#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xee h SER 32 N 0.00 -0.44 -3.23 0.53 0.02 -2.07 -3.35 113.55 105.00 1xee h SER 32 Ca 0.00 0.12 -0.75 0.00 -0.84 0.00 0.00 61.79 60.32 1xee h SER 32 Cb 0.00 0.27 -0.23 0.00 0.14 0.00 0.00 62.40 62.58 1xee h SER 32 CO 0.00 -0.16 0.06 -0.83 -1.14 0.00 0.00 176.83 174.77 1xee s GLY 33 N -2.99 2.19 0.00 -3.77 0.00 -1.26 -4.83 107.32 96.66 1xee s GLY 33 Ca -0.14 -2.75 0.00 0.00 0.00 0.00 0.00 44.72 41.83 1xee s GLY 33 CO 0.70 1.39 0.00 1.04 0.00 0.00 0.00 173.10 176.23 1xee n LEU 34 N 5.20 -1.45 -4.70 0.66 4.77 -1.26 -4.99 117.00 115.23 1xee n LEU 34 Ca -0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 1xee n LEU 34 Cb 0.44 -0.72 0.12 0.00 -2.33 0.00 0.00 43.42 40.92 1xee n LEU 34 CO 0.48 0.00 0.78 -2.84 -1.33 0.00 0.00 177.39 174.48 1xee s PRO 35 N -0.94 1.72 -0.45 3.23 0.02 -1.26 -4.85 135.00 132.48 1xee s PRO 35 Ca 0.00 1.77 -0.17 0.00 0.02 0.00 0.00 61.00 62.62 1xee s PRO 35 Cb 0.00 -1.78 0.04 0.00 0.02 0.00 0.00 34.50 32.78 1xee s PRO 35 CO 0.00 -2.15 0.48 0.99 -0.33 0.00 0.00 177.00 175.98 1xee s THR 36 N -2.10 5.06 0.11 0.99 2.01 -1.26 -5.05 115.64 115.40 1xee s THR 36 Ca 0.74 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 62.25 1xee s THR 36 Cb -0.29 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 1xee s THR 36 CO 0.50 -0.54 0.24 0.42 -0.69 0.00 0.00 174.62 174.54 1xee s THR 37 N 2.18 5.28 0.25 -0.82 -4.23 -1.26 -3.24 115.64 113.79 1xee s THR 37 Ca 0.11 -0.58 -0.04 0.00 -1.18 0.00 0.00 61.69 60.00 1xee s THR 37 Cb -0.19 -3.65 0.22 0.00 1.34 0.00 0.00 72.50 70.21 1xee s THR 37 CO 0.12 0.01 1.82 0.25 -0.54 0.00 0.00 174.62 176.28 1xee h LEU 38 N 2.59 0.72 -2.42 4.79 5.85 -0.32 -0.72 115.31 125.81 1xee h LEU 38 Ca -0.47 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.31 1xee h LEU 38 Cb 1.18 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 1xee h LEU 38 CO 0.71 0.43 0.12 1.23 -0.34 0.00 0.00 178.44 180.59 1xee h GLY 39 N 0.84 0.00 1.48 3.75 0.00 -1.53 0.13 103.07 107.74 1xee h GLY 39 Ca 0.40 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.43 1xee h GLY 39 CO -0.23 0.00 -1.35 1.70 0.00 0.00 0.00 176.54 176.66 1xee h LYS 40 N 0.00 0.36 -0.23 4.80 1.63 -1.38 -1.71 116.57 120.04 1xee h LYS 40 Ca 0.04 -0.61 -0.04 0.00 -0.85 0.00 0.00 60.65 59.18 1xee h LYS 40 Cb 0.28 0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 32.13 1xee h LYS 40 CO -0.00 1.29 -0.03 -0.07 -3.45 0.00 0.00 179.45 177.19 1xee h LEU 41 N 0.10 0.42 -0.41 5.20 3.38 -1.05 -1.93 115.31 121.01 1xee h LEU 41 Ca -0.18 -0.34 0.08 0.00 0.09 0.00 0.00 57.88 57.53 1xee h LEU 41 Cb 2.04 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 42.60 1xee h LEU 41 CO 0.22 0.66 -0.11 -0.78 0.09 0.00 0.00 178.44 178.53 1xee h ASP 42 N 0.17 -0.39 -0.64 -0.43 3.58 -0.81 0.29 116.42 118.19 1xee h ASP 42 Ca 0.06 0.13 0.13 0.00 0.42 0.00 0.00 57.03 57.77 1xee h ASP 42 Cb 0.46 0.26 -0.11 0.00 1.72 0.00 0.00 39.33 41.66 1xee h ASP 42 CO 0.02 -0.14 0.03 -0.08 -2.88 0.00 0.00 179.24 176.18 1xee h GLU 43 N -0.00 0.13 0.18 0.28 4.81 -1.22 -0.63 114.58 118.13 1xee h GLU 43 Ca 0.20 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1xee h GLU 43 Cb 0.31 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1xee h GLU 43 CO -0.43 0.09 -0.09 0.00 -0.73 0.00 0.00 179.01 177.85 1xee h ARG 44 N 0.14 -0.24 -0.11 1.92 3.08 -0.47 -2.63 114.38 116.07 1xee h ARG 44 Ca 0.34 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.41 1xee h ARG 44 Cb 0.56 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1xee h ARG 44 CO -0.53 0.04 0.07 -0.07 -1.07 0.00 0.00 179.97 178.41 1xee h LEU 45 N -0.51 0.13 -0.73 3.04 3.38 -0.30 0.20 115.31 120.52 1xee h LEU 45 Ca -0.03 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1xee h LEU 45 Cb 0.39 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1xee h LEU 45 CO 0.04 0.11 0.47 0.03 0.09 0.00 0.00 178.44 179.18 1xee h ARG 46 N 0.14 0.91 -0.50 1.13 3.08 -1.18 -2.56 114.38 115.40 1xee h ARG 46 Ca 0.04 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 1xee h ARG 46 Cb -0.00 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 1xee h ARG 46 CO -0.01 0.60 -0.10 -0.91 -1.07 0.00 0.00 179.97 178.48 1xee h ASN 47 N 0.94 0.96 -0.87 7.04 2.35 -1.01 -3.26 115.58 121.72 1xee h ASN 47 Ca 0.28 -0.35 0.09 0.00 -0.55 0.00 0.00 56.30 55.77 1xee h ASN 47 Cb -0.04 -0.26 -0.06 0.00 0.05 0.00 0.00 38.32 38.01 1xee h ASN 47 CO -0.09 1.09 0.57 1.88 -1.65 0.00 0.00 177.43 179.23 1xee h TYR 48 N 0.82 0.94 -0.62 1.19 0.05 -0.29 -2.35 116.97 116.71 1xee h TYR 48 Ca 0.13 0.03 0.11 0.00 0.05 0.00 0.00 58.73 59.04 1xee h TYR 48 Cb 0.66 -0.31 -0.08 0.00 1.01 0.00 0.00 36.73 38.01 1xee h TYR 48 CO 0.05 0.45 0.19 -0.07 -1.05 0.00 0.00 178.16 177.73 1xee h LEU 49 N 0.89 0.13 -1.93 3.88 3.38 -1.51 -0.72 115.31 119.42 1xee h LEU 49 Ca 0.40 0.10 0.25 0.00 0.09 0.00 0.00 57.88 58.71 1xee h LEU 49 Cb 0.36 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1xee h LEU 49 CO -0.16 0.07 0.62 0.11 0.09 0.00 0.00 178.44 179.18 1xee h LYS 50 N 0.34 0.05 0.14 1.13 6.56 -1.53 0.11 116.57 123.37 1xee h LYS 50 Ca 0.32 -0.00 -0.28 0.00 -1.06 0.00 0.00 60.65 59.62 1xee h LYS 50 Cb 0.45 -0.01 0.02 0.00 -0.57 0.00 0.00 32.23 32.11 1xee h LYS 50 CO -0.36 0.03 -1.26 0.87 -2.06 0.00 0.00 179.45 176.68 1xee h LYS 51 N 0.05 0.39 0.00 3.15 6.56 -1.21 -3.41 116.57 122.10 1xee h LYS 51 Ca 0.42 -0.61 -0.04 0.00 -1.06 0.00 0.00 60.65 59.36 1xee h LYS 51 Cb 1.61 0.22 -0.01 0.00 -0.57 0.00 0.00 32.23 33.48 1xee h LYS 51 CO -0.03 1.27 -0.27 0.78 -2.06 0.00 0.00 179.45 179.15 1xee h GLY 52 N 1.07 0.00 -5.48 3.86 0.00 -1.21 -3.48 103.07 97.83 1xee h GLY 52 Ca -0.16 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.70 1xee h GLY 52 CO 0.22 0.00 -0.80 -1.08 0.00 0.00 0.00 176.54 174.88 1xee s THR 53 N -2.08 0.96 -1.95 4.70 -1.32 0.34 -5.01 115.64 111.29 1xee s THR 53 Ca -0.15 -0.46 0.00 0.00 -1.21 0.00 0.00 61.69 59.87 1xee s THR 53 Cb -0.00 -0.85 0.00 0.00 -1.51 0.00 0.00 72.50 70.14 1xee s THR 53 CO 0.45 0.29 0.46 0.29 -2.21 0.00 0.00 174.62 173.91 1xee n LYS 54 N 3.26 0.48 -3.63 7.08 5.02 -1.26 -3.94 118.16 125.16 1xee n LYS 54 Ca -0.18 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.83 1xee n LYS 54 Cb 0.54 -1.01 -0.09 0.00 -0.02 0.00 0.00 35.03 34.44 1xee n LYS 54 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1xee n ASN 55 N -0.46 3.55 -0.07 4.39 3.02 -1.26 -4.77 115.26 119.66 1xee n ASN 55 Ca 0.00 -3.33 -0.03 0.00 -0.03 0.00 0.00 54.58 51.18 1xee n ASN 55 Cb 0.01 -0.74 -0.15 0.00 -0.61 0.00 0.00 39.78 38.29 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 1.40 0.44 -0.31 6.41 7.64 -1.26 -1.71 113.62 126.23 1xee n SER 56 Ca 0.25 0.00 0.02 0.00 1.01 0.00 0.00 58.87 60.15 1xee n SER 56 Cb 0.38 1.25 0.05 0.00 -1.01 0.00 0.00 64.21 64.88 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 -2.53 2.53 1.08 -0.43 0.00 -1.26 -3.57 120.51 116.33 1xee n ALA 57 Ca -0.22 -0.23 0.12 0.00 0.00 0.00 0.00 53.44 53.11 1xee n ALA 57 Cb 0.92 -1.00 0.13 0.00 0.00 0.00 0.00 19.45 19.50 1xee n ALA 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1xee n GLN 58 N -0.11 0.96 -3.46 0.00 3.00 -0.70 -4.75 117.38 112.32 1xee n GLN 58 Ca 0.04 -0.73 -0.37 0.00 -0.01 0.00 0.00 57.00 55.94 1xee n GLN 58 Cb 0.16 -1.48 -0.07 0.00 0.00 0.00 0.00 30.24 28.84 1xee n GLN 58 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1xee s PHE 59 N -2.54 3.47 -0.15 1.08 0.08 -1.23 -0.19 117.98 118.50 1xee s PHE 59 Ca 0.19 0.68 0.17 0.00 0.12 0.00 0.00 56.93 58.09 1xee s PHE 59 Cb 0.18 -2.41 -0.24 0.00 -0.57 0.00 0.00 43.02 39.98 1xee s PHE 59 CO 0.58 0.21 0.26 -1.91 -0.10 0.00 0.00 175.22 174.26 1xee n GLU 60 N 3.64 0.67 -3.43 0.44 2.13 0.02 -4.40 120.64 119.72 1xee n GLU 60 Ca -0.10 0.07 -0.12 0.00 0.66 0.00 0.00 57.16 57.66 1xee n GLU 60 Cb 0.52 -1.60 -0.02 0.00 0.27 0.00 0.00 31.44 30.61 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 -2.58 1.25 0.02 5.31 -2.85 -1.04 -1.24 119.74 118.61 1xee s LYS 61 Ca -0.08 -0.45 -0.06 0.00 -1.00 0.00 0.00 55.97 54.38 1xee s LYS 61 Cb 0.07 0.58 -0.01 0.00 -2.06 0.00 0.00 37.83 36.41 1xee s LYS 61 CO 0.83 -0.55 0.10 0.00 0.10 0.00 0.00 175.35 175.83 1xee s MET 62 N -3.68 0.51 -0.13 1.78 0.23 0.13 0.76 119.30 118.90 1xee s MET 62 Ca 0.01 -0.59 0.02 0.00 -1.03 0.00 0.00 55.69 54.10 1xee s MET 62 Cb -0.01 0.20 0.01 0.00 -1.53 0.00 0.00 34.83 33.51 1xee s MET 62 CO -0.12 -0.12 -0.18 0.08 -2.03 0.00 0.00 175.02 172.64 1xee s VAL 63 N -1.96 1.78 -0.25 5.16 1.01 -0.04 -0.60 120.40 125.50 1xee s VAL 63 Ca -0.10 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 1xee s VAL 63 Cb -0.05 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 1xee s VAL 63 CO -0.02 0.50 0.06 -0.63 0.00 0.00 0.00 175.10 175.01 1xee s ILE 64 N 0.93 4.23 -0.18 2.22 1.01 0.43 -2.13 121.20 127.71 1xee s ILE 64 Ca -0.06 -0.21 -0.07 0.00 0.00 0.00 0.00 60.65 60.31 1xee s ILE 64 Cb -0.15 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 1xee s ILE 64 CO -0.02 0.34 0.05 -0.76 0.00 0.00 0.00 174.94 174.54 1xee s LEU 65 N 1.60 3.70 0.33 2.97 2.01 -1.12 -1.05 118.68 127.12 1xee s LEU 65 Ca 0.06 0.03 0.04 0.00 0.01 0.00 0.00 54.13 54.27 1xee s LEU 65 Cb -0.15 -1.93 -0.03 0.00 0.01 0.00 0.00 46.19 44.08 1xee s LEU 65 CO 0.03 0.16 0.17 0.42 1.01 0.00 0.00 176.35 178.14 1xee s THR 66 N 0.46 0.35 0.21 5.49 -4.23 0.04 -0.29 115.64 117.67 1xee s THR 66 Ca 0.02 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.50 1xee s THR 66 Cb -0.13 -2.49 0.05 0.00 1.34 0.00 0.00 72.50 71.28 1xee s THR 66 CO 0.01 0.00 0.17 -0.62 -0.54 0.00 0.00 174.62 173.64 1xee n GLU 67 N -0.65 -1.66 0.00 3.99 1.02 -1.13 -4.01 120.64 118.20 1xee n GLU 67 Ca 0.01 -0.27 0.00 0.00 -0.02 0.00 0.00 57.16 56.88 1xee n GLU 67 Cb 0.65 -0.28 0.00 0.00 -0.02 0.00 0.00 31.44 31.79 1xee n GLU 67 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xee n ASN 68 N -3.34 0.00 -1.04 1.62 3.02 -1.24 -1.65 115.26 112.63 1xee n ASN 68 Ca 0.02 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.55 1xee n ASN 68 Cb 0.10 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.23 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 0.00 -2.76 3.52 2.85 -1.26 -4.23 118.16 116.28 1xee n LYS 69 Ca 0.00 -1.14 -0.43 0.00 -1.05 0.00 0.00 58.31 55.69 1xee n LYS 69 Cb 0.00 0.24 -0.03 0.00 -0.65 0.00 0.00 35.03 34.59 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 -1.14 1.50 -0.46 2.58 0.00 -0.66 -4.91 107.32 104.22 1xee s GLY 70 Ca 0.09 -2.27 0.04 0.00 0.00 0.00 0.00 44.72 42.57 1xee s GLY 70 CO -0.05 2.29 0.21 -0.47 0.00 0.00 0.00 173.10 175.08 1xee s TYR 71 N 3.97 3.10 -0.22 1.90 6.14 -1.26 -0.78 117.35 130.22 1xee s TYR 71 Ca 0.35 -3.00 -0.06 0.00 0.64 0.00 0.00 57.07 55.00 1xee s TYR 71 Cb -0.06 -2.69 -0.02 0.00 0.42 0.00 0.00 41.96 39.61 1xee s TYR 71 CO -0.03 -0.80 0.02 0.71 0.64 0.00 0.00 175.55 176.09 1xee s TYR 72 N 0.11 3.05 -0.38 4.97 2.02 -0.21 -4.98 117.35 121.93 1xee s TYR 72 Ca 0.16 -0.48 -0.14 0.00 -0.37 0.00 0.00 57.07 56.23 1xee s TYR 72 Cb -0.24 -2.13 0.00 0.00 -0.40 0.00 0.00 41.96 39.20 1xee s TYR 72 CO -0.03 -0.29 0.28 0.99 -1.57 0.00 0.00 175.55 174.94 1xee s THR 73 N 1.20 5.26 -0.06 -0.71 2.01 -1.26 -0.43 115.64 121.64 1xee s THR 73 Ca 0.03 -0.45 0.05 0.00 0.31 0.00 0.00 61.69 61.63 1xee s THR 73 Cb -0.14 -3.85 -0.01 0.00 0.01 0.00 0.00 72.50 68.51 1xee s THR 73 CO 0.02 -0.19 -0.23 -0.69 -0.69 0.00 0.00 174.62 172.84 1xee s VAL 74 N 1.72 1.92 -0.40 3.82 1.01 0.23 -5.02 120.40 123.68 1xee s VAL 74 Ca 0.06 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 60.99 1xee s VAL 74 Cb -0.18 -1.63 0.08 0.00 0.00 0.00 0.00 36.38 34.65 1xee s VAL 74 CO 0.10 0.53 0.21 -0.31 0.00 0.00 0.00 175.10 175.64 1xee s TYR 75 N -0.03 3.39 0.54 5.22 1.51 -1.26 0.18 117.35 126.90 1xee s TYR 75 Ca -0.06 -1.80 0.29 0.00 -1.01 0.00 0.00 57.07 54.49 1xee s TYR 75 Cb -0.14 -2.90 0.99 0.00 -0.11 0.00 0.00 41.96 39.80 1xee s TYR 75 CO 0.04 -0.87 1.22 1.28 -1.11 0.00 0.00 175.55 176.11 1xee n LEU 76 N 4.80 0.00 0.15 -1.29 4.77 -0.37 -2.01 117.00 123.04 1xee n LEU 76 Ca -0.09 0.73 0.13 0.00 -0.03 0.00 0.00 56.01 56.76 1xee n LEU 76 Cb 0.43 -0.28 0.37 0.00 -2.33 0.00 0.00 43.42 41.61 1xee n LEU 76 CO 0.36 -0.73 0.87 -1.13 -1.33 0.00 0.00 177.39 175.42 1xee h ASN 77 N 0.00 0.00 -3.97 -1.43 -1.24 -1.58 -3.43 115.58 103.93 1xee h ASN 77 Ca 0.54 0.00 -0.69 0.00 0.71 0.00 0.00 56.30 56.86 1xee h ASN 77 Cb 2.83 0.00 -0.22 0.00 0.73 0.00 0.00 38.32 41.66 1xee h ASN 77 CO -0.01 0.00 -0.82 0.42 -1.29 0.00 0.00 177.43 175.73 1xee s THR 78 N -3.20 2.63 0.12 -3.57 -4.23 -0.85 -5.13 115.64 101.41 1xee s THR 78 Ca 0.08 -1.36 -0.31 0.00 -1.18 0.00 0.00 61.69 58.92 1xee s THR 78 Cb 0.10 -2.12 -0.09 0.00 1.34 0.00 0.00 72.50 71.73 1xee s THR 78 CO 0.59 0.26 1.48 -2.84 -0.54 0.00 0.00 174.62 173.56 1xee s PRO 79 N -1.63 4.27 -0.31 3.99 0.02 -1.26 -4.74 135.00 135.34 1xee s PRO 79 Ca 0.15 2.19 -0.40 0.00 0.02 0.00 0.00 61.00 62.96 1xee s PRO 79 Cb -0.10 -3.26 -0.15 0.00 0.02 0.00 0.00 34.50 31.00 1xee s PRO 79 CO 0.06 -0.53 1.81 -0.11 -0.33 0.00 0.00 177.00 177.89 1xee n LEU 80 N 4.16 2.26 -4.77 -5.54 7.94 -1.26 -4.96 117.00 114.84 1xee n LEU 80 Ca 0.13 1.00 -0.41 0.00 -1.11 0.00 0.00 56.01 55.62 1xee n LEU 80 Cb 0.41 -1.13 0.01 0.00 0.53 0.00 0.00 43.42 43.23 1xee n LEU 80 CO 0.60 -0.48 1.10 0.00 -1.11 0.00 0.00 177.39 177.49 1xee n ALA 81 N 5.89 2.18 0.27 1.96 0.00 -1.26 -4.72 120.51 124.84 1xee n ALA 81 Ca 0.29 0.31 0.13 0.00 0.00 0.00 0.00 53.44 54.17 1xee n ALA 81 Cb 0.12 -2.40 0.78 0.00 0.00 0.00 0.00 19.45 17.95 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 2.66 0.00 -0.02 0.00 9.09 -1.99 0.11 114.58 124.44 1xee h GLU 82 Ca -0.51 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 58.74 1xee h GLU 82 Cb 1.26 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.34 1xee h GLU 82 CO 0.63 0.08 -0.74 0.38 0.05 0.00 0.00 179.01 179.40 1xee h ASP 83 N 0.00 0.16 0.72 3.06 2.03 -1.97 -2.74 116.42 117.67 1xee h ASP 83 Ca -0.00 -0.11 0.00 0.00 -0.73 0.00 0.00 57.03 56.19 1xee h ASP 83 Cb 0.20 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 38.65 1xee h ASP 83 CO 0.01 0.84 -0.87 0.54 -1.03 0.00 0.00 179.24 178.73 1xee n ARG 84 N -3.73 0.36 0.01 4.15 1.74 -0.28 -3.32 116.66 115.59 1xee n ARG 84 Ca -0.02 0.06 -0.03 0.00 -0.77 0.00 0.00 57.85 57.09 1xee n ARG 84 Cb 0.71 -1.68 0.23 0.00 -1.02 0.00 0.00 32.46 30.70 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 0.50 -0.70 5.56 1.57 -0.54 -2.41 116.57 120.55 1xee h LYS 85 Ca 0.00 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 1xee h LYS 85 Cb 0.80 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 1xee h LYS 85 CO 0.00 0.66 0.04 -1.71 -0.57 0.00 0.00 179.45 177.87 1xee n ASN 86 N -4.17 4.64 -4.68 0.86 4.05 -1.16 -2.04 115.26 112.76 1xee n ASN 86 Ca 0.00 -2.77 -0.42 0.00 0.45 0.00 0.00 54.58 51.83 1xee n ASN 86 Cb 0.36 -0.66 -0.03 0.00 1.23 0.00 0.00 39.78 40.68 1xee n ASN 86 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1xee s VAL 87 N -2.40 4.11 0.72 3.44 1.01 -0.91 -4.93 120.40 121.45 1xee s VAL 87 Ca 0.43 1.41 -0.12 0.00 0.00 0.00 0.00 61.98 63.70 1xee s VAL 87 Cb 0.33 -3.91 0.03 0.00 0.00 0.00 0.00 36.38 32.83 1xee s VAL 87 CO 0.12 -0.05 1.10 -1.61 0.00 0.00 0.00 175.10 174.65 1xee s GLU 88 N 2.84 2.50 -0.55 2.72 0.41 -1.26 0.24 118.70 125.60 1xee s GLU 88 Ca 0.58 1.26 -0.18 0.00 -0.41 0.00 0.00 54.97 56.22 1xee s GLU 88 Cb -0.25 -1.92 0.10 0.00 -1.78 0.00 0.00 34.13 30.28 1xee s GLU 88 CO 0.21 -1.46 0.59 -0.51 -0.49 0.00 0.00 175.26 173.59 1xee s LEU 89 N -5.47 5.63 0.00 1.80 1.43 -1.20 -4.75 118.68 116.13 1xee s LEU 89 Ca 0.63 -1.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.26 1xee s LEU 89 Cb -0.18 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.76 1xee s LEU 89 CO 0.50 -0.95 0.00 0.18 0.23 0.00 0.00 176.35 176.31 1xee n LEU 90 N 5.82 0.00 0.00 1.79 4.77 -1.26 -4.90 117.00 123.21 1xee n LEU 90 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1xee n LEU 90 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1xee n LEU 90 CO 0.55 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1xee n GLY 91 N 1.55 0.68 3.77 -0.72 0.00 -1.26 -3.61 105.19 105.60 1xee n GLY 91 Ca 0.00 -2.16 -0.38 0.00 0.00 0.00 0.00 46.02 43.48 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 -0.88 4.00 -0.32 1.61 -0.14 -1.26 -4.52 119.74 118.23 1xee s LYS 92 Ca 0.00 1.86 -0.28 0.00 -1.36 0.00 0.00 55.97 56.18 1xee s LYS 92 Cb 0.00 -2.64 -0.02 0.00 -1.68 0.00 0.00 37.83 33.49 1xee s LYS 92 CO 0.00 -0.37 1.74 1.41 -0.76 0.00 0.00 175.35 177.37 1xee s MET 93 N -2.35 3.42 -0.02 1.68 1.75 -1.26 -2.83 119.30 119.69 1xee s MET 93 Ca 0.58 1.42 -0.14 0.00 -1.25 0.00 0.00 55.69 56.30 1xee s MET 93 Cb -0.31 -4.16 -0.08 0.00 2.84 0.00 0.00 34.83 33.12 1xee s MET 93 CO 0.39 -1.75 0.69 -0.92 -0.65 0.00 0.00 175.02 172.78 1xee h TYR 94 N 12.39 -0.45 -1.94 4.11 3.20 -0.92 -1.55 116.97 131.81 1xee h TYR 94 Ca -0.33 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.51 1xee h TYR 94 Cb 1.16 0.15 -0.20 0.00 1.54 0.00 0.00 36.73 39.38 1xee h TYR 94 CO 0.95 -0.28 0.28 0.21 -1.64 0.00 0.00 178.16 177.69 1xee s LYS 95 N -3.26 0.95 -0.17 1.82 2.20 -1.21 -2.30 119.74 117.77 1xee s LYS 95 Ca -0.07 0.19 0.01 0.00 -0.36 0.00 0.00 55.97 55.74 1xee s LYS 95 Cb 0.01 0.45 0.01 0.00 -1.51 0.00 0.00 37.83 36.79 1xee s LYS 95 CO 0.21 -0.30 -0.18 0.99 -0.36 0.00 0.00 175.35 175.71 1xee s THR 96 N -1.31 2.27 -0.22 3.43 2.01 0.58 -2.80 115.64 119.61 1xee s THR 96 Ca -0.08 -0.88 -0.05 0.00 0.31 0.00 0.00 61.69 60.99 1xee s THR 96 Cb -0.00 -1.95 -0.02 0.00 0.01 0.00 0.00 72.50 70.54 1xee s THR 96 CO 0.07 0.53 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.20 1xee s TYR 97 N 1.13 3.00 -0.21 4.92 2.02 -0.90 -1.24 117.35 126.07 1xee s TYR 97 Ca 0.01 -0.71 -0.06 0.00 -0.37 0.00 0.00 57.07 55.94 1xee s TYR 97 Cb -0.14 -2.12 -0.03 0.00 -0.40 0.00 0.00 41.96 39.27 1xee s TYR 97 CO -0.08 -0.43 0.04 -0.06 -1.57 0.00 0.00 175.55 173.45 1xee s PHE 98 N 1.36 3.11 -0.37 2.71 0.40 0.70 -0.86 117.98 125.03 1xee s PHE 98 Ca 0.04 -0.27 -0.10 0.00 -0.60 0.00 0.00 56.93 56.00 1xee s PHE 98 Cb -0.14 -2.12 0.03 0.00 0.51 0.00 0.00 43.02 41.29 1xee s PHE 98 CO -0.00 -0.14 0.19 -0.06 0.70 0.00 0.00 175.22 175.91 1xee s PHE 99 N 0.95 3.24 0.68 0.36 0.08 0.23 0.19 117.98 123.71 1xee s PHE 99 Ca 0.03 -1.01 -0.17 0.00 0.12 0.00 0.00 56.93 55.90 1xee s PHE 99 Cb -0.14 -2.41 -0.00 0.00 -0.57 0.00 0.00 43.02 39.89 1xee s PHE 99 CO 0.02 -0.65 1.13 1.17 -0.10 0.00 0.00 175.22 176.79 1xee n LYS 100 N 4.97 0.79 -2.14 0.44 4.81 -1.26 -0.80 118.16 124.98 1xee n LYS 100 Ca -0.12 0.33 -0.34 0.00 -0.87 0.00 0.00 58.31 57.31 1xee n LYS 100 Cb 0.46 -2.37 -0.04 0.00 0.02 0.00 0.00 35.03 33.10 1xee n LYS 100 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1xee s LYS 101 N -3.34 2.73 0.00 1.64 2.20 0.73 -0.65 119.74 123.06 1xee s LYS 101 Ca 0.78 0.02 0.00 0.00 -0.36 0.00 0.00 55.97 56.41 1xee s LYS 101 Cb -0.37 -4.72 0.00 0.00 -1.51 0.00 0.00 37.83 31.23 1xee s LYS 101 CO 0.45 -2.89 0.00 0.41 -0.36 0.00 0.00 175.35 172.96 1xee n GLY 102 N 6.23 1.18 3.41 5.54 0.00 -1.26 -4.99 105.19 115.30 1xee n GLY 102 Ca 0.28 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.95 1xee n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xee s GLU 103 N -0.22 3.56 0.00 1.61 0.41 0.17 -4.95 118.70 119.27 1xee s GLU 103 Ca 0.00 -0.55 0.24 0.00 -0.41 0.00 0.00 54.97 54.26 1xee s GLU 103 Cb 0.00 -3.07 1.43 0.00 -1.78 0.00 0.00 34.13 30.70 1xee s GLU 103 CO 0.00 -0.05 1.81 0.43 -0.49 0.00 0.00 175.26 176.96 1xee n SER 104 N 4.41 0.00 -4.83 -0.19 7.64 -1.26 -4.28 113.62 115.11 1xee n SER 104 Ca -0.17 -0.70 -0.38 0.00 1.01 0.00 0.00 58.87 58.63 1xee n SER 104 Cb 0.52 -0.02 -0.06 0.00 -1.01 0.00 0.00 64.21 63.63 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 -2.05 3.85 -0.42 1.43 1.02 -1.26 -5.04 119.74 117.27 1xee s LYS 105 Ca 0.35 0.23 -0.27 0.00 0.02 0.00 0.00 55.97 56.30 1xee s LYS 105 Cb 0.17 -3.25 -0.03 0.00 -0.52 0.00 0.00 37.83 34.20 1xee s LYS 105 CO 0.29 0.64 1.98 0.45 -0.92 0.00 0.00 175.35 177.78 1xee s SER 106 N -0.80 5.40 0.21 2.83 0.15 -1.26 -4.33 113.70 115.90 1xee s SER 106 Ca 0.21 1.07 0.23 0.00 0.70 0.00 0.00 55.95 58.15 1xee s SER 106 Cb -0.15 -2.52 0.09 0.00 -1.71 0.00 0.00 66.02 61.73 1xee s SER 106 CO 0.10 -2.14 1.14 0.28 1.20 0.00 0.00 173.24 173.82 1xee h SER 107 N 14.95 0.00 -3.49 5.45 0.02 -0.63 -3.46 113.55 126.39 1xee h SER 107 Ca -0.31 -0.04 -0.17 0.00 -0.84 0.00 0.00 61.79 60.44 1xee h SER 107 Cb 1.19 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 63.46 1xee h SER 107 CO 1.10 0.02 -0.42 -0.47 -1.14 0.00 0.00 176.83 175.92 1xee s TYR 108 N -3.32 -0.37 -0.02 3.45 5.04 -0.89 -5.00 117.35 116.24 1xee s TYR 108 Ca 0.01 0.86 0.05 0.00 -2.44 0.00 0.00 57.07 55.56 1xee s TYR 108 Cb 0.10 0.10 -0.01 0.00 0.35 0.00 0.00 41.96 42.50 1xee s TYR 108 CO 0.77 -0.22 -0.18 0.54 -1.34 0.00 0.00 175.55 175.11 1xee s VAL 109 N 0.91 1.47 0.14 3.14 0.11 -1.26 -0.21 120.40 124.69 1xee s VAL 109 Ca -0.06 -0.78 0.09 0.00 -2.93 0.00 0.00 61.98 58.30 1xee s VAL 109 Cb -0.07 -1.23 -0.04 0.00 -1.53 0.00 0.00 36.38 33.50 1xee s VAL 109 CO -0.06 0.42 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.34 1xee s ILE 110 N -0.30 2.94 0.09 7.04 1.01 -0.37 -4.99 121.20 126.62 1xee s ILE 110 Ca 0.04 -1.58 0.10 0.00 0.00 0.00 0.00 60.65 59.21 1xee s ILE 110 Cb -0.09 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 1xee s ILE 110 CO 0.00 0.02 -0.24 0.54 0.00 0.00 0.00 174.94 175.26 1xee s ASN 111 N -2.40 3.45 0.08 3.58 2.20 -1.26 -0.30 114.94 120.29 1xee s ASN 111 Ca 0.20 -0.62 0.01 0.00 -0.94 0.00 0.00 52.86 51.52 1xee s ASN 111 Cb -0.10 -0.36 -0.00 0.00 -2.00 0.00 0.00 41.25 38.79 1xee s ASN 111 CO 0.12 0.22 0.05 0.61 -2.94 0.00 0.00 177.10 175.15 1xee n GLY 112 N 1.25 3.86 0.00 0.45 0.00 -0.97 -4.90 105.19 104.88 1xee n GLY 112 Ca -0.17 -1.84 0.08 0.00 0.00 0.00 0.00 46.02 44.09 1xee n GLY 112 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xee n PRO 113 N -0.17 0.78 -2.41 1.61 -0.02 -1.14 -4.74 135.00 128.92 1xee n PRO 113 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.12 1xee n PRO 113 Cb 0.13 -1.32 -0.02 0.00 -0.02 0.00 0.00 33.50 32.27 1xee n PRO 113 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1xee s GLY 114 N -1.71 2.73 -0.06 -1.23 0.00 -0.60 -4.94 107.32 101.50 1xee s GLY 114 Ca 0.24 0.80 0.05 0.00 0.00 0.00 0.00 44.72 45.81 1xee s GLY 114 CO 0.18 1.23 0.01 1.17 0.00 0.00 0.00 173.10 175.69 1xee n LYS 115 N -0.38 2.78 -3.83 2.90 3.00 -1.26 -4.66 118.16 116.70 1xee n LYS 115 Ca 0.07 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.26 1xee n LYS 115 Cb 0.49 -1.15 -0.09 0.00 0.00 0.00 0.00 35.03 34.27 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 -2.15 0.08 -0.88 3.15 -1.32 -1.26 -5.04 115.64 108.22 1xee s THR 116 Ca -0.04 -0.62 0.11 0.00 -1.21 0.00 0.00 61.69 59.93 1xee s THR 116 Cb 0.02 -0.50 0.30 0.00 -1.51 0.00 0.00 72.50 70.81 1xee s THR 116 CO 0.24 -0.34 1.25 0.59 -2.21 0.00 0.00 174.62 174.15 1xee n ASN 117 N 1.37 2.93 -0.03 8.08 4.13 -1.26 -3.99 115.26 126.49 1xee n ASN 117 Ca -0.22 -2.03 -0.04 0.00 1.68 0.00 0.00 54.58 53.97 1xee n ASN 117 Cb 0.56 -0.23 -0.03 0.00 -1.54 0.00 0.00 39.78 38.53 1xee n ASN 117 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1xee h GLU 118 N 1.97 -0.05 -2.50 3.52 5.08 -1.89 -3.37 114.58 117.33 1xee h GLU 118 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1xee h GLU 118 Cb 0.75 0.01 -0.19 0.00 0.50 0.00 0.00 28.75 29.82 1xee h GLU 118 CO 0.01 0.17 0.01 1.52 -1.00 0.00 0.00 179.01 179.71 1xee s TYR 119 N -1.90 -0.45 -0.37 4.33 1.13 -1.26 -4.05 117.35 114.77 1xee s TYR 119 Ca -0.05 0.71 0.14 0.00 -1.41 0.00 0.00 57.07 56.46 1xee s TYR 119 Cb -0.00 0.29 0.42 0.00 -1.10 0.00 0.00 41.96 41.57 1xee s TYR 119 CO 0.17 -0.54 0.93 0.00 -2.51 0.00 0.00 175.55 173.59 1xee n ALA 120 N 0.92 3.48 -0.26 9.51 0.00 -1.26 -4.33 120.51 128.56 1xee n ALA 120 Ca -0.20 -3.50 0.00 0.00 0.00 0.00 0.00 53.44 49.74 1xee n ALA 120 Cb 0.57 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1xee n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48