#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 4.74 -0.45 1.20 7.64 -1.26 -4.72 113.62 120.77 1xee n SER 32 Ca 0.00 -3.70 0.01 0.00 1.01 0.00 0.00 58.87 56.19 1xee n SER 32 Cb 0.00 -0.40 0.01 0.00 -1.01 0.00 0.00 64.21 62.82 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 -0.60 0.96 3.70 0.23 0.00 -1.26 -5.02 105.19 103.21 1xee n GLY 33 Ca 0.41 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.31 4.39 -1.08 0.99 1.43 -1.26 -4.88 118.68 117.96 1xee s LEU 34 Ca 0.03 2.79 -0.23 0.00 -1.03 0.00 0.00 54.13 55.69 1xee s LEU 34 Cb 0.03 -3.58 -0.12 0.00 0.03 0.00 0.00 46.19 42.55 1xee s LEU 34 CO 0.00 -0.99 1.94 -2.65 0.23 0.00 0.00 176.35 174.89 1xee n PRO 35 N 5.10 1.37 -3.30 1.29 -0.02 -1.26 -4.92 135.00 133.26 1xee n PRO 35 Ca 0.17 -2.26 -0.37 0.00 -2.02 0.00 0.00 63.50 59.02 1xee n PRO 35 Cb 0.37 -3.61 -0.06 0.00 -0.02 0.00 0.00 33.50 30.18 1xee n PRO 35 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1xee s THR 36 N 10.86 4.78 0.48 3.45 -1.32 -1.26 -5.09 115.64 127.53 1xee s THR 36 Ca 0.68 1.06 0.08 0.00 -1.21 0.00 0.00 61.69 62.30 1xee s THR 36 Cb 0.01 -3.82 0.02 0.00 -1.51 0.00 0.00 72.50 67.20 1xee s THR 36 CO 0.15 0.40 0.53 0.42 -2.21 0.00 0.00 174.62 173.91 1xee s THR 37 N -1.29 2.45 0.11 5.08 -4.23 -1.26 -3.97 115.64 112.53 1xee s THR 37 Ca 0.34 -1.20 -0.21 0.00 -1.18 0.00 0.00 61.69 59.44 1xee s THR 37 Cb -0.17 -2.65 -0.08 0.00 1.34 0.00 0.00 72.50 70.94 1xee s THR 37 CO 0.19 0.00 1.74 0.25 -0.54 0.00 0.00 174.62 176.26 1xee h LEU 38 N 0.67 0.01 -1.81 4.79 7.12 -0.17 0.21 115.31 126.13 1xee h LEU 38 Ca -0.37 0.02 -0.02 0.00 0.13 0.00 0.00 57.88 57.64 1xee h LEU 38 Cb 1.28 0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 41.43 1xee h LEU 38 CO 0.50 0.03 -0.08 1.23 -0.13 0.00 0.00 178.44 179.99 1xee h GLY 39 N 0.09 0.00 0.77 3.75 0.00 -1.28 0.36 103.07 106.76 1xee h GLY 39 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.26 1xee h GLY 39 CO -0.08 0.00 -0.47 1.70 0.00 0.00 0.00 176.54 177.69 1xee h LYS 40 N 0.00 0.41 0.55 4.80 3.64 -1.68 -3.15 116.57 121.14 1xee h LYS 40 Ca -0.00 -0.37 -0.03 0.00 -1.27 0.00 0.00 60.65 58.98 1xee h LYS 40 Cb 0.41 0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1xee h LYS 40 CO 0.01 1.02 -0.27 1.25 -2.27 0.00 0.00 179.45 179.20 1xee h LEU 41 N -0.07 -0.63 -0.75 5.20 5.85 0.19 -2.51 115.31 122.59 1xee h LEU 41 Ca -0.04 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.74 1xee h LEU 41 Cb 1.15 0.16 -0.09 0.00 0.37 0.00 0.00 40.66 42.25 1xee h LEU 41 CO 0.10 -0.41 -0.44 -0.67 -0.34 0.00 0.00 178.44 176.68 1xee n ASP 42 N -5.39 -0.79 -0.36 1.25 2.03 0.12 -0.03 116.55 113.38 1xee n ASP 42 Ca -0.12 1.55 0.01 0.00 0.52 0.00 0.00 54.79 56.74 1xee n ASP 42 Cb 0.32 -0.28 0.07 0.00 -0.72 0.00 0.00 41.12 40.51 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 -0.01 -0.23 -0.67 4.81 -1.61 -0.86 114.58 116.00 1xee h GLU 43 Ca 0.12 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 1xee h GLU 43 Cb 0.31 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1xee h GLU 43 CO -0.70 -0.01 -0.08 -0.09 -0.73 0.00 0.00 179.01 177.40 1xee h ARG 44 N -0.01 0.47 -0.07 1.92 2.43 -0.76 -2.37 114.38 115.99 1xee h ARG 44 Ca 0.38 -0.19 0.02 0.00 -0.81 0.00 0.00 59.98 59.38 1xee h ARG 44 Cb 0.63 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 1xee h ARG 44 CO -0.97 0.72 -0.06 -0.07 -1.51 0.00 0.00 179.97 178.08 1xee h LEU 45 N 0.20 -0.18 -0.85 3.80 3.38 0.02 -0.95 115.31 120.73 1xee h LEU 45 Ca 0.06 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1xee h LEU 45 Cb 0.56 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1xee h LEU 45 CO 0.03 -0.08 0.57 0.03 0.09 0.00 0.00 178.44 179.07 1xee h ARG 46 N -0.07 1.12 -0.85 1.13 3.08 -1.09 -2.31 114.38 115.40 1xee h ARG 46 Ca 0.05 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.05 1xee h ARG 46 Cb 0.14 -0.25 -0.05 0.00 0.08 0.00 0.00 29.97 29.89 1xee h ARG 46 CO -0.11 0.74 0.55 -0.91 -1.07 0.00 0.00 179.97 179.17 1xee h ASN 47 N 1.16 0.94 -0.98 7.04 2.35 -0.85 -2.82 115.58 122.42 1xee h ASN 47 Ca 0.31 -0.02 0.26 0.00 -0.55 0.00 0.00 56.30 56.30 1xee h ASN 47 Cb -0.13 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 37.95 1xee h ASN 47 CO -0.07 0.66 0.67 1.88 -1.65 0.00 0.00 177.43 178.92 1xee h TYR 48 N 1.11 0.33 -0.87 1.19 0.05 -0.60 -1.58 116.97 116.59 1xee h TYR 48 Ca 0.33 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 59.11 1xee h TYR 48 Cb -0.06 -0.10 -0.04 0.00 1.01 0.00 0.00 36.73 37.54 1xee h TYR 48 CO -0.02 0.06 0.54 -0.07 -1.05 0.00 0.00 178.16 177.62 1xee h LEU 49 N 0.22 1.03 -1.21 3.88 4.07 -1.47 -2.92 115.31 118.91 1xee h LEU 49 Ca 0.50 -0.06 0.24 0.00 0.08 0.00 0.00 57.88 58.64 1xee h LEU 49 Cb 1.58 -0.26 -0.10 0.00 1.08 0.00 0.00 40.66 42.96 1xee h LEU 49 CO -0.13 0.78 0.63 0.11 -1.08 0.00 0.00 178.44 178.75 1xee h LYS 50 N 1.19 0.51 0.00 1.13 6.56 -1.37 0.50 116.57 125.09 1xee h LYS 50 Ca 0.31 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.87 1xee h LYS 50 Cb -0.07 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 31.47 1xee h LYS 50 CO -0.06 0.34 0.00 0.36 -2.06 0.00 0.00 179.45 178.03 1xee n LYS 51 N -4.71 0.14 0.00 3.15 2.85 -1.10 -4.67 118.16 113.83 1xee n LYS 51 Ca 0.25 0.14 -0.03 0.00 -1.05 0.00 0.00 58.31 57.62 1xee n LYS 51 Cb 0.75 -1.68 -0.01 0.00 -0.65 0.00 0.00 35.03 33.45 1xee n LYS 51 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1xee n GLY 52 N 1.27 -0.08 3.11 2.58 0.00 -0.15 -5.07 105.19 106.86 1xee n GLY 52 Ca 0.06 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.08 2.27 -2.02 2.61 -1.32 0.16 -4.97 115.64 110.28 1xee s THR 53 Ca -0.04 -1.29 0.10 0.00 -1.21 0.00 0.00 61.69 59.25 1xee s THR 53 Cb 0.01 -2.17 0.29 0.00 -1.51 0.00 0.00 72.50 69.12 1xee s THR 53 CO 0.06 0.20 1.25 1.17 -2.21 0.00 0.00 174.62 175.10 1xee n LYS 54 N 4.54 1.72 -2.83 7.08 4.81 -1.26 -3.88 118.16 128.35 1xee n LYS 54 Ca -0.17 -1.12 -0.27 0.00 -0.87 0.00 0.00 58.31 55.88 1xee n LYS 54 Cb 0.46 -1.25 -0.03 0.00 0.02 0.00 0.00 35.03 34.22 1xee n LYS 54 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1xee n ASN 55 N 0.41 4.46 0.24 3.14 6.94 -1.26 -4.83 115.26 124.35 1xee n ASN 55 Ca 0.11 -3.68 0.08 0.00 -0.02 0.00 0.00 54.58 51.07 1xee n ASN 55 Cb 0.27 -0.54 0.59 0.00 -2.36 0.00 0.00 39.78 37.74 1xee n ASN 55 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1xee h SER 56 N 2.88 0.00 0.04 0.53 0.02 -1.96 -0.29 113.55 114.78 1xee h SER 56 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1xee h SER 56 Cb 0.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 1xee h SER 56 CO 0.82 0.13 0.00 0.00 -1.14 0.00 0.00 176.83 176.64 1xee n ALA 57 N -2.46 1.35 0.09 3.77 0.00 -1.26 -1.60 120.51 120.39 1xee n ALA 57 Ca -0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 53.44 53.35 1xee n ALA 57 Cb 0.20 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.59 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 -5.31 0.00 4.15 -1.47 -3.43 115.11 109.04 1xee h GLN 58 Ca 0.00 0.00 -0.61 0.00 0.77 0.00 0.00 58.65 58.81 1xee h GLN 58 Cb 0.02 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 27.60 1xee h GLN 58 CO 0.00 0.87 -0.49 -0.06 -1.93 0.00 0.00 178.83 177.22 1xee s PHE 59 N -3.00 3.43 -0.11 3.99 0.08 -0.63 -2.21 117.98 119.53 1xee s PHE 59 Ca 0.00 0.35 -0.11 0.00 0.12 0.00 0.00 56.93 57.30 1xee s PHE 59 Cb 0.11 -2.14 -0.27 0.00 -0.57 0.00 0.00 43.02 40.15 1xee s PHE 59 CO 0.80 0.34 0.47 1.49 -0.10 0.00 0.00 175.22 178.22 1xee h GLU 60 N 6.49 0.27 -2.74 0.44 4.57 -1.45 -3.44 114.58 118.71 1xee h GLU 60 Ca -0.43 -0.46 -0.10 0.00 -1.18 0.00 0.00 59.36 57.19 1xee h GLU 60 Cb 1.16 0.17 -0.20 0.00 -0.16 0.00 0.00 28.75 29.72 1xee h GLU 60 CO 0.74 1.22 -0.15 -1.59 -1.18 0.00 0.00 179.01 178.05 1xee s LYS 61 N -2.53 0.75 -0.02 1.92 -2.85 -0.79 -1.28 119.74 114.93 1xee s LYS 61 Ca -0.21 0.01 0.04 0.00 -1.00 0.00 0.00 55.97 54.81 1xee s LYS 61 Cb 0.06 0.34 -0.01 0.00 -2.06 0.00 0.00 37.83 36.16 1xee s LYS 61 CO 0.77 -0.21 -0.15 0.00 0.10 0.00 0.00 175.35 175.87 1xee s MET 62 N -1.12 1.31 -0.22 1.78 0.23 0.84 0.39 119.30 122.52 1xee s MET 62 Ca -0.11 -0.53 -0.00 0.00 -1.03 0.00 0.00 55.69 54.01 1xee s MET 62 Cb -0.04 -1.24 0.03 0.00 -1.53 0.00 0.00 34.83 32.05 1xee s MET 62 CO 0.05 0.29 -0.12 0.08 -2.03 0.00 0.00 175.02 173.29 1xee s VAL 63 N -0.23 2.49 -0.36 5.16 1.01 0.52 -0.37 120.40 128.62 1xee s VAL 63 Ca 0.03 -1.04 -0.16 0.00 0.00 0.00 0.00 61.98 60.82 1xee s VAL 63 Cb -0.07 -2.21 -0.00 0.00 0.00 0.00 0.00 36.38 34.10 1xee s VAL 63 CO 0.00 0.32 0.39 -0.63 0.00 0.00 0.00 175.10 175.18 1xee s ILE 64 N 1.29 5.13 -0.22 2.22 1.01 0.77 -1.00 121.20 130.40 1xee s ILE 64 Ca 0.01 -0.03 -0.09 0.00 0.00 0.00 0.00 60.65 60.54 1xee s ILE 64 Cb -0.16 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.38 1xee s ILE 64 CO -0.08 -0.19 0.12 -0.76 0.00 0.00 0.00 174.94 174.04 1xee s LEU 65 N 2.08 4.02 0.35 2.97 2.01 0.76 -1.58 118.68 129.29 1xee s LEU 65 Ca 0.12 0.11 0.04 0.00 0.01 0.00 0.00 54.13 54.41 1xee s LEU 65 Cb -0.17 -2.06 -0.04 0.00 0.01 0.00 0.00 46.19 43.94 1xee s LEU 65 CO 0.12 0.11 0.14 0.42 1.01 0.00 0.00 176.35 178.16 1xee s THR 66 N 0.75 0.53 0.72 5.49 -4.23 -0.05 -0.10 115.64 118.74 1xee s THR 66 Ca 0.06 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.45 1xee s THR 66 Cb -0.13 -2.49 0.03 0.00 1.34 0.00 0.00 72.50 71.26 1xee s THR 66 CO 0.02 0.00 1.11 -1.61 -0.54 0.00 0.00 174.62 173.59 1xee s GLU 67 N -3.77 2.48 0.00 3.99 2.02 -1.16 -3.88 118.70 118.37 1xee s GLU 67 Ca 0.31 1.31 0.00 0.00 0.02 0.00 0.00 54.97 56.62 1xee s GLU 67 Cb 0.04 -1.91 0.00 0.00 0.10 0.00 0.00 34.13 32.36 1xee s GLU 67 CO 0.17 -1.49 0.00 0.09 0.02 0.00 0.00 175.26 174.04 1xee n ASN 68 N -2.98 0.00 -1.72 -0.19 3.02 0.52 -2.08 115.26 111.84 1xee n ASN 68 Ca 0.10 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.61 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 0.59 -2.50 3.52 2.85 -1.26 -1.42 118.16 119.93 1xee n LYS 69 Ca 0.00 -0.95 -0.40 0.00 -1.05 0.00 0.00 58.31 55.91 1xee n LYS 69 Cb 0.00 0.43 -0.03 0.00 -0.65 0.00 0.00 35.03 34.78 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 -0.91 0.93 -0.31 2.58 0.00 -0.88 -4.92 107.32 103.80 1xee s GLY 70 Ca 0.04 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.15 1xee s GLY 70 CO -0.06 2.74 0.08 -0.19 0.00 0.00 0.00 173.10 175.67 1xee s TYR 71 N 5.87 2.22 -0.12 1.90 1.51 -1.26 -0.87 117.35 126.60 1xee s TYR 71 Ca 0.42 -2.02 0.02 0.00 -1.01 0.00 0.00 57.07 54.47 1xee s TYR 71 Cb -0.06 -1.99 0.01 0.00 -0.11 0.00 0.00 41.96 39.82 1xee s TYR 71 CO 0.07 -0.88 -0.17 0.71 -1.11 0.00 0.00 175.55 174.17 1xee s TYR 72 N 1.44 2.20 -0.22 2.71 2.02 -0.62 -4.99 117.35 119.89 1xee s TYR 72 Ca 0.09 -1.10 -0.04 0.00 -0.37 0.00 0.00 57.07 55.65 1xee s TYR 72 Cb -0.18 -1.56 -0.01 0.00 -0.40 0.00 0.00 41.96 39.81 1xee s TYR 72 CO -0.20 -0.55 -0.02 0.99 -1.57 0.00 0.00 175.55 174.20 1xee s THR 73 N 1.01 3.57 -0.09 -0.71 2.01 -1.26 -0.17 115.64 120.01 1xee s THR 73 Ca -0.05 -0.43 -0.01 0.00 0.31 0.00 0.00 61.69 61.51 1xee s THR 73 Cb -0.15 -2.63 0.03 0.00 0.01 0.00 0.00 72.50 69.76 1xee s THR 73 CO -0.03 0.41 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.61 1xee s VAL 74 N 1.40 0.51 -0.46 3.82 1.01 0.51 -5.00 120.40 122.19 1xee s VAL 74 Ca 0.05 -0.03 -0.22 0.00 0.00 0.00 0.00 61.98 61.78 1xee s VAL 74 Cb -0.14 -0.68 0.03 0.00 0.00 0.00 0.00 36.38 35.58 1xee s VAL 74 CO -0.01 0.23 0.74 -0.31 0.00 0.00 0.00 175.10 175.74 1xee s TYR 75 N 1.91 3.01 0.40 5.22 2.02 -1.26 -0.11 117.35 128.54 1xee s TYR 75 Ca 0.04 0.04 0.28 0.00 -0.37 0.00 0.00 57.07 57.06 1xee s TYR 75 Cb -0.13 -3.57 0.94 0.00 -0.40 0.00 0.00 41.96 38.80 1xee s TYR 75 CO -0.06 -0.97 0.99 1.28 -1.57 0.00 0.00 175.55 175.22 1xee n LEU 76 N 6.58 0.00 0.03 -1.29 4.77 -0.41 -1.27 117.00 125.41 1xee n LEU 76 Ca 0.00 0.61 0.11 0.00 -0.03 0.00 0.00 56.01 56.71 1xee n LEU 76 Cb 0.48 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1xee n LEU 76 CO 0.57 -0.61 -0.09 -0.46 -1.33 0.00 0.00 177.39 175.47 1xee n ASN 77 N -3.01 0.58 -4.85 -1.43 6.94 -1.25 -4.88 115.26 107.36 1xee n ASN 77 Ca 0.24 -0.13 -0.37 0.00 -0.02 0.00 0.00 54.58 54.29 1xee n ASN 77 Cb 1.24 0.90 -0.06 0.00 -2.36 0.00 0.00 39.78 39.50 1xee n ASN 77 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1xee s THR 78 N -3.25 5.12 -0.17 5.53 -4.23 -0.40 -5.07 115.64 113.17 1xee s THR 78 Ca 0.02 0.68 -0.29 0.00 -1.18 0.00 0.00 61.69 60.92 1xee s THR 78 Cb 0.14 -3.65 -0.00 0.00 1.34 0.00 0.00 72.50 70.33 1xee s THR 78 CO 0.81 0.56 0.99 -2.16 -0.54 0.00 0.00 174.62 174.28 1xee s PRO 79 N -1.16 4.33 -0.99 3.99 0.04 -1.26 -4.82 135.00 135.12 1xee s PRO 79 Ca 0.23 1.31 -0.29 0.00 0.04 0.00 0.00 61.00 62.29 1xee s PRO 79 Cb -0.16 -3.59 -0.23 0.00 0.04 0.00 0.00 34.50 30.56 1xee s PRO 79 CO 0.12 -0.46 2.64 -0.11 0.04 0.00 0.00 177.00 179.23 1xee n LEU 80 N 5.64 0.15 -4.71 -3.56 7.94 -1.26 -4.98 117.00 116.23 1xee n LEU 80 Ca 0.09 0.12 -0.33 0.00 -1.11 0.00 0.00 56.01 54.79 1xee n LEU 80 Cb 0.48 -0.88 0.12 0.00 0.53 0.00 0.00 43.42 43.66 1xee n LEU 80 CO 0.51 -0.77 0.75 0.00 -1.11 0.00 0.00 177.39 176.77 1xee s ALA 81 N 8.25 1.87 0.26 1.96 0.00 -1.26 -4.75 121.76 128.09 1xee s ALA 81 Ca 1.35 0.72 -0.02 0.00 0.00 0.00 0.00 51.96 54.02 1xee s ALA 81 Cb -1.22 -3.45 0.50 0.00 0.00 0.00 0.00 23.12 18.95 1xee s ALA 81 CO 0.49 -2.24 1.78 1.05 0.00 0.00 0.00 175.76 176.85 1xee h GLU 82 N -1.00 0.67 -0.26 0.00 4.11 -2.00 -1.27 114.58 114.83 1xee h GLU 82 Ca -0.45 -0.04 -0.13 0.00 0.07 0.00 0.00 59.36 58.80 1xee h GLU 82 Cb 1.28 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 1xee h GLU 82 CO 0.46 0.44 -0.38 0.38 0.07 0.00 0.00 179.01 179.99 1xee h ASP 83 N 0.69 0.62 1.35 3.06 2.03 -1.98 -2.34 116.42 119.86 1xee h ASP 83 Ca 0.45 -0.27 -0.11 0.00 -0.73 0.00 0.00 57.03 56.37 1xee h ASP 83 Cb 0.57 -0.17 -0.02 0.00 -0.83 0.00 0.00 39.33 38.88 1xee h ASP 83 CO -0.33 0.94 -0.67 0.03 -1.03 0.00 0.00 179.24 178.18 1xee h ARG 84 N 0.49 0.00 -0.92 4.15 3.08 -1.76 -2.81 114.38 116.61 1xee h ARG 84 Ca 0.05 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.17 1xee h ARG 84 Cb 0.88 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.87 1xee h ARG 84 CO 0.08 0.44 0.59 0.87 -1.07 0.00 0.00 179.97 180.88 1xee h LYS 85 N 0.00 0.98 -0.64 0.04 1.57 -0.69 -2.58 116.57 115.25 1xee h LYS 85 Ca -0.03 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1xee h LYS 85 Cb 1.40 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1xee h LYS 85 CO 0.06 0.65 0.00 0.27 -0.57 0.00 0.00 179.45 179.86 1xee n ASN 86 N -4.50 4.60 -4.66 0.86 6.94 -1.18 -2.22 115.26 115.11 1xee n ASN 86 Ca 0.14 -2.53 -0.42 0.00 -0.02 0.00 0.00 54.58 51.75 1xee n ASN 86 Cb 0.23 -0.59 -0.03 0.00 -2.36 0.00 0.00 39.78 37.03 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 -2.05 3.59 0.79 3.53 1.01 -0.99 -4.92 120.40 121.36 1xee s VAL 87 Ca 0.47 0.71 -0.11 0.00 0.00 0.00 0.00 61.98 63.05 1xee s VAL 87 Cb 0.32 -3.47 0.06 0.00 0.00 0.00 0.00 36.38 33.30 1xee s VAL 87 CO 0.20 -0.07 1.09 -1.61 0.00 0.00 0.00 175.10 174.71 1xee s GLU 88 N 4.06 2.16 -0.27 2.72 0.41 -1.26 0.49 118.70 127.01 1xee s GLU 88 Ca 0.73 1.10 0.03 0.00 -0.41 0.00 0.00 54.97 56.42 1xee s GLU 88 Cb -0.33 -1.89 0.06 0.00 -1.78 0.00 0.00 34.13 30.19 1xee s GLU 88 CO 0.29 -1.69 -0.09 -0.51 -0.49 0.00 0.00 175.26 172.77 1xee s LEU 89 N -5.94 3.59 0.00 1.80 1.43 -1.25 -4.67 118.68 113.64 1xee s LEU 89 Ca 0.61 -1.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.25 1xee s LEU 89 Cb -0.17 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.49 1xee s LEU 89 CO 0.56 -0.21 0.13 0.00 0.23 0.00 0.00 176.35 177.06 1xee n LEU 90 N 4.42 0.00 0.00 1.79 -0.00 -1.26 -4.87 117.00 117.08 1xee n LEU 90 Ca -0.12 -0.13 0.00 0.00 -0.00 0.00 0.00 56.01 55.76 1xee n LEU 90 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.84 1xee n LEU 90 CO 0.21 -0.18 0.00 0.61 -0.00 0.00 0.00 177.39 178.04 1xee n GLY 91 N 1.91 0.71 3.83 1.47 0.00 -1.26 -4.21 105.19 107.65 1xee n GLY 91 Ca 0.00 -2.03 -0.38 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.00 4.00 0.13 1.61 3.01 -1.26 -4.80 119.74 121.43 1xee s LYS 92 Ca 0.00 0.50 -0.32 0.00 -1.01 0.00 0.00 55.97 55.14 1xee s LYS 92 Cb 0.00 -3.19 -0.12 0.00 -1.01 0.00 0.00 37.83 33.51 1xee s LYS 92 CO 0.00 0.65 1.74 -0.12 0.51 0.00 0.00 175.35 178.13 1xee n MET 93 N 1.64 2.55 -0.10 1.68 0.00 -1.26 -3.00 117.12 118.63 1xee n MET 93 Ca -0.12 0.92 -0.18 0.00 -0.00 0.00 0.00 57.70 58.32 1xee n MET 93 Cb 0.52 -2.77 -0.06 0.00 0.00 0.00 0.00 33.22 30.91 1xee n MET 93 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 175.97 176.95 1xee n TYR 94 N 4.72 0.00 -4.10 1.12 9.36 0.85 -0.68 117.16 128.43 1xee n TYR 94 Ca 0.18 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.24 1xee n TYR 94 Cb 0.33 -0.68 -0.15 0.00 -0.63 0.00 0.00 39.34 38.21 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 -2.62 0.38 -0.19 2.98 -0.14 -0.78 -0.63 119.74 118.75 1xee s LYS 95 Ca -0.31 -0.13 0.00 0.00 -1.36 0.00 0.00 55.97 54.18 1xee s LYS 95 Cb 0.09 -0.39 0.02 0.00 -1.68 0.00 0.00 37.83 35.86 1xee s LYS 95 CO 0.41 0.06 -0.17 0.99 -0.76 0.00 0.00 175.35 175.88 1xee s THR 96 N 0.07 2.26 -0.23 2.17 2.01 -0.11 -0.17 115.64 121.63 1xee s THR 96 Ca -0.00 -0.92 -0.06 0.00 0.31 0.00 0.00 61.69 61.02 1xee s THR 96 Cb -0.04 -1.99 -0.02 0.00 0.01 0.00 0.00 72.50 70.47 1xee s THR 96 CO -0.00 0.48 0.01 -0.31 -0.69 0.00 0.00 174.62 174.12 1xee s TYR 97 N 1.30 3.02 -0.31 4.92 2.02 -0.17 -0.51 117.35 127.62 1xee s TYR 97 Ca 0.04 -0.66 -0.10 0.00 -0.37 0.00 0.00 57.07 55.98 1xee s TYR 97 Cb -0.14 -2.17 -0.01 0.00 -0.40 0.00 0.00 41.96 39.24 1xee s TYR 97 CO -0.11 -0.44 0.17 -0.06 -1.57 0.00 0.00 175.55 173.54 1xee s PHE 98 N 1.51 3.19 -0.30 2.71 0.40 0.51 -0.36 117.98 125.64 1xee s PHE 98 Ca 0.06 -0.45 -0.09 0.00 -0.60 0.00 0.00 56.93 55.84 1xee s PHE 98 Cb -0.15 -2.37 -0.02 0.00 0.51 0.00 0.00 43.02 40.99 1xee s PHE 98 CO 0.00 -0.41 0.15 -0.06 0.70 0.00 0.00 175.22 175.60 1xee s PHE 99 N 1.64 3.17 0.63 0.36 0.08 0.16 -1.09 117.98 122.94 1xee s PHE 99 Ca 0.05 -0.43 -0.17 0.00 0.12 0.00 0.00 56.93 56.50 1xee s PHE 99 Cb -0.17 -2.34 -0.01 0.00 -0.57 0.00 0.00 43.02 39.93 1xee s PHE 99 CO 0.07 -0.39 1.17 0.15 -0.10 0.00 0.00 175.22 176.12 1xee s LYS 100 N 1.64 2.79 -0.30 0.44 1.02 -1.26 -1.41 119.74 122.65 1xee s LYS 100 Ca 0.05 1.67 -0.35 0.00 0.02 0.00 0.00 55.97 57.36 1xee s LYS 100 Cb -0.17 -1.92 -0.12 0.00 -0.52 0.00 0.00 37.83 35.11 1xee s LYS 100 CO 0.07 -1.32 2.10 1.17 -0.92 0.00 0.00 175.35 176.45 1xee n LYS 101 N -2.02 1.27 0.00 1.68 3.00 -0.94 -0.71 118.16 120.45 1xee n LYS 101 Ca 0.12 0.38 0.00 0.00 -0.00 0.00 0.00 58.31 58.82 1xee n LYS 101 Cb 0.50 -2.48 0.00 0.00 0.00 0.00 0.00 35.03 33.05 1xee n LYS 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1xee n GLY 102 N 5.96 3.18 3.63 3.14 0.00 -1.26 -4.98 105.19 114.86 1xee n GLY 102 Ca 0.37 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.89 4.03 0.00 1.61 0.41 0.12 -4.93 118.70 119.04 1xee s GLU 103 Ca 0.00 -0.20 0.30 0.00 -0.41 0.00 0.00 54.97 54.66 1xee s GLU 103 Cb 0.00 -3.60 1.80 0.00 -1.78 0.00 0.00 34.13 30.56 1xee s GLU 103 CO 0.00 -0.08 2.15 -1.13 -0.49 0.00 0.00 175.26 175.71 1xee n SER 104 N 4.72 0.00 -4.60 -0.19 3.41 -1.26 -4.34 113.62 111.35 1xee n SER 104 Ca -0.13 -1.01 -0.34 0.00 -0.26 0.00 0.00 58.87 57.13 1xee n SER 104 Cb 0.52 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.36 1xee n SER 104 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1xee s LYS 105 N -2.00 3.43 -0.01 4.33 -2.85 -1.26 -5.07 119.74 116.31 1xee s LYS 105 Ca 0.45 -0.44 -0.30 0.00 -1.00 0.00 0.00 55.97 54.68 1xee s LYS 105 Cb 0.21 -2.91 -0.03 0.00 -2.06 0.00 0.00 37.83 33.03 1xee s LYS 105 CO 0.35 0.45 1.05 -1.54 0.10 0.00 0.00 175.35 175.76 1xee s SER 106 N -0.18 7.25 -0.01 0.03 1.04 -1.26 -4.14 113.70 116.43 1xee s SER 106 Ca 0.05 1.73 0.13 0.00 0.48 0.00 0.00 55.95 58.34 1xee s SER 106 Cb -0.13 -2.57 -0.18 0.00 0.10 0.00 0.00 66.02 63.25 1xee s SER 106 CO 0.02 -0.37 0.40 -0.24 0.98 0.00 0.00 173.24 174.03 1xee n SER 107 N 4.23 1.38 -3.70 7.02 2.88 -0.25 -4.86 113.62 120.32 1xee n SER 107 Ca 0.08 -0.34 -0.15 0.00 -1.33 0.00 0.00 58.87 57.13 1xee n SER 107 Cb 0.49 1.35 -0.15 0.00 -0.75 0.00 0.00 64.21 65.16 1xee n SER 107 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1xee s TYR 108 N -2.63 -0.21 -0.01 0.66 6.14 -1.21 -5.04 117.35 115.05 1xee s TYR 108 Ca -0.01 0.62 0.06 0.00 0.64 0.00 0.00 57.07 58.38 1xee s TYR 108 Cb 0.09 -0.14 -0.02 0.00 0.42 0.00 0.00 41.96 42.31 1xee s TYR 108 CO 0.55 -0.24 -0.18 0.54 0.64 0.00 0.00 175.55 176.85 1xee s VAL 109 N 1.79 1.46 0.13 3.14 0.11 -1.26 -0.36 120.40 125.41 1xee s VAL 109 Ca -0.03 -0.84 0.04 0.00 -2.93 0.00 0.00 61.98 58.23 1xee s VAL 109 Cb -0.12 -1.22 -0.04 0.00 -1.53 0.00 0.00 36.38 33.47 1xee s VAL 109 CO -0.06 0.37 0.12 -0.63 -3.33 0.00 0.00 175.10 171.57 1xee s ILE 110 N -0.49 4.53 -0.08 7.04 1.01 0.33 -4.96 121.20 128.59 1xee s ILE 110 Ca 0.07 -0.95 0.05 0.00 0.00 0.00 0.00 60.65 59.82 1xee s ILE 110 Cb -0.07 -3.27 -0.01 0.00 0.01 0.00 0.00 42.46 39.12 1xee s ILE 110 CO -0.00 -0.02 -0.24 0.54 0.00 0.00 0.00 174.94 175.22 1xee s ASN 111 N -2.84 3.13 0.45 3.58 4.22 -1.26 -0.94 114.94 121.28 1xee s ASN 111 Ca 0.30 -0.52 0.06 0.00 -2.14 0.00 0.00 52.86 50.57 1xee s ASN 111 Cb -0.11 -1.08 -0.03 0.00 1.28 0.00 0.00 41.25 41.30 1xee s ASN 111 CO 0.23 0.21 0.18 -0.83 -2.04 0.00 0.00 177.10 174.85 1xee s GLY 112 N 0.03 2.47 0.00 0.45 0.00 0.20 -4.94 107.32 105.53 1xee s GLY 112 Ca -0.09 -1.71 0.26 0.00 0.00 0.00 0.00 44.72 43.18 1xee s GLY 112 CO 0.06 -1.98 1.92 -1.05 0.00 0.00 0.00 173.10 172.04 1xee n PRO 113 N -1.31 0.58 -1.54 2.90 -0.02 -0.91 -4.69 135.00 130.02 1xee n PRO 113 Ca -0.04 0.02 -0.41 0.00 -2.02 0.00 0.00 63.50 61.05 1xee n PRO 113 Cb 0.65 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.64 1xee n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xee n GLY 114 N 0.81 -0.82 0.13 -1.23 0.00 0.14 -4.97 105.19 99.25 1xee n GLY 114 Ca 0.16 0.09 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 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 0.29 0.71 -3.97 1.61 4.76 -1.26 -4.83 118.16 115.47 1xee n LYS 115 Ca 0.11 0.33 -0.09 0.00 -2.87 0.00 0.00 58.31 55.79 1xee n LYS 115 Cb 0.39 -1.71 -0.10 0.00 -1.84 0.00 0.00 35.03 31.78 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 -2.51 0.15 -0.84 -0.18 -1.32 -1.26 -5.05 115.64 104.63 1xee s THR 116 Ca -0.25 -1.22 0.25 0.00 -1.21 0.00 0.00 61.69 59.26 1xee s THR 116 Cb 0.07 -0.93 0.03 0.00 -1.51 0.00 0.00 72.50 70.16 1xee s THR 116 CO 0.72 -0.68 1.39 -3.20 -2.21 0.00 0.00 174.62 170.65 1xee n ASN 117 N 0.75 0.55 -3.69 8.08 4.05 -1.26 -3.71 115.26 120.03 1xee n ASN 117 Ca -0.19 -0.06 -0.16 0.00 0.45 0.00 0.00 54.58 54.63 1xee n ASN 117 Cb 0.58 0.19 0.00 0.00 1.23 0.00 0.00 39.78 41.78 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 -1.76 1.01 -1.73 1.20 0.28 -1.26 -3.98 120.64 114.39 1xee n GLU 118 Ca 0.05 -2.06 -0.42 0.00 -0.16 0.00 0.00 57.16 54.57 1xee n GLU 118 Cb 0.38 0.22 -0.01 0.00 1.43 0.00 0.00 31.44 33.46 1xee n GLU 118 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 1xee n TYR 119 N -1.27 2.60 -1.62 -1.84 9.36 -0.51 -0.36 117.16 123.53 1xee n TYR 119 Ca -0.01 0.45 0.00 0.00 3.32 0.00 0.00 57.90 61.66 1xee n TYR 119 Cb 0.37 -2.49 0.00 0.00 -0.63 0.00 0.00 39.34 36.59 1xee n TYR 119 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1xee n ALA 120 N 0.85 0.37 -1.35 2.98 0.00 -1.26 -4.79 120.51 117.31 1xee n ALA 120 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1xee n ALA 120 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1xee n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48