#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xee n SER 32 N 0.00 4.66 0.00 0.53 7.64 -1.26 -5.03 113.62 120.15 1xee n SER 32 Ca 0.00 -3.68 0.00 0.00 1.01 0.00 0.00 58.87 56.20 1xee n SER 32 Cb 0.00 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 1xee n SER 32 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xee n GLY 33 N -0.56 -1.92 0.29 0.23 0.00 -1.26 -5.07 105.19 96.89 1xee n GLY 33 Ca 0.40 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1xee n GLY 33 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xee n LEU 34 N 0.00 0.00 0.00 0.99 4.77 -1.26 -5.01 117.00 116.49 1xee n LEU 34 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1xee n LEU 34 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1xee n LEU 34 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.39 175.25 1xee n PRO 35 N 0.04 0.00 -2.40 3.23 -0.05 -1.26 -4.60 135.00 129.96 1xee n PRO 35 Ca 0.00 0.00 -0.36 0.00 -0.05 0.00 0.00 63.50 63.09 1xee n PRO 35 Cb 0.00 -0.17 0.01 0.00 -0.05 0.00 0.00 33.50 33.29 1xee n PRO 35 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 175.50 177.86 1xee n THR 36 N -1.11 4.00 -4.02 0.52 -1.04 -1.26 -4.64 114.28 106.71 1xee n THR 36 Ca 0.00 -5.12 -0.24 0.00 -2.04 0.00 0.00 64.05 56.65 1xee n THR 36 Cb 0.00 -1.36 -0.06 0.00 -1.82 0.00 0.00 70.33 67.09 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 -4.86 2.52 0.22 12.58 -4.23 -1.26 -4.58 115.64 116.02 1xee s THR 37 Ca 0.47 -1.64 -0.09 0.00 -1.18 0.00 0.00 61.69 59.25 1xee s THR 37 Cb 0.33 -2.99 0.17 0.00 1.34 0.00 0.00 72.50 71.36 1xee s THR 37 CO -0.25 -0.04 1.87 0.25 -0.54 0.00 0.00 174.62 175.91 1xee h LEU 38 N 1.39 0.85 -1.55 4.79 5.85 -1.39 0.27 115.31 125.50 1xee h LEU 38 Ca -0.43 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.25 1xee h LEU 38 Cb 1.25 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 1xee h LEU 38 CO 0.66 0.59 -0.15 1.23 -0.34 0.00 0.00 178.44 180.44 1xee h GLY 39 N 1.00 0.00 0.60 3.75 0.00 -1.22 0.26 103.07 107.46 1xee h GLY 39 Ca 0.31 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.54 1xee h GLY 39 CO -0.10 0.00 -1.57 1.17 0.00 0.00 0.00 176.54 176.05 1xee n LYS 40 N -3.43 0.63 -0.10 4.80 4.81 -0.65 -2.88 118.16 121.34 1xee n LYS 40 Ca -0.01 0.05 -0.11 0.00 -0.87 0.00 0.00 58.31 57.37 1xee n LYS 40 Cb 0.32 -1.70 -0.04 0.00 0.02 0.00 0.00 35.03 33.64 1xee n LYS 40 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1xee h LEU 41 N 0.00 0.59 -0.39 3.14 7.12 -0.23 -1.31 115.31 124.22 1xee h LEU 41 Ca -0.11 -0.36 0.07 0.00 0.13 0.00 0.00 57.88 57.60 1xee h LEU 41 Cb 1.33 -0.16 -0.09 0.00 -0.53 0.00 0.00 40.66 41.21 1xee h LEU 41 CO 0.02 0.81 -0.42 -0.78 -0.13 0.00 0.00 178.44 177.95 1xee h ASP 42 N 0.35 -1.38 -0.58 1.25 3.58 -0.62 0.49 116.42 119.52 1xee h ASP 42 Ca 0.08 0.21 0.09 0.00 0.42 0.00 0.00 57.03 57.83 1xee h ASP 42 Cb 0.56 0.61 -0.07 0.00 1.72 0.00 0.00 39.33 42.15 1xee h ASP 42 CO 0.03 -0.37 0.21 -0.08 -2.88 0.00 0.00 179.24 176.16 1xee h GLU 43 N -0.33 0.38 -0.45 0.28 4.81 -1.37 -0.57 114.58 117.33 1xee h GLU 43 Ca 0.14 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1xee h GLU 43 Cb 0.58 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1xee h GLU 43 CO -0.56 0.25 0.08 -0.09 -0.73 0.00 0.00 179.01 177.96 1xee h ARG 44 N 0.39 0.75 -0.46 1.92 2.43 -0.90 -2.45 114.38 116.06 1xee h ARG 44 Ca 0.29 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1xee h ARG 44 Cb 0.34 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 1xee h ARG 44 CO -0.29 0.77 0.15 -0.07 -1.51 0.00 0.00 179.97 179.02 1xee h LEU 45 N 0.62 0.66 -0.44 3.80 3.38 -0.45 -1.55 115.31 121.32 1xee h LEU 45 Ca 0.14 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1xee h LEU 45 Cb 0.38 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1xee h LEU 45 CO 0.01 0.68 0.16 0.03 0.09 0.00 0.00 178.44 179.41 1xee h ARG 46 N 0.61 0.67 -1.00 1.13 3.08 -1.14 -2.72 114.38 115.01 1xee h ARG 46 Ca 0.15 -0.13 0.07 0.00 0.07 0.00 0.00 59.98 60.14 1xee h ARG 46 Cb 0.25 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.13 1xee h ARG 46 CO -0.01 0.64 0.64 -0.91 -1.07 0.00 0.00 179.97 179.26 1xee h ASN 47 N 0.57 1.03 -0.69 7.04 2.35 -1.25 -1.16 115.58 123.47 1xee h ASN 47 Ca 0.14 0.01 0.12 0.00 -0.55 0.00 0.00 56.30 56.03 1xee h ASN 47 Cb 0.23 -0.21 -0.13 0.00 0.05 0.00 0.00 38.32 38.27 1xee h ASN 47 CO -0.01 0.65 -0.32 1.88 -1.65 0.00 0.00 177.43 177.98 1xee h TYR 48 N 1.16 -0.88 -0.26 1.19 0.05 -0.97 -2.01 116.97 115.25 1xee h TYR 48 Ca 0.44 0.08 -0.12 0.00 0.05 0.00 0.00 58.73 59.17 1xee h TYR 48 Cb 0.19 0.49 -0.01 0.00 1.01 0.00 0.00 36.73 38.41 1xee h TYR 48 CO -0.00 -0.38 -0.36 -0.07 -1.05 0.00 0.00 178.16 176.30 1xee h LEU 49 N -0.11 0.60 0.10 3.88 3.38 -1.29 -2.92 115.31 118.95 1xee h LEU 49 Ca 0.27 -0.25 -0.27 0.00 0.09 0.00 0.00 57.88 57.72 1xee h LEU 49 Cb 0.56 -0.17 0.03 0.00 0.09 0.00 0.00 40.66 41.17 1xee h LEU 49 CO -0.75 0.91 -1.13 0.11 0.09 0.00 0.00 178.44 177.67 1xee h LYS 50 N 0.49 0.59 0.00 1.13 1.79 -1.00 0.17 116.57 119.73 1xee h LYS 50 Ca 0.05 -0.77 0.00 0.00 -2.18 0.00 0.00 60.65 57.75 1xee h LYS 50 Cb 0.85 0.25 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 1xee h LYS 50 CO 0.07 1.34 0.00 1.17 -1.08 0.00 0.00 179.45 180.95 1xee n LYS 51 N -3.87 0.08 -0.07 3.15 4.81 -0.78 -4.22 118.16 117.26 1xee n LYS 51 Ca -0.13 0.40 -0.15 0.00 -0.87 0.00 0.00 58.31 57.56 1xee n LYS 51 Cb 0.93 -1.68 -0.06 0.00 0.02 0.00 0.00 35.03 34.25 1xee n LYS 51 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xee n GLY 52 N -0.43 -0.23 2.95 3.14 0.00 -0.36 -5.00 105.19 105.25 1xee n GLY 52 Ca 0.02 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.28 0.75 -1.19 2.61 -1.32 0.46 -5.02 115.64 109.65 1xee s THR 53 Ca -0.20 -0.27 0.06 0.00 -1.21 0.00 0.00 61.69 60.07 1xee s THR 53 Cb 0.07 -0.72 0.08 0.00 -1.51 0.00 0.00 72.50 70.42 1xee s THR 53 CO 0.28 0.27 1.13 1.17 -2.21 0.00 0.00 174.62 175.25 1xee n LYS 54 N 3.85 0.04 -2.51 7.08 4.81 -1.26 -3.67 118.16 126.48 1xee n LYS 54 Ca -0.24 0.32 -0.21 0.00 -0.87 0.00 0.00 58.31 57.31 1xee n LYS 54 Cb 0.52 -1.50 0.01 0.00 0.02 0.00 0.00 35.03 34.08 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 -1.40 3.74 0.19 3.14 4.13 -1.26 -4.69 115.26 119.10 1xee n ASN 55 Ca 0.02 -3.40 0.03 0.00 1.68 0.00 0.00 54.58 52.91 1xee n ASN 55 Cb 0.06 -0.47 0.36 0.00 -1.54 0.00 0.00 39.78 38.19 1xee n ASN 55 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1xee h SER 56 N 2.68 0.00 0.00 6.41 0.02 -1.87 -2.37 113.55 118.41 1xee h SER 56 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1xee h SER 56 Cb 1.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1xee h SER 56 CO 0.73 0.38 0.00 0.00 -1.14 0.00 0.00 176.83 176.80 1xee n ALA 57 N -2.44 2.29 1.61 3.77 0.00 -1.26 -2.46 120.51 122.03 1xee n ALA 57 Ca -0.02 -0.03 0.15 0.00 0.00 0.00 0.00 53.44 53.55 1xee n ALA 57 Cb 0.42 -1.07 0.80 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.59 0.68 -4.13 0.00 7.27 -0.89 -4.89 117.38 114.82 1xee n GLN 58 Ca 0.03 -0.05 -0.32 0.00 0.07 0.00 0.00 57.00 56.73 1xee n GLN 58 Cb 0.01 -1.50 -0.07 0.00 2.41 0.00 0.00 30.24 31.09 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 -2.36 3.21 -0.17 3.69 0.08 -1.03 -0.47 117.98 120.94 1xee s PHE 59 Ca 0.35 0.15 -0.06 0.00 0.12 0.00 0.00 56.93 57.49 1xee s PHE 59 Cb 0.21 -1.69 -0.23 0.00 -0.57 0.00 0.00 43.02 40.73 1xee s PHE 59 CO 0.43 0.52 0.19 -1.91 -0.10 0.00 0.00 175.22 174.35 1xee n GLU 60 N 1.07 0.71 -3.50 0.44 4.07 0.15 -4.35 120.64 119.23 1xee n GLU 60 Ca -0.12 0.26 -0.14 0.00 -0.06 0.00 0.00 57.16 57.09 1xee n GLU 60 Cb 0.52 -1.66 -0.04 0.00 -0.06 0.00 0.00 31.44 30.20 1xee n GLU 60 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 1xee s LYS 61 N -2.53 1.14 0.01 5.31 -2.85 -1.21 -1.10 119.74 118.51 1xee s LYS 61 Ca -0.27 -0.20 0.05 0.00 -1.00 0.00 0.00 55.97 54.55 1xee s LYS 61 Cb 0.07 0.53 -0.02 0.00 -2.06 0.00 0.00 37.83 36.35 1xee s LYS 61 CO 0.71 -0.44 -0.16 0.00 0.10 0.00 0.00 175.35 175.56 1xee s MET 62 N -2.65 1.24 -0.20 1.78 0.23 0.10 0.24 119.30 120.04 1xee s MET 62 Ca -0.04 -0.67 -0.01 0.00 -1.03 0.00 0.00 55.69 53.94 1xee s MET 62 Cb -0.01 -1.23 0.01 0.00 -1.53 0.00 0.00 34.83 32.07 1xee s MET 62 CO -0.03 0.33 -0.12 0.08 -2.03 0.00 0.00 175.02 173.24 1xee s VAL 63 N -0.54 2.70 -0.30 5.16 1.01 0.33 -0.29 120.40 128.47 1xee s VAL 63 Ca 0.05 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 61.21 1xee s VAL 63 Cb -0.07 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 1xee s VAL 63 CO 0.00 0.48 0.15 -0.63 0.00 0.00 0.00 175.10 175.10 1xee s ILE 64 N 1.38 4.64 -0.20 2.22 1.01 0.90 -1.04 121.20 130.12 1xee s ILE 64 Ca 0.05 -0.35 -0.09 0.00 0.00 0.00 0.00 60.65 60.27 1xee s ILE 64 Cb -0.14 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 1xee s ILE 64 CO -0.08 0.10 0.10 -0.76 0.00 0.00 0.00 174.94 174.30 1xee s LEU 65 N 1.63 3.99 0.00 2.97 2.01 0.65 -1.15 118.68 128.77 1xee s LEU 65 Ca 0.05 0.13 0.01 0.00 0.01 0.00 0.00 54.13 54.33 1xee s LEU 65 Cb -0.17 -2.03 -0.00 0.00 0.01 0.00 0.00 46.19 44.00 1xee s LEU 65 CO 0.06 0.16 0.04 0.35 1.01 0.00 0.00 176.35 177.97 1xee n THR 66 N 3.64 0.00 -1.24 5.49 -2.24 -0.28 -0.10 114.28 119.54 1xee n THR 66 Ca -0.16 -2.31 -0.30 0.00 -2.27 0.00 0.00 64.05 59.01 1xee n THR 66 Cb 0.52 0.56 0.12 0.00 -2.10 0.00 0.00 70.33 69.43 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 -3.69 1.63 0.00 -0.78 2.02 -0.87 -4.02 118.70 112.99 1xee s GLU 67 Ca 0.05 0.92 0.00 0.00 0.02 0.00 0.00 54.97 55.96 1xee s GLU 67 Cb 0.00 -1.84 0.00 0.00 0.10 0.00 0.00 34.13 32.39 1xee s GLU 67 CO 0.04 -2.01 0.00 0.09 0.02 0.00 0.00 175.26 173.40 1xee n ASN 68 N -3.74 0.00 -2.01 -0.19 3.02 0.91 -3.04 115.26 110.20 1xee n ASN 68 Ca 0.08 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.61 1xee n ASN 68 Cb 0.55 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.73 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 0.00 0.24 -3.11 3.52 3.00 -1.25 -2.52 118.16 118.04 1xee n LYS 69 Ca 0.00 -0.38 -0.40 0.00 -0.00 0.00 0.00 58.31 57.53 1xee n LYS 69 Cb 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 35.03 35.02 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 -0.21 2.07 -0.32 3.14 0.00 -1.17 -5.01 107.32 105.83 1xee s GLY 70 Ca 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 44.72 44.49 1xee s GLY 70 CO -0.02 1.32 0.11 -0.47 0.00 0.00 0.00 173.10 174.04 1xee s TYR 71 N 1.88 1.69 -0.10 1.90 6.14 -1.25 -1.12 117.35 126.48 1xee s TYR 71 Ca 0.29 -1.75 0.02 0.00 0.64 0.00 0.00 57.07 56.27 1xee s TYR 71 Cb -0.16 -1.70 -0.01 0.00 0.42 0.00 0.00 41.96 40.51 1xee s TYR 71 CO 0.11 -0.87 -0.16 0.71 0.64 0.00 0.00 175.55 175.97 1xee s TYR 72 N 1.56 2.71 -0.29 4.97 1.51 -0.30 -4.96 117.35 122.55 1xee s TYR 72 Ca 0.10 -0.65 -0.08 0.00 -1.01 0.00 0.00 57.07 55.44 1xee s TYR 72 Cb -0.18 -1.76 -0.01 0.00 -0.11 0.00 0.00 41.96 39.91 1xee s TYR 72 CO -0.24 -0.19 0.10 0.99 -1.11 0.00 0.00 175.55 175.11 1xee s THR 73 N 0.12 4.28 -0.25 -0.71 2.01 -1.26 -0.07 115.64 119.75 1xee s THR 73 Ca -0.08 -0.46 0.01 0.00 0.31 0.00 0.00 61.69 61.46 1xee s THR 73 Cb -0.15 -3.14 0.07 0.00 0.01 0.00 0.00 72.50 69.28 1xee s THR 73 CO 0.05 0.14 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.41 1xee s VAL 74 N 1.57 1.50 -0.56 3.82 1.01 0.60 -4.97 120.40 123.36 1xee s VAL 74 Ca 0.04 -1.34 -0.28 0.00 0.00 0.00 0.00 61.98 60.40 1xee s VAL 74 Cb -0.17 -1.85 0.03 0.00 0.00 0.00 0.00 36.38 34.40 1xee s VAL 74 CO 0.04 -0.23 1.18 -0.31 0.00 0.00 0.00 175.10 175.79 1xee s TYR 75 N 1.38 2.64 0.53 5.22 1.51 -1.26 0.00 117.35 127.38 1xee s TYR 75 Ca -0.02 0.46 0.48 0.00 -1.01 0.00 0.00 57.07 56.98 1xee s TYR 75 Cb -0.19 -4.50 1.67 0.00 -0.11 0.00 0.00 41.96 38.83 1xee s TYR 75 CO -0.09 -1.54 1.50 1.28 -1.11 0.00 0.00 175.55 175.60 1xee n LEU 76 N 8.35 0.01 0.17 -1.29 4.77 -0.25 -2.42 117.00 126.33 1xee n LEU 76 Ca 0.09 0.97 0.12 0.00 -0.03 0.00 0.00 56.01 57.17 1xee n LEU 76 Cb 0.49 -0.49 0.22 0.00 -2.33 0.00 0.00 43.42 41.32 1xee n LEU 76 CO 0.72 -0.98 0.75 -1.13 -1.33 0.00 0.00 177.39 175.41 1xee h ASN 77 N 0.00 0.00 -4.20 -1.43 -1.24 -1.70 -3.44 115.58 103.57 1xee h ASN 77 Ca 0.91 -0.01 -0.69 0.00 0.71 0.00 0.00 56.30 57.21 1xee h ASN 77 Cb 3.62 0.00 -0.25 0.00 0.73 0.00 0.00 38.32 42.42 1xee h ASN 77 CO -0.03 0.01 -0.85 0.42 -1.29 0.00 0.00 177.43 175.69 1xee s THR 78 N -3.19 2.43 0.15 -3.57 -4.23 -1.01 -5.11 115.64 101.10 1xee s THR 78 Ca 0.07 -1.24 -0.30 0.00 -1.18 0.00 0.00 61.69 59.04 1xee s THR 78 Cb 0.08 -1.96 -0.08 0.00 1.34 0.00 0.00 72.50 71.88 1xee s THR 78 CO 0.66 0.40 1.28 -2.84 -0.54 0.00 0.00 174.62 173.58 1xee s PRO 79 N -1.20 4.41 0.06 3.99 0.02 -1.26 -4.69 135.00 136.32 1xee s PRO 79 Ca 0.13 1.96 -0.30 0.00 0.02 0.00 0.00 61.00 62.80 1xee s PRO 79 Cb -0.10 -3.24 -0.09 0.00 0.02 0.00 0.00 34.50 31.09 1xee s PRO 79 CO 0.03 -0.25 1.80 -1.17 -0.33 0.00 0.00 177.00 177.07 1xee s LEU 80 N 0.33 4.39 0.42 -5.54 2.96 -1.26 -4.93 118.68 115.05 1xee s LEU 80 Ca 0.58 2.58 -0.25 0.00 -0.22 0.00 0.00 54.13 56.82 1xee s LEU 80 Cb -0.34 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 42.70 1xee s LEU 80 CO 0.34 -0.98 1.29 0.00 -1.32 0.00 0.00 176.35 175.69 1xee n ALA 81 N 6.42 1.38 0.26 5.97 0.00 -1.26 -4.75 120.51 128.53 1xee n ALA 81 Ca 0.18 0.26 0.12 0.00 0.00 0.00 0.00 53.44 54.00 1xee n ALA 81 Cb 0.40 -2.28 0.69 0.00 0.00 0.00 0.00 19.45 18.26 1xee n ALA 81 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1xee h GLU 82 N 2.11 0.00 -0.49 0.00 4.11 -1.99 0.12 114.58 118.44 1xee h GLU 82 Ca -0.48 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 58.82 1xee h GLU 82 Cb 1.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 1xee h GLU 82 CO 0.60 0.13 -0.20 -0.44 0.07 0.00 0.00 179.01 179.17 1xee h ASP 83 N 0.00 1.03 1.66 3.06 3.32 -2.00 -2.59 116.42 120.90 1xee h ASP 83 Ca -0.00 -0.39 -0.00 0.00 0.02 0.00 0.00 57.03 56.66 1xee h ASP 83 Cb 0.39 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 1xee h ASP 83 CO 0.02 1.19 -0.34 0.03 -1.72 0.00 0.00 179.24 178.42 1xee h ARG 84 N 0.87 0.00 0.00 3.56 3.08 -1.37 -2.95 114.38 117.58 1xee h ARG 84 Ca 0.11 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 1xee h ARG 84 Cb 0.79 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.83 1xee h ARG 84 CO 0.07 0.00 -0.10 0.87 -1.07 0.00 0.00 179.97 179.74 1xee h LYS 85 N 0.00 0.00 -0.33 0.04 1.57 -0.88 -2.31 116.57 114.66 1xee h LYS 85 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xee h LYS 85 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1xee h LYS 85 CO 0.00 0.10 0.00 -1.71 -0.57 0.00 0.00 179.45 177.27 1xee n ASN 86 N -3.47 3.03 -4.73 0.86 2.85 -1.12 -1.06 115.26 111.63 1xee n ASN 86 Ca -0.01 -1.89 -0.42 0.00 -0.11 0.00 0.00 54.58 52.15 1xee n ASN 86 Cb 0.24 -0.22 -0.03 0.00 1.24 0.00 0.00 39.78 41.01 1xee n ASN 86 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1xee s VAL 87 N -1.15 3.89 0.11 3.44 1.01 -0.87 -4.89 120.40 121.95 1xee s VAL 87 Ca 0.29 1.48 -0.17 0.00 0.00 0.00 0.00 61.98 63.59 1xee s VAL 87 Cb 0.17 -3.95 -0.07 0.00 0.00 0.00 0.00 36.38 32.53 1xee s VAL 87 CO 0.23 0.18 0.56 -1.61 0.00 0.00 0.00 175.10 174.46 1xee s GLU 88 N 0.36 4.09 0.65 2.72 2.02 -1.26 -1.54 118.70 125.73 1xee s GLU 88 Ca 0.55 0.61 -0.11 0.00 0.02 0.00 0.00 54.97 56.04 1xee s GLU 88 Cb -0.30 -3.07 0.15 0.00 0.10 0.00 0.00 34.13 31.01 1xee s GLU 88 CO 0.32 0.55 0.82 1.28 0.02 0.00 0.00 175.26 178.26 1xee n LEU 89 N 1.23 0.00 -0.30 1.80 7.99 -1.26 -4.96 117.00 121.50 1xee n LEU 89 Ca -0.08 -0.90 0.08 0.00 -0.01 0.00 0.00 56.01 55.11 1xee n LEU 89 Cb 0.51 -0.65 0.15 0.00 -0.11 0.00 0.00 43.42 43.33 1xee n LEU 89 CO 0.42 -1.20 0.47 0.18 -1.51 0.00 0.00 177.39 175.75 1xee n LEU 90 N 0.00 2.33 0.00 2.23 4.77 -1.26 -4.95 117.00 120.13 1xee n LEU 90 Ca 0.10 -3.24 0.00 0.00 -0.03 0.00 0.00 56.01 52.84 1xee n LEU 90 Cb 0.37 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1xee n LEU 90 CO 0.27 0.92 0.00 0.61 -1.33 0.00 0.00 177.39 177.85 1xee n GLY 91 N -1.23 1.17 3.81 -0.72 0.00 -1.26 -4.38 105.19 102.57 1xee n GLY 91 Ca 0.16 -1.71 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.49 4.26 -0.15 1.61 1.02 -1.26 -4.52 119.74 119.21 1xee s LYS 92 Ca 0.00 1.23 -0.29 0.00 0.02 0.00 0.00 55.97 56.92 1xee s LYS 92 Cb 0.00 -2.34 -0.03 0.00 -0.52 0.00 0.00 37.83 34.94 1xee s LYS 92 CO 0.00 -0.01 1.54 1.41 -0.92 0.00 0.00 175.35 177.36 1xee s MET 93 N -2.87 4.03 -0.18 1.68 -2.45 -1.26 -2.04 119.30 116.21 1xee s MET 93 Ca 0.60 1.82 -0.19 0.00 -1.25 0.00 0.00 55.69 56.67 1xee s MET 93 Cb -0.13 -3.95 -0.16 0.00 1.25 0.00 0.00 34.83 31.84 1xee s MET 93 CO 0.17 -1.00 0.19 -0.92 1.05 0.00 0.00 175.02 174.51 1xee h TYR 94 N 9.68 0.00 -2.78 4.11 3.20 -0.76 0.69 116.97 131.12 1xee h TYR 94 Ca -0.34 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.41 1xee h TYR 94 Cb 1.15 0.00 -0.25 0.00 1.54 0.00 0.00 36.73 39.17 1xee h TYR 94 CO 0.88 1.04 -0.27 0.15 -1.64 0.00 0.00 178.16 178.32 1xee s LYS 95 N -2.28 0.45 -0.13 1.82 1.02 -1.00 -1.10 119.74 118.52 1xee s LYS 95 Ca -0.23 0.57 0.02 0.00 0.02 0.00 0.00 55.97 56.35 1xee s LYS 95 Cb 0.04 0.19 0.01 0.00 -0.52 0.00 0.00 37.83 37.54 1xee s LYS 95 CO 0.50 -0.07 -0.21 0.99 -0.92 0.00 0.00 175.35 175.64 1xee s THR 96 N 0.36 2.17 -0.23 2.17 2.01 0.17 -0.26 115.64 122.04 1xee s THR 96 Ca -0.01 -0.95 -0.05 0.00 0.31 0.00 0.00 61.69 60.99 1xee s THR 96 Cb -0.03 -1.87 -0.01 0.00 0.01 0.00 0.00 72.50 70.59 1xee s THR 96 CO -0.01 0.55 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.14 1xee s TYR 97 N 0.69 2.99 -0.32 4.92 2.02 -0.20 -1.52 117.35 125.93 1xee s TYR 97 Ca -0.10 -0.79 -0.12 0.00 -0.37 0.00 0.00 57.07 55.69 1xee s TYR 97 Cb -0.16 -2.14 -0.02 0.00 -0.40 0.00 0.00 41.96 39.24 1xee s TYR 97 CO 0.01 -0.49 0.22 -0.06 -1.57 0.00 0.00 175.55 173.66 1xee s PHE 98 N 1.50 3.22 0.10 2.71 0.08 0.60 -0.51 117.98 125.68 1xee s PHE 98 Ca 0.06 -0.19 -0.12 0.00 0.12 0.00 0.00 56.93 56.80 1xee s PHE 98 Cb -0.14 -2.44 -0.06 0.00 -0.57 0.00 0.00 43.02 39.80 1xee s PHE 98 CO -0.01 -0.33 0.45 -0.06 -0.10 0.00 0.00 175.22 175.17 1xee s PHE 99 N 1.72 3.60 0.73 0.36 0.40 0.14 -0.50 117.98 124.43 1xee s PHE 99 Ca 0.06 0.90 -0.11 0.00 -0.60 0.00 0.00 56.93 57.17 1xee s PHE 99 Cb -0.17 -2.24 0.03 0.00 0.51 0.00 0.00 43.02 41.15 1xee s PHE 99 CO 0.10 0.50 1.10 0.15 0.70 0.00 0.00 175.22 177.76 1xee s LYS 100 N -1.87 2.62 -0.53 0.44 1.02 -1.23 0.31 119.74 120.50 1xee s LYS 100 Ca 0.34 0.54 -0.28 0.00 0.02 0.00 0.00 55.97 56.59 1xee s LYS 100 Cb -0.14 -1.99 -0.09 0.00 -0.52 0.00 0.00 37.83 35.09 1xee s LYS 100 CO 0.18 -1.22 2.43 1.17 -0.92 0.00 0.00 175.35 176.98 1xee n LYS 101 N -3.15 0.99 0.00 1.68 3.00 0.38 -0.98 118.16 120.09 1xee n LYS 101 Ca 0.07 0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 1xee n LYS 101 Cb 0.57 -3.08 0.00 0.00 0.00 0.00 0.00 35.03 32.51 1xee n LYS 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1xee n GLY 102 N 6.09 2.29 3.93 3.14 0.00 -1.26 -4.86 105.19 114.51 1xee n GLY 102 Ca 0.41 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.68 3.52 -0.00 1.61 0.41 -0.15 -5.01 118.70 118.39 1xee s GLU 103 Ca 0.00 -0.10 0.07 0.00 -0.41 0.00 0.00 54.97 54.53 1xee s GLU 103 Cb 0.00 -2.55 -0.09 0.00 -1.78 0.00 0.00 34.13 29.72 1xee s GLU 103 CO 0.00 0.01 0.29 0.45 -0.49 0.00 0.00 175.26 175.52 1xee n SER 104 N -1.93 0.80 -4.63 -0.19 2.88 -1.26 -4.65 113.62 104.63 1xee n SER 104 Ca -0.02 -0.57 -0.35 0.00 -1.33 0.00 0.00 58.87 56.60 1xee n SER 104 Cb 0.56 1.05 -0.10 0.00 -0.75 0.00 0.00 64.21 64.97 1xee n SER 104 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1xee s LYS 105 N -1.82 3.18 0.09 -1.46 -0.14 -1.26 -5.06 119.74 113.26 1xee s LYS 105 Ca 0.02 -0.44 -0.30 0.00 -1.36 0.00 0.00 55.97 53.89 1xee s LYS 105 Cb 0.05 -2.83 -0.05 0.00 -1.68 0.00 0.00 37.83 33.32 1xee s LYS 105 CO 0.30 0.57 1.05 -1.54 -0.76 0.00 0.00 175.35 174.98 1xee s SER 106 N -0.53 7.31 0.00 2.83 1.04 -1.26 -3.56 113.70 119.53 1xee s SER 106 Ca 0.09 1.88 0.17 0.00 0.48 0.00 0.00 55.95 58.57 1xee s SER 106 Cb -0.12 -2.59 0.15 0.00 0.10 0.00 0.00 66.02 63.57 1xee s SER 106 CO 0.02 -0.24 1.05 -0.24 0.98 0.00 0.00 173.24 174.81 1xee n SER 107 N 3.23 2.46 -3.67 7.02 2.88 0.34 -4.94 113.62 120.93 1xee n SER 107 Ca 0.05 -1.72 -0.12 0.00 -1.33 0.00 0.00 58.87 55.75 1xee n SER 107 Cb 0.48 -0.02 -0.09 0.00 -0.75 0.00 0.00 64.21 63.84 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 -1.38 -0.71 0.01 0.66 6.14 -1.14 -5.02 117.35 115.90 1xee s TYR 108 Ca 0.21 1.62 0.03 0.00 0.64 0.00 0.00 57.07 59.57 1xee s TYR 108 Cb 0.14 0.31 -0.01 0.00 0.42 0.00 0.00 41.96 42.82 1xee s TYR 108 CO 0.21 -0.36 -0.11 0.54 0.64 0.00 0.00 175.55 176.48 1xee s VAL 109 N 0.75 0.85 0.03 3.14 0.11 -1.26 -0.29 120.40 123.73 1xee s VAL 109 Ca -0.04 -0.66 0.03 0.00 -2.93 0.00 0.00 61.98 58.38 1xee s VAL 109 Cb -0.05 -0.75 -0.02 0.00 -1.53 0.00 0.00 36.38 34.03 1xee s VAL 109 CO -0.05 0.09 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.08 1xee s ILE 110 N -0.54 0.77 -0.03 7.04 1.01 -0.58 -4.99 121.20 123.89 1xee s ILE 110 Ca 0.02 -0.90 0.05 0.00 0.00 0.00 0.00 60.65 59.82 1xee s ILE 110 Cb -0.06 -0.74 -0.01 0.00 0.01 0.00 0.00 42.46 41.67 1xee s ILE 110 CO 0.00 -0.13 -0.16 0.54 0.00 0.00 0.00 174.94 175.20 1xee s ASN 111 N -1.14 1.97 0.00 3.58 2.20 -1.26 0.46 114.94 120.75 1xee s ASN 111 Ca -0.03 -0.31 0.00 0.00 -0.94 0.00 0.00 52.86 51.58 1xee s ASN 111 Cb -0.08 -0.39 0.00 0.00 -2.00 0.00 0.00 41.25 38.78 1xee s ASN 111 CO 0.01 0.17 0.00 0.61 -2.94 0.00 0.00 177.10 174.95 1xee n GLY 112 N 2.93 4.63 0.01 0.45 0.00 -0.26 -4.97 105.19 107.99 1xee n GLY 112 Ca -0.16 -2.02 0.08 0.00 0.00 0.00 0.00 46.02 43.92 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 0.00 0.02 -1.93 1.61 -0.04 -1.03 -4.77 135.00 128.86 1xee n PRO 113 Ca 0.00 0.23 -0.42 0.00 -0.04 0.00 0.00 63.50 63.27 1xee n PRO 113 Cb 0.00 -1.54 -0.03 0.00 -0.04 0.00 0.00 33.50 31.89 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 -3.06 1.55 0.11 0.55 0.00 0.21 -4.89 107.32 101.79 1xee s GLY 114 Ca 0.08 1.37 0.08 0.00 0.00 0.00 0.00 44.72 46.25 1xee s GLY 114 CO 0.32 2.65 1.24 1.70 0.00 0.00 0.00 173.10 179.00 1xee h LYS 115 N 6.85 0.00 -3.13 2.90 3.64 -1.86 -3.42 116.57 121.55 1xee h LYS 115 Ca -0.43 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.90 1xee h LYS 115 Cb 1.20 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.88 1xee h LYS 115 CO 0.92 0.94 -0.04 -0.08 -2.27 0.00 0.00 179.45 178.92 1xee s THR 116 N -2.71 0.05 -0.85 1.00 -1.32 -1.26 -5.03 115.64 105.52 1xee s THR 116 Ca 0.01 -0.43 0.26 0.00 -1.21 0.00 0.00 61.69 60.32 1xee s THR 116 Cb 0.10 -1.05 0.15 0.00 -1.51 0.00 0.00 72.50 70.18 1xee s THR 116 CO 0.82 -0.24 1.62 -3.20 -2.21 0.00 0.00 174.62 171.41 1xee n ASN 117 N 0.10 0.48 -3.78 8.08 4.05 -1.26 -3.28 115.26 119.65 1xee n ASN 117 Ca -0.17 0.24 -0.15 0.00 0.45 0.00 0.00 54.58 54.95 1xee n ASN 117 Cb 0.62 -0.22 0.07 0.00 1.23 0.00 0.00 39.78 41.48 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 -1.82 0.34 -1.62 1.20 1.02 -1.25 -3.89 120.64 114.62 1xee n GLU 118 Ca 0.05 -1.90 -0.47 0.00 -0.02 0.00 0.00 57.16 54.82 1xee n GLU 118 Cb 0.38 -0.35 -0.04 0.00 -0.02 0.00 0.00 31.44 31.42 1xee n GLU 118 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1xee n TYR 119 N -2.19 1.67 -1.09 -0.32 4.01 -1.05 -0.06 117.16 118.13 1xee n TYR 119 Ca 0.11 0.57 -0.22 0.00 -0.16 0.00 0.00 57.90 58.20 1xee n TYR 119 Cb 0.39 -2.36 0.02 0.00 -0.31 0.00 0.00 39.34 37.09 1xee n TYR 119 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1xee n ALA 120 N 1.82 5.57 0.75 -0.72 0.00 -1.26 -4.66 120.51 122.01 1xee n ALA 120 Ca 0.14 -2.22 0.09 0.00 0.00 0.00 0.00 53.44 51.46 1xee n ALA 120 Cb 0.27 -1.59 0.08 0.00 0.00 0.00 0.00 19.45 18.20 1xee n ALA 120 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16