#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 2.78 -4.77 0.53 2.88 -1.26 -5.08 113.62 108.70 1xee n SER 32 Ca 0.00 -3.24 -0.38 0.00 -1.33 0.00 0.00 58.87 53.92 1xee n SER 32 Cb 0.00 -0.66 -0.06 0.00 -0.75 0.00 0.00 64.21 62.74 1xee n SER 32 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1xee s GLY 33 N -2.14 2.95 -0.45 0.46 0.00 -1.26 -4.58 107.32 102.30 1xee s GLY 33 Ca 0.39 0.58 -0.01 0.00 0.00 0.00 0.00 44.72 45.68 1xee s GLY 33 CO -0.04 1.08 0.42 1.04 0.00 0.00 0.00 173.10 175.60 1xee n LEU 34 N 0.98 -4.42 0.23 0.66 4.77 -1.26 -4.99 117.00 112.97 1xee n LEU 34 Ca 0.00 -0.15 -0.12 0.00 -0.03 0.00 0.00 56.01 55.71 1xee n LEU 34 Cb 0.49 -2.17 -0.07 0.00 -2.33 0.00 0.00 43.42 39.34 1xee n LEU 34 CO 0.47 -0.41 0.39 -0.65 -1.33 0.00 0.00 177.39 175.86 1xee h PRO 35 N -0.01 -0.61 -4.69 3.23 0.11 -2.01 -3.33 132.00 124.69 1xee h PRO 35 Ca -0.10 0.04 -0.72 0.00 0.11 0.00 0.00 66.00 65.33 1xee h PRO 35 Cb 1.05 0.14 -0.12 0.00 0.11 0.00 0.00 31.00 32.18 1xee h PRO 35 CO 0.19 -0.32 2.03 0.25 -0.21 0.00 0.00 178.00 179.94 1xee n THR 36 N -5.22 4.06 -3.94 -1.15 -2.24 -1.26 -4.92 114.28 99.62 1xee n THR 36 Ca -0.10 -4.21 -0.30 0.00 -2.27 0.00 0.00 64.05 57.17 1xee n THR 36 Cb 0.29 -2.43 -0.04 0.00 -2.10 0.00 0.00 70.33 66.05 1xee n THR 36 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1xee s THR 37 N 2.34 5.30 0.24 4.28 -4.23 -1.25 -0.45 115.64 121.86 1xee s THR 37 Ca 0.46 -0.46 -0.06 0.00 -1.18 0.00 0.00 61.69 60.45 1xee s THR 37 Cb 0.04 -3.60 0.18 0.00 1.34 0.00 0.00 72.50 70.47 1xee s THR 37 CO 0.01 0.11 1.83 0.25 -0.54 0.00 0.00 174.62 176.28 1xee h LEU 38 N 2.99 1.04 -1.48 4.79 5.85 -0.07 0.70 115.31 129.13 1xee h LEU 38 Ca -0.46 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.08 1xee h LEU 38 Cb 1.16 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1xee h LEU 38 CO 0.74 0.89 -0.27 1.23 -0.34 0.00 0.00 178.44 180.70 1xee h GLY 39 N 1.15 0.00 1.46 3.75 0.00 -1.40 0.34 103.07 108.37 1xee h GLY 39 Ca 0.27 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.30 1xee h GLY 39 CO -0.03 0.00 -1.34 0.50 0.00 0.00 0.00 176.54 175.67 1xee h LYS 40 N 0.00 0.41 0.59 4.80 1.79 -1.52 -2.25 116.57 120.39 1xee h LYS 40 Ca -0.00 -0.68 -0.02 0.00 -2.18 0.00 0.00 60.65 57.76 1xee h LYS 40 Cb 0.48 0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 31.37 1xee h LYS 40 CO 0.03 1.32 -0.49 1.25 -1.08 0.00 0.00 179.45 180.49 1xee h LEU 41 N 0.12 -1.30 -0.54 2.94 5.85 -0.81 -2.13 115.31 119.44 1xee h LEU 41 Ca -0.19 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.67 1xee h LEU 41 Cb 2.05 0.41 -0.07 0.00 0.37 0.00 0.00 40.66 43.43 1xee h LEU 41 CO 0.24 -0.68 -0.32 -0.67 -0.34 0.00 0.00 178.44 176.66 1xee n ASP 42 N -5.58 -0.58 -0.23 1.25 2.03 0.12 0.51 116.55 114.08 1xee n ASP 42 Ca -0.13 1.33 0.03 0.00 0.52 0.00 0.00 54.79 56.54 1xee n ASP 42 Cb 0.47 -0.30 0.13 0.00 -0.72 0.00 0.00 41.12 40.70 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 0.12 -0.48 -0.67 4.81 -1.40 0.12 114.58 117.09 1xee h GLU 43 Ca 0.09 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.19 1xee h GLU 43 Cb 0.22 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1xee h GLU 43 CO -0.51 0.08 -0.18 0.00 -0.73 0.00 0.00 179.01 177.67 1xee h ARG 44 N 0.13 0.95 -0.15 1.92 3.08 -0.55 -2.12 114.38 117.64 1xee h ARG 44 Ca 0.37 -0.38 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1xee h ARG 44 Cb 0.63 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 1xee h ARG 44 CO -0.59 1.05 -0.08 -0.07 -1.07 0.00 0.00 179.97 179.21 1xee h LEU 45 N 0.83 0.32 -0.03 3.04 3.38 0.12 0.15 115.31 123.12 1xee h LEU 45 Ca 0.12 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1xee h LEU 45 Cb 0.74 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1xee h LEU 45 CO 0.06 0.67 0.02 0.03 0.09 0.00 0.00 178.44 179.31 1xee h ARG 46 N -0.03 0.05 -0.85 1.13 3.08 -0.76 -2.00 114.38 115.00 1xee h ARG 46 Ca 0.03 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1xee h ARG 46 Cb 0.55 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.56 1xee h ARG 46 CO 0.02 0.07 0.42 -0.91 -1.07 0.00 0.00 179.97 178.51 1xee h ASN 47 N 0.01 1.10 -0.67 7.04 4.21 -1.26 -2.77 115.58 123.23 1xee h ASN 47 Ca 0.01 -0.12 0.06 0.00 1.21 0.00 0.00 56.30 57.46 1xee h ASN 47 Cb 0.04 -0.28 -0.04 0.00 -1.12 0.00 0.00 38.32 36.92 1xee h ASN 47 CO -0.00 0.91 0.44 0.22 -1.29 0.00 0.00 177.43 177.71 1xee h TYR 48 N 1.21 0.71 -0.27 1.19 3.20 -0.42 -2.12 116.97 120.46 1xee h TYR 48 Ca 0.29 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.24 1xee h TYR 48 Cb 0.09 -0.23 -0.06 0.00 1.54 0.00 0.00 36.73 38.07 1xee h TYR 48 CO 0.01 0.38 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.75 1xee h LEU 49 N 0.71 -0.35 -0.86 2.82 3.38 -1.07 -1.93 115.31 118.02 1xee h LEU 49 Ca 0.28 0.09 -0.11 0.00 0.09 0.00 0.00 57.88 58.24 1xee h LEU 49 Cb 0.22 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1xee h LEU 49 CO -0.09 -0.13 -0.30 0.11 0.09 0.00 0.00 178.44 178.12 1xee h LYS 50 N -0.05 0.49 -0.09 1.13 6.56 -1.44 0.30 116.57 123.47 1xee h LYS 50 Ca 0.14 -0.21 0.03 0.00 -1.06 0.00 0.00 60.65 59.54 1xee h LYS 50 Cb 0.26 -0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 31.89 1xee h LYS 50 CO -0.30 0.74 0.07 -0.22 -2.06 0.00 0.00 179.45 177.68 1xee h LYS 51 N 0.43 0.00 0.00 3.15 3.64 -1.09 -3.35 116.57 119.35 1xee h LYS 51 Ca 0.05 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.18 1xee h LYS 51 Cb 0.74 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.52 1xee h LYS 51 CO 0.06 0.00 -1.91 0.41 -2.27 0.00 0.00 179.45 175.74 1xee n GLY 52 N -1.47 -0.24 3.02 5.01 0.00 -0.74 -5.07 105.19 105.69 1xee n GLY 52 Ca -0.01 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.31 0.11 -0.74 2.61 -1.32 0.99 -5.05 115.64 109.92 1xee s THR 53 Ca -0.22 -0.91 0.07 0.00 -1.21 0.00 0.00 61.69 59.42 1xee s THR 53 Cb 0.07 -0.37 0.40 0.00 -1.51 0.00 0.00 72.50 71.08 1xee s THR 53 CO 0.33 -0.50 1.12 0.29 -2.21 0.00 0.00 174.62 173.65 1xee n LYS 54 N 1.47 2.83 -0.94 7.08 5.02 -1.26 -3.52 118.16 128.84 1xee n LYS 54 Ca -0.23 -1.52 -0.00 0.00 -2.02 0.00 0.00 58.31 54.53 1xee n LYS 54 Cb 0.55 -1.83 0.34 0.00 -0.02 0.00 0.00 35.03 34.07 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 0.33 5.06 -0.27 4.39 3.02 -1.26 -4.64 115.26 121.88 1xee n ASN 55 Ca 0.13 -3.12 0.21 0.00 -0.03 0.00 0.00 54.58 51.77 1xee n ASN 55 Cb 0.68 -0.71 0.39 0.00 -0.61 0.00 0.00 39.78 39.53 1xee n ASN 55 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1xee n SER 56 N 0.07 0.14 0.08 6.41 2.88 -1.26 -0.11 113.62 121.83 1xee n SER 56 Ca 0.35 1.38 0.11 0.00 -1.33 0.00 0.00 58.87 59.37 1xee n SER 56 Cb 1.28 -0.60 0.44 0.00 -0.75 0.00 0.00 64.21 64.57 1xee n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xee n ALA 57 N -2.73 1.76 0.48 -1.46 0.00 -1.26 -2.72 120.51 114.57 1xee n ALA 57 Ca 0.27 0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.82 1xee n ALA 57 Cb 0.89 -1.35 0.24 0.00 0.00 0.00 0.00 19.45 19.23 1xee n ALA 57 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1xee n GLN 58 N -1.98 2.15 -4.24 0.00 -0.06 0.84 -4.79 117.38 109.30 1xee n GLN 58 Ca 0.03 -1.78 -0.34 0.00 -2.00 0.00 0.00 57.00 52.91 1xee n GLN 58 Cb 0.24 -1.40 -0.14 0.00 -4.06 0.00 0.00 30.24 24.87 1xee n GLN 58 CO 0.00 0.00 0.00 -0.06 -0.20 0.00 0.00 177.06 176.80 1xee s PHE 59 N -1.39 2.90 -0.14 3.69 0.08 -1.10 0.03 117.98 122.05 1xee s PHE 59 Ca 0.34 -0.84 0.11 0.00 0.12 0.00 0.00 56.93 56.66 1xee s PHE 59 Cb 0.18 -2.00 -0.23 0.00 -0.57 0.00 0.00 43.02 40.40 1xee s PHE 59 CO 0.24 -0.42 0.29 -0.85 -0.10 0.00 0.00 175.22 174.39 1xee n GLU 60 N 4.27 0.67 -3.83 0.44 0.28 -0.75 -4.58 120.64 117.14 1xee n GLU 60 Ca -0.18 0.16 -0.09 0.00 -0.16 0.00 0.00 57.16 56.88 1xee n GLU 60 Cb 0.51 -1.65 -0.07 0.00 1.43 0.00 0.00 31.44 31.67 1xee n GLU 60 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 1xee s LYS 61 N -2.54 0.90 -0.01 3.44 -2.85 -1.09 -0.75 119.74 116.84 1xee s LYS 61 Ca -0.12 -0.94 -0.04 0.00 -1.00 0.00 0.00 55.97 53.87 1xee s LYS 61 Cb 0.07 0.36 0.00 0.00 -2.06 0.00 0.00 37.83 36.21 1xee s LYS 61 CO 0.79 -0.30 0.09 0.00 0.10 0.00 0.00 175.35 176.03 1xee s MET 62 N -3.86 0.30 -0.16 1.78 0.23 0.46 0.13 119.30 118.18 1xee s MET 62 Ca 0.05 -0.22 0.01 0.00 -1.03 0.00 0.00 55.69 54.50 1xee s MET 62 Cb 0.04 0.12 0.02 0.00 -1.53 0.00 0.00 34.83 33.49 1xee s MET 62 CO -0.10 -0.06 -0.17 0.08 -2.03 0.00 0.00 175.02 172.74 1xee s VAL 63 N -0.81 1.79 -0.30 5.16 1.01 0.27 -0.21 120.40 127.31 1xee s VAL 63 Ca -0.09 -0.77 -0.13 0.00 0.00 0.00 0.00 61.98 60.99 1xee s VAL 63 Cb -0.05 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 1xee s VAL 63 CO 0.00 0.50 0.27 -0.63 0.00 0.00 0.00 175.10 175.24 1xee s ILE 64 N 1.37 5.25 -0.23 2.22 1.09 0.12 -0.72 121.20 130.30 1xee s ILE 64 Ca 0.04 0.14 -0.05 0.00 -1.10 0.00 0.00 60.65 59.68 1xee s ILE 64 Cb -0.13 -3.66 -0.02 0.00 -1.06 0.00 0.00 42.46 37.59 1xee s ILE 64 CO -0.11 0.10 -0.01 -0.76 -0.10 0.00 0.00 174.94 174.07 1xee s LEU 65 N 1.86 3.09 0.53 2.97 1.43 -0.18 -1.18 118.68 127.20 1xee s LEU 65 Ca 0.09 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 1xee s LEU 65 Cb -0.16 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.26 1xee s LEU 65 CO 0.11 -0.01 0.08 0.42 0.23 0.00 0.00 176.35 177.18 1xee s THR 66 N 1.46 1.15 0.00 5.49 -4.23 -0.61 -1.12 115.64 117.79 1xee s THR 66 Ca 0.05 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 1xee s THR 66 Cb -0.15 -2.05 0.00 0.00 1.34 0.00 0.00 72.50 71.64 1xee s THR 66 CO -0.01 0.00 0.00 -0.62 -0.54 0.00 0.00 174.62 173.45 1xee n GLU 67 N -1.40 -0.29 0.00 3.99 1.02 -0.93 -4.27 120.64 118.76 1xee n GLU 67 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 1xee n GLU 67 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.08 1xee n GLU 67 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1xee n ASN 68 N -1.69 0.00 -0.93 1.62 0.23 0.08 -1.41 115.26 113.16 1xee n ASN 68 Ca 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 54.58 54.04 1xee n ASN 68 Cb 0.00 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.68 1xee n ASN 68 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1xee n LYS 69 N 0.00 0.00 -2.38 -3.83 3.00 -1.26 -4.00 118.16 109.69 1xee n LYS 69 Ca 0.00 -1.04 -0.42 0.00 -0.00 0.00 0.00 58.31 56.85 1xee n LYS 69 Cb 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 35.03 35.08 1xee n LYS 69 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1xee s GLY 70 N -1.04 0.89 -0.28 3.14 0.00 -0.50 -5.00 107.32 104.53 1xee s GLY 70 Ca 0.09 -0.62 0.02 0.00 0.00 0.00 0.00 44.72 44.21 1xee s GLY 70 CO -0.05 2.82 -0.00 -0.47 0.00 0.00 0.00 173.10 175.40 1xee s TYR 71 N 6.08 2.81 -0.12 1.90 5.04 -1.26 -1.57 117.35 130.23 1xee s TYR 71 Ca 0.54 -2.20 0.02 0.00 -2.44 0.00 0.00 57.07 52.98 1xee s TYR 71 Cb -0.11 -2.05 0.01 0.00 0.35 0.00 0.00 41.96 40.16 1xee s TYR 71 CO 0.26 -0.86 -0.16 0.71 -1.34 0.00 0.00 175.55 174.15 1xee s TYR 72 N 1.25 2.12 -0.18 4.97 2.02 -0.32 -5.00 117.35 122.19 1xee s TYR 72 Ca 0.01 -1.03 -0.02 0.00 -0.37 0.00 0.00 57.07 55.66 1xee s TYR 72 Cb -0.19 -1.51 -0.01 0.00 -0.40 0.00 0.00 41.96 39.85 1xee s TYR 72 CO -0.10 -0.52 -0.08 0.99 -1.57 0.00 0.00 175.55 174.27 1xee s THR 73 N 1.01 3.21 -0.04 -0.71 2.01 -1.26 0.10 115.64 119.96 1xee s THR 73 Ca -0.05 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.38 1xee s THR 73 Cb -0.15 -2.41 0.03 0.00 0.01 0.00 0.00 72.50 69.97 1xee s THR 73 CO -0.03 0.47 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.68 1xee s VAL 74 N 1.02 0.29 -0.44 3.82 1.01 0.71 -5.01 120.40 121.80 1xee s VAL 74 Ca -0.00 0.06 -0.17 0.00 0.00 0.00 0.00 61.98 61.87 1xee s VAL 74 Cb -0.15 -0.39 0.03 0.00 0.00 0.00 0.00 36.38 35.87 1xee s VAL 74 CO -0.01 0.19 0.45 -0.31 0.00 0.00 0.00 175.10 175.43 1xee s TYR 75 N 1.26 3.16 0.66 5.22 1.51 -1.26 -0.40 117.35 127.50 1xee s TYR 75 Ca -0.06 -0.44 0.16 0.00 -1.01 0.00 0.00 57.07 55.71 1xee s TYR 75 Cb -0.13 -2.99 0.82 0.00 -0.11 0.00 0.00 41.96 39.55 1xee s TYR 75 CO -0.02 -0.75 1.45 -0.07 -1.11 0.00 0.00 175.55 175.06 1xee h LEU 76 N 9.10 0.00 -0.76 -1.29 3.38 -1.23 -1.60 115.31 122.91 1xee h LEU 76 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1xee h LEU 76 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1xee h LEU 76 CO 0.82 0.00 -0.37 -0.46 0.09 0.00 0.00 178.44 178.52 1xee n ASN 77 N -2.77 1.55 -4.35 -0.43 6.94 -1.11 -4.76 115.26 110.33 1xee n ASN 77 Ca 0.01 -1.22 -0.31 0.00 -0.02 0.00 0.00 54.58 53.04 1xee n ASN 77 Cb 0.75 0.31 -0.15 0.00 -2.36 0.00 0.00 39.78 38.33 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 -2.49 2.23 -0.17 5.53 -4.23 -0.60 -5.11 115.64 110.80 1xee s THR 78 Ca 0.21 -1.15 -0.29 0.00 -1.18 0.00 0.00 61.69 59.28 1xee s THR 78 Cb 0.19 -1.82 -0.02 0.00 1.34 0.00 0.00 72.50 72.19 1xee s THR 78 CO 0.55 0.50 1.38 -2.16 -0.54 0.00 0.00 174.62 174.35 1xee s PRO 79 N -0.86 4.14 -0.37 3.99 0.04 -1.26 -4.76 135.00 135.92 1xee s PRO 79 Ca 0.11 1.70 -0.41 0.00 0.04 0.00 0.00 61.00 62.44 1xee s PRO 79 Cb -0.10 -3.85 -0.16 0.00 0.04 0.00 0.00 34.50 30.43 1xee s PRO 79 CO 0.00 -0.85 1.84 -0.11 0.04 0.00 0.00 177.00 177.93 1xee n LEU 80 N 7.03 1.86 -4.73 -3.56 7.94 -1.26 -4.92 117.00 119.35 1xee n LEU 80 Ca 0.15 0.94 -0.32 0.00 -1.11 0.00 0.00 56.01 55.67 1xee n LEU 80 Cb 0.45 -1.07 0.11 0.00 0.53 0.00 0.00 43.42 43.44 1xee n LEU 80 CO 0.59 -0.61 0.73 0.00 -1.11 0.00 0.00 177.39 176.99 1xee s ALA 81 N 4.38 2.02 0.32 1.96 0.00 -1.26 -4.78 121.76 124.40 1xee s ALA 81 Ca 1.05 0.60 0.14 0.00 0.00 0.00 0.00 51.96 53.74 1xee s ALA 81 Cb -1.20 -3.39 0.68 0.00 0.00 0.00 0.00 23.12 19.21 1xee s ALA 81 CO 0.67 -2.01 1.78 1.05 0.00 0.00 0.00 175.76 177.24 1xee h GLU 82 N -0.91 0.00 -0.74 0.00 4.11 -1.98 0.19 114.58 115.25 1xee h GLU 82 Ca -0.45 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 58.93 1xee h GLU 82 Cb 1.26 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 1xee h GLU 82 CO 0.48 0.41 0.28 0.22 0.07 0.00 0.00 179.01 180.48 1xee h ASP 83 N 0.00 1.02 0.68 3.06 3.58 -2.00 -2.15 116.42 120.61 1xee h ASP 83 Ca -0.00 -0.16 -0.22 0.00 0.42 0.00 0.00 57.03 57.06 1xee h ASP 83 Cb 0.77 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 41.52 1xee h ASP 83 CO 0.05 0.92 -1.46 0.03 -2.88 0.00 0.00 179.24 175.90 1xee h ARG 84 N 1.08 0.00 -0.56 0.28 3.08 -1.53 -3.36 114.38 113.37 1xee h ARG 84 Ca 0.25 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.40 1xee h ARG 84 Cb 0.23 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.19 1xee h ARG 84 CO -0.02 0.44 0.09 0.87 -1.07 0.00 0.00 179.97 180.28 1xee h LYS 85 N 0.00 0.21 -0.01 0.04 1.57 -0.40 -1.77 116.57 116.21 1xee h LYS 85 Ca -0.20 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1xee h LYS 85 Cb 1.78 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.04 1xee h LYS 85 CO 0.07 0.14 0.00 0.27 -0.57 0.00 0.00 179.45 179.36 1xee n ASN 86 N -5.15 0.05 -4.62 0.86 0.23 -0.92 -1.72 115.26 103.98 1xee n ASN 86 Ca 0.08 -1.56 -0.43 0.00 -0.53 0.00 0.00 54.58 52.14 1xee n ASN 86 Cb 0.30 -0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.97 1xee n ASN 86 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1xee s VAL 87 N -1.99 4.00 0.37 3.53 1.01 -0.67 -4.83 120.40 121.82 1xee s VAL 87 Ca 0.22 1.11 -0.27 0.00 0.00 0.00 0.00 61.98 63.05 1xee s VAL 87 Cb 0.10 -4.07 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 1xee s VAL 87 CO 0.17 -0.49 1.20 -1.61 0.00 0.00 0.00 175.10 174.37 1xee s GLU 88 N 4.42 4.20 -0.64 2.72 8.01 -1.26 0.43 118.70 136.58 1xee s GLU 88 Ca 0.60 1.93 -0.19 0.00 0.01 0.00 0.00 54.97 57.33 1xee s GLU 88 Cb -0.18 -2.84 0.11 0.00 -4.31 0.00 0.00 34.13 26.91 1xee s GLU 88 CO 0.26 -0.22 0.75 -0.51 0.01 0.00 0.00 175.26 175.55 1xee s LEU 89 N -2.18 5.43 0.60 1.80 1.43 0.40 -4.84 118.68 121.31 1xee s LEU 89 Ca 0.53 -1.56 0.04 0.00 -1.03 0.00 0.00 54.13 52.11 1xee s LEU 89 Cb -0.33 -2.31 0.12 0.00 0.03 0.00 0.00 46.19 43.70 1xee s LEU 89 CO 0.43 -1.09 0.95 0.18 0.23 0.00 0.00 176.35 177.05 1xee n LEU 90 N 6.23 0.00 0.00 1.79 7.99 -1.26 -4.84 117.00 126.91 1xee n LEU 90 Ca -0.05 0.49 -0.04 0.00 -0.01 0.00 0.00 56.01 56.41 1xee n LEU 90 Cb 0.43 -0.04 0.02 0.00 -0.11 0.00 0.00 43.42 43.73 1xee n LEU 90 CO 0.56 -0.49 0.59 0.61 -1.51 0.00 0.00 177.39 177.15 1xee n GLY 91 N -1.45 0.86 3.74 -0.72 0.00 -1.26 -4.91 105.19 101.46 1xee n GLY 91 Ca 0.03 -1.13 -0.40 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.05 4.79 -0.19 1.61 1.02 -1.26 -4.72 119.74 118.95 1xee s LYS 92 Ca 0.17 1.48 -0.31 0.00 0.02 0.00 0.00 55.97 57.33 1xee s LYS 92 Cb -0.03 -3.32 -0.08 0.00 -0.52 0.00 0.00 37.83 33.89 1xee s LYS 92 CO 0.06 0.40 2.14 -0.12 -0.92 0.00 0.00 175.35 176.90 1xee n MET 93 N 1.99 1.97 0.04 1.68 0.00 -1.26 -2.19 117.12 119.35 1xee n MET 93 Ca -0.00 0.60 -0.03 0.00 -0.00 0.00 0.00 57.70 58.27 1xee n MET 93 Cb 0.48 -2.98 -0.01 0.00 0.00 0.00 0.00 33.22 30.70 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 13.13 -0.18 -1.95 1.12 3.20 -1.58 -0.78 116.97 129.94 1xee h TYR 94 Ca -0.41 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.48 1xee h TYR 94 Cb 1.26 0.06 -0.23 0.00 1.54 0.00 0.00 36.73 39.36 1xee h TYR 94 CO 0.94 -0.11 -0.24 0.15 -1.64 0.00 0.00 178.16 177.26 1xee s LYS 95 N -2.13 0.50 -0.24 1.82 1.02 -0.27 -3.47 119.74 116.96 1xee s LYS 95 Ca -0.03 1.21 -0.17 0.00 0.02 0.00 0.00 55.97 57.00 1xee s LYS 95 Cb 0.00 0.59 -0.03 0.00 -0.52 0.00 0.00 37.83 37.87 1xee s LYS 95 CO 0.08 -0.32 0.47 0.99 -0.92 0.00 0.00 175.35 175.66 1xee s THR 96 N 2.79 5.12 -0.23 2.17 2.01 -0.49 -1.01 115.64 126.00 1xee s THR 96 Ca 0.01 0.81 -0.04 0.00 0.31 0.00 0.00 61.69 62.77 1xee s THR 96 Cb -0.13 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.59 1xee s THR 96 CO -0.18 0.14 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.57 1xee s TYR 97 N 1.99 3.00 -0.18 4.92 2.02 0.10 0.03 117.35 129.22 1xee s TYR 97 Ca 0.20 -0.90 -0.06 0.00 -0.37 0.00 0.00 57.07 55.94 1xee s TYR 97 Cb -0.15 -2.13 -0.03 0.00 -0.40 0.00 0.00 41.96 39.24 1xee s TYR 97 CO 0.09 -0.53 0.02 -0.06 -1.57 0.00 0.00 175.55 173.50 1xee s PHE 98 N 1.49 3.13 -0.20 2.71 0.40 0.58 -0.57 117.98 125.53 1xee s PHE 98 Ca 0.05 -0.15 -0.05 0.00 -0.60 0.00 0.00 56.93 56.18 1xee s PHE 98 Cb -0.15 -2.04 -0.03 0.00 0.51 0.00 0.00 43.02 41.31 1xee s PHE 98 CO -0.02 0.01 -0.00 -0.06 0.70 0.00 0.00 175.22 175.85 1xee s PHE 99 N 0.51 3.05 0.76 0.36 0.08 0.12 -0.55 117.98 122.31 1xee s PHE 99 Ca 0.00 -0.42 -0.11 0.00 0.12 0.00 0.00 56.93 56.52 1xee s PHE 99 Cb -0.13 -2.07 0.05 0.00 -0.57 0.00 0.00 43.02 40.30 1xee s PHE 99 CO 0.02 -0.20 1.10 0.15 -0.10 0.00 0.00 175.22 176.18 1xee s LYS 100 N 0.92 2.25 -0.69 0.44 1.02 -1.09 -1.80 119.74 120.78 1xee s LYS 100 Ca 0.01 1.25 -0.26 0.00 0.02 0.00 0.00 55.97 56.98 1xee s LYS 100 Cb -0.14 -1.89 0.00 0.00 -0.52 0.00 0.00 37.83 35.28 1xee s LYS 100 CO 0.02 -1.66 1.62 0.21 -0.92 0.00 0.00 175.35 174.61 1xee s LYS 101 N -4.73 2.89 0.00 1.68 2.20 0.10 -1.29 119.74 120.59 1xee s LYS 101 Ca 0.63 0.16 0.00 0.00 -0.36 0.00 0.00 55.97 56.39 1xee s LYS 101 Cb -0.18 -4.38 0.00 0.00 -1.51 0.00 0.00 37.83 31.76 1xee s LYS 101 CO 0.54 -2.51 0.00 0.41 -0.36 0.00 0.00 175.35 173.42 1xee n GLY 102 N 5.67 1.17 2.87 5.54 0.00 -1.26 -4.99 105.19 114.19 1xee n GLY 102 Ca 0.15 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.37 0.34 0.00 1.61 -1.05 -0.42 -5.03 118.70 113.78 1xee s GLU 103 Ca 0.00 -0.02 0.00 0.00 -0.15 0.00 0.00 54.97 54.80 1xee s GLU 103 Cb 0.00 -0.43 0.00 0.00 -0.44 0.00 0.00 34.13 33.26 1xee s GLU 103 CO 0.00 -0.05 0.99 0.43 0.95 0.00 0.00 175.26 177.59 1xee n SER 104 N 3.69 2.93 -4.70 0.83 7.64 -1.26 -2.66 113.62 120.09 1xee n SER 104 Ca -0.21 -1.87 -0.39 0.00 1.01 0.00 0.00 58.87 57.40 1xee n SER 104 Cb 0.54 -0.51 -0.05 0.00 -1.01 0.00 0.00 64.21 63.17 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 0.09 4.35 -0.50 1.43 1.02 -1.26 -4.97 119.74 119.90 1xee s LYS 105 Ca 0.00 0.70 -0.28 0.00 0.02 0.00 0.00 55.97 56.41 1xee s LYS 105 Cb 0.00 -3.48 0.01 0.00 -0.52 0.00 0.00 37.83 33.84 1xee s LYS 105 CO 0.00 0.00 1.40 -1.54 -0.92 0.00 0.00 175.35 174.29 1xee s SER 106 N 0.86 6.23 -0.00 2.83 1.04 -1.25 -2.67 113.70 120.74 1xee s SER 106 Ca 0.32 0.49 0.10 0.00 0.48 0.00 0.00 55.95 57.35 1xee s SER 106 Cb -0.16 -2.54 -0.12 0.00 0.10 0.00 0.00 66.02 63.29 1xee s SER 106 CO 0.14 -1.58 0.38 -0.24 0.98 0.00 0.00 173.24 172.92 1xee n SER 107 N 9.20 0.97 -3.73 7.02 2.88 0.28 -4.87 113.62 125.37 1xee n SER 107 Ca 0.14 -0.57 -0.12 0.00 -1.33 0.00 0.00 58.87 56.99 1xee n SER 107 Cb 0.49 1.11 -0.13 0.00 -0.75 0.00 0.00 64.21 64.93 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 -2.12 -0.33 -0.02 0.66 6.14 -1.19 -5.04 117.35 115.45 1xee s TYR 108 Ca 0.02 0.78 0.05 0.00 0.64 0.00 0.00 57.07 58.57 1xee s TYR 108 Cb 0.07 0.05 -0.01 0.00 0.42 0.00 0.00 41.96 42.49 1xee s TYR 108 CO 0.41 -0.23 -0.18 0.54 0.64 0.00 0.00 175.55 176.74 1xee s VAL 109 N 1.19 1.39 -0.30 3.14 0.11 -1.25 -0.31 120.40 124.38 1xee s VAL 109 Ca -0.09 -0.75 -0.11 0.00 -2.93 0.00 0.00 61.98 58.11 1xee s VAL 109 Cb -0.10 -1.16 -0.03 0.00 -1.53 0.00 0.00 36.38 33.56 1xee s VAL 109 CO -0.08 0.39 0.18 -0.63 -3.33 0.00 0.00 175.10 171.64 1xee s ILE 110 N -0.38 5.08 -0.34 7.04 1.01 0.10 -4.92 121.20 128.80 1xee s ILE 110 Ca 0.06 -0.06 -0.22 0.00 0.00 0.00 0.00 60.65 60.43 1xee s ILE 110 Cb -0.07 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.91 1xee s ILE 110 CO -0.00 0.16 0.73 0.21 0.00 0.00 0.00 174.94 176.04 1xee s ASN 111 N 1.71 6.55 0.00 3.58 2.47 -1.26 -1.40 114.94 126.59 1xee s ASN 111 Ca 0.06 0.41 0.00 0.00 0.42 0.00 0.00 52.86 53.76 1xee s ASN 111 Cb -0.16 -2.37 0.00 0.00 -1.45 0.00 0.00 41.25 37.26 1xee s ASN 111 CO 0.09 -0.63 0.00 0.61 -3.72 0.00 0.00 177.10 173.45 1xee n GLY 112 N 4.45 6.24 0.28 1.21 0.00 -1.23 -5.05 105.19 111.09 1xee n GLY 112 Ca 0.02 -2.11 0.11 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.01 1.37 -2.12 1.61 -0.04 -1.15 -4.88 135.00 129.78 1xee n PRO 113 Ca 0.00 -0.55 -0.41 0.00 -0.04 0.00 0.00 63.50 62.49 1xee n PRO 113 Cb 0.00 -1.36 -0.03 0.00 -0.04 0.00 0.00 33.50 32.07 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 -1.63 2.30 -0.20 0.55 0.00 -0.31 -4.92 107.32 103.11 1xee s GLY 114 Ca 0.32 1.20 -0.04 0.00 0.00 0.00 0.00 44.72 46.20 1xee s GLY 114 CO 0.25 2.21 0.02 1.17 0.00 0.00 0.00 173.10 176.75 1xee n LYS 115 N 2.75 0.69 -3.83 2.90 4.81 -1.26 -4.75 118.16 119.46 1xee n LYS 115 Ca 0.07 0.22 -0.09 0.00 -0.87 0.00 0.00 58.31 57.64 1xee n LYS 115 Cb 0.42 -1.60 -0.07 0.00 0.02 0.00 0.00 35.03 33.79 1xee n LYS 115 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1xee s THR 116 N -2.53 0.13 -0.87 3.15 -1.32 -1.26 -5.03 115.64 107.91 1xee s THR 116 Ca -0.30 -1.06 0.27 0.00 -1.21 0.00 0.00 61.69 59.39 1xee s THR 116 Cb 0.08 -1.24 0.25 0.00 -1.51 0.00 0.00 72.50 70.09 1xee s THR 116 CO 0.66 -0.58 1.83 -3.20 -2.21 0.00 0.00 174.62 171.11 1xee n ASN 117 N 0.08 0.36 -4.35 8.08 4.05 -1.26 -3.80 115.26 118.41 1xee n ASN 117 Ca -0.16 0.54 -0.24 0.00 0.45 0.00 0.00 54.58 55.17 1xee n ASN 117 Cb 0.62 -0.63 0.14 0.00 1.23 0.00 0.00 39.78 41.13 1xee n ASN 117 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1xee n GLU 118 N -1.84 -0.38 -2.00 1.20 1.02 -1.26 -3.80 120.64 113.57 1xee n GLU 118 Ca 0.06 -2.52 -0.25 0.00 -0.02 0.00 0.00 57.16 54.42 1xee n GLU 118 Cb 0.36 -0.82 -0.05 0.00 -0.02 0.00 0.00 31.44 30.91 1xee n GLU 118 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1xee s TYR 119 N -3.23 1.76 -0.04 -0.32 2.02 -1.26 -0.74 117.35 115.53 1xee s TYR 119 Ca 0.67 0.76 -0.17 0.00 -0.37 0.00 0.00 57.07 57.96 1xee s TYR 119 Cb -0.03 -3.97 -0.21 0.00 -0.40 0.00 0.00 41.96 37.34 1xee s TYR 119 CO 0.45 -1.65 1.15 0.00 -1.57 0.00 0.00 175.55 173.93 1xee n ALA 120 N 14.53 0.46 -1.68 3.71 0.00 -1.26 -4.86 120.51 131.41 1xee n ALA 120 Ca 0.41 -1.74 0.00 0.00 0.00 0.00 0.00 53.44 52.12 1xee n ALA 120 Cb 0.47 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1xee n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48