#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 5.98 -4.74 6.41 7.64 -1.26 -4.92 113.62 122.73 1xee n SER 32 Ca 0.00 -2.48 -0.41 0.00 1.01 0.00 0.00 58.87 56.98 1xee n SER 32 Cb 0.00 -1.43 -0.04 0.00 -1.01 0.00 0.00 64.21 61.74 1xee n SER 32 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1xee s GLY 33 N 2.07 2.73 -0.02 0.23 0.00 -1.26 -5.04 107.32 106.03 1xee s GLY 33 Ca 0.66 0.88 0.01 0.00 0.00 0.00 0.00 44.72 46.28 1xee s GLY 33 CO -0.01 1.79 -0.03 0.48 0.00 0.00 0.00 173.10 175.32 1xee s LEU 34 N -0.17 1.62 -0.48 0.66 2.34 -1.26 -4.97 118.68 116.41 1xee s LEU 34 Ca 0.52 -0.08 -0.18 0.00 0.06 0.00 0.00 54.13 54.45 1xee s LEU 34 Cb -0.31 -0.29 -0.17 0.00 -0.56 0.00 0.00 46.19 44.86 1xee s LEU 34 CO 0.35 -0.01 1.74 -2.65 -1.06 0.00 0.00 176.35 174.72 1xee n PRO 35 N 3.54 1.00 0.00 1.48 -0.02 -1.26 -4.39 135.00 135.35 1xee n PRO 35 Ca -0.20 -1.36 0.00 0.00 -2.02 0.00 0.00 63.50 59.92 1xee n PRO 35 Cb 0.54 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 1xee n PRO 35 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1xee n THR 36 N 5.79 0.00 -4.21 3.45 -1.04 -1.26 -4.94 114.28 112.06 1xee n THR 36 Ca 0.41 0.36 -0.27 0.00 -2.04 0.00 0.00 64.05 62.52 1xee n THR 36 Cb 0.30 -1.16 -0.06 0.00 -1.82 0.00 0.00 70.33 67.58 1xee n THR 36 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1xee s THR 37 N -0.72 1.97 0.22 12.58 -4.23 -1.26 -4.40 115.64 119.79 1xee s THR 37 Ca 0.00 -1.72 -0.08 0.00 -1.18 0.00 0.00 61.69 58.71 1xee s THR 37 Cb 0.00 -2.69 0.19 0.00 1.34 0.00 0.00 72.50 71.34 1xee s THR 37 CO 0.00 0.00 1.88 0.25 -0.54 0.00 0.00 174.62 176.21 1xee h LEU 38 N 1.30 0.90 -1.41 4.79 5.85 -0.57 0.17 115.31 126.34 1xee h LEU 38 Ca -0.42 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.24 1xee h LEU 38 Cb 1.27 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 1xee h LEU 38 CO 0.69 0.64 -0.15 1.23 -0.34 0.00 0.00 178.44 180.50 1xee h GLY 39 N 1.06 0.22 1.25 3.75 0.00 -1.08 0.22 103.07 108.50 1xee h GLY 39 Ca 0.32 -0.14 -0.34 0.00 0.00 0.00 0.00 47.33 47.17 1xee h GLY 39 CO -0.09 0.13 -1.47 0.50 0.00 0.00 0.00 176.54 175.60 1xee h LYS 40 N 0.20 0.55 0.07 4.80 1.79 -1.56 -2.16 116.57 120.26 1xee h LYS 40 Ca 0.04 -0.93 0.00 0.00 -2.18 0.00 0.00 60.65 57.58 1xee h LYS 40 Cb 0.39 0.34 -0.00 0.00 -1.58 0.00 0.00 32.23 31.38 1xee h LYS 40 CO 0.02 1.44 -0.05 1.25 -1.08 0.00 0.00 179.45 181.03 1xee h LEU 41 N 0.15 -0.14 -0.81 2.94 5.85 -0.81 -2.57 115.31 119.92 1xee h LEU 41 Ca -0.26 0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.60 1xee h LEU 41 Cb 2.16 0.05 -0.14 0.00 0.37 0.00 0.00 40.66 43.10 1xee h LEU 41 CO 0.28 -0.09 -0.39 -0.78 -0.34 0.00 0.00 178.44 177.12 1xee h ASP 42 N -0.13 -1.39 -0.70 1.25 3.58 -0.58 -0.14 116.42 118.31 1xee h ASP 42 Ca -0.00 0.28 0.11 0.00 0.42 0.00 0.00 57.03 57.83 1xee h ASP 42 Cb 0.12 0.70 -0.08 0.00 1.72 0.00 0.00 39.33 41.79 1xee h ASP 42 CO -0.01 -0.30 0.31 -0.08 -2.88 0.00 0.00 179.24 176.29 1xee h GLU 43 N -0.08 0.50 -0.64 0.28 4.81 -1.22 0.70 114.58 118.93 1xee h GLU 43 Ca 0.28 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.39 1xee h GLU 43 Cb 0.57 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 1xee h GLU 43 CO -0.85 0.33 0.07 0.00 -0.73 0.00 0.00 179.01 177.84 1xee h ARG 44 N 0.52 1.08 -0.14 1.92 2.47 -0.98 0.10 114.38 119.35 1xee h ARG 44 Ca 0.36 -0.31 -0.04 0.00 -1.26 0.00 0.00 59.98 58.73 1xee h ARG 44 Cb 0.44 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.64 1xee h ARG 44 CO -0.31 1.01 -0.06 -0.07 0.56 0.00 0.00 179.97 181.10 1xee h LEU 45 N 0.99 0.29 -0.33 3.04 3.38 -0.34 0.49 115.31 122.83 1xee h LEU 45 Ca 0.19 -0.41 -0.19 0.00 0.09 0.00 0.00 57.88 57.56 1xee h LEU 45 Cb 0.48 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1xee h LEU 45 CO 0.02 0.64 -0.71 0.03 0.09 0.00 0.00 178.44 178.50 1xee h ARG 46 N -0.05 0.59 -0.52 1.13 3.08 -0.84 -2.68 114.38 115.08 1xee h ARG 46 Ca 0.03 -0.46 0.04 0.00 0.07 0.00 0.00 59.98 59.66 1xee h ARG 46 Cb 0.53 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.62 1xee h ARG 46 CO 0.02 1.08 0.28 -0.91 -1.07 0.00 0.00 179.97 179.37 1xee h ASN 47 N 0.41 0.42 -0.93 7.04 2.35 -0.75 -2.68 115.58 121.44 1xee h ASN 47 Ca -0.03 0.02 0.18 0.00 -0.55 0.00 0.00 56.30 55.93 1xee h ASN 47 Cb 1.30 -0.06 -0.08 0.00 0.05 0.00 0.00 38.32 39.53 1xee h ASN 47 CO 0.13 0.29 0.60 1.88 -1.65 0.00 0.00 177.43 178.68 1xee h TYR 48 N 0.55 0.76 -0.80 1.19 0.05 -0.59 -2.40 116.97 115.73 1xee h TYR 48 Ca 0.23 0.02 0.02 0.00 0.05 0.00 0.00 58.73 59.04 1xee h TYR 48 Cb 0.11 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 37.57 1xee h TYR 48 CO -0.09 0.21 0.53 -0.07 -1.05 0.00 0.00 178.16 177.70 1xee h LEU 49 N 0.58 0.90 -1.13 3.88 3.38 -1.17 0.28 115.31 122.03 1xee h LEU 49 Ca 0.49 -0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.58 1xee h LEU 49 Cb 0.98 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.43 1xee h LEU 49 CO -0.24 0.64 0.60 0.11 0.09 0.00 0.00 178.44 179.65 1xee h LYS 50 N 1.06 0.82 0.00 1.13 6.56 -1.38 -1.09 116.57 123.67 1xee h LYS 50 Ca 0.30 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.84 1xee h LYS 50 Cb -0.08 -0.19 0.00 0.00 -0.57 0.00 0.00 32.23 31.39 1xee h LYS 50 CO -0.07 0.54 -1.07 0.36 -2.06 0.00 0.00 179.45 177.15 1xee n LYS 51 N -4.60 0.24 -0.11 3.15 2.85 -1.01 -4.76 118.16 113.92 1xee n LYS 51 Ca 0.18 -0.02 -0.17 0.00 -1.05 0.00 0.00 58.31 57.26 1xee n LYS 51 Cb 0.42 -1.48 -0.06 0.00 -0.65 0.00 0.00 35.03 33.26 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 1.47 -0.56 3.86 2.58 0.00 0.97 -5.07 105.19 108.43 1xee n GLY 52 Ca 0.03 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.67 1.45 0.00 2.61 -1.32 -0.45 -5.03 115.64 110.22 1xee s THR 53 Ca -0.31 -1.67 0.00 0.00 -1.21 0.00 0.00 61.69 58.50 1xee s THR 53 Cb 0.08 -2.12 0.00 0.00 -1.51 0.00 0.00 72.50 68.95 1xee s THR 53 CO 0.44 0.00 0.00 0.29 -2.21 0.00 0.00 174.62 173.14 1xee n LYS 54 N -1.60 3.86 -1.35 7.08 5.02 -1.26 -4.39 118.16 125.51 1xee n LYS 54 Ca -0.08 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.08 1xee n LYS 54 Cb 0.65 -0.62 0.11 0.00 -0.02 0.00 0.00 35.03 35.15 1xee n LYS 54 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1xee n ASN 55 N -1.00 3.83 -0.44 4.39 0.23 -1.26 -4.82 115.26 116.19 1xee n ASN 55 Ca 0.00 -3.81 0.37 0.00 -0.53 0.00 0.00 54.58 50.61 1xee n ASN 55 Cb 0.00 -0.51 0.61 0.00 -2.08 0.00 0.00 39.78 37.80 1xee n ASN 55 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1xee n SER 56 N -0.92 0.15 0.00 0.53 7.64 -1.26 -1.04 113.62 118.72 1xee n SER 56 Ca 0.37 1.15 0.12 0.00 1.01 0.00 0.00 58.87 61.52 1xee n SER 56 Cb 0.89 -0.57 0.70 0.00 -1.01 0.00 0.00 64.21 64.22 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 -2.58 2.63 0.51 -0.43 0.00 -1.26 -2.74 120.51 116.64 1xee n ALA 57 Ca 0.36 -0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.77 1xee n ALA 57 Cb 1.42 -1.38 0.13 0.00 0.00 0.00 0.00 19.45 19.63 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 -5.75 0.00 4.15 -1.48 -3.45 115.11 108.58 1xee h GLN 58 Ca 0.00 0.00 -0.59 0.00 0.77 0.00 0.00 58.65 58.83 1xee h GLN 58 Cb 0.00 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.61 1xee h GLN 58 CO 0.00 0.00 -0.22 -0.06 -1.93 0.00 0.00 178.83 176.62 1xee s PHE 59 N -3.19 3.57 -0.14 3.99 0.08 -1.11 -0.57 117.98 120.61 1xee s PHE 59 Ca 0.05 0.83 -0.18 0.00 0.12 0.00 0.00 56.93 57.75 1xee s PHE 59 Cb 0.13 -2.40 -0.25 0.00 -0.57 0.00 0.00 43.02 39.94 1xee s PHE 59 CO 0.74 0.35 0.46 1.49 -0.10 0.00 0.00 175.22 178.15 1xee h GLU 60 N 6.05 0.15 -3.13 0.44 4.81 -0.68 -3.41 114.58 118.80 1xee h GLU 60 Ca -0.45 -0.25 -0.13 0.00 -0.13 0.00 0.00 59.36 58.40 1xee h GLU 60 Cb 1.19 0.09 -0.22 0.00 0.63 0.00 0.00 28.75 30.44 1xee h GLU 60 CO 0.71 1.12 -0.35 -1.59 -0.73 0.00 0.00 179.01 178.17 1xee s LYS 61 N -2.42 0.53 -0.08 1.92 -2.85 -1.02 -0.88 119.74 114.93 1xee s LYS 61 Ca -0.23 -0.05 0.05 0.00 -1.00 0.00 0.00 55.97 54.74 1xee s LYS 61 Cb 0.04 0.24 -0.01 0.00 -2.06 0.00 0.00 37.83 36.04 1xee s LYS 61 CO 0.71 -0.13 -0.24 0.00 0.10 0.00 0.00 175.35 175.79 1xee s MET 62 N -0.89 2.86 -0.30 1.78 0.23 0.33 -0.11 119.30 123.21 1xee s MET 62 Ca -0.10 -0.88 -0.03 0.00 -1.03 0.00 0.00 55.69 53.66 1xee s MET 62 Cb -0.05 -2.27 0.04 0.00 -1.53 0.00 0.00 34.83 31.03 1xee s MET 62 CO 0.03 0.27 0.02 0.08 -2.03 0.00 0.00 175.02 173.38 1xee s VAL 63 N 0.12 3.23 -0.19 5.16 1.01 0.14 -1.62 120.40 128.24 1xee s VAL 63 Ca -0.12 -1.19 -0.15 0.00 0.00 0.00 0.00 61.98 60.51 1xee s VAL 63 Cb -0.16 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 1xee s VAL 63 CO 0.07 -0.04 0.37 -0.63 0.00 0.00 0.00 175.10 174.87 1xee s ILE 64 N 1.32 5.22 -0.18 2.22 1.01 0.41 -0.16 121.20 131.05 1xee s ILE 64 Ca -0.03 0.67 -0.02 0.00 0.00 0.00 0.00 60.65 61.27 1xee s ILE 64 Cb -0.19 -3.71 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 1xee s ILE 64 CO -0.01 0.28 -0.08 -0.76 0.00 0.00 0.00 174.94 174.38 1xee s LEU 65 N 1.11 2.84 0.00 2.97 1.43 0.48 -2.21 118.68 125.29 1xee s LEU 65 Ca 0.19 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 1xee s LEU 65 Cb -0.14 -1.68 0.02 0.00 0.03 0.00 0.00 46.19 44.42 1xee s LEU 65 CO 0.07 0.08 0.20 0.35 0.23 0.00 0.00 176.35 177.28 1xee n THR 66 N 4.13 0.00 -0.74 5.49 -2.24 -1.24 -0.33 114.28 119.35 1xee n THR 66 Ca -0.18 -1.19 -0.31 0.00 -2.27 0.00 0.00 64.05 60.10 1xee n THR 66 Cb 0.52 -0.20 0.16 0.00 -2.10 0.00 0.00 70.33 68.71 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 -3.20 1.08 2.09 -0.78 2.02 0.08 -4.45 118.70 115.55 1xee s GLU 67 Ca 0.15 1.58 0.00 0.00 0.02 0.00 0.00 54.97 56.72 1xee s GLU 67 Cb -0.01 -1.73 0.00 0.00 0.10 0.00 0.00 34.13 32.49 1xee s GLU 67 CO 0.10 -2.59 0.00 0.09 0.02 0.00 0.00 175.26 172.87 1xee n ASN 68 N -4.14 -3.16 -3.02 -0.19 3.02 0.31 -3.42 115.26 104.67 1xee n ASN 68 Ca 0.12 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.29 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 1.17 -2.62 0.00 0.00 177.26 175.81 1xee n LYS 69 N -0.53 3.39 -1.87 3.52 4.81 -1.26 -4.62 118.16 121.59 1xee n LYS 69 Ca 0.00 -3.90 -0.42 0.00 -0.87 0.00 0.00 58.31 53.11 1xee n LYS 69 Cb 0.00 -2.31 -0.03 0.00 0.02 0.00 0.00 35.03 32.72 1xee n LYS 69 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1xee s GLY 70 N -1.48 1.22 -0.42 3.14 0.00 -1.26 -5.04 107.32 103.48 1xee s GLY 70 Ca 0.49 0.87 0.03 0.00 0.00 0.00 0.00 44.72 46.11 1xee s GLY 70 CO -0.33 3.30 0.18 -0.47 0.00 0.00 0.00 173.10 175.78 1xee s TYR 71 N 5.31 2.84 -0.17 1.90 5.04 -1.26 -3.69 117.35 127.32 1xee s TYR 71 Ca 0.82 -2.75 -0.02 0.00 -2.44 0.00 0.00 57.07 52.68 1xee s TYR 71 Cb -0.33 -2.47 -0.01 0.00 0.35 0.00 0.00 41.96 39.50 1xee s TYR 71 CO 0.34 -0.82 -0.10 0.71 -1.34 0.00 0.00 175.55 174.34 1xee s TYR 72 N 0.43 2.87 -0.04 4.97 1.51 -0.94 -5.00 117.35 121.16 1xee s TYR 72 Ca 0.15 -0.79 0.06 0.00 -1.01 0.00 0.00 57.07 55.47 1xee s TYR 72 Cb -0.23 -1.95 -0.02 0.00 -0.11 0.00 0.00 41.96 39.66 1xee s TYR 72 CO -0.05 -0.36 -0.22 0.99 -1.11 0.00 0.00 175.55 174.80 1xee s THR 73 N 0.80 2.39 -0.10 -0.71 2.01 -1.26 -0.44 115.64 118.34 1xee s THR 73 Ca -0.04 -0.97 -0.02 0.00 0.31 0.00 0.00 61.69 60.97 1xee s THR 73 Cb -0.15 -1.88 0.04 0.00 0.01 0.00 0.00 72.50 70.52 1xee s THR 73 CO 0.01 0.58 0.03 -0.69 -0.69 0.00 0.00 174.62 173.86 1xee s VAL 74 N -0.50 0.20 -0.57 3.82 1.01 -0.64 -4.96 120.40 118.77 1xee s VAL 74 Ca 0.06 0.06 -0.27 0.00 0.00 0.00 0.00 61.98 61.84 1xee s VAL 74 Cb -0.11 -0.51 0.03 0.00 0.00 0.00 0.00 36.38 35.79 1xee s VAL 74 CO 0.01 0.09 1.11 -0.31 0.00 0.00 0.00 175.10 176.00 1xee s TYR 75 N 2.03 2.67 0.65 5.22 1.51 -1.26 -0.52 117.35 127.66 1xee s TYR 75 Ca 0.04 0.29 0.13 0.00 -1.01 0.00 0.00 57.07 56.51 1xee s TYR 75 Cb -0.13 -4.37 0.58 0.00 -0.11 0.00 0.00 41.96 37.92 1xee s TYR 75 CO -0.06 -1.50 1.29 -0.07 -1.11 0.00 0.00 175.55 174.10 1xee h LEU 76 N 11.60 0.00 0.00 -1.29 3.38 -1.30 -0.90 115.31 126.81 1xee h LEU 76 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1xee h LEU 76 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1xee h LEU 76 CO 1.15 0.00 -0.48 -0.55 0.09 0.00 0.00 178.44 178.66 1xee h ASN 77 N 0.00 0.00 -3.75 -0.43 -1.07 -1.81 -3.45 115.58 105.07 1xee h ASN 77 Ca 0.11 -0.14 -0.68 0.00 0.07 0.00 0.00 56.30 55.65 1xee h ASN 77 Cb 1.87 0.00 -0.19 0.00 -2.07 0.00 0.00 38.32 37.93 1xee h ASN 77 CO -0.00 0.07 -0.76 0.42 0.07 0.00 0.00 177.43 177.23 1xee s THR 78 N -3.16 3.18 -0.09 6.14 -4.23 -0.34 -5.12 115.64 112.02 1xee s THR 78 Ca 0.07 -1.10 -0.30 0.00 -1.18 0.00 0.00 61.69 59.18 1xee s THR 78 Cb 0.13 -2.40 -0.04 0.00 1.34 0.00 0.00 72.50 71.53 1xee s THR 78 CO 0.69 0.29 1.43 -2.84 -0.54 0.00 0.00 174.62 173.66 1xee s PRO 79 N -1.65 4.23 -0.40 3.99 0.02 -1.26 -4.75 135.00 135.18 1xee s PRO 79 Ca 0.17 1.92 -0.35 0.00 0.02 0.00 0.00 61.00 62.76 1xee s PRO 79 Cb -0.11 -3.80 -0.15 0.00 0.02 0.00 0.00 34.50 30.46 1xee s PRO 79 CO 0.08 -0.72 1.69 -0.11 -0.33 0.00 0.00 177.00 177.61 1xee n LEU 80 N 6.51 0.60 -4.71 -5.54 7.94 -1.26 -4.93 117.00 115.61 1xee n LEU 80 Ca 0.15 0.55 -0.33 0.00 -1.11 0.00 0.00 56.01 55.26 1xee n LEU 80 Cb 0.44 -0.71 0.11 0.00 0.53 0.00 0.00 43.42 43.78 1xee n LEU 80 CO 0.59 -0.61 0.76 0.00 -1.11 0.00 0.00 177.39 177.02 1xee s ALA 81 N 4.71 1.98 0.47 1.96 0.00 -1.26 -4.73 121.76 124.90 1xee s ALA 81 Ca 0.95 0.77 0.15 0.00 0.00 0.00 0.00 51.96 53.83 1xee s ALA 81 Cb -1.19 -3.45 1.12 0.00 0.00 0.00 0.00 23.12 19.60 1xee s ALA 81 CO 0.53 -2.07 2.06 1.05 0.00 0.00 0.00 175.76 177.33 1xee h GLU 82 N -0.71 0.24 -0.84 0.00 4.11 -2.00 -0.70 114.58 114.68 1xee h GLU 82 Ca -0.46 -0.01 0.01 0.00 0.07 0.00 0.00 59.36 58.97 1xee h GLU 82 Cb 1.28 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.44 1xee h GLU 82 CO 0.48 0.16 0.55 0.22 0.07 0.00 0.00 179.01 180.50 1xee h ASP 83 N 0.25 0.95 0.33 3.06 3.58 -2.00 -2.39 116.42 120.20 1xee h ASP 83 Ca 0.15 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.58 1xee h ASP 83 Cb 0.29 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.11 1xee h ASP 83 CO -0.03 0.68 -0.91 0.54 -2.88 0.00 0.00 179.24 176.64 1xee n ARG 84 N -4.51 0.15 -0.11 0.28 1.74 -0.47 -3.12 116.66 110.62 1xee n ARG 84 Ca 0.09 -0.01 -0.09 0.00 -0.77 0.00 0.00 57.85 57.07 1xee n ARG 84 Cb 0.03 -1.54 -0.02 0.00 -1.02 0.00 0.00 32.46 29.91 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 0.48 -0.38 5.56 1.57 -0.64 -3.13 116.57 120.03 1xee h LYS 85 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1xee h LYS 85 Cb 0.62 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1xee h LYS 85 CO 0.00 0.45 0.00 0.09 -0.57 0.00 0.00 179.45 179.42 1xee n ASN 86 N -4.74 2.30 -4.63 0.86 4.13 -1.19 -1.16 115.26 110.83 1xee n ASN 86 Ca -0.01 -1.93 -0.47 0.00 1.68 0.00 0.00 54.58 53.85 1xee n ASN 86 Cb 0.11 -0.25 -0.04 0.00 -1.54 0.00 0.00 39.78 38.06 1xee n ASN 86 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1xee n VAL 87 N 0.75 0.52 -1.92 2.41 0.31 -1.18 -4.84 118.33 114.37 1xee n VAL 87 Ca 0.16 -0.21 -0.35 0.00 -0.01 0.00 0.00 64.34 63.93 1xee n VAL 87 Cb 0.38 -2.07 0.04 0.00 -0.91 0.00 0.00 33.84 31.29 1xee n VAL 87 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1xee s GLU 88 N 4.92 2.88 0.49 5.55 2.02 -1.26 -0.04 118.70 133.25 1xee s GLU 88 Ca 0.96 1.70 0.08 0.00 0.02 0.00 0.00 54.97 57.73 1xee s GLU 88 Cb -0.60 -1.93 0.04 0.00 0.10 0.00 0.00 34.13 31.74 1xee s GLU 88 CO 0.46 -1.25 0.67 -0.51 0.02 0.00 0.00 175.26 174.65 1xee s LEU 89 N -4.34 3.44 0.00 1.80 1.43 -1.26 -4.82 118.68 114.94 1xee s LEU 89 Ca 0.74 -0.53 0.05 0.00 -1.03 0.00 0.00 54.13 53.37 1xee s LEU 89 Cb -0.27 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.63 1xee s LEU 89 CO 0.35 -1.00 0.48 0.18 0.23 0.00 0.00 176.35 176.59 1xee n LEU 90 N -2.04 0.95 0.00 1.79 4.77 -1.26 -4.98 117.00 116.23 1xee n LEU 90 Ca 0.11 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 1xee n LEU 90 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1xee n LEU 90 CO 0.40 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1xee n GLY 91 N 0.66 -0.57 3.79 -0.72 0.00 -1.22 -4.30 105.19 102.84 1xee n GLY 91 Ca 0.02 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.07 4.36 0.01 1.61 -0.14 -1.26 -4.53 119.74 118.72 1xee s LYS 92 Ca 0.00 1.31 -0.30 0.00 -1.36 0.00 0.00 55.97 55.62 1xee s LYS 92 Cb 0.00 -2.54 -0.07 0.00 -1.68 0.00 0.00 37.83 33.54 1xee s LYS 92 CO 0.00 0.07 1.74 1.41 -0.76 0.00 0.00 175.35 177.81 1xee s MET 93 N -2.52 4.17 -0.20 1.68 1.75 -1.26 -0.74 119.30 122.18 1xee s MET 93 Ca 0.56 2.36 -0.20 0.00 -1.25 0.00 0.00 55.69 57.16 1xee s MET 93 Cb -0.17 -3.90 -0.17 0.00 2.84 0.00 0.00 34.83 33.43 1xee s MET 93 CO 0.21 -0.84 0.14 0.98 -0.65 0.00 0.00 175.02 174.87 1xee n TYR 94 N 6.73 0.97 -3.66 4.11 9.36 0.55 -0.65 117.16 134.57 1xee n TYR 94 Ca 0.18 0.42 -0.14 0.00 3.32 0.00 0.00 57.90 61.67 1xee n TYR 94 Cb 0.41 -1.06 -0.08 0.00 -0.63 0.00 0.00 39.34 37.99 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 -2.36 0.73 -0.18 2.98 1.02 -0.65 -1.18 119.74 120.10 1xee s LYS 95 Ca -0.28 0.69 0.01 0.00 0.02 0.00 0.00 55.97 56.41 1xee s LYS 95 Cb 0.06 0.35 0.02 0.00 -0.52 0.00 0.00 37.83 37.75 1xee s LYS 95 CO 0.54 -0.12 -0.18 0.99 -0.92 0.00 0.00 175.35 175.66 1xee s THR 96 N 0.03 1.97 -0.26 2.17 2.01 0.92 -0.39 115.64 122.09 1xee s THR 96 Ca -0.02 -0.92 -0.04 0.00 0.31 0.00 0.00 61.69 61.01 1xee s THR 96 Cb -0.04 -1.81 0.01 0.00 0.01 0.00 0.00 72.50 70.67 1xee s THR 96 CO 0.02 0.49 0.00 -0.31 -0.69 0.00 0.00 174.62 174.13 1xee s TYR 97 N 1.32 3.07 -0.27 4.92 2.02 0.77 -0.70 117.35 128.48 1xee s TYR 97 Ca 0.04 -1.15 -0.14 0.00 -0.37 0.00 0.00 57.07 55.46 1xee s TYR 97 Cb -0.13 -2.15 -0.04 0.00 -0.40 0.00 0.00 41.96 39.24 1xee s TYR 97 CO -0.12 -0.61 0.33 -0.06 -1.57 0.00 0.00 175.55 173.51 1xee s PHE 98 N 1.44 3.24 -0.26 2.71 0.40 0.10 0.24 117.98 125.85 1xee s PHE 98 Ca 0.03 0.34 -0.10 0.00 -0.60 0.00 0.00 56.93 56.60 1xee s PHE 98 Cb -0.16 -2.52 -0.04 0.00 0.51 0.00 0.00 43.02 40.80 1xee s PHE 98 CO -0.01 -0.21 0.15 -0.06 0.70 0.00 0.00 175.22 175.79 1xee s PHE 99 N 1.98 3.22 0.68 0.36 0.40 0.85 -0.29 117.98 125.18 1xee s PHE 99 Ca 0.13 0.03 -0.13 0.00 -0.60 0.00 0.00 56.93 56.36 1xee s PHE 99 Cb -0.16 -2.30 0.01 0.00 0.51 0.00 0.00 43.02 41.08 1xee s PHE 99 CO 0.10 -0.12 1.09 0.15 0.70 0.00 0.00 175.22 177.14 1xee s LYS 100 N 1.46 2.74 -0.75 0.44 1.02 -1.26 -0.09 119.74 123.30 1xee s LYS 100 Ca 0.07 1.26 -0.26 0.00 0.02 0.00 0.00 55.97 57.06 1xee s LYS 100 Cb -0.15 -1.95 -0.06 0.00 -0.52 0.00 0.00 37.83 35.15 1xee s LYS 100 CO 0.07 -1.28 2.05 0.21 -0.92 0.00 0.00 175.35 175.48 1xee s LYS 101 N -4.41 2.36 0.00 1.68 2.20 0.27 -0.79 119.74 121.05 1xee s LYS 101 Ca 0.64 0.30 0.00 0.00 -0.36 0.00 0.00 55.97 56.55 1xee s LYS 101 Cb -0.18 -4.76 0.00 0.00 -1.51 0.00 0.00 37.83 31.38 1xee s LYS 101 CO 0.46 -3.35 0.00 0.41 -0.36 0.00 0.00 175.35 172.51 1xee n GLY 102 N 6.40 1.05 3.45 5.54 0.00 -1.26 -4.94 105.19 115.44 1xee n GLY 102 Ca 0.35 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.12 2.40 -0.02 1.61 2.02 0.03 -5.01 118.70 119.61 1xee s GLU 103 Ca 0.00 -0.76 0.18 0.00 0.02 0.00 0.00 54.97 54.41 1xee s GLU 103 Cb 0.00 -2.31 0.55 0.00 0.10 0.00 0.00 34.13 32.47 1xee s GLU 103 CO 0.00 0.61 1.46 -1.13 0.02 0.00 0.00 175.26 176.22 1xee n SER 104 N 2.25 3.76 -4.45 -0.19 3.41 -1.26 -4.26 113.62 112.87 1xee n SER 104 Ca -0.17 -2.09 -0.31 0.00 -0.26 0.00 0.00 58.87 56.04 1xee n SER 104 Cb 0.52 -0.43 -0.13 0.00 -0.26 0.00 0.00 64.21 63.91 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 -1.16 2.18 0.15 4.33 -2.85 -1.26 -5.11 119.74 116.02 1xee s LYS 105 Ca 0.41 -0.91 -0.30 0.00 -1.00 0.00 0.00 55.97 54.18 1xee s LYS 105 Cb 0.23 -2.22 -0.07 0.00 -2.06 0.00 0.00 37.83 33.70 1xee s LYS 105 CO 0.26 0.56 1.17 -1.12 0.10 0.00 0.00 175.35 176.33 1xee s SER 106 N -1.19 7.13 -0.04 0.03 0.01 -1.26 -4.41 113.70 113.96 1xee s SER 106 Ca 0.13 2.14 0.16 0.00 1.31 0.00 0.00 55.95 59.70 1xee s SER 106 Cb -0.10 -2.60 -0.25 0.00 0.21 0.00 0.00 66.02 63.28 1xee s SER 106 CO 0.04 -0.36 0.31 -0.24 0.41 0.00 0.00 173.24 173.40 1xee n SER 107 N 2.84 1.21 -3.70 2.44 2.88 0.60 -4.98 113.62 114.91 1xee n SER 107 Ca 0.05 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.47 1xee n SER 107 Cb 0.45 1.61 -0.12 0.00 -0.75 0.00 0.00 64.21 65.40 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 -3.02 -0.47 -0.02 0.66 5.04 -1.18 -5.00 117.35 113.36 1xee s TYR 108 Ca -0.06 1.04 0.05 0.00 -2.44 0.00 0.00 57.07 55.66 1xee s TYR 108 Cb 0.10 0.12 -0.01 0.00 0.35 0.00 0.00 41.96 42.51 1xee s TYR 108 CO 0.68 -0.31 -0.18 0.54 -1.34 0.00 0.00 175.55 174.93 1xee s VAL 109 N 1.67 1.44 -0.11 3.14 0.11 -1.26 0.01 120.40 125.41 1xee s VAL 109 Ca -0.06 -0.77 0.02 0.00 -2.93 0.00 0.00 61.98 58.23 1xee s VAL 109 Cb -0.10 -1.20 -0.01 0.00 -1.53 0.00 0.00 36.38 33.53 1xee s VAL 109 CO -0.10 0.41 -0.16 -0.63 -3.33 0.00 0.00 175.10 171.28 1xee s ILE 110 N -0.36 2.79 -0.00 7.04 1.01 0.12 -4.94 121.20 126.86 1xee s ILE 110 Ca 0.05 -0.77 -0.16 0.00 0.00 0.00 0.00 60.65 59.78 1xee s ILE 110 Cb -0.08 -2.13 -0.06 0.00 0.01 0.00 0.00 42.46 40.21 1xee s ILE 110 CO -0.00 0.55 0.43 0.21 0.00 0.00 0.00 174.94 176.13 1xee s ASN 111 N 0.13 6.83 0.32 3.58 3.04 -1.26 -0.05 114.94 127.53 1xee s ASN 111 Ca -0.08 0.99 0.01 0.00 0.04 0.00 0.00 52.86 53.81 1xee s ASN 111 Cb -0.15 -2.27 0.01 0.00 -1.54 0.00 0.00 41.25 37.30 1xee s ASN 111 CO 0.05 0.29 0.06 0.61 -3.04 0.00 0.00 177.10 175.07 1xee n GLY 112 N 1.94 3.59 0.15 1.21 0.00 -0.33 -4.98 105.19 106.77 1xee n GLY 112 Ca -0.13 -2.30 0.13 0.00 0.00 0.00 0.00 46.02 43.72 1xee n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xee h PRO 113 N 0.00 0.00 -5.28 1.61 0.13 -1.76 -3.44 132.00 123.26 1xee h PRO 113 Ca -0.25 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 64.15 1xee h PRO 113 Cb 0.79 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.95 1xee h PRO 113 CO 0.41 0.00 0.30 0.41 -0.23 0.00 0.00 178.00 178.90 1xee n GLY 114 N 0.34 -0.06 0.11 1.56 0.00 0.18 -4.92 105.19 102.41 1xee n GLY 114 Ca 0.03 0.77 -0.10 0.00 0.00 0.00 0.00 46.02 46.71 1xee n GLY 114 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1xee h LYS 115 N 3.44 -0.15 -4.26 1.61 3.64 -1.88 -3.44 116.57 115.53 1xee h LYS 115 Ca -0.42 0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 58.84 1xee h LYS 115 Cb 1.23 0.03 -0.15 0.00 -0.41 0.00 0.00 32.23 32.94 1xee h LYS 115 CO 0.70 0.33 -0.65 -0.08 -2.27 0.00 0.00 179.45 177.48 1xee s THR 116 N -3.06 0.19 -2.12 1.00 -1.32 -1.26 -5.03 115.64 104.04 1xee s THR 116 Ca -0.12 -1.80 0.18 0.00 -1.21 0.00 0.00 61.69 58.74 1xee s THR 116 Cb -0.00 -1.63 0.46 0.00 -1.51 0.00 0.00 72.50 69.82 1xee s THR 116 CO 0.47 -0.86 1.42 -3.20 -2.21 0.00 0.00 174.62 170.24 1xee n ASN 117 N 0.05 2.75 -4.52 8.08 4.05 -1.26 -3.57 115.26 120.84 1xee n ASN 117 Ca -0.12 -1.95 -0.28 0.00 0.45 0.00 0.00 54.58 52.67 1xee n ASN 117 Cb 0.62 -0.30 0.13 0.00 1.23 0.00 0.00 39.78 41.46 1xee n ASN 117 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1xee s GLU 118 N -1.40 1.34 -0.63 1.20 0.41 -1.26 -4.42 118.70 113.95 1xee s GLU 118 Ca 0.35 -0.31 -0.26 0.00 -0.41 0.00 0.00 54.97 54.34 1xee s GLU 118 Cb 0.19 -1.97 -0.04 0.00 -1.78 0.00 0.00 34.13 30.53 1xee s GLU 118 CO 0.26 -1.92 2.04 0.71 -0.49 0.00 0.00 175.26 175.86 1xee s TYR 119 N -3.63 1.50 -1.16 1.61 2.02 -1.26 -0.53 117.35 115.90 1xee s TYR 119 Ca 0.68 1.03 -0.21 0.00 -0.37 0.00 0.00 57.07 58.20 1xee s TYR 119 Cb -0.07 -3.92 0.04 0.00 -0.40 0.00 0.00 41.96 37.61 1xee s TYR 119 CO 0.50 -2.26 1.66 0.00 -1.57 0.00 0.00 175.55 173.88 1xee s ALA 120 N 10.28 2.85 0.00 3.71 0.00 -1.26 -4.84 121.76 132.50 1xee s ALA 120 Ca 0.76 -2.51 0.00 0.00 0.00 0.00 0.00 51.96 50.21 1xee s ALA 120 Cb -0.13 -4.60 0.00 0.00 0.00 0.00 0.00 23.12 18.39 1xee s ALA 120 CO 0.19 -3.68 0.34 2.48 0.00 0.00 0.00 175.76 175.09