#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 -2.57 -3.06 1.20 7.64 -1.26 -5.08 113.62 110.49 1xee n SER 32 Ca 0.00 -0.12 -0.03 0.00 1.01 0.00 0.00 58.87 59.72 1xee n SER 32 Cb 0.00 -1.36 0.02 0.00 -1.01 0.00 0.00 64.21 61.86 1xee n SER 32 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xee n GLY 33 N -1.31 0.69 3.10 0.23 0.00 -1.26 -5.13 105.19 101.52 1xee n GLY 33 Ca -0.03 -1.14 -0.34 0.00 0.00 0.00 0.00 46.02 44.51 1xee n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xee s LEU 34 N 0.00 4.85 0.51 0.99 1.43 -1.26 -4.97 118.68 120.23 1xee s LEU 34 Ca 0.20 -1.93 0.34 0.00 -1.03 0.00 0.00 54.13 51.71 1xee s LEU 34 Cb -0.03 -1.74 1.50 0.00 0.03 0.00 0.00 46.19 45.95 1xee s LEU 34 CO 0.06 -0.44 2.00 1.55 0.23 0.00 0.00 176.35 179.74 1xee h PRO 35 N 7.90 0.00 -2.24 1.29 0.13 -2.02 -3.26 132.00 133.80 1xee h PRO 35 Ca -0.12 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.34 1xee h PRO 35 Cb 1.04 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.81 1xee h PRO 35 CO 0.61 0.00 0.00 2.41 -0.23 0.00 0.00 178.00 180.80 1xee n THR 36 N -2.90 4.18 -4.06 1.56 -1.04 -1.26 -4.96 114.28 105.81 1xee n THR 36 Ca 0.00 -5.69 -0.34 0.00 -2.04 0.00 0.00 64.05 55.99 1xee n THR 36 Cb 0.23 -1.45 -0.07 0.00 -1.82 0.00 0.00 70.33 67.23 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 -4.48 4.93 0.24 12.58 -4.23 -1.23 -0.92 115.64 122.53 1xee s THR 37 Ca 0.45 -0.27 -0.06 0.00 -1.18 0.00 0.00 61.69 60.63 1xee s THR 37 Cb 0.25 -3.24 0.23 0.00 1.34 0.00 0.00 72.50 71.08 1xee s THR 37 CO -0.14 0.40 1.89 0.25 -0.54 0.00 0.00 174.62 176.47 1xee h LEU 38 N 4.23 0.99 -1.62 4.79 5.85 -0.51 -1.73 115.31 127.31 1xee h LEU 38 Ca -0.50 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.18 1xee h LEU 38 Cb 1.19 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 1xee h LEU 38 CO 0.62 0.68 -0.12 1.23 -0.34 0.00 0.00 178.44 180.52 1xee h GLY 39 N 1.16 0.09 1.07 3.75 0.00 -1.51 0.24 103.07 107.87 1xee h GLY 39 Ca 0.36 -0.05 -0.16 0.00 0.00 0.00 0.00 47.33 47.48 1xee h GLY 39 CO -0.12 0.05 -0.44 1.70 0.00 0.00 0.00 176.54 177.73 1xee h LYS 40 N 0.09 0.80 0.72 4.80 3.64 -1.61 -2.42 116.57 122.58 1xee h LYS 40 Ca 0.02 -0.48 -0.03 0.00 -1.27 0.00 0.00 60.65 58.88 1xee h LYS 40 Cb 0.27 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1xee h LYS 40 CO 0.02 1.11 -0.43 1.25 -2.27 0.00 0.00 179.45 179.13 1xee h LEU 41 N 0.56 -1.09 -0.30 5.20 6.46 -1.12 -2.66 115.31 122.36 1xee h LEU 41 Ca 0.02 0.06 0.03 0.00 -0.12 0.00 0.00 57.88 57.87 1xee h LEU 41 Cb 1.04 0.31 -0.04 0.00 -0.73 0.00 0.00 40.66 41.25 1xee h LEU 41 CO 0.10 -0.67 -0.18 -0.67 -0.62 0.00 0.00 178.44 176.40 1xee n ASP 42 N -5.16 -0.32 -0.28 1.25 2.03 0.83 -0.55 116.55 114.35 1xee n ASP 42 Ca -0.13 0.98 0.09 0.00 0.52 0.00 0.00 54.79 56.24 1xee n ASP 42 Cb 0.44 -0.29 0.22 0.00 -0.72 0.00 0.00 41.12 40.77 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 0.15 -0.54 -0.67 4.81 -1.51 -0.59 114.58 116.23 1xee h GLU 43 Ca 0.05 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 1xee h GLU 43 Cb 0.13 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1xee h GLU 43 CO -0.29 0.10 0.04 -0.09 -0.73 0.00 0.00 179.01 178.05 1xee h ARG 44 N 0.16 0.91 -0.07 1.92 2.43 -0.88 -1.67 114.38 117.17 1xee h ARG 44 Ca 0.47 -0.27 -0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1xee h ARG 44 Cb 0.89 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1xee h ARG 44 CO -0.66 0.91 0.04 -0.07 -1.51 0.00 0.00 179.97 178.68 1xee h LEU 45 N 0.79 0.09 -0.48 3.80 -0.00 -0.28 0.18 115.31 119.41 1xee h LEU 45 Ca 0.16 -0.08 -0.02 0.00 -0.00 0.00 0.00 57.88 57.94 1xee h LEU 45 Cb 0.47 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 41.08 1xee h LEU 45 CO 0.02 0.14 0.20 0.03 -0.00 0.00 0.00 178.44 178.83 1xee h ARG 46 N 0.03 0.71 -0.82 1.13 3.08 -0.95 -2.15 114.38 115.41 1xee h ARG 46 Ca 0.03 -0.12 0.05 0.00 0.07 0.00 0.00 59.98 60.00 1xee h ARG 46 Cb 0.07 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 29.95 1xee h ARG 46 CO -0.00 0.62 0.51 -0.91 -1.07 0.00 0.00 179.97 179.12 1xee h ASN 47 N 0.63 0.82 -0.93 7.04 2.35 -1.19 -3.13 115.58 121.18 1xee h ASN 47 Ca 0.16 0.01 0.14 0.00 -0.55 0.00 0.00 56.30 56.06 1xee h ASN 47 Cb 0.17 -0.17 -0.09 0.00 0.05 0.00 0.00 38.32 38.28 1xee h ASN 47 CO -0.02 0.55 0.54 0.22 -1.65 0.00 0.00 177.43 177.07 1xee h TYR 48 N 0.97 0.96 -0.71 1.19 5.03 -0.15 -2.78 116.97 121.47 1xee h TYR 48 Ca 0.34 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.62 1xee h TYR 48 Cb 0.09 -0.29 -0.03 0.00 1.55 0.00 0.00 36.73 38.05 1xee h TYR 48 CO -0.03 0.29 0.21 -0.07 -1.32 0.00 0.00 178.16 177.24 1xee h LEU 49 N 0.78 1.04 -1.41 2.82 3.38 -1.35 -3.17 115.31 117.40 1xee h LEU 49 Ca 0.49 -0.21 0.25 0.00 0.09 0.00 0.00 57.88 58.50 1xee h LEU 49 Cb 0.63 -0.27 -0.09 0.00 0.09 0.00 0.00 40.66 41.02 1xee h LEU 49 CO -0.32 0.98 0.66 0.11 0.09 0.00 0.00 178.44 179.96 1xee h LYS 50 N 1.05 0.38 0.00 1.13 6.56 -1.48 0.26 116.57 124.47 1xee h LYS 50 Ca 0.23 -0.02 -0.23 0.00 -1.06 0.00 0.00 60.65 59.56 1xee h LYS 50 Cb 0.32 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 31.90 1xee h LYS 50 CO -0.01 0.25 -0.96 0.87 -2.06 0.00 0.00 179.45 177.55 1xee h LYS 51 N 0.39 0.44 0.00 3.15 1.57 -1.64 -3.40 116.57 117.08 1xee h LYS 51 Ca 0.57 -0.48 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1xee h LYS 51 Cb 1.46 0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.90 1xee h LYS 51 CO -0.26 1.13 -0.06 0.78 -0.57 0.00 0.00 179.45 180.47 1xee h GLY 52 N 1.15 0.00 -5.18 3.86 0.00 -1.20 -3.46 103.07 98.24 1xee h GLY 52 Ca -0.09 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.65 1xee h GLY 52 CO 0.17 0.00 -0.85 -1.08 0.00 0.00 0.00 176.54 174.78 1xee s THR 53 N -2.17 1.59 -2.00 4.70 -1.32 0.76 -5.00 115.64 112.21 1xee s THR 53 Ca -0.18 -0.81 0.02 0.00 -1.21 0.00 0.00 61.69 59.51 1xee s THR 53 Cb -0.02 -1.36 0.04 0.00 -1.51 0.00 0.00 72.50 69.65 1xee s THR 53 CO 0.62 0.45 0.81 1.17 -2.21 0.00 0.00 174.62 175.47 1xee n LYS 54 N 3.08 0.75 -1.21 7.08 4.81 -1.26 -3.95 118.16 127.46 1xee n LYS 54 Ca -0.18 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.25 1xee n LYS 54 Cb 0.53 -1.03 0.13 0.00 0.02 0.00 0.00 35.03 34.67 1xee n LYS 54 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1xee n ASN 55 N -0.53 2.27 0.08 3.14 4.13 -1.26 -4.76 115.26 118.33 1xee n ASN 55 Ca 0.01 -3.43 0.20 0.00 1.68 0.00 0.00 54.58 53.05 1xee n ASN 55 Cb 0.01 -0.45 0.66 0.00 -1.54 0.00 0.00 39.78 38.46 1xee n ASN 55 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 1xee h SER 56 N 1.36 0.00 -0.06 6.41 4.64 -1.90 -1.87 113.55 122.14 1xee h SER 56 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1xee h SER 56 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1xee h SER 56 CO 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.15 1xee n ALA 57 N -2.21 2.59 0.02 5.18 0.00 -1.26 -3.12 120.51 121.70 1xee n ALA 57 Ca 0.09 -0.28 0.03 0.00 0.00 0.00 0.00 53.44 53.28 1xee n ALA 57 Cb 0.79 -1.24 -0.09 0.00 0.00 0.00 0.00 19.45 18.91 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 -0.38 0.63 -2.47 0.00 7.27 -0.70 -4.80 117.38 116.93 1xee n GLN 58 Ca 0.16 0.08 -0.41 0.00 0.07 0.00 0.00 57.00 56.90 1xee n GLN 58 Cb 0.18 -1.71 -0.04 0.00 2.41 0.00 0.00 30.24 31.08 1xee n GLN 58 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 1xee s PHE 59 N -3.08 3.53 -0.24 3.69 0.08 -1.18 -1.31 117.98 119.47 1xee s PHE 59 Ca -0.04 1.51 0.05 0.00 0.12 0.00 0.00 56.93 58.57 1xee s PHE 59 Cb 0.10 -3.33 -0.18 0.00 -0.57 0.00 0.00 43.02 39.03 1xee s PHE 59 CO 0.83 -0.84 -0.16 -1.91 -0.10 0.00 0.00 175.22 173.04 1xee n GLU 60 N 2.75 0.67 -3.60 0.44 2.13 0.27 -4.48 120.64 118.81 1xee n GLU 60 Ca 0.04 0.11 -0.16 0.00 0.66 0.00 0.00 57.16 57.81 1xee n GLU 60 Cb 0.46 -1.50 -0.07 0.00 0.27 0.00 0.00 31.44 30.60 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 -2.50 0.92 -0.01 5.31 -2.85 -0.83 -1.74 119.74 118.05 1xee s LYS 61 Ca -0.28 0.20 0.05 0.00 -1.00 0.00 0.00 55.97 54.94 1xee s LYS 61 Cb 0.08 0.43 -0.01 0.00 -2.06 0.00 0.00 37.83 36.27 1xee s LYS 61 CO 0.63 -0.27 -0.15 0.00 0.10 0.00 0.00 175.35 175.66 1xee s MET 62 N -1.07 1.17 -0.21 1.78 0.23 0.60 0.85 119.30 122.65 1xee s MET 62 Ca -0.11 -0.56 -0.01 0.00 -1.03 0.00 0.00 55.69 53.99 1xee s MET 62 Cb -0.02 -1.14 0.02 0.00 -1.53 0.00 0.00 34.83 32.16 1xee s MET 62 CO 0.08 0.31 -0.11 0.08 -2.03 0.00 0.00 175.02 173.35 1xee s VAL 63 N -0.40 2.67 -0.32 5.16 1.01 0.91 -0.90 120.40 128.54 1xee s VAL 63 Ca 0.05 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 61.06 1xee s VAL 63 Cb -0.06 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 1xee s VAL 63 CO -0.00 0.38 0.17 -0.63 0.00 0.00 0.00 175.10 175.02 1xee s ILE 64 N 1.35 4.70 -0.19 2.22 1.01 0.92 -1.10 121.20 130.11 1xee s ILE 64 Ca 0.03 -0.41 -0.05 0.00 0.00 0.00 0.00 60.65 60.22 1xee s ILE 64 Cb -0.15 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 1xee s ILE 64 CO -0.07 0.04 -0.01 -0.76 0.00 0.00 0.00 174.94 174.14 1xee s LEU 65 N 1.63 3.27 0.00 2.97 1.43 -0.54 -1.58 118.68 125.85 1xee s LEU 65 Ca 0.05 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 1xee s LEU 65 Cb -0.17 -1.82 -0.00 0.00 0.03 0.00 0.00 46.19 44.23 1xee s LEU 65 CO 0.07 0.09 0.03 0.35 0.23 0.00 0.00 176.35 177.13 1xee n THR 66 N 4.04 0.00 -0.89 5.49 -2.24 -0.38 -0.74 114.28 119.56 1xee n THR 66 Ca -0.17 -1.35 -0.30 0.00 -2.27 0.00 0.00 64.05 59.95 1xee n THR 66 Cb 0.52 0.35 0.17 0.00 -2.10 0.00 0.00 70.33 69.27 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 -2.98 0.82 1.83 -0.78 2.02 -1.16 -4.20 118.70 114.25 1xee s GLU 67 Ca 0.05 1.12 0.00 0.00 0.02 0.00 0.00 54.97 56.16 1xee s GLU 67 Cb 0.00 -1.74 0.00 0.00 0.10 0.00 0.00 34.13 32.50 1xee s GLU 67 CO 0.03 -2.63 0.00 0.09 0.02 0.00 0.00 175.26 172.78 1xee n ASN 68 N -4.19 0.00 -1.41 -0.19 3.02 0.73 -2.09 115.26 111.13 1xee n ASN 68 Ca 0.08 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.58 1xee n ASN 68 Cb 0.54 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.69 1xee n ASN 68 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1xee n LYS 69 N 0.00 0.31 -2.90 3.52 4.76 -1.26 -3.60 118.16 118.99 1xee n LYS 69 Ca 0.00 -1.19 -0.43 0.00 -2.87 0.00 0.00 58.31 53.82 1xee n LYS 69 Cb 0.00 0.39 -0.05 0.00 -1.84 0.00 0.00 35.03 33.53 1xee n LYS 69 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1xee s GLY 70 N -1.19 1.47 -0.34 0.72 0.00 -0.89 -4.94 107.32 102.16 1xee s GLY 70 Ca 0.05 -1.37 0.02 0.00 0.00 0.00 0.00 44.72 43.43 1xee s GLY 70 CO -0.04 1.95 0.09 -0.47 0.00 0.00 0.00 173.10 174.62 1xee s TYR 71 N 3.72 2.90 -0.13 1.90 6.14 -1.25 -1.25 117.35 129.38 1xee s TYR 71 Ca 0.27 -2.52 0.02 0.00 0.64 0.00 0.00 57.07 55.48 1xee s TYR 71 Cb -0.14 -2.43 -0.00 0.00 0.42 0.00 0.00 41.96 39.81 1xee s TYR 71 CO 0.17 -0.91 -0.19 0.71 0.64 0.00 0.00 175.55 175.97 1xee s TYR 72 N 1.08 2.69 -0.25 4.97 2.02 -0.61 -4.98 117.35 122.27 1xee s TYR 72 Ca 0.11 -1.06 -0.05 0.00 -0.37 0.00 0.00 57.07 55.70 1xee s TYR 72 Cb -0.19 -1.81 -0.01 0.00 -0.40 0.00 0.00 41.96 39.56 1xee s TYR 72 CO -0.14 -0.45 0.01 0.99 -1.57 0.00 0.00 175.55 174.39 1xee s THR 73 N 0.60 3.69 -0.07 -0.71 2.01 -1.26 -0.05 115.64 119.84 1xee s THR 73 Ca -0.11 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 61.41 1xee s THR 73 Cb -0.16 -2.76 0.02 0.00 0.01 0.00 0.00 72.50 69.61 1xee s THR 73 CO 0.03 0.31 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.49 1xee s VAL 74 N 1.51 0.95 -0.50 3.82 1.01 -0.08 -4.97 120.40 122.13 1xee s VAL 74 Ca 0.05 -0.33 -0.17 0.00 0.00 0.00 0.00 61.98 61.53 1xee s VAL 74 Cb -0.15 -0.92 0.08 0.00 0.00 0.00 0.00 36.38 35.39 1xee s VAL 74 CO -0.00 0.33 0.50 -0.31 0.00 0.00 0.00 175.10 175.61 1xee s TYR 75 N 1.01 3.17 0.31 5.22 2.02 -1.26 -0.29 117.35 127.53 1xee s TYR 75 Ca -0.09 -0.88 0.12 0.00 -0.37 0.00 0.00 57.07 55.86 1xee s TYR 75 Cb -0.15 -3.45 0.43 0.00 -0.40 0.00 0.00 41.96 38.39 1xee s TYR 75 CO -0.00 -0.94 0.64 1.28 -1.57 0.00 0.00 175.55 174.95 1xee n LEU 76 N 5.58 0.00 0.02 -1.29 4.77 -0.71 -2.28 117.00 123.09 1xee n LEU 76 Ca -0.11 0.37 0.06 0.00 -0.03 0.00 0.00 56.01 56.30 1xee n LEU 76 Cb 0.43 -0.12 -0.10 0.00 -2.33 0.00 0.00 43.42 41.31 1xee n LEU 76 CO 0.51 -0.37 -0.45 -3.20 -1.33 0.00 0.00 177.39 172.55 1xee n ASN 77 N -2.21 0.48 -4.87 -1.43 5.15 -1.25 -4.88 115.26 106.23 1xee n ASN 77 Ca 0.11 0.20 -0.32 0.00 -0.60 0.00 0.00 54.58 53.96 1xee n ASN 77 Cb 0.75 0.94 -0.05 0.00 -0.53 0.00 0.00 39.78 40.89 1xee n ASN 77 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1xee s THR 78 N -3.20 5.21 -0.10 -0.44 -4.23 -0.96 -5.10 115.64 106.82 1xee s THR 78 Ca -0.05 -0.32 -0.27 0.00 -1.18 0.00 0.00 61.69 59.87 1xee s THR 78 Cb 0.10 -3.46 -0.02 0.00 1.34 0.00 0.00 72.50 70.46 1xee s THR 78 CO 0.84 0.27 0.91 -2.16 -0.54 0.00 0.00 174.62 173.93 1xee s PRO 79 N -2.09 4.41 -0.07 3.99 0.05 -1.26 -4.74 135.00 135.28 1xee s PRO 79 Ca 0.29 1.21 -0.33 0.00 0.05 0.00 0.00 61.00 62.21 1xee s PRO 79 Cb -0.13 -3.53 -0.11 0.00 0.05 0.00 0.00 34.50 30.79 1xee s PRO 79 CO 0.20 -0.23 1.92 -0.11 0.05 0.00 0.00 177.00 178.83 1xee n LEU 80 N 4.74 3.57 -4.61 -3.56 7.94 -1.26 -4.97 117.00 118.85 1xee n LEU 80 Ca 0.06 0.93 -0.42 0.00 -1.11 0.00 0.00 56.01 55.47 1xee n LEU 80 Cb 0.49 -1.40 0.01 0.00 0.53 0.00 0.00 43.42 43.05 1xee n LEU 80 CO 0.50 -0.03 0.58 0.00 -1.11 0.00 0.00 177.39 177.34 1xee n ALA 81 N 7.02 0.15 0.24 1.96 0.00 -1.26 -4.80 120.51 123.82 1xee n ALA 81 Ca 0.23 0.24 0.11 0.00 0.00 0.00 0.00 53.44 54.01 1xee n ALA 81 Cb 0.32 -2.08 0.61 0.00 0.00 0.00 0.00 19.45 18.30 1xee n ALA 81 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1xee h GLU 82 N 1.56 0.00 0.00 0.00 4.39 -1.98 0.56 114.58 119.10 1xee h GLU 82 Ca -0.44 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.13 1xee h GLU 82 Cb 1.34 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.97 1xee h GLU 82 CO 0.57 0.18 -0.60 -0.44 -1.16 0.00 0.00 179.01 177.56 1xee h ASP 83 N 0.00 0.00 0.77 1.42 3.32 -1.96 -1.09 116.42 118.88 1xee h ASP 83 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xee h ASP 83 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1xee h ASP 83 CO 0.02 0.60 -0.90 0.54 -1.72 0.00 0.00 179.24 177.78 1xee n ARG 84 N -3.50 0.41 0.18 3.56 1.74 0.00 -2.95 116.66 116.10 1xee n ARG 84 Ca 0.00 0.07 0.05 0.00 -0.77 0.00 0.00 57.85 57.20 1xee n ARG 84 Cb 0.68 -1.71 0.32 0.00 -1.02 0.00 0.00 32.46 30.73 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 0.00 -0.59 5.56 1.57 0.22 -2.19 116.57 121.14 1xee h LYS 85 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1xee h LYS 85 Cb 0.84 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.10 1xee h LYS 85 CO 0.00 0.39 0.08 0.09 -0.57 0.00 0.00 179.45 179.44 1xee n ASN 86 N -3.56 5.21 -4.74 0.86 3.02 -0.89 -1.88 115.26 113.28 1xee n ASN 86 Ca -0.00 -3.05 -0.40 0.00 -0.03 0.00 0.00 54.58 51.10 1xee n ASN 86 Cb 0.51 -0.69 -0.05 0.00 -0.61 0.00 0.00 39.78 38.95 1xee n ASN 86 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xee s VAL 87 N -2.86 4.86 0.39 2.41 1.01 -0.82 -4.97 120.40 120.42 1xee s VAL 87 Ca 0.53 1.49 -0.25 0.00 0.00 0.00 0.00 61.98 63.76 1xee s VAL 87 Cb 0.42 -4.05 -0.09 0.00 0.00 0.00 0.00 36.38 32.66 1xee s VAL 87 CO 0.14 0.34 1.08 -1.83 0.00 0.00 0.00 175.10 174.84 1xee s GLU 88 N 0.16 4.15 1.13 2.72 1.03 -1.26 -0.06 118.70 126.58 1xee s GLU 88 Ca 0.37 1.61 -0.18 0.00 0.03 0.00 0.00 54.97 56.80 1xee s GLU 88 Cb -0.19 -2.61 0.26 0.00 -0.80 0.00 0.00 34.13 30.79 1xee s GLU 88 CO 0.20 -0.18 1.14 -0.51 -1.33 0.00 0.00 175.26 174.58 1xee s LEU 89 N -2.55 1.14 -0.17 1.83 1.43 -0.09 -4.81 118.68 115.45 1xee s LEU 89 Ca 0.57 0.66 0.14 0.00 -1.03 0.00 0.00 54.13 54.47 1xee s LEU 89 Cb -0.25 -2.51 0.42 0.00 0.03 0.00 0.00 46.19 43.88 1xee s LEU 89 CO 0.31 -3.75 1.21 0.18 0.23 0.00 0.00 176.35 174.53 1xee n LEU 90 N -4.51 2.40 0.00 1.79 4.77 -1.26 -4.97 117.00 115.22 1xee n LEU 90 Ca 0.12 -3.52 0.00 0.00 -0.03 0.00 0.00 56.01 52.58 1xee n LEU 90 Cb 0.59 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1xee n LEU 90 CO 0.47 1.23 0.00 0.61 -1.33 0.00 0.00 177.39 178.38 1xee n GLY 91 N -0.77 0.82 3.79 -0.72 0.00 -1.26 -4.10 105.19 102.95 1xee n GLY 91 Ca 0.17 -2.01 -0.37 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.47 4.45 -0.22 1.61 1.02 -1.26 -4.70 119.74 119.18 1xee s LYS 92 Ca 0.00 1.14 -0.28 0.00 0.02 0.00 0.00 55.97 56.85 1xee s LYS 92 Cb 0.00 -2.84 -0.05 0.00 -0.52 0.00 0.00 37.83 34.43 1xee s LYS 92 CO 0.00 0.33 2.09 1.41 -0.92 0.00 0.00 175.35 178.25 1xee s MET 93 N -2.01 3.28 -0.16 1.68 -2.45 -1.26 -2.99 119.30 115.40 1xee s MET 93 Ca 0.47 1.93 -0.17 0.00 -1.25 0.00 0.00 55.69 56.68 1xee s MET 93 Cb -0.18 -4.31 -0.14 0.00 1.25 0.00 0.00 34.83 31.46 1xee s MET 93 CO 0.23 -1.93 0.23 -0.92 1.05 0.00 0.00 175.02 173.68 1xee h TYR 94 N 14.07 0.00 -2.77 4.11 3.20 -1.22 -3.19 116.97 131.17 1xee h TYR 94 Ca -0.40 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.34 1xee h TYR 94 Cb 1.22 0.00 -0.25 0.00 1.54 0.00 0.00 36.73 39.24 1xee h TYR 94 CO 0.94 0.75 -0.28 0.21 -1.64 0.00 0.00 178.16 178.15 1xee s LYS 95 N -2.14 0.43 -0.06 1.82 2.47 -0.86 -1.10 119.74 120.30 1xee s LYS 95 Ca -0.18 0.60 0.03 0.00 -1.56 0.00 0.00 55.97 54.86 1xee s LYS 95 Cb 0.02 0.15 0.01 0.00 -1.46 0.00 0.00 37.83 36.54 1xee s LYS 95 CO 0.42 -0.08 -0.14 0.99 0.16 0.00 0.00 175.35 176.70 1xee s THR 96 N 0.53 1.22 -0.12 3.43 2.01 -1.05 -1.47 115.64 120.20 1xee s THR 96 Ca -0.03 -0.55 0.03 0.00 0.31 0.00 0.00 61.69 61.45 1xee s THR 96 Cb -0.04 -1.10 0.01 0.00 0.01 0.00 0.00 72.50 71.38 1xee s THR 96 CO -0.03 0.37 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.74 1xee s TYR 97 N 0.49 2.51 -0.19 4.92 2.02 -0.26 -0.24 117.35 126.60 1xee s TYR 97 Ca -0.12 -1.14 -0.07 0.00 -0.37 0.00 0.00 57.07 55.37 1xee s TYR 97 Cb -0.15 -1.70 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 1xee s TYR 97 CO 0.04 -0.50 0.05 -0.06 -1.57 0.00 0.00 175.55 173.51 1xee s PHE 98 N 0.60 3.19 -0.27 2.71 0.08 0.13 -0.06 117.98 124.36 1xee s PHE 98 Ca -0.13 -0.06 -0.01 0.00 0.12 0.00 0.00 56.93 56.85 1xee s PHE 98 Cb -0.17 -2.10 0.04 0.00 -0.57 0.00 0.00 43.02 40.22 1xee s PHE 98 CO 0.03 0.03 -0.05 -0.06 -0.10 0.00 0.00 175.22 175.08 1xee s PHE 99 N 0.62 3.14 0.76 0.36 0.08 0.25 -0.64 117.98 122.56 1xee s PHE 99 Ca 0.03 -1.72 -0.15 0.00 0.12 0.00 0.00 56.93 55.21 1xee s PHE 99 Cb -0.13 -2.06 0.02 0.00 -0.57 0.00 0.00 43.02 40.28 1xee s PHE 99 CO 0.02 -0.77 0.92 1.63 -0.10 0.00 0.00 175.22 176.92 1xee n LYS 100 N 4.64 0.32 -1.83 0.44 5.02 -1.26 -0.57 118.16 124.93 1xee n LYS 100 Ca -0.15 0.17 -0.37 0.00 -2.02 0.00 0.00 58.31 55.93 1xee n LYS 100 Cb 0.45 -2.19 -0.03 0.00 -0.02 0.00 0.00 35.03 33.25 1xee n LYS 100 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1xee s LYS 101 N -3.48 2.39 0.00 1.97 2.20 -0.43 -0.51 119.74 121.88 1xee s LYS 101 Ca 0.71 0.96 0.00 0.00 -0.36 0.00 0.00 55.97 57.28 1xee s LYS 101 Cb -0.32 -4.48 0.00 0.00 -1.51 0.00 0.00 37.83 31.52 1xee s LYS 101 CO 0.53 -2.98 0.00 0.41 -0.36 0.00 0.00 175.35 172.95 1xee n GLY 102 N 5.84 0.85 3.36 5.54 0.00 -1.26 -5.02 105.19 114.49 1xee n GLY 102 Ca 0.28 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.84 3.04 -0.02 1.61 2.02 0.34 -4.98 118.70 119.87 1xee s GLU 103 Ca 0.00 -0.75 0.21 0.00 0.02 0.00 0.00 54.97 54.45 1xee s GLU 103 Cb 0.00 -2.47 0.63 0.00 0.10 0.00 0.00 34.13 32.39 1xee s GLU 103 CO 0.00 0.32 1.52 0.43 0.02 0.00 0.00 175.26 177.55 1xee n SER 104 N 3.19 3.86 -4.74 -0.19 7.64 -1.26 -4.12 113.62 117.98 1xee n SER 104 Ca -0.18 -2.06 -0.39 0.00 1.01 0.00 0.00 58.87 57.25 1xee n SER 104 Cb 0.53 -0.48 -0.06 0.00 -1.01 0.00 0.00 64.21 63.19 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 -1.17 4.34 -0.49 1.43 3.01 -1.26 -5.03 119.74 120.56 1xee s LYS 105 Ca 0.47 0.67 -0.27 0.00 -1.01 0.00 0.00 55.97 55.83 1xee s LYS 105 Cb 0.25 -3.39 -0.03 0.00 -1.01 0.00 0.00 37.83 33.65 1xee s LYS 105 CO 0.31 0.25 1.93 -1.12 0.51 0.00 0.00 175.35 177.22 1xee s SER 106 N 0.25 5.35 0.06 2.83 0.01 -1.26 -4.51 113.70 116.43 1xee s SER 106 Ca 0.31 0.80 0.14 0.00 1.31 0.00 0.00 55.95 58.51 1xee s SER 106 Cb -0.17 -2.52 -0.15 0.00 0.21 0.00 0.00 66.02 63.39 1xee s SER 106 CO 0.15 -2.22 0.88 -1.28 0.41 0.00 0.00 173.24 171.18 1xee h SER 107 N 14.97 0.00 -3.25 2.44 0.87 -1.27 -3.47 113.55 123.83 1xee h SER 107 Ca -0.29 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.09 1xee h SER 107 Cb 1.18 0.00 -0.29 0.00 -0.44 0.00 0.00 62.40 62.85 1xee h SER 107 CO 1.14 0.73 -0.45 -0.47 -0.53 0.00 0.00 176.83 177.25 1xee s TYR 108 N -2.81 -0.40 -0.03 2.24 6.14 -1.13 -5.00 117.35 116.35 1xee s TYR 108 Ca -0.02 0.92 0.06 0.00 0.64 0.00 0.00 57.07 58.66 1xee s TYR 108 Cb 0.08 0.08 -0.01 0.00 0.42 0.00 0.00 41.96 42.54 1xee s TYR 108 CO 0.81 -0.27 -0.21 0.54 0.64 0.00 0.00 175.55 177.05 1xee s VAL 109 N 1.45 1.71 0.17 3.14 0.11 -1.26 0.17 120.40 125.89 1xee s VAL 109 Ca -0.08 -0.90 -0.08 0.00 -2.93 0.00 0.00 61.98 57.99 1xee s VAL 109 Cb -0.10 -1.44 -0.06 0.00 -1.53 0.00 0.00 36.38 33.25 1xee s VAL 109 CO -0.09 0.48 0.47 -0.63 -3.33 0.00 0.00 175.10 172.00 1xee s ILE 110 N -0.27 5.03 -0.31 7.04 1.01 0.66 -4.95 121.20 129.41 1xee s ILE 110 Ca 0.02 0.34 0.00 0.00 0.00 0.00 0.00 60.65 61.01 1xee s ILE 110 Cb -0.10 -3.63 0.07 0.00 0.01 0.00 0.00 42.46 38.80 1xee s ILE 110 CO 0.01 0.04 0.01 0.20 0.00 0.00 0.00 174.94 175.21 1xee s ASN 111 N -2.25 4.83 0.29 3.58 0.01 -1.26 -2.54 114.94 117.60 1xee s ASN 111 Ca 0.42 -1.56 0.02 0.00 -0.71 0.00 0.00 52.86 51.04 1xee s ASN 111 Cb -0.12 -1.68 0.02 0.00 0.41 0.00 0.00 41.25 39.88 1xee s ASN 111 CO 0.22 -0.31 0.15 0.61 -1.51 0.00 0.00 177.10 176.26 1xee n GLY 112 N 4.52 3.20 0.00 0.66 0.00 -0.26 -5.02 105.19 108.28 1xee n GLY 112 Ca -0.09 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.67 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 -1.04 0.00 0.00 1.61 -0.05 -1.20 -4.80 135.00 129.51 1xee n PRO 113 Ca -0.05 0.10 0.00 0.00 -0.05 0.00 0.00 63.50 63.50 1xee n PRO 113 Cb 0.35 -0.45 0.00 0.00 -0.05 0.00 0.00 33.50 33.35 1xee n PRO 113 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1xee n GLY 114 N 2.15 2.25 1.96 0.55 0.00 -1.25 -4.73 105.19 106.11 1xee n GLY 114 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 14.00 0.00 -3.50 1.61 5.02 -1.26 -5.04 118.16 128.99 1xee n LYS 115 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 1xee n LYS 115 Cb 0.00 -0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.03 1xee n LYS 115 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1xee n THR 116 N -2.72 0.00 -0.32 -0.18 5.66 -1.26 -5.04 114.28 110.43 1xee n THR 116 Ca 0.00 -0.79 -0.04 0.00 -3.05 0.00 0.00 64.05 60.16 1xee n THR 116 Cb 0.00 0.84 0.20 0.00 -1.55 0.00 0.00 70.33 69.81 1xee n THR 116 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1xee n ASN 117 N -1.42 3.81 -4.77 1.09 5.03 -1.26 -3.92 115.26 113.82 1xee n ASN 117 Ca -0.07 -2.79 -0.31 0.00 0.87 0.00 0.00 54.58 52.28 1xee n ASN 117 Cb 0.53 -0.66 -0.07 0.00 -1.02 0.00 0.00 39.78 38.55 1xee n ASN 117 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1xee s GLU 118 N -2.13 2.19 0.71 3.52 2.02 -1.26 -4.79 118.70 118.96 1xee s GLU 118 Ca 0.36 -2.29 -0.16 0.00 0.02 0.00 0.00 54.97 52.90 1xee s GLU 118 Cb 0.29 -1.65 0.03 0.00 0.10 0.00 0.00 34.13 32.89 1xee s GLU 118 CO 0.09 -0.37 1.24 0.71 0.02 0.00 0.00 175.26 176.95 1xee s TYR 119 N -2.83 2.03 -0.48 1.61 2.02 -1.24 -0.19 117.35 118.26 1xee s TYR 119 Ca 0.14 1.57 -0.14 0.00 -0.37 0.00 0.00 57.07 58.28 1xee s TYR 119 Cb 0.02 -3.55 0.10 0.00 -0.40 0.00 0.00 41.96 38.13 1xee s TYR 119 CO 0.08 -2.73 0.40 0.00 -1.57 0.00 0.00 175.55 171.72 1xee s ALA 120 N -1.80 3.52 0.00 3.71 0.00 -1.26 -4.65 121.76 121.28 1xee s ALA 120 Ca 0.77 -2.31 0.00 0.00 0.00 0.00 0.00 51.96 50.42 1xee s ALA 120 Cb -0.32 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1xee s ALA 120 CO 0.44 -1.83 0.43 0.98 0.00 0.00 0.00 175.76 175.78