#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 -0.21 0.00 1.20 2.88 -1.26 -4.86 113.62 111.37 1xee n SER 32 Ca 0.00 -2.49 0.00 0.00 -1.33 0.00 0.00 58.87 55.05 1xee n SER 32 Cb 0.00 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 1xee n SER 32 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xee n GLY 33 N 2.40 0.00 2.80 0.46 0.00 -1.26 -5.03 105.19 104.56 1xee n GLY 33 Ca 0.27 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.06 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 0.75 -0.40 0.99 1.43 -1.26 -4.91 118.68 115.28 1xee s LEU 34 Ca 0.00 -0.11 -0.27 0.00 -1.03 0.00 0.00 54.13 52.72 1xee s LEU 34 Cb 0.00 -0.48 -0.06 0.00 0.03 0.00 0.00 46.19 45.68 1xee s LEU 34 CO 0.00 -0.17 2.33 -2.84 0.23 0.00 0.00 176.35 175.91 1xee s PRO 35 N 1.80 2.46 0.00 1.29 0.02 -1.26 -4.95 135.00 134.35 1xee s PRO 35 Ca 0.03 1.60 0.00 0.00 0.02 0.00 0.00 61.00 62.65 1xee s PRO 35 Cb -0.13 -4.51 0.00 0.00 0.02 0.00 0.00 34.50 29.89 1xee s PRO 35 CO -0.05 -2.87 0.00 -2.37 -0.33 0.00 0.00 177.00 171.38 1xee n THR 36 N 7.91 0.00 -4.01 0.99 5.66 -1.26 -4.77 114.28 118.79 1xee n THR 36 Ca 0.34 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 61.05 1xee n THR 36 Cb 0.51 -1.06 -0.05 0.00 -1.55 0.00 0.00 70.33 68.19 1xee n THR 36 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1xee s THR 37 N 0.77 4.85 0.32 1.09 -4.23 -1.26 -0.98 115.64 116.20 1xee s THR 37 Ca 0.00 -0.75 0.02 0.00 -1.18 0.00 0.00 61.69 59.78 1xee s THR 37 Cb 0.00 -3.40 0.28 0.00 1.34 0.00 0.00 72.50 70.71 1xee s THR 37 CO 0.00 0.03 1.95 0.25 -0.54 0.00 0.00 174.62 176.31 1xee h LEU 38 N 2.82 0.83 -0.96 4.79 5.85 -0.50 -1.99 115.31 126.16 1xee h LEU 38 Ca -0.47 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.30 1xee h LEU 38 Cb 1.18 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.96 1xee h LEU 38 CO 0.68 0.56 0.62 1.23 -0.34 0.00 0.00 178.44 181.18 1xee h GLY 39 N 0.96 1.42 0.48 3.75 0.00 -1.32 0.12 103.07 108.48 1xee h GLY 39 Ca 0.33 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 47.12 1xee h GLY 39 CO -0.10 0.36 -0.31 0.50 0.00 0.00 0.00 176.54 176.98 1xee h LYS 40 N 1.16 0.20 -0.63 4.80 1.57 -1.59 -2.73 116.57 119.35 1xee h LYS 40 Ca 0.40 -0.23 -0.07 0.00 -1.87 0.00 0.00 60.65 58.88 1xee h LYS 40 Cb 0.08 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1xee h LYS 40 CO -0.15 0.97 0.13 -0.07 -0.57 0.00 0.00 179.45 179.76 1xee h LEU 41 N -0.47 0.95 0.14 2.94 3.38 -1.35 -2.61 115.31 118.29 1xee h LEU 41 Ca -0.04 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.75 1xee h LEU 41 Cb 1.08 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 1xee h LEU 41 CO 0.06 0.93 -0.32 -0.78 0.09 0.00 0.00 178.44 178.43 1xee h ASP 42 N 0.95 -0.92 -0.93 -0.43 3.58 -0.78 0.23 116.42 118.12 1xee h ASP 42 Ca 0.20 0.10 0.24 0.00 0.42 0.00 0.00 57.03 57.99 1xee h ASP 42 Cb 0.37 0.35 -0.13 0.00 1.72 0.00 0.00 39.33 41.64 1xee h ASP 42 CO 0.00 -0.41 0.45 -0.08 -2.88 0.00 0.00 179.24 176.32 1xee h GLU 43 N -0.55 0.40 -0.04 0.28 4.81 -1.47 -1.23 114.58 116.77 1xee h GLU 43 Ca 0.03 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1xee h GLU 43 Cb 0.58 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 1xee h GLU 43 CO -0.18 0.26 -0.03 0.00 -0.73 0.00 0.00 179.01 178.33 1xee h ARG 44 N 0.41 0.09 -0.56 1.92 2.47 -0.99 -3.03 114.38 114.69 1xee h ARG 44 Ca 0.60 -0.04 0.03 0.00 -1.26 0.00 0.00 59.98 59.31 1xee h ARG 44 Cb 1.19 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.47 1xee h ARG 44 CO -0.54 0.53 0.33 -0.07 0.56 0.00 0.00 179.97 180.78 1xee h LEU 45 N -0.36 0.53 -0.30 3.04 3.38 -0.25 0.33 115.31 121.68 1xee h LEU 45 Ca 0.01 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xee h LEU 45 Cb 0.51 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1xee h LEU 45 CO 0.01 0.37 0.19 0.03 0.09 0.00 0.00 178.44 179.12 1xee h ARG 46 N 0.65 0.40 -0.25 1.13 3.08 -1.32 -2.80 114.38 115.27 1xee h ARG 46 Ca 0.23 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.17 1xee h ARG 46 Cb 0.05 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1xee h ARG 46 CO -0.11 0.30 -0.16 -0.91 -1.07 0.00 0.00 179.97 178.02 1xee h ASN 47 N 0.39 0.42 -0.92 7.04 2.35 -1.24 -3.14 115.58 120.48 1xee h ASN 47 Ca 0.11 -0.11 0.18 0.00 -0.55 0.00 0.00 56.30 55.93 1xee h ASN 47 Cb -0.01 -0.11 -0.07 0.00 0.05 0.00 0.00 38.32 38.18 1xee h ASN 47 CO -0.02 0.61 0.59 1.88 -1.65 0.00 0.00 177.43 178.84 1xee h TYR 48 N 0.40 0.72 -0.77 1.19 -1.99 -0.11 -1.03 116.97 115.39 1xee h TYR 48 Ca 0.07 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.81 1xee h TYR 48 Cb 0.51 -0.22 -0.04 0.00 2.00 0.00 0.00 36.73 38.98 1xee h TYR 48 CO 0.01 0.21 0.42 -0.07 -0.00 0.00 0.00 178.16 178.74 1xee h LEU 49 N 0.56 0.95 -0.22 3.88 3.38 -1.48 0.89 115.31 123.28 1xee h LEU 49 Ca 0.48 -0.08 -0.21 0.00 0.09 0.00 0.00 57.88 58.16 1xee h LEU 49 Cb 0.98 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.50 1xee h LEU 49 CO -0.22 0.76 -0.72 0.11 0.09 0.00 0.00 178.44 178.46 1xee h LYS 50 N 1.07 0.78 0.00 1.13 6.56 -1.32 0.12 116.57 124.92 1xee h LYS 50 Ca 0.27 -0.60 0.00 0.00 -1.06 0.00 0.00 60.65 59.26 1xee h LYS 50 Cb 0.02 0.11 0.00 0.00 -0.57 0.00 0.00 32.23 31.80 1xee h LYS 50 CO -0.04 1.22 0.00 0.36 -2.06 0.00 0.00 179.45 178.92 1xee n LYS 51 N -3.94 0.25 -0.12 3.15 2.85 -0.87 -4.30 118.16 115.18 1xee n LYS 51 Ca -0.06 0.25 -0.17 0.00 -1.05 0.00 0.00 58.31 57.28 1xee n LYS 51 Cb 0.72 -1.82 -0.12 0.00 -0.65 0.00 0.00 35.03 33.16 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 1.07 -0.37 0.00 2.58 0.00 0.30 -5.05 105.19 103.72 1xee n GLY 52 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1xee n GLY 52 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1xee n THR 53 N -3.20 0.00 -1.30 2.61 5.66 0.42 -5.07 114.28 113.39 1xee n THR 53 Ca -0.43 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.57 1xee n THR 53 Cb 0.98 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.76 1xee n THR 53 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1xee n LYS 54 N 0.00 0.00 -0.85 1.09 5.02 -1.26 -4.16 118.16 117.99 1xee n LYS 54 Ca 0.00 -0.06 -0.02 0.00 -2.02 0.00 0.00 58.31 56.21 1xee n LYS 54 Cb 0.00 -0.35 0.18 0.00 -0.02 0.00 0.00 35.03 34.85 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 0.00 2.46 -0.50 4.39 4.13 -1.26 -4.82 115.26 119.65 1xee n ASN 55 Ca 0.00 -3.85 0.42 0.00 1.68 0.00 0.00 54.58 52.83 1xee n ASN 55 Cb 0.29 -0.56 0.70 0.00 -1.54 0.00 0.00 39.78 38.66 1xee n ASN 55 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1xee n SER 56 N -1.08 0.19 0.00 6.41 7.64 -1.26 -1.81 113.62 123.70 1xee n SER 56 Ca 0.28 1.35 0.09 0.00 1.01 0.00 0.00 58.87 61.60 1xee n SER 56 Cb 0.86 -0.66 0.48 0.00 -1.01 0.00 0.00 64.21 63.87 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 -2.57 2.01 0.17 -0.43 0.00 -1.26 -2.72 120.51 115.70 1xee n ALA 57 Ca 0.41 -0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.84 1xee n ALA 57 Cb 1.63 -1.30 0.08 0.00 0.00 0.00 0.00 19.45 19.86 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 -5.91 0.00 5.75 -1.76 -3.46 115.11 109.73 1xee h GLN 58 Ca 0.00 0.00 -0.57 0.00 -0.15 0.00 0.00 58.65 57.93 1xee h GLN 58 Cb 0.17 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 28.66 1xee h GLN 58 CO 0.00 0.21 0.02 -0.06 -2.65 0.00 0.00 178.83 176.36 1xee s PHE 59 N -3.11 3.54 -0.17 3.99 0.08 -1.10 -0.11 117.98 121.09 1xee s PHE 59 Ca 0.05 1.11 -0.01 0.00 0.12 0.00 0.00 56.93 58.19 1xee s PHE 59 Cb 0.07 -2.73 -0.22 0.00 -0.57 0.00 0.00 43.02 39.56 1xee s PHE 59 CO 0.72 0.08 0.15 -1.91 -0.10 0.00 0.00 175.22 174.16 1xee n GLU 60 N 3.88 0.71 -3.84 0.44 2.13 0.48 -4.64 120.64 119.79 1xee n GLU 60 Ca -0.03 0.21 -0.09 0.00 0.66 0.00 0.00 57.16 57.91 1xee n GLU 60 Cb 0.51 -1.63 -0.06 0.00 0.27 0.00 0.00 31.44 30.53 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 -2.54 1.06 -0.06 5.31 -2.85 -1.01 -1.20 119.74 118.45 1xee s LYS 61 Ca -0.26 -0.98 -0.06 0.00 -1.00 0.00 0.00 55.97 53.68 1xee s LYS 61 Cb 0.08 0.40 0.02 0.00 -2.06 0.00 0.00 37.83 36.26 1xee s LYS 61 CO 0.71 -0.39 0.16 0.00 0.10 0.00 0.00 175.35 175.94 1xee s MET 62 N -3.89 0.19 -0.20 1.78 0.23 0.73 0.21 119.30 118.34 1xee s MET 62 Ca 0.09 0.24 -0.00 0.00 -1.03 0.00 0.00 55.69 54.99 1xee s MET 62 Cb 0.03 0.08 0.02 0.00 -1.53 0.00 0.00 34.83 33.42 1xee s MET 62 CO -0.06 -0.03 -0.14 0.08 -2.03 0.00 0.00 175.02 172.84 1xee s VAL 63 N 0.16 2.47 -0.24 5.16 1.01 0.12 -0.51 120.40 128.58 1xee s VAL 63 Ca -0.01 -0.90 -0.09 0.00 0.00 0.00 0.00 61.98 60.98 1xee s VAL 63 Cb -0.02 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1xee s VAL 63 CO -0.00 0.43 0.13 -0.63 0.00 0.00 0.00 175.10 175.03 1xee s ILE 64 N 1.33 5.05 -0.15 2.22 1.01 0.11 -0.15 121.20 130.61 1xee s ILE 64 Ca 0.04 0.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.73 1xee s ILE 64 Cb -0.14 -3.35 -0.02 0.00 0.01 0.00 0.00 42.46 38.96 1xee s ILE 64 CO -0.09 0.35 -0.06 -0.76 0.00 0.00 0.00 174.94 174.38 1xee s LEU 65 N 1.12 3.10 0.00 2.97 1.43 0.26 -0.51 118.68 127.04 1xee s LEU 65 Ca 0.06 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 1xee s LEU 65 Cb -0.14 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.34 1xee s LEU 65 CO 0.04 0.18 0.06 0.35 0.23 0.00 0.00 176.35 177.21 1xee n THR 66 N 3.48 0.00 -1.16 5.49 -2.24 -0.02 -0.51 114.28 119.32 1xee n THR 66 Ca -0.18 -1.68 -0.34 0.00 -2.27 0.00 0.00 64.05 59.59 1xee n THR 66 Cb 0.53 0.49 0.12 0.00 -2.10 0.00 0.00 70.33 69.37 1xee n THR 66 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xee n GLU 67 N -0.75 0.26 0.00 -0.78 1.02 -1.18 -3.82 120.64 115.38 1xee n GLU 67 Ca -0.09 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1xee n GLU 67 Cb 0.44 -2.45 0.00 0.00 -0.02 0.00 0.00 31.44 29.41 1xee n GLU 67 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xee n ASN 68 N -3.17 0.00 -1.78 1.62 3.02 0.01 -1.95 115.26 113.02 1xee n ASN 68 Ca 0.14 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.65 1xee n ASN 68 Cb 0.50 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.70 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 0.64 -2.77 3.52 4.76 -1.26 -3.91 118.16 119.13 1xee n LYS 69 Ca 0.00 -0.96 -0.43 0.00 -2.87 0.00 0.00 58.31 54.05 1xee n LYS 69 Cb 0.00 0.43 -0.04 0.00 -1.84 0.00 0.00 35.03 33.58 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 -0.92 1.45 -0.30 0.72 0.00 -0.82 -4.96 107.32 102.49 1xee s GLY 70 Ca 0.04 -0.67 0.01 0.00 0.00 0.00 0.00 44.72 44.09 1xee s GLY 70 CO -0.06 2.11 0.06 -0.47 0.00 0.00 0.00 173.10 174.74 1xee s TYR 71 N 3.86 2.28 -0.14 1.90 6.14 -1.25 -0.84 117.35 129.30 1xee s TYR 71 Ca 0.40 -2.01 0.02 0.00 0.64 0.00 0.00 57.07 56.11 1xee s TYR 71 Cb -0.10 -1.96 0.01 0.00 0.42 0.00 0.00 41.96 40.34 1xee s TYR 71 CO 0.26 -0.87 -0.18 0.71 0.64 0.00 0.00 175.55 176.11 1xee s TYR 72 N 1.42 2.41 -0.24 4.97 2.02 0.33 -4.97 117.35 123.28 1xee s TYR 72 Ca 0.07 -1.25 -0.07 0.00 -0.37 0.00 0.00 57.07 55.45 1xee s TYR 72 Cb -0.18 -1.68 -0.03 0.00 -0.40 0.00 0.00 41.96 39.67 1xee s TYR 72 CO -0.17 -0.61 0.06 0.99 -1.57 0.00 0.00 175.55 174.24 1xee s THR 73 N 1.04 4.26 -0.06 -0.71 2.01 -1.26 0.05 115.64 120.97 1xee s THR 73 Ca -0.03 -0.19 0.01 0.00 0.31 0.00 0.00 61.69 61.79 1xee s THR 73 Cb -0.15 -2.98 0.02 0.00 0.01 0.00 0.00 72.50 69.40 1xee s THR 73 CO -0.05 0.35 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.47 1xee s VAL 74 N 1.55 0.78 -0.40 3.82 1.01 0.34 -5.01 120.40 122.49 1xee s VAL 74 Ca 0.06 -0.25 -0.15 0.00 0.00 0.00 0.00 61.98 61.64 1xee s VAL 74 Cb -0.15 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.47 1xee s VAL 74 CO 0.03 0.29 0.34 -0.31 0.00 0.00 0.00 175.10 175.45 1xee s TYR 75 N 0.96 3.21 0.63 5.22 2.02 -1.26 -0.19 117.35 127.94 1xee s TYR 75 Ca -0.10 -0.41 0.09 0.00 -0.37 0.00 0.00 57.07 56.27 1xee s TYR 75 Cb -0.15 -2.68 0.46 0.00 -0.40 0.00 0.00 41.96 39.20 1xee s TYR 75 CO 0.00 -0.58 1.25 -0.07 -1.57 0.00 0.00 175.55 174.58 1xee h LEU 76 N 8.76 0.00 -0.36 -1.29 3.38 -1.46 -3.25 115.31 121.09 1xee h LEU 76 Ca -0.28 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.53 1xee h LEU 76 Cb 1.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1xee h LEU 76 CO 0.73 0.00 -0.79 -1.13 0.09 0.00 0.00 178.44 177.34 1xee h ASN 77 N 0.00 0.00 -4.47 -0.43 -0.00 -1.79 -3.45 115.58 105.43 1xee h ASN 77 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 56.30 55.89 1xee h ASN 77 Cb 1.58 0.00 -0.22 0.00 -0.00 0.00 0.00 38.32 39.68 1xee h ASN 77 CO 0.00 0.79 -0.78 0.42 -0.00 0.00 0.00 177.43 177.86 1xee s THR 78 N -3.14 1.09 0.58 -3.57 -4.23 -1.23 -5.12 115.64 100.03 1xee s THR 78 Ca 0.00 -1.26 -0.19 0.00 -1.18 0.00 0.00 61.69 59.06 1xee s THR 78 Cb 0.11 -1.04 -0.04 0.00 1.34 0.00 0.00 72.50 72.87 1xee s THR 78 CO 0.79 -0.21 1.19 -2.84 -0.54 0.00 0.00 174.62 173.02 1xee s PRO 79 N -1.66 3.05 0.18 3.99 0.02 -1.26 -4.74 135.00 134.58 1xee s PRO 79 Ca -0.02 1.79 -0.31 0.00 0.02 0.00 0.00 61.00 62.48 1xee s PRO 79 Cb -0.10 -1.94 -0.09 0.00 0.02 0.00 0.00 34.50 32.39 1xee s PRO 79 CO 0.02 -1.14 1.42 -1.17 -0.33 0.00 0.00 177.00 175.81 1xee s LEU 80 N -4.02 4.39 0.61 -5.54 2.96 -1.26 -4.95 118.68 110.87 1xee s LEU 80 Ca 0.77 2.51 -0.18 0.00 -0.22 0.00 0.00 54.13 57.00 1xee s LEU 80 Cb -0.29 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.74 1xee s LEU 80 CO 0.32 -0.67 0.85 0.00 -1.32 0.00 0.00 176.35 175.52 1xee n ALA 81 N 3.17 -0.21 0.09 5.97 0.00 -1.26 -4.77 120.51 123.50 1xee n ALA 81 Ca 0.09 -0.03 -0.07 0.00 0.00 0.00 0.00 53.44 53.44 1xee n ALA 81 Cb 0.41 -2.04 0.03 0.00 0.00 0.00 0.00 19.45 17.85 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 0.32 0.17 -0.63 0.00 4.39 -1.99 0.15 114.58 116.98 1xee h GLU 82 Ca -0.48 -0.16 0.03 0.00 0.34 0.00 0.00 59.36 59.09 1xee h GLU 82 Cb 1.37 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 30.02 1xee h GLU 82 CO 0.49 0.88 0.39 -0.44 -1.16 0.00 0.00 179.01 179.17 1xee h ASP 83 N 0.10 0.62 1.30 1.42 3.32 -2.00 -2.79 116.42 118.38 1xee h ASP 83 Ca -0.03 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 1xee h ASP 83 Cb 1.40 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 1xee h ASP 83 CO 0.12 0.43 -0.72 0.03 -1.72 0.00 0.00 179.24 177.37 1xee h ARG 84 N 0.75 0.00 0.00 3.56 3.08 -1.63 -3.20 114.38 116.94 1xee h ARG 84 Ca 0.26 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 1xee h ARG 84 Cb 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1xee h ARG 84 CO -0.11 0.13 -0.05 1.57 -1.07 0.00 0.00 179.97 180.43 1xee h LYS 85 N 0.00 0.00 -0.64 0.04 2.10 -0.74 -1.10 116.57 116.23 1xee h LYS 85 Ca -0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1xee h LYS 85 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1xee h LYS 85 CO 0.02 0.05 0.00 -1.71 -2.00 0.00 0.00 179.45 175.81 1xee n ASN 86 N -3.13 3.92 -4.65 7.07 5.15 -1.14 -1.21 115.26 121.27 1xee n ASN 86 Ca 0.03 -2.42 -0.35 0.00 -0.60 0.00 0.00 54.58 51.24 1xee n ASN 86 Cb 0.47 -0.53 -0.10 0.00 -0.53 0.00 0.00 39.78 39.09 1xee n ASN 86 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1xee s VAL 87 N -1.90 4.62 0.11 3.44 1.01 -0.42 -4.89 120.40 122.38 1xee s VAL 87 Ca 0.39 -0.11 -0.14 0.00 0.00 0.00 0.00 61.98 62.13 1xee s VAL 87 Cb 0.26 -3.03 -0.07 0.00 0.00 0.00 0.00 36.38 33.54 1xee s VAL 87 CO 0.17 0.52 0.51 -1.83 0.00 0.00 0.00 175.10 174.47 1xee s GLU 88 N -0.09 3.94 -0.11 2.72 -1.05 -1.26 0.06 118.70 122.92 1xee s GLU 88 Ca 0.06 0.43 -0.27 0.00 -0.15 0.00 0.00 54.97 55.04 1xee s GLU 88 Cb -0.12 -2.99 -0.02 0.00 -0.44 0.00 0.00 34.13 30.56 1xee s GLU 88 CO 0.01 0.53 0.90 -0.51 0.95 0.00 0.00 175.26 177.14 1xee s LEU 89 N -1.81 4.25 0.00 1.83 1.43 -0.15 -4.82 118.68 119.41 1xee s LEU 89 Ca 0.35 1.37 0.00 0.00 -1.03 0.00 0.00 54.13 54.82 1xee s LEU 89 Cb -0.15 -3.38 0.00 0.00 0.03 0.00 0.00 46.19 42.69 1xee s LEU 89 CO 0.18 -0.36 0.00 0.18 0.23 0.00 0.00 176.35 176.59 1xee n LEU 90 N 4.75 0.00 0.00 1.79 4.77 -1.26 -4.77 117.00 122.28 1xee n LEU 90 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1xee n LEU 90 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1xee n LEU 90 CO 0.50 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1xee n GLY 91 N 0.84 0.75 3.84 -0.72 0.00 -1.26 -4.59 105.19 104.04 1xee n GLY 91 Ca 0.00 -1.66 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.51 4.08 -0.22 1.61 1.02 -1.26 -4.69 119.74 118.77 1xee s LYS 92 Ca 0.00 0.91 -0.29 0.00 0.02 0.00 0.00 55.97 56.61 1xee s LYS 92 Cb 0.00 -2.26 -0.04 0.00 -0.52 0.00 0.00 37.83 35.01 1xee s LYS 92 CO 0.00 -0.02 1.92 1.41 -0.92 0.00 0.00 175.35 177.74 1xee s MET 93 N -3.33 3.48 -0.10 1.68 1.75 -1.26 -3.30 119.30 118.21 1xee s MET 93 Ca 0.58 1.84 -0.05 0.00 -1.25 0.00 0.00 55.69 56.81 1xee s MET 93 Cb -0.10 -4.21 -0.02 0.00 2.84 0.00 0.00 34.83 33.34 1xee s MET 93 CO 0.19 -1.69 -0.10 -0.92 -0.65 0.00 0.00 175.02 171.85 1xee h TYR 94 N 12.82 0.00 -1.96 4.11 3.20 -1.05 -1.40 116.97 132.69 1xee h TYR 94 Ca -0.38 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.37 1xee h TYR 94 Cb 1.20 0.00 -0.28 0.00 1.54 0.00 0.00 36.73 39.18 1xee h TYR 94 CO 0.94 0.00 -0.43 0.15 -1.64 0.00 0.00 178.16 177.18 1xee s LYS 95 N -1.81 0.36 -0.24 1.82 1.02 -0.84 -1.13 119.74 118.91 1xee s LYS 95 Ca -0.08 0.70 -0.16 0.00 0.02 0.00 0.00 55.97 56.45 1xee s LYS 95 Cb 0.01 -0.19 -0.04 0.00 -0.52 0.00 0.00 37.83 37.10 1xee s LYS 95 CO 0.12 -0.54 0.42 0.99 -0.92 0.00 0.00 175.35 175.41 1xee s THR 96 N 2.59 5.16 -0.24 2.17 2.01 0.18 -0.57 115.64 126.93 1xee s THR 96 Ca 0.10 0.69 -0.05 0.00 0.31 0.00 0.00 61.69 62.74 1xee s THR 96 Cb -0.15 -3.74 -0.01 0.00 0.01 0.00 0.00 72.50 68.62 1xee s THR 96 CO -0.16 0.17 0.00 -0.31 -0.69 0.00 0.00 174.62 173.64 1xee s TYR 97 N 1.88 3.03 -0.20 4.92 2.02 0.78 -0.99 117.35 128.79 1xee s TYR 97 Ca 0.18 -0.90 -0.10 0.00 -0.37 0.00 0.00 57.07 55.89 1xee s TYR 97 Cb -0.15 -2.15 -0.05 0.00 -0.40 0.00 0.00 41.96 39.20 1xee s TYR 97 CO 0.09 -0.53 0.12 -0.06 -1.57 0.00 0.00 175.55 173.60 1xee s PHE 98 N 1.50 3.36 -0.17 2.71 0.40 0.68 0.15 117.98 126.61 1xee s PHE 98 Ca 0.05 0.26 -0.02 0.00 -0.60 0.00 0.00 56.93 56.62 1xee s PHE 98 Cb -0.15 -2.17 -0.01 0.00 0.51 0.00 0.00 43.02 41.20 1xee s PHE 98 CO -0.01 0.22 -0.08 -0.06 0.70 0.00 0.00 175.22 175.99 1xee s PHE 99 N 0.50 2.91 0.74 0.36 0.40 0.13 -3.27 117.98 119.75 1xee s PHE 99 Ca 0.07 -0.74 -0.11 0.00 -0.60 0.00 0.00 56.93 55.55 1xee s PHE 99 Cb -0.12 -1.97 0.04 0.00 0.51 0.00 0.00 43.02 41.48 1xee s PHE 99 CO -0.00 -0.34 1.08 0.15 0.70 0.00 0.00 175.22 176.80 1xee s LYS 100 N 0.85 2.52 -1.07 0.44 1.02 -1.26 -0.39 119.74 121.85 1xee s LYS 100 Ca -0.02 0.93 -0.22 0.00 0.02 0.00 0.00 55.97 56.67 1xee s LYS 100 Cb -0.15 -1.94 -0.00 0.00 -0.52 0.00 0.00 37.83 35.21 1xee s LYS 100 CO 0.01 -1.39 1.75 0.21 -0.92 0.00 0.00 175.35 175.01 1xee s LYS 101 N -5.03 3.14 0.00 1.68 2.47 0.84 -2.28 119.74 120.56 1xee s LYS 101 Ca 0.60 -1.05 0.00 0.00 -1.56 0.00 0.00 55.97 53.96 1xee s LYS 101 Cb -0.15 -5.28 0.00 0.00 -1.46 0.00 0.00 37.83 30.94 1xee s LYS 101 CO 0.55 -2.92 0.00 0.41 0.16 0.00 0.00 175.35 173.56 1xee n GLY 102 N 6.38 0.87 3.35 5.54 0.00 -1.26 -5.03 105.19 115.04 1xee n GLY 102 Ca 0.41 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 1.31 -0.71 1.61 -1.05 -0.97 -5.08 118.70 113.82 1xee s GLU 103 Ca 0.00 -1.38 0.05 0.00 -0.15 0.00 0.00 54.97 53.49 1xee s GLU 103 Cb 0.00 -1.53 0.17 0.00 -0.44 0.00 0.00 34.13 32.33 1xee s GLU 103 CO 0.00 0.33 0.50 0.45 0.95 0.00 0.00 175.26 177.49 1xee n SER 104 N 0.52 3.02 -3.43 0.83 2.88 -1.26 -4.27 113.62 111.92 1xee n SER 104 Ca -0.15 -3.21 0.01 0.00 -1.33 0.00 0.00 58.87 54.19 1xee n SER 104 Cb 0.56 -0.76 -0.03 0.00 -0.75 0.00 0.00 64.21 63.23 1xee n SER 104 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1xee s LYS 105 N -1.48 0.48 -0.78 -1.46 2.47 -1.26 -5.06 119.74 112.64 1xee s LYS 105 Ca 0.25 1.09 -0.08 0.00 -1.56 0.00 0.00 55.97 55.67 1xee s LYS 105 Cb -0.04 0.64 -0.07 0.00 -1.46 0.00 0.00 37.83 36.91 1xee s LYS 105 CO -0.17 -0.28 1.95 0.43 0.16 0.00 0.00 175.35 177.44 1xee n SER 106 N 5.34 3.96 0.00 1.43 7.64 -1.26 -4.53 113.62 126.20 1xee n SER 106 Ca -0.08 -2.35 0.10 0.00 1.01 0.00 0.00 58.87 57.55 1xee n SER 106 Cb 0.51 -1.03 0.54 0.00 -1.01 0.00 0.00 64.21 63.22 1xee n SER 106 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1xee n SER 107 N 4.90 0.00 -3.70 6.43 3.41 -1.23 -4.72 113.62 118.72 1xee n SER 107 Ca 0.41 -0.25 -0.21 0.00 -0.26 0.00 0.00 58.87 58.56 1xee n SER 107 Cb 0.17 -0.18 -0.18 0.00 -0.26 0.00 0.00 64.21 63.76 1xee n SER 107 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1xee s TYR 108 N -2.35 0.27 -0.03 7.33 5.04 -1.20 -5.05 117.35 121.36 1xee s TYR 108 Ca 0.23 0.08 0.07 0.00 -2.44 0.00 0.00 57.07 55.02 1xee s TYR 108 Cb 0.14 -0.60 -0.02 0.00 0.35 0.00 0.00 41.96 41.83 1xee s TYR 108 CO 0.28 -0.26 -0.24 0.14 -1.34 0.00 0.00 175.55 174.13 1xee s VAL 109 N 2.10 1.90 -0.12 3.14 -7.23 -1.26 -0.23 120.40 118.71 1xee s VAL 109 Ca 0.05 -1.02 0.02 0.00 -1.81 0.00 0.00 61.98 59.22 1xee s VAL 109 Cb -0.12 -1.59 0.01 0.00 0.56 0.00 0.00 36.38 35.24 1xee s VAL 109 CO -0.04 0.54 -0.17 -0.63 -0.31 0.00 0.00 175.10 174.48 1xee s ILE 110 N -0.48 1.67 0.30 -0.62 1.01 -0.16 -5.01 121.20 117.90 1xee s ILE 110 Ca 0.07 -0.75 0.09 0.00 0.00 0.00 0.00 60.65 60.07 1xee s ILE 110 Cb -0.10 -1.50 -0.05 0.00 0.01 0.00 0.00 42.46 40.82 1xee s ILE 110 CO -0.00 0.47 0.02 0.54 0.00 0.00 0.00 174.94 175.97 1xee s ASN 111 N 0.91 4.41 0.30 3.58 4.22 -1.26 0.49 114.94 127.60 1xee s ASN 111 Ca -0.07 -0.79 0.02 0.00 -2.14 0.00 0.00 52.86 49.88 1xee s ASN 111 Cb -0.15 -0.70 -0.02 0.00 1.28 0.00 0.00 41.25 41.65 1xee s ASN 111 CO -0.01 -0.12 0.31 -0.83 -2.04 0.00 0.00 177.10 174.41 1xee s GLY 112 N -3.71 1.83 0.00 0.45 0.00 -0.29 -4.98 107.32 100.62 1xee s GLY 112 Ca 0.33 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 43.27 1xee s GLY 112 CO 0.20 -1.29 0.52 -1.05 0.00 0.00 0.00 173.10 171.48 1xee n PRO 113 N -0.52 0.85 -0.03 2.90 -0.02 -1.19 -4.19 135.00 132.80 1xee n PRO 113 Ca 0.04 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.48 1xee n PRO 113 Cb 0.63 -1.35 -0.03 0.00 -0.02 0.00 0.00 33.50 32.74 1xee n PRO 113 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1xee h GLY 114 N 4.24 -1.64 0.00 -1.23 0.00 -1.46 -3.47 103.07 99.51 1xee h GLY 114 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 47.33 48.10 1xee h GLY 114 CO 0.00 -0.56 0.00 1.17 0.00 0.00 0.00 176.54 177.15 1xee n LYS 115 N -3.37 0.00 -4.24 4.80 4.81 -1.26 -4.74 118.16 114.16 1xee n LYS 115 Ca -0.01 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.24 1xee n LYS 115 Cb 0.09 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.03 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 -0.61 1.36 -0.95 3.15 -1.32 -1.26 -5.02 115.64 110.99 1xee s THR 116 Ca 0.00 -1.65 0.09 0.00 -1.21 0.00 0.00 61.69 58.93 1xee s THR 116 Cb 0.00 -1.48 0.20 0.00 -1.51 0.00 0.00 72.50 69.71 1xee s THR 116 CO 0.00 -0.35 1.07 -3.20 -2.21 0.00 0.00 174.62 169.93 1xee n ASN 117 N 0.69 2.44 -1.09 8.08 4.05 -1.26 -3.12 115.26 125.04 1xee n ASN 117 Ca -0.17 -1.78 0.00 0.00 0.45 0.00 0.00 54.58 53.08 1xee n ASN 117 Cb 0.56 -0.13 0.00 0.00 1.23 0.00 0.00 39.78 41.44 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 0.44 2.88 -2.57 1.20 0.28 -1.25 -4.18 120.64 117.43 1xee n GLU 118 Ca 0.08 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.66 1xee n GLU 118 Cb 0.34 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.19 1xee n GLU 118 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1xee s TYR 119 N -0.04 3.44 -0.57 -1.84 1.51 -1.25 -0.81 117.35 117.79 1xee s TYR 119 Ca 0.00 1.45 0.14 0.00 -1.01 0.00 0.00 57.07 57.65 1xee s TYR 119 Cb 0.00 -3.29 0.42 0.00 -0.11 0.00 0.00 41.96 38.98 1xee s TYR 119 CO 0.00 -0.71 1.34 0.00 -1.11 0.00 0.00 175.55 175.07 1xee n ALA 120 N 4.54 2.58 -0.47 3.71 0.00 -1.26 -4.99 120.51 124.62 1xee n ALA 120 Ca 0.09 -1.70 0.00 0.00 0.00 0.00 0.00 53.44 51.83 1xee n ALA 120 Cb 0.48 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.36 1xee n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48