#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xee s SER 32 N 0.00 6.34 0.92 6.41 0.01 -1.26 -4.81 113.70 121.31 1xee s SER 32 Ca 0.00 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 56.89 1xee s SER 32 Cb 0.00 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.84 1xee s SER 32 CO 0.00 -1.07 0.00 0.61 0.41 0.00 0.00 173.24 173.19 1xee n GLY 33 N 5.08 1.84 2.46 3.44 0.00 -1.26 -5.01 105.19 111.75 1xee n GLY 33 Ca 0.01 -0.56 -0.19 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.69 -1.38 0.99 4.32 -1.26 -4.90 117.00 113.09 1xee n LEU 34 Ca 0.00 -0.02 -0.07 0.00 -0.02 0.00 0.00 56.01 55.90 1xee n LEU 34 Cb 0.00 -0.98 0.06 0.00 -1.62 0.00 0.00 43.42 40.88 1xee n LEU 34 CO 0.00 -0.21 0.74 -0.81 -1.22 0.00 0.00 177.39 175.90 1xee n PRO 35 N 0.16 1.39 -2.79 3.23 -0.04 -1.26 -4.77 135.00 130.91 1xee n PRO 35 Ca -0.04 -0.93 -0.43 0.00 -0.04 0.00 0.00 63.50 62.06 1xee n PRO 35 Cb 0.40 -1.36 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 1xee n PRO 35 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1xee s THR 36 N -1.02 4.40 0.53 0.52 2.01 -1.26 -4.74 115.64 116.08 1xee s THR 36 Ca 0.18 -1.10 0.03 0.00 0.31 0.00 0.00 61.69 61.10 1xee s THR 36 Cb 0.15 -4.86 0.02 0.00 0.01 0.00 0.00 72.50 67.82 1xee s THR 36 CO 0.03 -1.65 0.21 0.42 -0.69 0.00 0.00 174.62 172.95 1xee s THR 37 N 3.67 1.39 0.26 -0.82 -4.23 -1.26 -4.71 115.64 109.93 1xee s THR 37 Ca 0.35 -1.74 -0.02 0.00 -1.18 0.00 0.00 61.69 59.11 1xee s THR 37 Cb -0.05 -2.13 0.24 0.00 1.34 0.00 0.00 72.50 71.90 1xee s THR 37 CO -0.06 0.00 1.75 0.25 -0.54 0.00 0.00 174.62 176.02 1xee h LEU 38 N 1.03 0.47 -0.86 4.79 5.85 -1.22 0.26 115.31 125.63 1xee h LEU 38 Ca -0.40 0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.51 1xee h LEU 38 Cb 1.31 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 42.29 1xee h LEU 38 CO 0.65 0.19 0.50 1.23 -0.34 0.00 0.00 178.44 180.67 1xee h GLY 39 N 0.58 1.35 1.65 3.75 0.00 -0.97 0.16 103.07 109.59 1xee h GLY 39 Ca 0.45 -0.33 -0.27 0.00 0.00 0.00 0.00 47.33 47.18 1xee h GLY 39 CO -0.37 0.14 -1.22 0.50 0.00 0.00 0.00 176.54 175.58 1xee h LYS 40 N 0.83 0.26 -0.02 4.80 1.79 -1.08 -1.61 116.57 121.54 1xee h LYS 40 Ca 0.42 -0.44 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1xee h LYS 40 Cb 0.38 0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 31.19 1xee h LYS 40 CO -0.25 1.21 0.01 1.25 -1.08 0.00 0.00 179.45 180.58 1xee h LEU 41 N 0.07 0.02 -0.49 2.94 5.85 -0.41 -0.63 115.31 122.67 1xee h LEU 41 Ca -0.13 -0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.53 1xee h LEU 41 Cb 1.95 -0.01 -0.10 0.00 0.37 0.00 0.00 40.66 42.88 1xee h LEU 41 CO 0.20 0.17 -0.28 -0.78 -0.34 0.00 0.00 178.44 177.41 1xee h ASP 42 N -0.13 -0.96 -0.63 1.25 3.58 -0.64 0.30 116.42 119.18 1xee h ASP 42 Ca 0.01 0.20 0.13 0.00 0.42 0.00 0.00 57.03 57.78 1xee h ASP 42 Cb 0.16 0.49 -0.12 0.00 1.72 0.00 0.00 39.33 41.57 1xee h ASP 42 CO -0.00 -0.29 -0.17 -0.08 -2.88 0.00 0.00 179.24 175.82 1xee h GLU 43 N -0.17 -0.01 -0.47 0.28 4.81 -1.14 -0.15 114.58 117.73 1xee h GLU 43 Ca 0.21 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 1xee h GLU 43 Cb 0.52 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1xee h GLU 43 CO -0.59 -0.01 0.25 0.00 -0.73 0.00 0.00 179.01 177.93 1xee h ARG 44 N -0.01 0.66 -0.21 1.92 2.47 -0.29 -1.30 114.38 117.61 1xee h ARG 44 Ca 0.30 -0.08 -0.02 0.00 -1.26 0.00 0.00 59.98 58.92 1xee h ARG 44 Cb 0.47 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 1xee h ARG 44 CO -0.66 0.53 0.05 -0.07 0.56 0.00 0.00 179.97 180.39 1xee h LEU 45 N 0.61 0.32 -0.47 3.04 3.38 -0.06 0.22 115.31 122.34 1xee h LEU 45 Ca 0.16 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1xee h LEU 45 Cb 0.07 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1xee h LEU 45 CO -0.02 0.46 0.09 0.03 0.09 0.00 0.00 178.44 179.09 1xee h ARG 46 N 0.16 0.77 -0.39 1.13 3.08 -0.99 -2.56 114.38 115.58 1xee h ARG 46 Ca 0.07 -0.20 0.02 0.00 0.07 0.00 0.00 59.98 59.93 1xee h ARG 46 Cb 0.26 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 1xee h ARG 46 CO 0.00 0.77 0.23 -0.91 -1.07 0.00 0.00 179.97 178.99 1xee h ASN 47 N 0.64 0.38 -0.82 7.04 2.35 -1.04 -2.61 115.58 121.52 1xee h ASN 47 Ca 0.15 0.00 0.20 0.00 -0.55 0.00 0.00 56.30 56.10 1xee h ASN 47 Cb 0.36 -0.08 -0.14 0.00 0.05 0.00 0.00 38.32 38.51 1xee h ASN 47 CO 0.01 0.27 0.09 1.88 -1.65 0.00 0.00 177.43 178.03 1xee h TYR 48 N 0.47 0.09 -0.82 1.19 0.05 -0.30 -1.72 116.97 115.93 1xee h TYR 48 Ca 0.15 0.06 -0.02 0.00 0.05 0.00 0.00 58.73 58.96 1xee h TYR 48 Cb 0.00 0.09 -0.04 0.00 1.01 0.00 0.00 36.73 37.79 1xee h TYR 48 CO -0.07 -0.25 0.42 -0.07 -1.05 0.00 0.00 178.16 177.14 1xee h LEU 49 N 0.14 1.06 -0.14 3.88 3.38 -1.22 -3.16 115.31 119.25 1xee h LEU 49 Ca 0.48 -0.12 -0.23 0.00 0.09 0.00 0.00 57.88 58.09 1xee h LEU 49 Cb 0.91 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1xee h LEU 49 CO -0.69 0.88 -0.98 0.11 0.09 0.00 0.00 178.44 177.86 1xee h LYS 50 N 1.16 0.43 -0.13 1.13 1.79 -1.03 0.14 116.57 120.05 1xee h LYS 50 Ca 0.29 -0.48 0.04 0.00 -2.18 0.00 0.00 60.65 58.32 1xee h LYS 50 Cb 0.09 0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 1xee h LYS 50 CO -0.04 1.14 0.66 1.63 -1.08 0.00 0.00 179.45 181.75 1xee n LYS 51 N -3.74 0.02 0.00 3.15 5.02 -0.71 -4.48 118.16 117.42 1xee n LYS 51 Ca -0.07 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 1xee n LYS 51 Cb 0.85 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 34.26 1xee n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xee n GLY 52 N -1.17 0.10 3.55 0.72 0.00 -1.04 -5.10 105.19 102.25 1xee n GLY 52 Ca 0.03 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1xee n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xee s THR 53 N -0.86 4.26 -1.21 2.61 2.01 0.45 -4.92 115.64 117.98 1xee s THR 53 Ca 0.00 0.60 0.29 0.00 0.31 0.00 0.00 61.69 62.90 1xee s THR 53 Cb 0.00 -4.59 0.35 0.00 0.01 0.00 0.00 72.50 68.26 1xee s THR 53 CO 0.00 -1.15 1.93 0.29 -0.69 0.00 0.00 174.62 175.00 1xee n LYS 54 N 7.78 0.22 -0.67 4.92 4.01 -1.26 -4.01 118.16 129.14 1xee n LYS 54 Ca 0.05 -0.02 0.00 0.00 -0.51 0.00 0.00 58.31 57.83 1xee n LYS 54 Cb 0.48 -1.50 0.22 0.00 -0.51 0.00 0.00 35.03 33.73 1xee n LYS 54 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1xee n ASN 55 N -1.37 3.13 0.26 4.39 4.13 -1.26 -4.28 115.26 120.26 1xee n ASN 55 Ca 0.10 -3.44 0.18 0.00 1.68 0.00 0.00 54.58 53.10 1xee n ASN 55 Cb 0.30 -0.61 0.88 0.00 -1.54 0.00 0.00 39.78 38.81 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 1.32 0.00 0.62 6.41 0.02 -1.94 -0.75 113.55 119.24 1xee h SER 56 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1xee h SER 56 Cb 1.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.17 1xee h SER 56 CO 0.35 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.04 1xee n ALA 57 N -2.14 1.69 0.61 3.77 0.00 -1.26 -1.56 120.51 121.62 1xee n ALA 57 Ca 0.00 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.58 1xee n ALA 57 Cb 0.34 -1.31 0.28 0.00 0.00 0.00 0.00 19.45 18.77 1xee n ALA 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1xee n GLN 58 N -1.83 0.27 -3.69 0.00 1.13 -0.29 -4.78 117.38 108.20 1xee n GLN 58 Ca 0.03 0.14 -0.37 0.00 -1.94 0.00 0.00 57.00 54.86 1xee n GLN 58 Cb 0.20 -1.73 -0.10 0.00 0.11 0.00 0.00 30.24 28.72 1xee n GLN 58 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1xee s PHE 59 N -3.13 3.24 -0.09 1.08 0.08 -0.60 -0.70 117.98 117.86 1xee s PHE 59 Ca 0.08 0.08 0.10 0.00 0.12 0.00 0.00 56.93 57.32 1xee s PHE 59 Cb 0.13 -2.28 -0.24 0.00 -0.57 0.00 0.00 43.02 40.07 1xee s PHE 59 CO 0.66 -0.06 0.47 -1.91 -0.10 0.00 0.00 175.22 174.28 1xee n GLU 60 N 4.54 0.66 -3.55 0.44 2.13 -0.24 -4.79 120.64 119.83 1xee n GLU 60 Ca -0.15 0.23 -0.17 0.00 0.66 0.00 0.00 57.16 57.72 1xee n GLU 60 Cb 0.52 -1.72 -0.06 0.00 0.27 0.00 0.00 31.44 30.45 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 -2.57 1.02 0.02 5.31 -2.85 -1.18 -1.72 119.74 117.76 1xee s LYS 61 Ca -0.10 0.19 0.04 0.00 -1.00 0.00 0.00 55.97 55.10 1xee s LYS 61 Cb 0.07 0.48 -0.02 0.00 -2.06 0.00 0.00 37.83 36.30 1xee s LYS 61 CO 0.81 -0.32 -0.12 0.00 0.10 0.00 0.00 175.35 175.83 1xee s MET 62 N -1.26 0.82 -0.08 1.78 0.23 0.89 0.67 119.30 122.35 1xee s MET 62 Ca -0.11 -0.62 0.02 0.00 -1.03 0.00 0.00 55.69 53.96 1xee s MET 62 Cb -0.01 -0.79 0.01 0.00 -1.53 0.00 0.00 34.83 32.52 1xee s MET 62 CO 0.09 0.20 -0.14 0.08 -2.03 0.00 0.00 175.02 173.22 1xee s VAL 63 N -0.71 1.29 -0.18 5.16 1.01 0.49 -0.81 120.40 126.65 1xee s VAL 63 Ca 0.01 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 1xee s VAL 63 Cb -0.07 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 1xee s VAL 63 CO 0.01 0.39 -0.02 -0.63 0.00 0.00 0.00 175.10 174.85 1xee s ILE 64 N 0.74 3.86 -0.06 2.22 1.01 0.93 -0.51 121.20 129.38 1xee s ILE 64 Ca -0.13 -0.36 0.03 0.00 0.00 0.00 0.00 60.65 60.19 1xee s ILE 64 Cb -0.16 -2.72 -0.03 0.00 0.01 0.00 0.00 42.46 39.57 1xee s ILE 64 CO 0.03 0.46 -0.13 -0.76 0.00 0.00 0.00 174.94 174.54 1xee s LEU 65 N 0.75 2.80 0.27 2.97 2.01 -0.24 -1.46 118.68 125.78 1xee s LEU 65 Ca -0.01 -0.19 0.00 0.00 0.01 0.00 0.00 54.13 53.95 1xee s LEU 65 Cb -0.14 -1.58 -0.03 0.00 0.01 0.00 0.00 46.19 44.45 1xee s LEU 65 CO 0.02 0.32 0.26 0.42 1.01 0.00 0.00 176.35 178.39 1xee s THR 66 N -0.59 0.00 0.96 5.49 -4.23 -0.88 -1.33 115.64 115.05 1xee s THR 66 Ca 0.09 -1.88 -0.11 0.00 -1.18 0.00 0.00 61.69 58.60 1xee s THR 66 Cb -0.11 -2.49 0.13 0.00 1.34 0.00 0.00 72.50 71.37 1xee s THR 66 CO 0.01 0.00 0.89 -0.62 -0.54 0.00 0.00 174.62 174.36 1xee n GLU 67 N -0.44 -0.66 0.00 3.99 4.71 -0.96 -3.79 120.64 123.48 1xee n GLU 67 Ca 0.03 -0.14 0.00 0.00 -0.01 0.00 0.00 57.16 57.04 1xee n GLU 67 Cb 0.64 -2.19 0.00 0.00 -1.01 0.00 0.00 31.44 28.88 1xee n GLU 67 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1xee n ASN 68 N -3.44 0.00 -0.92 1.62 3.02 0.64 -1.99 115.26 114.18 1xee n ASN 68 Ca 0.09 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.59 1xee n ASN 68 Cb 0.53 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.65 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 0.02 -2.27 3.52 4.81 -1.26 -3.59 118.16 119.39 1xee n LYS 69 Ca 0.00 -0.78 -0.39 0.00 -0.87 0.00 0.00 58.31 56.27 1xee n LYS 69 Cb 0.00 0.50 -0.03 0.00 0.02 0.00 0.00 35.03 35.52 1xee n LYS 69 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1xee s GLY 70 N -0.78 0.51 -0.40 3.14 0.00 -0.84 -4.96 107.32 103.98 1xee s GLY 70 Ca 0.00 -0.99 0.02 0.00 0.00 0.00 0.00 44.72 43.75 1xee s GLY 70 CO -0.00 3.08 0.14 -0.47 0.00 0.00 0.00 173.10 175.85 1xee s TYR 71 N 7.59 3.63 -0.16 1.90 5.04 -1.26 -2.07 117.35 132.02 1xee s TYR 71 Ca 0.53 -2.85 0.00 0.00 -2.44 0.00 0.00 57.07 52.32 1xee s TYR 71 Cb -0.10 -3.02 -0.00 0.00 0.35 0.00 0.00 41.96 39.19 1xee s TYR 71 CO 0.18 -0.92 -0.16 0.71 -1.34 0.00 0.00 175.55 174.02 1xee s TYR 72 N 0.76 2.78 -0.22 4.97 2.02 -0.54 -4.97 117.35 122.15 1xee s TYR 72 Ca 0.11 -1.07 -0.07 0.00 -0.37 0.00 0.00 57.07 55.67 1xee s TYR 72 Cb -0.21 -1.89 -0.03 0.00 -0.40 0.00 0.00 41.96 39.43 1xee s TYR 72 CO -0.06 -0.49 0.05 0.99 -1.57 0.00 0.00 175.55 174.47 1xee s THR 73 N 0.84 4.33 -0.03 -0.71 2.01 -1.26 -0.05 115.64 120.77 1xee s THR 73 Ca -0.05 -0.18 0.03 0.00 0.31 0.00 0.00 61.69 61.80 1xee s THR 73 Cb -0.15 -2.99 0.00 0.00 0.01 0.00 0.00 72.50 69.37 1xee s THR 73 CO -0.01 0.38 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.52 1xee s VAL 74 N 1.20 0.84 -0.37 3.82 1.01 0.01 -5.00 120.40 121.91 1xee s VAL 74 Ca 0.04 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 61.51 1xee s VAL 74 Cb -0.14 -0.74 0.01 0.00 0.00 0.00 0.00 36.38 35.50 1xee s VAL 74 CO 0.03 0.26 0.23 -0.31 0.00 0.00 0.00 175.10 175.31 1xee s TYR 75 N 0.21 3.23 0.00 5.22 2.02 -1.26 -0.08 117.35 126.68 1xee s TYR 75 Ca -0.04 -0.59 0.00 0.00 -0.37 0.00 0.00 57.07 56.07 1xee s TYR 75 Cb -0.09 -2.48 0.00 0.00 -0.40 0.00 0.00 41.96 38.99 1xee s TYR 75 CO 0.01 -0.52 0.39 1.28 -1.57 0.00 0.00 175.55 175.14 1xee n LEU 76 N 5.07 0.00 -0.01 -1.29 4.77 -0.70 -2.50 117.00 122.34 1xee n LEU 76 Ca -0.12 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 55.95 1xee n LEU 76 Cb 0.48 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.43 1xee n LEU 76 CO 0.37 0.00 -0.67 -3.20 -1.33 0.00 0.00 177.39 172.56 1xee n ASN 77 N -0.79 0.85 -4.36 -1.43 2.85 -1.26 -5.01 115.26 106.11 1xee n ASN 77 Ca 0.00 -0.06 -0.26 0.00 -0.11 0.00 0.00 54.58 54.15 1xee n ASN 77 Cb 0.39 1.78 -0.12 0.00 1.24 0.00 0.00 39.78 43.07 1xee n ASN 77 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1xee s THR 78 N -3.22 2.06 0.36 -0.44 -4.23 -1.04 -5.13 115.64 103.99 1xee s THR 78 Ca -0.06 -1.77 -0.23 0.00 -1.18 0.00 0.00 61.69 58.45 1xee s THR 78 Cb 0.12 -1.87 -0.10 0.00 1.34 0.00 0.00 72.50 71.99 1xee s THR 78 CO 0.75 -0.05 0.92 -2.16 -0.54 0.00 0.00 174.62 173.55 1xee s PRO 79 N -2.23 4.41 -0.05 3.99 0.05 -1.26 -4.71 135.00 135.20 1xee s PRO 79 Ca 0.13 1.19 -0.25 0.00 0.05 0.00 0.00 61.00 62.13 1xee s PRO 79 Cb -0.09 -2.56 -0.04 0.00 0.05 0.00 0.00 34.50 31.86 1xee s PRO 79 CO 0.06 0.17 0.75 -1.17 0.05 0.00 0.00 177.00 176.87 1xee s LEU 80 N -2.51 4.33 0.78 -3.56 2.96 -1.26 -5.02 118.68 114.40 1xee s LEU 80 Ca 0.54 1.29 -0.13 0.00 -0.22 0.00 0.00 54.13 55.61 1xee s LEU 80 Cb -0.15 -3.18 0.06 0.00 0.50 0.00 0.00 46.19 43.43 1xee s LEU 80 CO 0.19 -0.14 1.17 0.00 -1.32 0.00 0.00 176.35 176.26 1xee s ALA 81 N 0.80 2.00 -0.96 5.97 0.00 -1.26 -4.73 121.76 123.57 1xee s ALA 81 Ca 0.40 0.71 0.27 0.00 0.00 0.00 0.00 51.96 53.34 1xee s ALA 81 Cb -0.18 -3.43 0.79 0.00 0.00 0.00 0.00 23.12 20.30 1xee s ALA 81 CO 0.20 -2.04 1.62 -0.85 0.00 0.00 0.00 175.76 174.70 1xee n GLU 82 N -3.17 0.03 0.00 0.00 0.28 -1.26 -0.39 120.64 116.13 1xee n GLU 82 Ca 0.12 0.01 0.12 0.00 -0.16 0.00 0.00 57.16 57.26 1xee n GLU 82 Cb 0.51 -1.53 0.31 0.00 1.43 0.00 0.00 31.44 32.16 1xee n GLU 82 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1xee n ASP 83 N -1.58 0.83 -0.01 -1.84 5.75 -1.26 -1.65 116.55 116.80 1xee n ASP 83 Ca 0.06 -0.65 0.03 0.00 -0.01 0.00 0.00 54.79 54.22 1xee n ASP 83 Cb 0.35 0.21 -0.07 0.00 -1.03 0.00 0.00 41.12 40.58 1xee n ASP 83 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1xee n ARG 84 N -1.00 0.60 0.05 0.11 1.74 -0.33 -4.69 116.66 113.14 1xee n ARG 84 Ca 0.09 -0.07 -0.07 0.00 -0.77 0.00 0.00 57.85 57.03 1xee n ARG 84 Cb 0.34 -1.20 -0.12 0.00 -1.02 0.00 0.00 32.46 30.46 1xee n ARG 84 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1xee h LYS 85 N 0.00 0.00 -0.77 5.56 2.10 -0.40 -2.10 116.57 120.96 1xee h LYS 85 Ca -0.03 -0.01 -0.05 0.00 -2.00 0.00 0.00 60.65 58.56 1xee h LYS 85 Cb 0.54 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.85 1xee h LYS 85 CO 0.00 0.94 0.06 -1.71 -2.00 0.00 0.00 179.45 176.75 1xee n ASN 86 N -3.32 3.96 -4.76 7.07 5.15 -0.66 -0.50 115.26 122.20 1xee n ASN 86 Ca -0.02 -2.66 -0.38 0.00 -0.60 0.00 0.00 54.58 50.92 1xee n ASN 86 Cb 0.95 -0.63 -0.06 0.00 -0.53 0.00 0.00 39.78 39.51 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 -2.12 5.14 0.21 3.44 1.01 -0.79 -4.90 120.40 122.39 1xee s VAL 87 Ca 0.35 0.85 -0.12 0.00 0.00 0.00 0.00 61.98 63.07 1xee s VAL 87 Cb 0.27 -3.75 -0.07 0.00 0.00 0.00 0.00 36.38 32.83 1xee s VAL 87 CO 0.10 0.43 0.57 -1.83 0.00 0.00 0.00 175.10 174.36 1xee s GLU 88 N -0.03 3.88 -0.22 2.72 -1.05 -1.26 -1.24 118.70 121.50 1xee s GLU 88 Ca 0.24 0.38 -0.19 0.00 -0.15 0.00 0.00 54.97 55.25 1xee s GLU 88 Cb -0.15 -2.71 -0.03 0.00 -0.44 0.00 0.00 34.13 30.80 1xee s GLU 88 CO 0.10 0.35 0.55 -0.51 0.95 0.00 0.00 175.26 176.71 1xee s LEU 89 N -2.57 4.12 0.00 1.83 2.01 -1.26 -4.91 118.68 117.89 1xee s LEU 89 Ca 0.45 0.68 0.00 0.00 0.01 0.00 0.00 54.13 55.27 1xee s LEU 89 Cb -0.12 -2.75 0.00 0.00 0.01 0.00 0.00 46.19 43.33 1xee s LEU 89 CO 0.20 -0.24 0.00 0.18 1.01 0.00 0.00 176.35 177.50 1xee n LEU 90 N 5.09 0.00 0.00 1.79 4.77 -1.26 -4.86 117.00 122.53 1xee n LEU 90 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1xee n LEU 90 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1xee n LEU 90 CO 0.42 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1xee n GLY 91 N 1.15 0.20 3.89 -0.72 0.00 -1.26 -4.46 105.19 103.99 1xee n GLY 91 Ca 0.00 -1.56 -0.24 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.00 3.18 -0.35 1.61 3.01 -1.26 -4.88 119.74 119.05 1xee s LYS 92 Ca 0.00 -0.82 -0.29 0.00 -1.01 0.00 0.00 55.97 53.85 1xee s LYS 92 Cb 0.00 -2.77 0.00 0.00 -1.01 0.00 0.00 37.83 34.05 1xee s LYS 92 CO 0.00 0.46 1.41 1.41 0.51 0.00 0.00 175.35 179.14 1xee s MET 93 N -3.55 3.71 -0.09 1.68 -2.45 -1.26 -4.17 119.30 113.17 1xee s MET 93 Ca 0.33 1.15 -0.07 0.00 -1.25 0.00 0.00 55.69 55.85 1xee s MET 93 Cb -0.09 -3.98 -0.05 0.00 1.25 0.00 0.00 34.83 31.95 1xee s MET 93 CO 0.27 -1.39 0.26 -0.92 1.05 0.00 0.00 175.02 174.28 1xee h TYR 94 N 10.29 -0.13 -2.63 4.11 3.20 -1.51 -2.19 116.97 128.12 1xee h TYR 94 Ca -0.28 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.48 1xee h TYR 94 Cb 1.11 0.04 -0.25 0.00 1.54 0.00 0.00 36.73 39.17 1xee h TYR 94 CO 0.93 0.03 -0.24 0.15 -1.64 0.00 0.00 178.16 177.38 1xee s LYS 95 N -2.12 0.46 -0.23 1.82 1.02 -1.13 -0.86 119.74 118.69 1xee s LYS 95 Ca -0.04 0.73 -0.05 0.00 0.02 0.00 0.00 55.97 56.63 1xee s LYS 95 Cb -0.00 0.10 -0.01 0.00 -0.52 0.00 0.00 37.83 37.40 1xee s LYS 95 CO 0.14 -0.12 -0.01 0.99 -0.92 0.00 0.00 175.35 175.43 1xee s THR 96 N 0.91 3.60 -0.34 2.17 2.01 0.10 -1.08 115.64 123.02 1xee s THR 96 Ca -0.06 -0.46 -0.07 0.00 0.31 0.00 0.00 61.69 61.41 1xee s THR 96 Cb -0.06 -2.68 0.03 0.00 0.01 0.00 0.00 72.50 69.80 1xee s THR 96 CO -0.07 0.37 0.12 -0.31 -0.69 0.00 0.00 174.62 174.03 1xee s TYR 97 N 1.50 3.23 -0.30 4.92 2.02 0.33 -1.24 117.35 127.82 1xee s TYR 97 Ca 0.05 -1.25 -0.20 0.00 -0.37 0.00 0.00 57.07 55.30 1xee s TYR 97 Cb -0.15 -2.30 -0.01 0.00 -0.40 0.00 0.00 41.96 39.10 1xee s TYR 97 CO -0.01 -0.69 0.61 -0.06 -1.57 0.00 0.00 175.55 173.83 1xee s PHE 98 N 1.45 3.22 -0.17 2.71 0.40 0.41 -0.38 117.98 125.62 1xee s PHE 98 Ca -0.00 0.58 -0.12 0.00 -0.60 0.00 0.00 56.93 56.79 1xee s PHE 98 Cb -0.19 -2.96 -0.05 0.00 0.51 0.00 0.00 43.02 40.34 1xee s PHE 98 CO 0.03 -0.46 0.22 -0.06 0.70 0.00 0.00 175.22 175.66 1xee s PHE 99 N 2.57 3.45 0.46 0.36 0.08 0.21 -1.56 117.98 123.55 1xee s PHE 99 Ca 0.25 0.49 -0.21 0.00 0.12 0.00 0.00 56.93 57.57 1xee s PHE 99 Cb -0.15 -2.25 -0.09 0.00 -0.57 0.00 0.00 43.02 39.97 1xee s PHE 99 CO 0.11 0.29 1.05 0.15 -0.10 0.00 0.00 175.22 176.72 1xee s LYS 100 N 0.34 3.91 -0.15 0.44 1.02 -1.25 -1.08 119.74 122.96 1xee s LYS 100 Ca 0.13 1.42 -0.33 0.00 0.02 0.00 0.00 55.97 57.20 1xee s LYS 100 Cb -0.12 -2.23 -0.11 0.00 -0.52 0.00 0.00 37.83 34.85 1xee s LYS 100 CO 0.02 -0.35 2.00 1.17 -0.92 0.00 0.00 175.35 177.26 1xee n LYS 101 N -0.69 1.96 0.00 1.68 4.81 0.12 -0.57 118.16 125.48 1xee n LYS 101 Ca 0.08 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 1xee n LYS 101 Cb 0.52 -2.72 0.00 0.00 0.02 0.00 0.00 35.03 32.85 1xee n LYS 101 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xee n GLY 102 N 5.02 3.39 3.65 3.14 0.00 -1.26 -5.00 105.19 114.12 1xee n GLY 102 Ca 0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.79 3.90 -0.02 1.61 0.41 0.26 -4.97 118.70 119.11 1xee s GLU 103 Ca 0.00 -0.34 0.10 0.00 -0.41 0.00 0.00 54.97 54.32 1xee s GLU 103 Cb 0.00 -3.19 0.32 0.00 -1.78 0.00 0.00 34.13 29.48 1xee s GLU 103 CO 0.00 0.32 1.23 0.43 -0.49 0.00 0.00 175.26 176.75 1xee n SER 104 N 3.39 2.12 -4.57 -0.19 7.64 -1.26 -4.32 113.62 116.42 1xee n SER 104 Ca -0.17 -2.08 -0.34 0.00 1.01 0.00 0.00 58.87 57.29 1xee n SER 104 Cb 0.52 -0.30 -0.11 0.00 -1.01 0.00 0.00 64.21 63.32 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 -1.59 3.36 0.23 1.43 -0.14 -1.26 -5.12 119.74 116.66 1xee s LYS 105 Ca 0.24 -0.48 -0.30 0.00 -1.36 0.00 0.00 55.97 54.07 1xee s LYS 105 Cb 0.14 -2.85 -0.09 0.00 -1.68 0.00 0.00 37.83 33.35 1xee s LYS 105 CO 0.14 0.44 0.98 0.45 -0.76 0.00 0.00 175.35 176.61 1xee s SER 106 N -0.18 7.54 0.00 2.83 0.15 -1.26 -3.84 113.70 118.94 1xee s SER 106 Ca 0.04 2.00 0.00 0.00 0.70 0.00 0.00 55.95 58.69 1xee s SER 106 Cb -0.13 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 1xee s SER 106 CO 0.02 0.06 0.81 -0.24 1.20 0.00 0.00 173.24 175.09 1xee n SER 107 N 1.61 1.55 -3.71 5.45 2.88 -0.60 -4.98 113.62 115.83 1xee n SER 107 Ca -0.01 -1.65 -0.11 0.00 -1.33 0.00 0.00 58.87 55.77 1xee n SER 107 Cb 0.47 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.81 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 -0.65 -0.53 -0.02 0.66 6.14 -1.20 -5.02 117.35 116.74 1xee s TYR 108 Ca 0.00 1.15 0.03 0.00 0.64 0.00 0.00 57.07 58.89 1xee s TYR 108 Cb 0.00 0.21 -0.00 0.00 0.42 0.00 0.00 41.96 42.59 1xee s TYR 108 CO 0.00 -0.31 -0.10 0.54 0.64 0.00 0.00 175.55 176.32 1xee s VAL 109 N 1.31 0.87 -0.11 3.14 0.11 -1.26 -0.44 120.40 124.02 1xee s VAL 109 Ca -0.09 -0.43 0.03 0.00 -2.93 0.00 0.00 61.98 58.56 1xee s VAL 109 Cb -0.09 -0.75 0.01 0.00 -1.53 0.00 0.00 36.38 34.02 1xee s VAL 109 CO -0.11 0.26 -0.20 -0.63 -3.33 0.00 0.00 175.10 171.08 1xee s ILE 110 N -0.00 1.85 -0.04 7.04 1.01 -0.37 -4.93 121.20 125.76 1xee s ILE 110 Ca -0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 60.65 59.76 1xee s ILE 110 Cb -0.07 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 1xee s ILE 110 CO 0.00 0.51 0.06 0.20 0.00 0.00 0.00 174.94 175.72 1xee s ASN 111 N 0.63 5.62 0.00 3.58 0.01 -1.26 0.03 114.94 123.55 1xee s ASN 111 Ca -0.13 0.17 0.00 0.00 -0.71 0.00 0.00 52.86 52.20 1xee s ASN 111 Cb -0.16 -1.63 0.00 0.00 0.41 0.00 0.00 41.25 39.87 1xee s ASN 111 CO 0.03 0.31 0.00 0.61 -1.51 0.00 0.00 177.10 176.55 1xee n GLY 112 N 1.52 5.52 0.66 0.66 0.00 -0.04 -4.97 105.19 108.54 1xee n GLY 112 Ca -0.15 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.84 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 1.24 -2.99 1.61 -0.04 -1.14 -4.76 135.00 128.92 1xee n PRO 113 Ca 0.00 -0.21 -0.33 0.00 -0.04 0.00 0.00 63.50 62.91 1xee n PRO 113 Cb 0.00 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 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 0.06 2.42 -0.10 0.55 0.00 -0.84 -4.89 107.32 104.51 1xee s GLY 114 Ca 0.04 0.22 -0.27 0.00 0.00 0.00 0.00 44.72 44.70 1xee s GLY 114 CO 0.01 0.49 0.91 1.70 0.00 0.00 0.00 173.10 176.21 1xee h LYS 115 N 2.31 -0.01 0.00 2.90 1.63 -1.89 -3.45 116.57 118.07 1xee h LYS 115 Ca -0.48 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 1xee h LYS 115 Cb 1.18 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 1xee h LYS 115 CO 0.64 0.81 0.00 -2.37 -3.45 0.00 0.00 179.45 175.07 1xee n THR 116 N -4.70 0.00 -0.25 1.00 5.66 -1.26 -5.01 114.28 109.72 1xee n THR 116 Ca -0.09 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.88 1xee n THR 116 Cb 0.40 0.00 0.20 0.00 -1.55 0.00 0.00 70.33 69.38 1xee n THR 116 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1xee n ASN 117 N 0.00 3.77 -4.74 1.09 4.05 -1.26 -2.27 115.26 115.90 1xee n ASN 117 Ca 0.00 -2.73 -0.27 0.00 0.45 0.00 0.00 54.58 52.03 1xee n ASN 117 Cb 0.00 -0.65 -0.07 0.00 1.23 0.00 0.00 39.78 40.28 1xee n ASN 117 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1xee s GLU 118 N -2.07 2.16 0.25 1.20 2.02 -1.26 -4.59 118.70 116.41 1xee s GLU 118 Ca 0.34 -2.03 -0.31 0.00 0.02 0.00 0.00 54.97 53.00 1xee s GLU 118 Cb 0.27 -1.84 -0.11 0.00 0.10 0.00 0.00 34.13 32.56 1xee s GLU 118 CO 0.09 -0.21 1.57 0.71 0.02 0.00 0.00 175.26 177.44 1xee s TYR 119 N -2.70 2.90 -0.04 1.61 2.02 -1.24 -0.26 117.35 119.64 1xee s TYR 119 Ca 0.32 0.75 0.06 0.00 -0.37 0.00 0.00 57.07 57.84 1xee s TYR 119 Cb 0.04 -3.99 -0.01 0.00 -0.40 0.00 0.00 41.96 37.60 1xee s TYR 119 CO 0.18 -3.43 -0.23 0.00 -1.57 0.00 0.00 175.55 170.50 1xee s ALA 120 N 0.36 1.94 0.00 3.71 0.00 -1.26 -4.75 121.76 121.76 1xee s ALA 120 Ca 0.65 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.65 1xee s ALA 120 Cb -0.46 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.10 1xee s ALA 120 CO 0.42 0.42 0.44 0.66 0.00 0.00 0.00 175.76 177.69