS 100 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1xee s LYS 101 N -4.00 4.60 0.00 1.97 2.20 0.00 -2.50 119.74 122.01 1xee s LYS 101 Ca 0.74 1.32 0.00 0.00 -0.36 0.00 0.00 55.97 57.67 1xee s LYS 101 Cb -0.30 -2.89 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 1xee s LYS 101 CO 0.50 0.33 0.00 0.41 -0.36 0.00 0.00 175.35 176.23 1xee n GLY 102 N 0.73 0.56 3.26 5.54 0.00 -1.26 -5.01 105.19 109.01 1xee n GLY 102 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.20 1.03 -0.27 1.61 -1.05 -1.04 -5.06 118.70 113.72 1xee s GLU 103 Ca 0.00 -1.23 0.11 0.00 -0.15 0.00 0.00 54.97 53.70 1xee s GLU 103 Cb 0.00 0.33 0.55 0.00 -0.44 0.00 0.00 34.13 34.56 1xee s GLU 103 CO 0.00 -0.34 1.52 0.43 0.95 0.00 0.00 175.26 177.82 1xee n SER 104 N -0.15 3.23 -4.63 0.83 7.64 -1.26 -4.50 113.62 114.78 1xee n SER 104 Ca -0.08 -3.48 -0.43 0.00 1.01 0.00 0.00 58.87 55.90 1xee n SER 104 Cb 0.63 -0.64 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1xee n SER 104 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1xee s LYS 105 N -3.10 4.05 -0.76 1.43 2.20 -1.26 -5.05 119.74 117.25 1xee s LYS 105 Ca 0.46 0.99 -0.26 0.00 -0.36 0.00 0.00 55.97 56.81 1xee s LYS 105 Cb 0.40 -3.73 -0.04 0.00 -1.51 0.00 0.00 37.83 32.95 1xee s LYS 105 CO 0.05 -0.85 1.92 -1.54 -0.36 0.00 0.00 175.35 174.56 1xee s SER 106 N 1.63 5.17 0.00 1.43 1.04 -1.26 -4.11 113.70 117.61 1xee s SER 106 Ca 0.43 -0.15 0.18 0.00 0.48 0.00 0.00 55.95 56.89 1xee s SER 106 Cb -0.13 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.42 1xee s SER 106 CO 0.14 -2.59 0.90 -1.20 0.98 0.00 0.00 173.24 171.48 1xee n SER 107 N 13.50 1.63 -3.67 7.02 7.64 -0.79 -4.90 113.62 134.05 1xee n SER 107 Ca 0.31 -1.31 -0.10 0.00 1.01 0.00 0.00 58.87 58.77 1xee n SER 107 Cb 0.49 0.55 -0.09 0.00 -1.01 0.00 0.00 64.21 64.16 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 -2.17 -0.81 0.02 1.43 6.14 -1.25 -5.02 117.35 115.70 1xee s TYR 108 Ca 0.14 1.72 0.02 0.00 0.64 0.00 0.00 57.07 59.59 1xee s TYR 108 Cb 0.14 0.41 -0.01 0.00 0.42 0.00 0.00 41.96 42.92 1xee s TYR 108 CO 0.50 -0.41 -0.08 0.54 0.64 0.00 0.00 175.55 176.74 1xee s VAL 109 N 1.19 0.59 -0.16 3.14 0.11 -1.26 -0.03 120.40 123.98 1xee s VAL 109 Ca -0.07 -0.68 -0.04 0.00 -2.93 0.00 0.00 61.98 58.26 1xee s VAL 109 Cb -0.06 -0.57 -0.03 0.00 -1.53 0.00 0.00 36.38 34.20 1xee s VAL 109 CO -0.12 -0.08 -0.03 -0.63 -3.33 0.00 0.00 175.10 170.91 1xee s ILE 110 N -0.71 3.92 -0.09 7.04 -1.09 0.14 -4.90 121.20 125.51 1xee s ILE 110 Ca -0.02 -0.34 -0.02 0.00 -2.23 0.00 0.00 60.65 58.03 1xee s ILE 110 Cb -0.06 -2.73 -0.03 0.00 -1.58 0.00 0.00 42.46 38.06 1xee s ILE 110 CO 0.00 0.48 -0.00 0.21 -1.23 0.00 0.00 174.94 174.40 1xee s ASN 111 N 0.47 5.17 0.31 3.58 2.47 -1.26 -0.37 114.94 125.30 1xee s ASN 111 Ca -0.03 0.11 0.01 0.00 0.42 0.00 0.00 52.86 53.38 1xee s ASN 111 Cb -0.14 -1.47 0.01 0.00 -1.45 0.00 0.00 41.25 38.19 1xee s ASN 111 CO 0.03 0.36 0.09 0.61 -3.72 0.00 0.00 177.10 174.46 1xee n GLY 112 N 2.25 3.49 0.00 1.21 0.00 -1.03 -5.02 105.19 106.09 1xee n GLY 112 Ca -0.18 -2.28 0.11 0.00 0.00 0.00 0.00 46.02 43.66 1xee n GLY 112 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xee n PRO 113 N -0.93 0.39 -2.61 1.61 -0.04 -1.24 -4.79 135.00 127.39 1xee n PRO 113 Ca -0.08 0.07 -0.37 0.00 -0.04 0.00 0.00 63.50 63.07 1xee n PRO 113 Cb 0.37 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.29 1xee n PRO 113 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1xee s GLY 114 N -2.45 2.77 0.00 0.55 0.00 -0.95 -4.89 107.32 102.35 1xee s GLY 114 Ca 0.23 0.66 0.00 0.00 0.00 0.00 0.00 44.72 45.61 1xee s GLY 114 CO 0.31 1.10 0.00 1.17 0.00 0.00 0.00 173.10 175.68 1xee n LYS 115 N 0.16 2.28 -4.56 2.90 3.00 -1.26 -4.49 118.16 116.19 1xee n LYS 115 Ca 0.04 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 58.01 1xee n LYS 115 Cb 0.49 -0.74 -0.11 0.00 0.00 0.00 0.00 35.03 34.67 1xee n LYS 115 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1xee s THR 116 N -1.33 3.83 -0.08 3.15 -1.32 -1.26 -5.00 115.64 113.63 1xee s THR 116 Ca 0.00 -0.43 0.14 0.00 -1.21 0.00 0.00 61.69 60.19 1xee s THR 116 Cb 0.00 -2.58 -0.21 0.00 -1.51 0.00 0.00 72.50 68.20 1xee s THR 116 CO 0.00 0.59 0.33 -3.20 -2.21 0.00 0.00 174.62 170.13 1xee n ASN 117 N 2.32 1.71 -4.34 8.08 4.05 -1.26 -4.01 115.26 121.80 1xee n ASN 117 Ca -0.18 -0.09 -0.24 0.00 0.45 0.00 0.00 54.58 54.52 1xee n ASN 117 Cb 0.53 1.57 0.14 0.00 1.23 0.00 0.00 39.78 43.25 1xee n ASN 117 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 177.26 172.37 1xee n GLU 118 N -1.91 -0.43 -1.59 1.20 0.00 -1.26 -2.73 120.64 113.93 1xee n GLU 118 Ca -0.02 -2.51 -0.45 0.00 0.00 0.00 0.00 57.16 54.18 1xee n GLU 118 Cb 0.34 -0.84 -0.02 0.00 0.00 0.00 0.00 31.44 30.92 1xee n GLU 118 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1xee n TYR 119 N -3.11 1.32 -2.62 -1.84 4.01 -1.08 -0.30 117.16 113.54 1xee n TYR 119 Ca 0.16 0.68 -0.34 0.00 -0.16 0.00 0.00 57.90 58.25 1xee n TYR 119 Cb 0.58 -2.27 -0.00 0.00 -0.31 0.00 0.00 39.34 37.34 1xee n TYR 119 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1xee n ALA 120 N 0.59 5.50 0.25 -0.72 0.00 -1.26 -4.78 120.51 120.09 1xee n ALA 120 Ca 0.11 -4.53 0.02 0.00 0.00 0.00 0.00 53.44 49.04 1xee n ALA 120 Cb 0.30 -1.40 0.12 0.00 0.00 0.00 0.00 19.45 18.47 1xee n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48