#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u76 s PHE 2 N 0.00 3.65 -0.30 1.12 5.36 -0.70 -3.24 117.98 123.86 1u76 s PHE 2 Ca 0.00 1.06 -0.05 0.00 -0.96 0.00 0.00 56.93 56.99 1u76 s PHE 2 Cb 0.00 -2.36 0.18 0.00 -0.34 0.00 0.00 43.02 40.50 1u76 s PHE 2 CO 0.00 0.48 0.69 -2.00 -1.46 0.00 0.00 175.22 172.94 1u76 s GLU 3 N -1.74 0.50 -0.03 10.12 2.12 0.01 -0.54 118.70 129.14 1u76 s GLU 3 Ca 0.35 0.95 0.05 0.00 0.36 0.00 0.00 54.97 56.67 1u76 s GLU 3 Cb -0.16 0.54 -0.01 0.00 0.26 0.00 0.00 34.13 34.76 1u76 s GLU 3 CO 0.19 -0.48 -0.16 0.00 -0.54 0.00 0.00 175.26 174.26 1u76 s ALA 4 N 2.86 1.43 -0.21 6.30 0.00 0.27 -1.73 121.76 130.67 1u76 s ALA 4 Ca 0.13 -0.68 -0.03 0.00 0.00 0.00 0.00 51.96 51.38 1u76 s ALA 4 Cb -0.13 -0.43 -0.00 0.00 0.00 0.00 0.00 23.12 22.55 1u76 s ALA 4 CO -0.19 0.29 -0.07 0.50 0.00 0.00 0.00 175.76 176.29 1u76 s ARG 5 N -0.12 3.26 -0.26 0.00 3.52 0.13 -0.88 118.95 124.61 1u76 s ARG 5 Ca 0.00 -0.69 0.02 0.00 -0.13 0.00 0.00 55.73 54.94 1u76 s ARG 5 Cb -0.09 -2.92 0.06 0.00 -1.56 0.00 0.00 34.95 30.43 1u76 s ARG 5 CO 0.01 -0.22 -0.11 -1.17 -0.81 0.00 0.00 175.30 173.01 1u76 s LEU 6 N 1.43 3.38 0.12 -0.88 2.96 0.30 -1.27 118.68 124.74 1u76 s LEU 6 Ca 0.05 -1.32 -0.13 0.00 -0.22 0.00 0.00 54.13 52.51 1u76 s LEU 6 Cb -0.14 -1.56 -0.06 0.00 0.50 0.00 0.00 46.19 44.93 1u76 s LEU 6 CO -0.05 -0.18 1.46 0.58 -1.32 0.00 0.00 176.35 176.83 1u76 h VAL 7 N 6.67 1.28 -1.09 1.68 2.07 -1.90 -1.73 116.25 123.24 1u76 h VAL 7 Ca -0.21 -1.50 -0.73 0.00 0.82 0.00 0.00 66.70 65.08 1u76 h VAL 7 Cb 1.05 1.45 -0.12 0.00 -1.52 0.00 0.00 31.29 32.15 1u76 h VAL 7 CO 0.48 0.49 2.41 0.00 0.02 0.00 0.00 177.57 180.98 1u76 n GLN 8 N -4.16 4.47 -0.06 1.57 6.02 -1.26 -4.45 117.38 119.51 1u76 n GLN 8 Ca -0.03 -3.35 0.24 0.00 -0.01 0.00 0.00 57.00 53.86 1u76 n GLN 8 Cb 0.51 -2.62 0.60 0.00 1.02 0.00 0.00 30.24 29.75 1u76 n GLN 8 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1u76 h GLY 9 N 5.58 0.00 1.52 1.08 0.00 -1.62 0.11 103.07 109.74 1u76 h GLY 9 Ca 0.70 0.00 0.04 0.00 0.00 0.00 0.00 47.33 48.07 1u76 h GLY 9 CO 1.47 0.00 0.21 1.48 0.00 0.00 0.00 176.54 179.69 1u76 h SER 10 N 0.00 0.00 -0.37 0.19 4.64 -1.83 0.16 113.55 116.34 1u76 h SER 10 Ca 0.34 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.63 1u76 h SER 10 Cb 1.99 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 64.06 1u76 h SER 10 CO -0.00 0.00 0.12 0.40 -0.87 0.00 0.00 176.83 176.48 1u76 h ILE 11 N 0.00 1.21 -0.63 0.95 2.04 -1.14 0.47 117.51 120.40 1u76 h ILE 11 Ca 0.06 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.22 1u76 h ILE 11 Cb 0.47 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1u76 h ILE 11 CO -0.00 0.23 0.27 0.25 0.00 0.00 0.00 178.15 178.90 1u76 h LEU 12 N 0.45 0.86 -0.02 1.44 5.85 -0.88 -0.67 115.31 122.34 1u76 h LEU 12 Ca 0.12 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.70 1u76 h LEU 12 Cb 0.24 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1u76 h LEU 12 CO -0.01 0.79 -0.08 0.11 -0.34 0.00 0.00 178.44 178.91 1u76 h LYS 13 N 0.88 -0.13 -0.47 1.25 1.57 -1.16 -1.61 116.57 116.90 1u76 h LYS 13 Ca 0.21 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1u76 h LYS 13 Cb 0.18 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1u76 h LYS 13 CO -0.02 -0.09 0.30 0.87 -0.57 0.00 0.00 179.45 179.94 1u76 h LYS 14 N -0.14 0.62 -0.14 3.15 1.57 -0.56 -1.71 116.57 119.36 1u76 h LYS 14 Ca 0.04 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1u76 h LYS 14 Cb 0.19 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1u76 h LYS 14 CO -0.10 0.41 0.02 0.28 -0.57 0.00 0.00 179.45 179.50 1u76 h VAL 15 N 0.64 1.22 -0.01 0.50 2.07 -0.26 -2.51 116.25 117.90 1u76 h VAL 15 Ca 0.17 -0.69 -0.08 0.00 0.82 0.00 0.00 66.70 66.92 1u76 h VAL 15 Cb -0.06 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1u76 h VAL 15 CO -0.04 0.21 -0.37 -0.07 0.02 0.00 0.00 177.57 177.32 1u76 h LEU 16 N 0.02 0.02 -0.29 2.57 4.07 -1.00 -0.83 115.31 119.88 1u76 h LEU 16 Ca 0.04 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1u76 h LEU 16 Cb 0.29 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.03 1u76 h LEU 16 CO 0.00 0.39 0.00 -0.62 -1.08 0.00 0.00 178.44 177.13 1u76 n GLU 17 N -4.10 0.10 -0.00 1.13 -0.58 -0.67 -1.15 120.64 115.38 1u76 n GLU 17 Ca -0.02 0.30 0.10 0.00 -0.42 0.00 0.00 57.16 57.12 1u76 n GLU 17 Cb 0.41 -1.68 -0.12 0.00 -0.57 0.00 0.00 31.44 29.48 1u76 n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1u76 n ALA 18 N -1.64 4.44 -0.05 0.62 0.00 -0.37 -4.61 120.51 118.90 1u76 n ALA 18 Ca 0.03 -0.56 -0.07 0.00 0.00 0.00 0.00 53.44 52.84 1u76 n ALA 18 Cb 0.23 -0.73 -0.05 0.00 0.00 0.00 0.00 19.45 18.90 1u76 n ALA 18 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1u76 n LEU 19 N -1.55 2.53 -0.32 0.00 4.77 -0.87 -4.75 117.00 116.81 1u76 n LEU 19 Ca 0.03 -0.05 0.21 0.00 -0.03 0.00 0.00 56.01 56.17 1u76 n LEU 19 Cb 0.33 -0.28 0.42 0.00 -2.33 0.00 0.00 43.42 41.56 1u76 n LEU 19 CO 0.41 0.61 1.02 0.07 -1.33 0.00 0.00 177.39 178.17 1u76 h LYS 20 N 0.00 0.20 0.00 3.23 2.10 -1.31 0.45 116.57 121.23 1u76 h LYS 20 Ca -0.24 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 1u76 h LYS 20 Cb 1.39 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.68 1u76 h LYS 20 CO -0.03 0.13 -0.17 -0.25 -2.00 0.00 0.00 179.45 177.13 1u76 n ASP 21 N -5.19 0.32 -0.08 7.07 8.00 -1.26 -3.81 116.55 121.61 1u76 n ASP 21 Ca 0.29 0.32 -0.09 0.00 0.71 0.00 0.00 54.79 56.02 1u76 n ASP 21 Cb 0.92 -0.33 -0.11 0.00 -0.02 0.00 0.00 41.12 41.59 1u76 n ASP 21 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1u76 n LEU 22 N -1.70 0.83 -4.11 0.64 7.94 0.21 -4.98 117.00 115.83 1u76 n LEU 22 Ca 0.06 -0.03 -0.27 0.00 -1.11 0.00 0.00 56.01 54.66 1u76 n LEU 22 Cb 0.37 0.08 -0.16 0.00 0.53 0.00 0.00 43.42 44.23 1u76 n LEU 22 CO 0.30 0.48 -0.50 -0.63 -1.11 0.00 0.00 177.39 175.93 1u76 s ILE 23 N -2.36 1.47 -0.14 1.96 1.01 0.13 -3.20 121.20 120.08 1u76 s ILE 23 Ca -0.12 -0.70 -0.10 0.00 0.00 0.00 0.00 60.65 59.73 1u76 s ILE 23 Cb 0.05 -1.29 -0.06 0.00 0.01 0.00 0.00 42.46 41.17 1u76 s ILE 23 CO 0.55 0.43 -0.01 0.78 0.00 0.00 0.00 174.94 176.68 1u76 h ASN 24 N 6.64 0.00 -3.25 3.58 2.35 -1.85 -3.38 115.58 119.67 1u76 h ASN 24 Ca -0.29 -0.14 -0.61 0.00 -0.55 0.00 0.00 56.30 54.71 1u76 h ASN 24 Cb 1.19 0.00 -0.34 0.00 0.05 0.00 0.00 38.32 39.22 1u76 h ASN 24 CO 0.47 0.80 -0.85 -1.61 -1.65 0.00 0.00 177.43 174.60 1u76 s GLU 25 N -2.06 2.46 0.28 0.81 2.02 -1.26 -0.83 118.70 120.11 1u76 s GLU 25 Ca -0.13 -0.65 0.02 0.00 0.02 0.00 0.00 54.97 54.23 1u76 s GLU 25 Cb 0.02 -2.04 -0.05 0.00 0.10 0.00 0.00 34.13 32.15 1u76 s GLU 25 CO 0.24 -0.04 0.08 0.00 0.02 0.00 0.00 175.26 175.57 1u76 s ALA 26 N 0.91 1.90 -0.14 5.21 0.00 0.20 -4.96 121.76 124.88 1u76 s ALA 26 Ca -0.07 -1.92 0.00 0.00 0.00 0.00 0.00 51.96 49.97 1u76 s ALA 26 Cb -0.15 0.93 -0.01 0.00 0.00 0.00 0.00 23.12 23.89 1u76 s ALA 26 CO -0.01 -0.41 -0.15 0.00 0.00 0.00 0.00 175.76 175.19 1u76 s TRP 28 N 0.55 3.27 -0.36 0.00 0.52 0.01 -4.40 118.94 118.52 1u76 s TRP 28 Ca -0.09 -1.04 -0.26 0.00 0.02 0.00 0.00 56.10 54.73 1u76 s TRP 28 Cb -0.16 -2.91 0.02 0.00 -1.15 0.00 0.00 33.47 29.26 1u76 s TRP 28 CO 0.04 -0.76 0.94 -0.51 0.02 0.00 0.00 176.95 176.68 1u76 s ASP 29 N 2.17 6.70 0.02 2.95 1.01 0.36 -1.60 116.67 128.28 1u76 s ASP 29 Ca 0.04 0.63 0.02 0.00 0.71 0.00 0.00 52.55 53.94 1u76 s ASP 29 Cb -0.22 -2.47 -0.04 0.00 1.01 0.00 0.00 42.92 41.20 1u76 s ASP 29 CO 0.06 -0.86 0.03 -0.63 0.21 0.00 0.00 175.17 173.98 1u76 s ILE 30 N 3.50 4.33 0.21 0.77 -1.09 0.33 -0.62 121.20 128.65 1u76 s ILE 30 Ca 0.39 -0.61 -0.19 0.00 -2.23 0.00 0.00 60.65 58.00 1u76 s ILE 30 Cb -0.12 -2.98 0.07 0.00 -1.58 0.00 0.00 42.46 37.85 1u76 s ILE 30 CO 0.18 0.31 0.94 -1.54 -1.23 0.00 0.00 174.94 173.61 1u76 n SER 31 N 1.14 -1.76 0.25 3.58 3.41 -1.21 -1.85 113.62 117.18 1u76 n SER 31 Ca -0.13 -1.99 0.17 0.00 -0.26 0.00 0.00 58.87 56.65 1u76 n SER 31 Cb 0.52 2.88 0.76 0.00 -0.26 0.00 0.00 64.21 68.12 1u76 n SER 31 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1u76 h SER 32 N 1.88 0.00 0.01 4.04 4.64 -1.96 -2.52 113.55 119.65 1u76 h SER 32 Ca -0.27 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.80 1u76 h SER 32 Cb 1.15 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.26 1u76 h SER 32 CO 0.36 0.00 -0.96 0.77 -0.87 0.00 0.00 176.83 176.13 1u76 h SER 33 N 0.00 0.87 -2.96 4.97 4.64 -1.97 -3.44 113.55 115.66 1u76 h SER 33 Ca 0.00 -0.66 0.00 0.00 -0.47 0.00 0.00 61.79 60.66 1u76 h SER 33 Cb 0.31 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1u76 h SER 33 CO 0.00 1.46 0.00 0.61 -0.87 0.00 0.00 176.83 178.03 1u76 n GLY 34 N 0.95 0.96 3.82 -0.77 0.00 -0.95 -0.96 105.19 108.24 1u76 n GLY 34 Ca -0.09 -1.75 -0.33 0.00 0.00 0.00 0.00 46.02 43.85 1u76 n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u76 s VAL 35 N -1.40 4.29 -0.03 1.61 1.01 0.25 -3.36 120.40 122.77 1u76 s VAL 35 Ca 0.00 1.34 -0.18 0.00 0.00 0.00 0.00 61.98 63.14 1u76 s VAL 35 Cb 0.00 -3.59 0.03 0.00 0.00 0.00 0.00 36.38 32.83 1u76 s VAL 35 CO 0.00 -0.39 0.39 0.21 0.00 0.00 0.00 175.10 175.31 1u76 s ASN 36 N -2.34 -0.29 -0.14 3.32 3.84 0.21 -1.35 114.94 118.18 1u76 s ASN 36 Ca 0.62 0.24 -0.10 0.00 0.21 0.00 0.00 52.86 53.83 1u76 s ASN 36 Cb -0.11 0.37 0.05 0.00 -0.55 0.00 0.00 41.25 41.01 1u76 s ASN 36 CO 0.19 -0.47 0.36 -0.22 -2.79 0.00 0.00 177.10 174.17 1u76 s LEU 37 N -1.26 0.30 -0.03 3.21 0.20 -0.66 -0.49 118.68 119.96 1u76 s LEU 37 Ca -0.13 0.76 -0.01 0.00 0.69 0.00 0.00 54.13 55.45 1u76 s LEU 37 Cb -0.04 1.20 0.03 0.00 -0.43 0.00 0.00 46.19 46.95 1u76 s LEU 37 CO 0.05 -0.16 0.04 -1.58 -0.29 0.00 0.00 176.35 174.41 1u76 s GLN 38 N 0.86 -0.04 -0.23 1.98 0.74 -1.25 0.27 119.66 121.99 1u76 s GLN 38 Ca -0.05 0.25 -0.25 0.00 0.05 0.00 0.00 55.36 55.36 1u76 s GLN 38 Cb -0.06 -0.34 0.07 0.00 1.10 0.00 0.00 33.01 33.77 1u76 s GLN 38 CO -0.06 -0.22 0.68 0.45 -0.55 0.00 0.00 175.29 175.59 1u76 s SER 39 N 1.43 -0.70 0.76 6.67 0.15 -0.56 -4.79 113.70 116.66 1u76 s SER 39 Ca -0.05 1.28 -0.11 0.00 0.70 0.00 0.00 55.95 57.78 1u76 s SER 39 Cb -0.13 1.28 0.05 0.00 -1.71 0.00 0.00 66.02 65.51 1u76 s SER 39 CO -0.03 -0.29 1.08 -0.04 1.20 0.00 0.00 173.24 175.17 1u76 s MET 40 N 0.15 2.35 0.86 5.44 -1.94 -1.26 -1.03 119.30 123.88 1u76 s MET 40 Ca -0.01 0.91 -0.11 0.00 -1.71 0.00 0.00 55.69 54.77 1u76 s MET 40 Cb -0.04 -1.93 0.19 0.00 2.01 0.00 0.00 34.83 35.06 1u76 s MET 40 CO 0.02 -1.50 1.18 -0.40 -0.01 0.00 0.00 175.02 174.31 1u76 n ASP 41 N -3.40 0.52 0.32 3.03 5.75 -0.15 -4.86 116.55 117.75 1u76 n ASP 41 Ca 0.08 -1.69 -0.18 0.00 -0.01 0.00 0.00 54.79 52.99 1u76 n ASP 41 Cb 0.54 -0.86 -0.09 0.00 -1.03 0.00 0.00 41.12 39.68 1u76 n ASP 41 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1u76 h SER 42 N -1.31 -1.13 0.00 -1.12 0.02 -1.90 -2.27 113.55 105.83 1u76 h SER 42 Ca -0.38 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1u76 h SER 42 Cb 1.16 0.36 0.00 0.00 0.14 0.00 0.00 62.40 64.06 1u76 h SER 42 CO 0.31 -0.62 0.32 0.28 -1.14 0.00 0.00 176.83 175.98 1u76 h SER 43 N -0.96 0.00 -4.30 3.07 0.02 -1.93 -3.45 113.55 106.00 1u76 h SER 43 Ca -0.06 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.50 1u76 h SER 43 Cb 0.81 0.00 0.06 0.00 0.14 0.00 0.00 62.40 63.41 1u76 h SER 43 CO 0.01 0.00 -0.58 1.41 -1.14 0.00 0.00 176.83 176.53 1u76 n HIS 44 N -2.57 -1.91 0.23 3.45 8.25 -0.86 -4.87 115.22 116.96 1u76 n HIS 44 Ca -0.02 0.52 0.03 0.00 -0.26 0.00 0.00 57.72 58.00 1u76 n HIS 44 Cb 0.36 -4.35 -0.04 0.00 1.12 0.00 0.00 29.99 27.07 1u76 n HIS 44 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1u76 n VAL 45 N -4.48 0.00 -4.05 1.59 0.31 -1.26 -4.96 118.33 105.48 1u76 n VAL 45 Ca -0.10 -0.29 -0.10 0.00 -0.01 0.00 0.00 64.34 63.84 1u76 n VAL 45 Cb 0.61 0.81 -0.08 0.00 -0.91 0.00 0.00 33.84 34.27 1u76 n VAL 45 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1u76 s SER 46 N -1.99 0.11 -0.04 4.52 1.04 -1.26 -0.81 113.70 115.27 1u76 s SER 46 Ca 0.01 -1.04 0.01 0.00 0.48 0.00 0.00 55.95 55.41 1u76 s SER 46 Cb 0.05 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.60 1u76 s SER 46 CO 0.29 -0.88 -0.05 -0.22 0.98 0.00 0.00 173.24 173.36 1u76 s LEU 47 N -3.02 1.40 -0.12 2.42 2.96 0.07 -0.98 118.68 121.40 1u76 s LEU 47 Ca 0.23 -0.13 -0.03 0.00 -0.22 0.00 0.00 54.13 53.98 1u76 s LEU 47 Cb 0.04 -0.45 -0.03 0.00 0.50 0.00 0.00 46.19 46.25 1u76 s LEU 47 CO 0.04 -0.04 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.34 1u76 s VAL 48 N 0.80 4.26 -0.23 1.68 1.01 -0.19 -0.02 120.40 127.71 1u76 s VAL 48 Ca -0.11 -0.25 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 1u76 s VAL 48 Cb -0.14 -2.84 0.06 0.00 0.00 0.00 0.00 36.38 33.47 1u76 s VAL 48 CO 0.00 0.55 -0.01 -1.58 0.00 0.00 0.00 175.10 174.06 1u76 s GLN 49 N -0.30 1.24 -0.11 2.72 -0.44 0.13 -1.50 119.66 121.39 1u76 s GLN 49 Ca 0.06 -0.85 -0.05 0.00 -2.50 0.00 0.00 55.36 52.03 1u76 s GLN 49 Cb -0.12 -2.41 -0.04 0.00 -1.64 0.00 0.00 33.01 28.80 1u76 s GLN 49 CO 0.02 -0.66 0.07 -1.17 0.50 0.00 0.00 175.29 174.05 1u76 s LEU 50 N 1.54 3.98 -0.20 3.68 2.96 0.14 -0.22 118.68 130.57 1u76 s LEU 50 Ca -0.02 0.30 -0.03 0.00 -0.22 0.00 0.00 54.13 54.15 1u76 s LEU 50 Cb -0.18 -1.95 0.06 0.00 0.50 0.00 0.00 46.19 44.63 1u76 s LEU 50 CO -0.08 0.38 0.06 -0.89 -1.32 0.00 0.00 176.35 174.49 1u76 s THR 51 N -0.88 0.37 -0.45 3.68 2.01 0.34 -1.65 115.64 119.06 1u76 s THR 51 Ca 0.13 -0.52 0.03 0.00 0.31 0.00 0.00 61.69 61.64 1u76 s THR 51 Cb -0.12 -0.95 0.12 0.00 0.01 0.00 0.00 72.50 71.56 1u76 s THR 51 CO 0.03 -0.28 0.19 -0.76 -0.69 0.00 0.00 174.62 173.11 1u76 s LEU 52 N 1.92 4.67 0.31 4.42 1.43 -0.46 -0.71 118.68 130.26 1u76 s LEU 52 Ca 0.01 -2.58 -0.29 0.00 -1.03 0.00 0.00 54.13 50.24 1u76 s LEU 52 Cb -0.17 -1.67 -0.10 0.00 0.03 0.00 0.00 46.19 44.28 1u76 s LEU 52 CO -0.10 -0.33 1.33 -0.13 0.23 0.00 0.00 176.35 177.35 1u76 s ARG 53 N 0.32 4.34 0.55 1.70 0.52 0.45 -0.58 118.95 126.24 1u76 s ARG 53 Ca 0.14 2.23 0.25 0.00 -0.52 0.00 0.00 55.73 57.83 1u76 s ARG 53 Cb -0.22 -3.08 1.45 0.00 0.52 0.00 0.00 34.95 33.61 1u76 s ARG 53 CO -0.04 -0.23 2.04 0.66 0.02 0.00 0.00 175.30 177.75 1u76 h SER 54 N 3.70 0.00 -0.74 0.23 4.64 -1.34 -1.23 113.55 118.82 1u76 h SER 54 Ca -0.48 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 60.89 1u76 h SER 54 Cb 1.22 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.26 1u76 h SER 54 CO 0.68 0.00 0.44 -0.33 -0.87 0.00 0.00 176.83 176.75 1u76 h GLU 55 N 0.00 0.80 -0.28 4.77 3.07 -1.88 -1.72 114.58 119.34 1u76 h GLU 55 Ca 0.17 -0.05 0.01 0.00 -0.50 0.00 0.00 59.36 58.99 1u76 h GLU 55 Cb 0.73 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 1u76 h GLU 55 CO -0.00 0.53 0.18 0.78 -1.40 0.00 0.00 179.01 179.10 1u76 h GLY 56 N 0.83 0.37 -2.65 -3.84 0.00 -1.18 -3.42 103.07 93.18 1u76 h GLY 56 Ca 0.32 -0.14 -0.49 0.00 0.00 0.00 0.00 47.33 47.02 1u76 h GLY 56 CO -0.16 0.13 0.44 -1.36 0.00 0.00 0.00 176.54 175.59 1u76 s PHE 57 N -5.34 3.04 -2.09 5.60 0.40 -0.65 -4.90 117.98 114.05 1u76 s PHE 57 Ca -0.07 1.59 0.29 0.00 -0.60 0.00 0.00 56.93 58.14 1u76 s PHE 57 Cb 0.17 -3.24 1.63 0.00 0.51 0.00 0.00 43.02 42.10 1u76 s PHE 57 CO 0.71 -1.07 2.06 -0.25 0.70 0.00 0.00 175.22 177.37 1u76 n ASP 58 N -0.39 0.28 -3.15 1.36 8.00 -0.39 -4.57 116.55 117.69 1u76 n ASP 58 Ca 0.07 -1.16 0.06 0.00 0.71 0.00 0.00 54.79 54.47 1u76 n ASP 58 Cb 0.49 -0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1u76 n ASP 58 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1u76 s THR 59 N -1.99 -0.12 0.29 -3.53 2.01 -1.19 -4.93 115.64 106.17 1u76 s THR 59 Ca 0.43 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.52 1u76 s THR 59 Cb 0.20 -0.19 -0.04 0.00 0.01 0.00 0.00 72.50 72.48 1u76 s THR 59 CO 0.34 0.00 0.12 -0.47 -0.69 0.00 0.00 174.62 173.92 1u76 s TYR 60 N 2.98 2.83 -0.30 4.92 5.04 -1.26 0.22 117.35 131.77 1u76 s TYR 60 Ca 0.28 -0.25 -0.17 0.00 -2.44 0.00 0.00 57.07 54.49 1u76 s TYR 60 Cb -0.01 -1.43 0.17 0.00 0.35 0.00 0.00 41.96 41.04 1u76 s TYR 60 CO -0.21 0.47 1.19 0.50 -1.34 0.00 0.00 175.55 176.17 1u76 s ARG 61 N -3.80 0.06 -0.27 4.97 3.52 -0.71 -4.93 118.95 117.79 1u76 s ARG 61 Ca 0.34 0.11 -0.01 0.00 -0.13 0.00 0.00 55.73 56.04 1u76 s ARG 61 Cb -0.06 0.06 0.09 0.00 -1.56 0.00 0.00 34.95 33.48 1u76 s ARG 61 CO 0.23 -0.07 0.07 0.00 -0.81 0.00 0.00 175.30 174.72 1u76 h ASP 63 N 8.12 -0.24 -3.33 0.00 3.32 -1.96 -3.41 116.42 118.92 1u76 h ASP 63 Ca -0.15 -0.13 -0.66 0.00 0.02 0.00 0.00 57.03 56.11 1u76 h ASP 63 Cb 1.05 0.06 -0.18 0.00 0.22 0.00 0.00 39.33 40.48 1u76 h ASP 63 CO 0.43 0.27 -0.63 -0.60 -1.72 0.00 0.00 179.24 176.99 1u76 s ARG 64 N -2.82 3.36 0.07 3.56 3.52 -1.26 -4.84 118.95 120.54 1u76 s ARG 64 Ca -0.08 -0.44 -0.31 0.00 -0.13 0.00 0.00 55.73 54.78 1u76 s ARG 64 Cb 0.00 -2.89 -0.09 0.00 -1.56 0.00 0.00 34.95 30.42 1u76 s ARG 64 CO 0.26 0.48 1.74 -0.80 -0.81 0.00 0.00 175.30 176.17 1u76 s ASN 65 N -0.27 6.54 0.16 -2.12 0.02 -1.26 -4.69 114.94 113.32 1u76 s ASN 65 Ca 0.06 2.55 0.07 0.00 -1.02 0.00 0.00 52.86 54.52 1u76 s ASN 65 Cb -0.12 -2.56 -0.04 0.00 0.02 0.00 0.00 41.25 38.55 1u76 s ASN 65 CO 0.02 -0.94 0.01 -0.76 0.02 0.00 0.00 177.10 175.45 1u76 s LEU 66 N 3.05 3.39 -0.32 0.60 1.43 -0.77 -4.97 118.68 121.09 1u76 s LEU 66 Ca 0.78 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 53.53 1u76 s LEU 66 Cb -0.41 -2.06 0.11 0.00 0.03 0.00 0.00 46.19 43.86 1u76 s LEU 66 CO 0.34 0.10 0.14 0.00 0.23 0.00 0.00 176.35 177.16 1u76 s ALA 67 N -1.65 1.10 -0.44 4.21 0.00 -1.26 -0.51 121.76 123.21 1u76 s ALA 67 Ca 0.27 -1.52 -0.14 0.00 0.00 0.00 0.00 51.96 50.57 1u76 s ALA 67 Cb -0.10 -1.54 0.06 0.00 0.00 0.00 0.00 23.12 21.54 1u76 s ALA 67 CO 0.19 -1.75 0.34 -1.64 0.00 0.00 0.00 175.76 172.90 1u76 s MET 68 N 1.65 2.92 -0.53 0.00 -1.94 -0.63 -4.87 119.30 115.90 1u76 s MET 68 Ca 0.11 -1.27 -0.27 0.00 -1.71 0.00 0.00 55.69 52.55 1u76 s MET 68 Cb -0.18 -4.03 -0.01 0.00 2.01 0.00 0.00 34.83 32.62 1u76 s MET 68 CO -0.25 -0.93 1.75 0.20 -0.01 0.00 0.00 175.02 175.78 1u76 s GLY 69 N 2.26 0.49 -0.02 -0.03 0.00 -1.23 -0.81 107.32 107.98 1u76 s GLY 69 Ca 0.04 -0.44 0.01 0.00 0.00 0.00 0.00 44.72 44.34 1u76 s GLY 69 CO 0.07 3.25 -0.01 0.14 0.00 0.00 0.00 173.10 176.55 1u76 s VAL 70 N 7.93 4.08 -0.58 1.40 1.01 0.24 -1.61 120.40 132.86 1u76 s VAL 70 Ca 0.67 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.88 1u76 s VAL 70 Cb -0.15 -2.79 0.07 0.00 0.00 0.00 0.00 36.38 33.52 1u76 s VAL 70 CO 0.25 0.43 0.79 0.21 0.00 0.00 0.00 175.10 176.77 1u76 s ASN 71 N -1.39 6.21 0.63 3.32 3.04 -1.26 -0.63 114.94 124.86 1u76 s ASN 71 Ca 0.18 -1.00 0.34 0.00 0.04 0.00 0.00 52.86 52.42 1u76 s ASN 71 Cb -0.11 -2.35 1.92 0.00 -1.54 0.00 0.00 41.25 39.16 1u76 s ASN 71 CO 0.08 -1.16 2.17 -0.07 -3.04 0.00 0.00 177.10 175.08 1u76 h LEU 72 N 10.42 0.00 -0.02 3.21 3.38 -1.25 -0.89 115.31 130.16 1u76 h LEU 72 Ca -0.28 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.46 1u76 h LEU 72 Cb 1.08 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.85 1u76 h LEU 72 CO 1.08 0.00 -0.88 0.74 0.09 0.00 0.00 178.44 179.47 1u76 h THR 73 N 0.00 1.32 -0.29 0.22 2.02 -1.83 -0.57 112.91 113.78 1u76 h THR 73 Ca 0.03 -2.15 -0.17 0.00 0.77 0.00 0.00 66.41 64.89 1u76 h THR 73 Cb 0.32 2.38 -0.00 0.00 -1.74 0.00 0.00 68.15 69.11 1u76 h THR 73 CO -0.00 0.66 -0.49 0.28 0.37 0.00 0.00 175.52 176.34 1u76 h SER 74 N 0.27 0.87 0.20 4.18 0.02 -1.58 -1.26 113.55 116.26 1u76 h SER 74 Ca -0.10 -0.44 -0.10 0.00 -0.84 0.00 0.00 61.79 60.31 1u76 h SER 74 Cb 1.54 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 1u76 h SER 74 CO 0.17 1.21 -0.37 -0.03 -1.14 0.00 0.00 176.83 176.68 1u76 h MET 75 N 0.63 0.23 0.14 3.45 -1.53 -1.25 -0.27 114.93 116.33 1u76 h MET 75 Ca 0.03 -0.10 -0.01 0.00 -3.44 0.00 0.00 59.70 56.18 1u76 h MET 75 Cb 1.07 -0.01 0.00 0.00 -0.55 0.00 0.00 31.60 32.11 1u76 h MET 75 CO 0.11 0.57 -0.07 1.03 0.14 0.00 0.00 176.91 178.69 1u76 h SER 76 N 0.20 -0.16 -0.17 1.39 0.87 -0.82 0.64 113.55 115.51 1u76 h SER 76 Ca 0.02 -0.34 0.05 0.00 -1.23 0.00 0.00 61.79 60.30 1u76 h SER 76 Cb 0.74 0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 62.68 1u76 h SER 76 CO 0.06 0.29 -0.28 0.11 -0.53 0.00 0.00 176.83 176.47 1u76 h LYS 77 N -0.64 -0.32 -0.26 2.24 1.57 -1.10 -1.44 116.57 116.62 1u76 h LYS 77 Ca -0.02 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.85 1u76 h LYS 77 Cb 0.48 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.80 1u76 h LYS 77 CO 0.03 -0.21 -0.20 0.82 -0.57 0.00 0.00 179.45 179.31 1u76 h ILE 78 N -0.33 0.45 0.00 1.86 2.04 -1.03 -1.20 117.51 119.30 1u76 h ILE 78 Ca 0.11 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.97 1u76 h ILE 78 Cb 0.50 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1u76 h ILE 78 CO -0.36 0.00 0.08 -0.07 0.00 0.00 0.00 178.15 177.80 1u76 h LEU 79 N -0.19 0.00 0.00 1.44 3.38 0.14 0.27 115.31 120.35 1u76 h LEU 79 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1u76 h LEU 79 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1u76 h LEU 79 CO -0.38 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.44 1u76 n LYS 80 N -2.68 0.30 -0.40 1.13 5.02 -0.45 -2.57 118.16 118.51 1u76 n LYS 80 Ca -0.02 0.02 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 1u76 n LYS 80 Cb 0.13 -1.50 0.20 0.00 -0.02 0.00 0.00 35.03 33.83 1u76 n LYS 80 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1u76 s ALA 82 N -1.81 2.43 0.53 0.00 0.00 -1.06 -5.04 121.76 116.80 1u76 s ALA 82 Ca 0.27 -1.02 -0.18 0.00 0.00 0.00 0.00 51.96 51.03 1u76 s ALA 82 Cb 0.19 -0.83 -0.07 0.00 0.00 0.00 0.00 23.12 22.42 1u76 s ALA 82 CO 0.10 0.49 1.03 0.20 0.00 0.00 0.00 175.76 177.58 1u76 s GLY 83 N -0.47 2.28 0.00 0.00 0.00 -1.26 -4.87 107.32 103.00 1u76 s GLY 83 Ca 0.06 0.44 0.08 0.00 0.00 0.00 0.00 44.72 45.29 1u76 s GLY 83 CO 0.01 0.75 0.87 0.70 0.00 0.00 0.00 173.10 175.44 1u76 n ASN 84 N -1.44 0.00 0.00 1.64 3.02 -1.26 -2.07 115.26 115.15 1u76 n ASN 84 Ca 0.08 -0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.25 1u76 n ASN 84 Cb 0.53 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 1u76 n ASN 84 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1u76 n GLU 85 N -0.89 4.60 -1.13 3.52 4.07 -1.26 -4.20 120.64 125.35 1u76 n GLU 85 Ca 0.06 -0.10 -0.31 0.00 -0.06 0.00 0.00 57.16 56.74 1u76 n GLU 85 Cb 0.03 -0.56 0.11 0.00 -0.06 0.00 0.00 31.44 30.96 1u76 n GLU 85 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1u76 s ASP 86 N -0.69 3.99 -0.24 4.31 1.01 -0.88 -4.41 116.67 119.76 1u76 s ASP 86 Ca 0.00 2.02 -0.14 0.00 0.71 0.00 0.00 52.55 55.13 1u76 s ASP 86 Cb 0.00 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 1u76 s ASP 86 CO 0.00 -2.38 0.33 -0.63 0.21 0.00 0.00 175.17 172.70 1u76 s ILE 87 N -2.68 5.22 -0.08 0.77 1.01 0.20 -3.64 121.20 122.01 1u76 s ILE 87 Ca 0.65 0.52 -0.05 0.00 0.00 0.00 0.00 60.65 61.77 1u76 s ILE 87 Cb -0.20 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 1u76 s ILE 87 CO 0.54 0.22 0.14 -0.63 0.00 0.00 0.00 174.94 175.22 1u76 s ILE 88 N 1.64 5.34 -0.17 2.92 1.01 -0.65 -0.46 121.20 130.83 1u76 s ILE 88 Ca 0.14 0.02 -0.01 0.00 0.00 0.00 0.00 60.65 60.80 1u76 s ILE 88 Cb -0.15 -3.38 0.05 0.00 0.01 0.00 0.00 42.46 38.99 1u76 s ILE 88 CO 0.08 0.51 -0.01 -0.89 0.00 0.00 0.00 174.94 174.63 1u76 s THR 89 N -1.12 0.84 0.14 2.92 2.01 -0.11 -0.53 115.64 119.78 1u76 s THR 89 Ca 0.19 -0.56 -0.23 0.00 0.31 0.00 0.00 61.69 61.40 1u76 s THR 89 Cb -0.12 -1.14 -0.08 0.00 0.01 0.00 0.00 72.50 71.17 1u76 s THR 89 CO 0.09 -0.00 0.71 -0.76 -0.69 0.00 0.00 174.62 173.96 1u76 s LEU 90 N 1.74 4.56 -0.24 4.42 1.43 -0.06 -2.35 118.68 128.18 1u76 s LEU 90 Ca -0.00 1.51 -0.10 0.00 -1.03 0.00 0.00 54.13 54.51 1u76 s LEU 90 Cb -0.16 -3.18 0.10 0.00 0.03 0.00 0.00 46.19 42.98 1u76 s LEU 90 CO -0.07 0.22 0.55 -0.60 0.23 0.00 0.00 176.35 176.67 1u76 s ARG 91 N -1.19 0.49 0.28 1.70 3.52 -0.83 -0.57 118.95 122.35 1u76 s ARG 91 Ca 0.34 1.19 0.03 0.00 -0.13 0.00 0.00 55.73 57.16 1u76 s ARG 91 Cb -0.22 0.45 -0.06 0.00 -1.56 0.00 0.00 34.95 33.57 1u76 s ARG 91 CO 0.24 -0.20 0.06 0.00 -0.81 0.00 0.00 175.30 174.58 1u76 s ALA 92 N 2.40 2.01 -0.16 6.12 0.00 0.30 -1.02 121.76 131.41 1u76 s ALA 92 Ca -0.06 -1.93 0.00 0.00 0.00 0.00 0.00 51.96 49.98 1u76 s ALA 92 Cb -0.10 0.76 0.03 0.00 0.00 0.00 0.00 23.12 23.80 1u76 s ALA 92 CO -0.16 -0.35 -0.14 -1.21 0.00 0.00 0.00 175.76 173.90 1u76 s GLU 93 N -3.94 2.28 0.60 0.00 0.41 -1.26 -1.73 118.70 115.06 1u76 s GLU 93 Ca 0.35 -0.61 0.28 0.00 -0.41 0.00 0.00 54.97 54.58 1u76 s GLU 93 Cb 0.08 -2.17 1.23 0.00 -1.78 0.00 0.00 34.13 31.49 1u76 s GLU 93 CO 0.13 -0.27 1.62 -0.44 -0.49 0.00 0.00 175.26 175.82 1u76 h ASP 94 N 8.04 0.00 0.28 -0.19 3.32 -1.94 0.25 116.42 126.18 1u76 h ASP 94 Ca -0.37 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.57 1u76 h ASP 94 Cb 1.13 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 1u76 h ASP 94 CO 0.52 0.00 -1.82 0.59 -1.72 0.00 0.00 179.24 176.81 1u76 n ASN 95 N -3.46 0.29 -4.79 6.45 3.02 -1.26 -4.93 115.26 110.58 1u76 n ASN 95 Ca 0.15 0.12 -0.38 0.00 -0.03 0.00 0.00 54.58 54.44 1u76 n ASN 95 Cb 1.06 1.22 -0.06 0.00 -0.61 0.00 0.00 39.78 41.39 1u76 n ASN 95 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u76 s ALA 96 N -3.17 3.59 -0.39 5.41 0.00 0.87 -4.97 121.76 123.10 1u76 s ALA 96 Ca -0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 51.96 51.71 1u76 s ALA 96 Cb 0.11 -2.53 0.18 0.00 0.00 0.00 0.00 23.12 20.88 1u76 s ALA 96 CO 0.86 0.28 2.28 -3.47 0.00 0.00 0.00 175.76 175.71 1u76 n ASP 97 N 2.52 6.57 -3.77 0.00 2.03 -1.26 -4.51 116.55 118.13 1u76 n ASP 97 Ca -0.11 -3.17 -0.13 0.00 0.52 0.00 0.00 54.79 51.90 1u76 n ASP 97 Cb 0.52 -1.11 -0.11 0.00 -0.72 0.00 0.00 41.12 39.69 1u76 n ASP 97 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1u76 s THR 98 N -2.48 -0.00 0.05 5.18 -1.32 -1.26 -1.38 115.64 114.43 1u76 s THR 98 Ca 0.43 0.01 0.02 0.00 -1.21 0.00 0.00 61.69 60.94 1u76 s THR 98 Cb 0.31 -0.40 -0.04 0.00 -1.51 0.00 0.00 72.50 70.86 1u76 s THR 98 CO -0.08 0.00 0.08 -0.22 -2.21 0.00 0.00 174.62 172.20 1u76 s LEU 99 N 0.21 3.85 -0.14 9.08 2.96 -0.21 -4.38 118.68 130.05 1u76 s LEU 99 Ca -0.00 0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.96 1u76 s LEU 99 Cb -0.02 -2.43 -0.01 0.00 0.50 0.00 0.00 46.19 44.23 1u76 s LEU 99 CO -0.00 0.21 -0.15 0.00 -1.32 0.00 0.00 176.35 175.09 1u76 s ALA 100 N -1.33 2.53 -0.26 5.97 0.00 -0.18 0.36 121.76 128.85 1u76 s ALA 100 Ca 0.27 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 51.22 1u76 s ALA 100 Cb -0.12 -1.21 0.02 0.00 0.00 0.00 0.00 23.12 21.81 1u76 s ALA 100 CO 0.20 0.09 -0.02 -0.51 0.00 0.00 0.00 175.76 175.51 1u76 s LEU 101 N 0.63 3.31 -0.15 0.00 1.02 0.43 -1.97 118.68 121.95 1u76 s LEU 101 Ca -0.08 -0.75 -0.00 0.00 0.02 0.00 0.00 54.13 53.32 1u76 s LEU 101 Cb -0.16 -1.73 -0.01 0.00 0.02 0.00 0.00 46.19 44.31 1u76 s LEU 101 CO 0.03 -0.13 -0.13 -0.69 0.02 0.00 0.00 176.35 175.45 1u76 s VAL 102 N 1.40 2.92 -0.15 -1.59 1.01 -0.99 0.14 120.40 123.14 1u76 s VAL 102 Ca 0.02 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 1u76 s VAL 102 Cb -0.16 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 1u76 s VAL 102 CO -0.02 0.51 -0.12 -0.36 0.00 0.00 0.00 175.10 175.11 1u76 s PHE 103 N 0.63 2.84 -0.19 5.22 0.08 0.11 -0.94 117.98 125.73 1u76 s PHE 103 Ca -0.07 -0.75 -0.03 0.00 0.12 0.00 0.00 56.93 56.21 1u76 s PHE 103 Cb -0.16 -1.90 -0.01 0.00 -0.57 0.00 0.00 43.02 40.39 1u76 s PHE 103 CO 0.03 -0.30 -0.08 -1.21 -0.10 0.00 0.00 175.22 173.56 1u76 s GLU 104 N 0.60 3.37 0.33 0.44 2.02 0.39 -0.87 118.70 124.97 1u76 s GLU 104 Ca -0.07 -0.65 -0.27 0.00 0.02 0.00 0.00 54.97 54.00 1u76 s GLU 104 Cb -0.15 -2.87 -0.09 0.00 0.10 0.00 0.00 34.13 31.11 1u76 s GLU 104 CO 0.03 -0.07 1.03 0.00 0.02 0.00 0.00 175.26 176.28 1u76 s ALA 105 N 1.11 3.25 0.00 5.21 0.00 -1.08 0.63 121.76 130.87 1u76 s ALA 105 Ca 0.01 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.70 1u76 s ALA 105 Cb -0.15 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1u76 s ALA 105 CO -0.02 -0.08 0.58 -2.30 0.00 0.00 0.00 175.76 173.94 1u76 n PRO 106 N 0.66 0.00 -2.08 0.00 -0.02 -1.26 -2.95 135.00 129.34 1u76 n PRO 106 Ca 0.02 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.65 1u76 n PRO 106 Cb 0.48 -0.95 -0.03 0.00 -0.02 0.00 0.00 33.50 32.98 1u76 n PRO 106 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1u76 s ASN 107 N -2.65 6.73 -1.45 2.55 2.20 -1.26 -4.86 114.94 116.20 1u76 s ASN 107 Ca 0.00 2.30 -0.08 0.00 -0.94 0.00 0.00 52.86 54.14 1u76 s ASN 107 Cb 0.00 -2.56 0.04 0.00 -2.00 0.00 0.00 41.25 36.72 1u76 s ASN 107 CO 0.00 -0.79 2.58 1.67 -2.94 0.00 0.00 177.10 177.62 1u76 n GLN 108 N 5.35 4.13 0.00 3.55 -0.06 -1.15 -4.26 117.38 124.93 1u76 n GLN 108 Ca 0.14 -2.94 0.08 0.00 -2.00 0.00 0.00 57.00 52.28 1u76 n GLN 108 Cb 0.42 -2.74 0.05 0.00 -4.06 0.00 0.00 30.24 23.91 1u76 n GLN 108 CO 0.00 0.00 0.00 -0.85 -0.20 0.00 0.00 177.06 176.01 1u76 n GLU 109 N 2.75 1.39 -3.76 3.69 0.00 -1.26 -4.93 120.64 118.51 1u76 n GLU 109 Ca 0.67 -1.28 -0.13 0.00 0.00 0.00 0.00 57.16 56.42 1u76 n GLU 109 Cb 0.25 -1.29 -0.13 0.00 0.00 0.00 0.00 31.44 30.26 1u76 n GLU 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 1u76 s LYS 110 N -1.49 0.15 -0.04 3.44 2.20 -1.26 -5.12 119.74 117.62 1u76 s LYS 110 Ca 0.17 0.37 -0.00 0.00 -0.36 0.00 0.00 55.97 56.15 1u76 s LYS 110 Cb 0.13 -0.08 0.03 0.00 -1.51 0.00 0.00 37.83 36.39 1u76 s LYS 110 CO 0.25 -0.12 0.00 0.08 -0.36 0.00 0.00 175.35 175.20 1u76 s VAL 111 N 0.87 0.23 -0.11 4.02 1.01 -1.26 -2.65 120.40 122.51 1u76 s VAL 111 Ca -0.06 0.11 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 1u76 s VAL 111 Cb -0.08 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 1u76 s VAL 111 CO -0.05 0.18 0.04 -0.44 0.00 0.00 0.00 175.10 174.84 1u76 s SER 112 N 1.37 5.52 -0.11 3.32 0.01 -0.05 -4.95 113.70 118.81 1u76 s SER 112 Ca -0.05 0.20 -0.01 0.00 1.31 0.00 0.00 55.95 57.41 1u76 s SER 112 Cb -0.13 -1.67 0.03 0.00 0.21 0.00 0.00 66.02 64.46 1u76 s SER 112 CO -0.02 0.36 -0.07 -0.62 0.41 0.00 0.00 173.24 173.30 1u76 s ASP 113 N -0.74 2.09 -0.11 2.44 2.15 -1.26 0.04 116.67 121.28 1u76 s ASP 113 Ca 0.12 -0.27 0.03 0.00 0.43 0.00 0.00 52.55 52.86 1u76 s ASP 113 Cb -0.12 -0.78 0.01 0.00 -0.30 0.00 0.00 42.92 41.72 1u76 s ASP 113 CO 0.02 -0.13 -0.21 -0.31 -0.17 0.00 0.00 175.17 174.38 1u76 s TYR 114 N 1.74 2.37 -0.35 -5.34 1.51 0.37 -4.97 117.35 112.68 1u76 s TYR 114 Ca 0.05 -1.04 -0.07 0.00 -1.01 0.00 0.00 57.07 55.00 1u76 s TYR 114 Cb -0.13 -1.62 0.04 0.00 -0.11 0.00 0.00 41.96 40.15 1u76 s TYR 114 CO -0.08 -0.45 0.13 -1.21 -1.11 0.00 0.00 175.55 172.83 1u76 s GLU 115 N 0.57 2.64 -0.20 -0.62 0.41 -1.26 0.16 118.70 120.40 1u76 s GLU 115 Ca -0.14 -1.19 -0.10 0.00 -0.41 0.00 0.00 54.97 53.13 1u76 s GLU 115 Cb -0.17 -3.52 -0.05 0.00 -1.78 0.00 0.00 34.13 28.61 1u76 s GLU 115 CO 0.04 -0.69 0.13 1.41 -0.49 0.00 0.00 175.26 175.66 1u76 s MET 116 N 1.42 4.19 0.02 1.61 -2.45 0.16 -4.93 119.30 119.31 1u76 s MET 116 Ca -0.01 -0.22 -0.30 0.00 -1.25 0.00 0.00 55.69 53.91 1u76 s MET 116 Cb -0.20 -3.42 -0.06 0.00 1.25 0.00 0.00 34.83 32.40 1u76 s MET 116 CO 0.03 0.29 1.50 0.15 1.05 0.00 0.00 175.02 178.04 1u76 s LYS 117 N 0.38 4.25 0.89 4.11 1.02 -1.26 -1.04 119.74 128.09 1u76 s LYS 117 Ca 0.08 2.10 -0.10 0.00 0.02 0.00 0.00 55.97 58.07 1u76 s LYS 117 Cb -0.11 -3.60 0.19 0.00 -0.52 0.00 0.00 37.83 33.79 1u76 s LYS 117 CO -0.02 -0.65 1.21 -0.51 -0.92 0.00 0.00 175.35 174.47 1u76 s LEU 118 N 2.57 2.83 0.05 3.17 1.43 -0.48 -4.80 118.68 123.45 1u76 s LEU 118 Ca 0.68 -0.11 -0.18 0.00 -1.03 0.00 0.00 54.13 53.49 1u76 s LEU 118 Cb -0.34 -1.96 0.04 0.00 0.03 0.00 0.00 46.19 43.95 1u76 s LEU 118 CO 0.28 -2.51 0.41 0.00 0.23 0.00 0.00 176.35 174.76 1u76 s MET 119 N -5.63 0.92 -0.35 1.70 0.23 -0.63 -4.93 119.30 110.61 1u76 s MET 119 Ca 0.73 -0.38 -0.26 0.00 -1.03 0.00 0.00 55.69 54.75 1u76 s MET 119 Cb -0.03 0.41 0.01 0.00 -1.53 0.00 0.00 34.83 33.69 1u76 s MET 119 CO 0.50 -0.32 0.95 -0.51 -2.03 0.00 0.00 175.02 173.62 1u76 s ASP 120 N -2.02 6.75 -0.12 -1.18 1.01 -1.26 -3.53 116.67 116.32 1u76 s ASP 120 Ca -0.05 0.73 0.02 0.00 0.71 0.00 0.00 52.55 53.96 1u76 s ASP 120 Cb -0.01 -2.48 -0.00 0.00 1.01 0.00 0.00 42.92 41.44 1u76 s ASP 120 CO -0.03 -0.84 -0.20 -0.76 0.21 0.00 0.00 175.17 173.56 1u76 s LEU 121 N 3.47 2.30 -0.62 1.23 1.43 -1.26 -5.00 118.68 120.23 1u76 s LEU 121 Ca 0.40 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 53.00 1u76 s LEU 121 Cb -0.12 -1.48 0.45 0.00 0.03 0.00 0.00 46.19 45.07 1u76 s LEU 121 CO 0.17 0.15 1.93 -0.90 0.23 0.00 0.00 176.35 177.92 1u76 n ASP 122 N 3.63 7.30 -3.95 2.29 5.75 -1.26 -4.99 116.55 125.32 1u76 n ASP 122 Ca -0.19 -3.78 -0.41 0.00 -0.01 0.00 0.00 54.79 50.39 1u76 n ASP 122 Cb 0.53 -0.89 -0.02 0.00 -1.03 0.00 0.00 41.12 39.70 1u76 n ASP 122 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1u76 n VAL 123 N -0.90 1.38 -2.68 2.12 0.31 -1.26 -4.85 118.33 112.45 1u76 n VAL 123 Ca 0.60 -0.45 -0.43 0.00 -0.01 0.00 0.00 64.34 64.06 1u76 n VAL 123 Cb 0.71 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.61 1u76 n VAL 123 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1u76 s GLU 124 N -0.90 3.49 0.29 5.55 2.12 -1.26 -5.01 118.70 122.97 1u76 s GLU 124 Ca 0.56 0.13 -0.28 0.00 0.36 0.00 0.00 54.97 55.74 1u76 s GLU 124 Cb -0.75 -4.00 -0.09 0.00 0.26 0.00 0.00 34.13 29.54 1u76 s GLU 124 CO 0.53 -1.54 0.98 -0.65 -0.54 0.00 0.00 175.26 174.04 1u76 s GLN 125 N 4.48 4.65 0.20 4.30 -1.52 -1.26 -4.80 119.66 125.71 1u76 s GLN 125 Ca 0.39 1.50 0.09 0.00 -1.95 0.00 0.00 55.36 55.39 1u76 s GLN 125 Cb -0.09 -3.03 -0.04 0.00 -0.22 0.00 0.00 33.01 29.63 1u76 s GLN 125 CO 0.24 0.31 -0.17 -0.51 -0.25 0.00 0.00 175.29 174.91 1u76 s LEU 126 N -1.67 2.51 -0.15 2.90 1.43 -1.26 -5.14 118.68 117.29 1u76 s LEU 126 Ca 0.46 -0.95 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 1u76 s LEU 126 Cb -0.24 -0.82 0.02 0.00 0.03 0.00 0.00 46.19 45.18 1u76 s LEU 126 CO 0.31 -0.07 -0.14 -0.83 0.23 0.00 0.00 176.35 175.85 1u76 s GLY 127 N -3.04 1.14 0.01 -3.19 0.00 -1.26 -5.09 107.32 95.89 1u76 s GLY 127 Ca 0.20 -0.93 -0.30 0.00 0.00 0.00 0.00 44.72 43.69 1u76 s GLY 127 CO 0.08 0.54 1.13 -0.26 0.00 0.00 0.00 173.10 174.60 1u76 s ILE 128 N 1.48 4.33 -0.59 0.90 -4.36 -1.26 -4.98 121.20 116.72 1u76 s ILE 128 Ca 0.04 1.67 -0.28 0.00 -0.26 0.00 0.00 60.65 61.82 1u76 s ILE 128 Cb -0.13 -4.07 0.03 0.00 1.25 0.00 0.00 42.46 39.54 1u76 s ILE 128 CO -0.11 0.09 1.19 -2.84 0.24 0.00 0.00 174.94 173.52 1u76 s PRO 129 N 1.38 3.49 -0.21 0.37 0.02 -1.26 -4.96 135.00 133.83 1u76 s PRO 129 Ca 0.56 0.20 -0.36 0.00 0.02 0.00 0.00 61.00 61.42 1u76 s PRO 129 Cb -0.26 -4.03 -0.13 0.00 0.02 0.00 0.00 34.50 30.11 1u76 s PRO 129 CO 0.27 -1.70 1.92 -0.85 -0.33 0.00 0.00 177.00 176.30 1u76 n GLU 130 N 8.47 1.60 -4.31 5.54 0.28 -1.26 -4.92 120.64 126.03 1u76 n GLU 130 Ca 0.08 0.56 -0.19 0.00 -0.16 0.00 0.00 57.16 57.45 1u76 n GLU 130 Cb 0.49 -2.45 -0.09 0.00 1.43 0.00 0.00 31.44 30.82 1u76 n GLU 130 CO 0.00 0.00 0.00 1.14 -0.16 0.00 0.00 177.13 178.11 1u76 s GLN 131 N 4.50 1.64 0.14 3.44 -2.07 -1.26 -5.17 119.66 120.88 1u76 s GLN 131 Ca 0.99 -1.95 0.04 0.00 -1.82 0.00 0.00 55.36 52.62 1u76 s GLN 131 Cb -0.84 0.07 -0.04 0.00 -1.09 0.00 0.00 33.01 31.12 1u76 s GLN 131 CO 0.55 -0.53 0.16 -2.00 -1.32 0.00 0.00 175.29 172.16 1u76 s GLU 132 N -3.70 3.06 -0.09 9.60 2.56 -1.26 -5.12 118.70 123.75 1u76 s GLU 132 Ca 0.37 -0.74 0.04 0.00 0.00 0.00 0.00 54.97 54.64 1u76 s GLU 132 Cb 0.04 -2.76 -0.00 0.00 2.00 0.00 0.00 34.13 33.40 1u76 s GLU 132 CO 0.21 0.52 -0.24 0.71 -0.56 0.00 0.00 175.26 175.89 1u76 s TYR 133 N -1.66 2.51 0.28 5.30 1.51 -1.26 -4.92 117.35 119.11 1u76 s TYR 133 Ca 0.32 -0.96 -0.02 0.00 -1.01 0.00 0.00 57.07 55.39 1u76 s TYR 133 Cb -0.11 -1.67 0.40 0.00 -0.11 0.00 0.00 41.96 40.47 1u76 s TYR 133 CO 0.25 -0.37 1.91 0.77 -1.11 0.00 0.00 175.55 177.00 1u76 h SER 134 N 6.55 0.91 -3.91 2.29 0.02 -1.78 -3.44 113.55 114.20 1u76 h SER 134 Ca -0.22 -0.08 -0.31 0.00 -0.84 0.00 0.00 61.79 60.34 1u76 h SER 134 Cb 1.22 -0.23 -0.28 0.00 0.14 0.00 0.00 62.40 63.25 1u76 h SER 134 CO 0.47 0.74 -0.75 0.00 -1.14 0.00 0.00 176.83 176.15 1u76 s VAL 136 N -0.14 0.50 -0.19 0.00 1.01 -1.02 -1.47 120.40 119.09 1u76 s VAL 136 Ca 0.01 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 1u76 s VAL 136 Cb -0.02 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.73 1u76 s VAL 136 CO -0.00 0.28 -0.11 -0.69 0.00 0.00 0.00 175.10 174.57 1u76 s VAL 137 N 1.92 2.82 -0.11 2.92 1.01 0.95 -1.48 120.40 128.44 1u76 s VAL 137 Ca 0.05 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 1u76 s VAL 137 Cb -0.12 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1u76 s VAL 137 CO -0.06 0.48 0.04 -0.75 0.00 0.00 0.00 175.10 174.81 1u76 s LYS 138 N 1.25 3.23 0.00 2.72 2.20 -0.35 0.47 119.74 129.26 1u76 s LYS 138 Ca 0.03 -0.33 -0.29 0.00 -0.36 0.00 0.00 55.97 55.02 1u76 s LYS 138 Cb -0.14 -2.94 0.10 0.00 -1.51 0.00 0.00 37.83 33.34 1u76 s LYS 138 CO -0.05 0.66 0.95 0.00 -0.36 0.00 0.00 175.35 176.55 1u76 s MET 139 N -0.75 0.81 0.33 4.03 0.23 -0.68 -1.96 119.30 121.30 1u76 s MET 139 Ca 0.12 -0.34 -0.28 0.00 -1.03 0.00 0.00 55.69 54.16 1u76 s MET 139 Cb -0.12 0.35 -0.12 0.00 -1.53 0.00 0.00 34.83 33.40 1u76 s MET 139 CO 0.02 -0.36 1.29 -2.30 -2.03 0.00 0.00 175.02 171.65 1u76 n PRO 140 N -0.28 2.09 0.01 3.16 -0.02 -1.26 -1.12 135.00 137.58 1u76 n PRO 140 Ca -0.07 0.73 -0.02 0.00 -2.02 0.00 0.00 63.50 62.12 1u76 n PRO 140 Cb 0.61 -2.31 0.25 0.00 -0.02 0.00 0.00 33.50 32.02 1u76 n PRO 140 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1u76 h SER 141 N 2.74 0.48 -0.78 2.55 4.64 -0.94 -2.41 113.55 119.83 1u76 h SER 141 Ca -0.46 -0.13 -0.04 0.00 -0.47 0.00 0.00 61.79 60.69 1u76 h SER 141 Cb 1.28 -0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 63.21 1u76 h SER 141 CO 0.64 0.65 0.33 1.23 -0.87 0.00 0.00 176.83 178.80 1u76 h GLY 142 N 0.93 1.26 0.85 -0.77 0.00 -1.88 0.15 103.07 103.62 1u76 h GLY 142 Ca 0.08 -0.67 -0.06 0.00 0.00 0.00 0.00 47.33 46.68 1u76 h GLY 142 CO 0.03 0.63 -0.07 -2.09 0.00 0.00 0.00 176.54 175.05 1u76 h GLU 143 N 1.15 0.49 -0.01 4.80 4.81 -1.88 -0.14 114.58 123.80 1u76 h GLU 143 Ca 0.27 -0.19 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1u76 h GLU 143 Cb 0.20 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1u76 h GLU 143 CO -0.02 0.72 -0.05 0.35 -0.73 0.00 0.00 179.01 179.28 1u76 h PHE 144 N 0.24 -0.11 -0.24 0.92 3.57 -1.07 0.12 116.94 120.37 1u76 h PHE 144 Ca 0.06 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.63 1u76 h PHE 144 Cb 0.54 0.05 -0.07 0.00 2.79 0.00 0.00 35.95 39.26 1u76 h PHE 144 CO 0.05 -0.07 -0.22 0.00 -2.23 0.00 0.00 178.31 175.83 1u76 h ALA 145 N 0.93 -0.10 -0.41 2.41 0.00 -0.57 -1.59 119.26 119.93 1u76 h ALA 145 Ca 0.02 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1u76 h ALA 145 Cb 0.11 0.47 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1u76 h ALA 145 CO -0.06 -0.65 0.14 -0.09 0.00 0.00 0.00 179.25 178.60 1u76 h ARG 146 N -0.23 0.30 -0.51 0.00 9.65 -0.61 -0.99 114.38 121.99 1u76 h ARG 146 Ca 0.14 -0.02 0.10 0.00 -1.10 0.00 0.00 59.98 59.10 1u76 h ARG 146 Cb 0.44 -0.07 -0.09 0.00 -1.39 0.00 0.00 29.97 28.86 1u76 h ARG 146 CO -0.38 0.20 -0.03 0.82 2.80 0.00 0.00 179.97 183.38 1u76 h ILE 147 N 0.31 0.57 -0.01 1.20 2.04 -0.25 0.18 117.51 121.54 1u76 h ILE 147 Ca 0.19 -0.03 -0.07 0.00 1.00 0.00 0.00 64.86 65.95 1u76 h ILE 147 Cb 0.18 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 1u76 h ILE 147 CO -0.20 0.01 -0.32 0.00 0.00 0.00 0.00 178.15 177.64 1u76 h ARG 149 N 0.02 0.47 0.49 0.00 2.43 0.14 -2.96 114.38 114.97 1u76 h ARG 149 Ca -0.00 -0.52 -0.02 0.00 -0.81 0.00 0.00 59.98 58.63 1u76 h ARG 149 Cb 0.58 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1u76 h ARG 149 CO 0.04 1.17 -0.40 -0.44 -1.51 0.00 0.00 179.97 178.83 1u76 h ASP 150 N -0.02 -1.06 -0.79 -3.80 3.32 -0.42 -2.27 116.42 111.39 1u76 h ASP 150 Ca -0.09 0.07 0.19 0.00 0.02 0.00 0.00 57.03 57.22 1u76 h ASP 150 Cb 1.43 0.33 -0.05 0.00 0.22 0.00 0.00 39.33 41.26 1u76 h ASP 150 CO 0.14 -0.56 0.54 -0.07 -1.72 0.00 0.00 179.24 177.57 1u76 h LEU 151 N -0.86 0.26 -2.20 1.55 3.38 -1.46 0.20 115.31 116.18 1u76 h LEU 151 Ca -0.06 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1u76 h LEU 151 Cb 0.72 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1u76 h LEU 151 CO 0.00 0.12 0.27 0.28 0.09 0.00 0.00 178.44 179.20 1u76 h SER 152 N 0.27 0.00 1.04 -0.43 0.02 -1.22 0.45 113.55 113.68 1u76 h SER 152 Ca 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 1u76 h SER 152 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1u76 h SER 152 CO -0.10 0.00 -0.65 0.45 -1.14 0.00 0.00 176.83 175.39 1u76 h HIS 153 N 0.00 0.00 0.00 3.45 3.86 -0.98 -3.38 115.15 118.11 1u76 h HIS 153 Ca 0.01 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.99 1u76 h HIS 153 Cb 0.54 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.98 1u76 h HIS 153 CO 0.00 0.00 -1.28 -0.89 0.86 0.00 0.00 177.93 176.62 1u76 n ILE 154 N -2.38 1.53 -3.83 2.45 2.08 0.15 -4.98 119.36 114.37 1u76 n ILE 154 Ca 0.02 -0.03 -0.10 0.00 0.56 0.00 0.00 62.75 63.21 1u76 n ILE 154 Cb 0.48 -2.06 0.00 0.00 -0.75 0.00 0.00 39.64 37.31 1u76 n ILE 154 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1u76 n GLY 155 N 1.44 1.64 0.11 7.39 0.00 -0.79 -3.28 105.19 111.69 1u76 n GLY 155 Ca -0.32 -1.40 -0.16 0.00 0.00 0.00 0.00 46.02 44.15 1u76 n GLY 155 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1u76 h ASP 156 N 1.73 0.36 -2.66 1.61 2.03 -1.87 -3.39 116.42 114.23 1u76 h ASP 156 Ca -0.27 -0.47 -0.60 0.00 -0.73 0.00 0.00 57.03 54.96 1u76 h ASP 156 Cb 1.06 -0.12 -0.12 0.00 -0.83 0.00 0.00 39.33 39.32 1u76 h ASP 156 CO 0.35 1.39 -0.69 0.00 -1.03 0.00 0.00 179.24 179.26 1u76 s ALA 157 N -2.63 3.03 -0.07 4.15 0.00 -1.26 -0.88 121.76 124.10 1u76 s ALA 157 Ca -0.07 -1.55 0.04 0.00 0.00 0.00 0.00 51.96 50.37 1u76 s ALA 157 Cb 0.07 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.45 1u76 s ALA 157 CO 0.86 0.39 -0.18 0.54 0.00 0.00 0.00 175.76 177.36 1u76 s VAL 158 N -1.97 1.55 -0.31 0.00 0.11 0.14 -4.49 120.40 115.43 1u76 s VAL 158 Ca 0.28 -0.75 -0.17 0.00 -2.93 0.00 0.00 61.98 58.41 1u76 s VAL 158 Cb -0.08 -1.36 -0.02 0.00 -1.53 0.00 0.00 36.38 33.40 1u76 s VAL 158 CO 0.17 0.45 0.45 -0.69 -3.33 0.00 0.00 175.10 172.14 1u76 s VAL 159 N 0.33 5.10 -0.48 2.04 1.01 0.03 -1.10 120.40 127.33 1u76 s VAL 159 Ca -0.12 0.44 -0.16 0.00 0.00 0.00 0.00 61.98 62.14 1u76 s VAL 159 Cb -0.15 -3.84 0.07 0.00 0.00 0.00 0.00 36.38 32.46 1u76 s VAL 159 CO 0.05 -0.04 0.43 -0.63 0.00 0.00 0.00 175.10 174.91 1u76 s ILE 160 N 2.22 5.17 -0.27 2.22 1.01 0.41 -1.67 121.20 130.30 1u76 s ILE 160 Ca 0.17 -0.95 -0.09 0.00 0.00 0.00 0.00 60.65 59.78 1u76 s ILE 160 Cb -0.16 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.13 1u76 s ILE 160 CO 0.11 -0.61 0.12 -0.44 0.00 0.00 0.00 174.94 174.12 1u76 s SER 161 N 2.58 5.47 -0.20 3.58 0.01 0.17 -2.31 113.70 123.01 1u76 s SER 161 Ca 0.06 -0.17 -0.03 0.00 1.31 0.00 0.00 55.95 57.13 1u76 s SER 161 Cb -0.23 -2.00 -0.01 0.00 0.21 0.00 0.00 66.02 63.99 1u76 s SER 161 CO 0.08 -0.05 -0.08 0.00 0.41 0.00 0.00 173.24 173.59 1u76 n ALA 163 N 4.49 0.00 0.19 0.00 0.00 -0.54 -1.29 120.51 123.36 1u76 n ALA 163 Ca -0.19 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.17 1u76 n ALA 163 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 1u76 n ALA 163 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1u76 h LYS 164 N 0.00 -0.51 0.78 0.00 1.63 -1.97 -3.38 116.57 113.12 1u76 h LYS 164 Ca 0.00 0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.80 1u76 h LYS 164 Cb 0.00 0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 31.74 1u76 h LYS 164 CO 0.00 -0.34 -0.48 0.38 -3.45 0.00 0.00 179.45 175.56 1u76 h ASP 165 N -0.90 -1.21 -1.24 4.20 2.03 -1.98 -3.46 116.42 113.86 1u76 h ASP 165 Ca -0.05 0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.31 1u76 h ASP 165 Cb 0.40 0.35 0.00 0.00 -0.83 0.00 0.00 39.33 39.26 1u76 h ASP 165 CO 0.09 -0.74 0.00 0.61 -1.03 0.00 0.00 179.24 178.17 1u76 n GLY 166 N -1.61 3.38 3.50 7.15 0.00 -1.26 -3.65 105.19 112.70 1u76 n GLY 166 Ca -0.14 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 1u76 n GLY 166 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u76 s VAL 167 N -2.31 2.90 -0.03 1.61 0.11 -0.27 -1.47 120.40 120.93 1u76 s VAL 167 Ca 0.00 -1.47 0.01 0.00 -2.93 0.00 0.00 61.98 57.59 1u76 s VAL 167 Cb 0.00 -2.33 0.02 0.00 -1.53 0.00 0.00 36.38 32.54 1u76 s VAL 167 CO 0.00 0.11 -0.03 -0.75 -3.33 0.00 0.00 175.10 171.09 1u76 s LYS 168 N -2.13 0.57 -0.05 1.54 2.20 0.27 -1.37 119.74 120.77 1u76 s LYS 168 Ca 0.18 -0.07 0.02 0.00 -0.36 0.00 0.00 55.97 55.74 1u76 s LYS 168 Cb -0.11 -0.62 -0.03 0.00 -1.51 0.00 0.00 37.83 35.56 1u76 s LYS 168 CO 0.10 -0.05 -0.07 -0.06 -0.36 0.00 0.00 175.35 174.91 1u76 s PHE 169 N 0.71 2.91 0.00 4.03 0.40 -0.68 0.45 117.98 125.79 1u76 s PHE 169 Ca -0.08 -0.00 -0.23 0.00 -0.60 0.00 0.00 56.93 56.01 1u76 s PHE 169 Cb -0.12 -1.68 0.05 0.00 0.51 0.00 0.00 43.02 41.79 1u76 s PHE 169 CO -0.00 0.34 0.52 -1.54 0.70 0.00 0.00 175.22 175.23 1u76 s SER 170 N -0.98 -0.45 0.24 1.36 1.04 -0.67 -0.66 113.70 113.59 1u76 s SER 170 Ca 0.14 0.31 -0.07 0.00 0.48 0.00 0.00 55.95 56.80 1u76 s SER 170 Cb -0.11 0.47 -0.02 0.00 0.10 0.00 0.00 66.02 66.46 1u76 s SER 170 CO 0.03 -0.63 0.35 0.00 0.98 0.00 0.00 173.24 173.97 1u76 s ALA 171 N -1.84 0.38 0.01 5.32 0.00 -0.61 -0.79 121.76 124.24 1u76 s ALA 171 Ca -0.09 -1.24 -0.21 0.00 0.00 0.00 0.00 51.96 50.42 1u76 s ALA 171 Cb -0.01 1.20 0.05 0.00 0.00 0.00 0.00 23.12 24.35 1u76 s ALA 171 CO 0.03 -0.75 0.48 -1.54 0.00 0.00 0.00 175.76 173.98 1u76 s SER 172 N -3.09 -0.39 0.00 0.00 1.04 -1.26 -1.76 113.70 108.23 1u76 s SER 172 Ca 0.29 0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.94 1u76 s SER 172 Cb 0.02 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1u76 s SER 172 CO 0.11 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.32 1u76 n GLY 173 N 0.72 2.33 0.18 7.32 0.00 0.93 -4.25 105.19 112.42 1u76 n GLY 173 Ca -0.19 -0.65 -0.06 0.00 0.00 0.00 0.00 46.02 45.12 1u76 n GLY 173 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1u76 h GLU 174 N 0.00 -0.06 -1.93 1.61 5.08 -1.98 -2.71 114.58 114.59 1u76 h GLU 174 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.99 1u76 h GLU 174 Cb 0.00 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 29.13 1u76 h GLU 174 CO 0.00 -0.04 0.19 1.47 -1.00 0.00 0.00 179.01 179.63 1u76 n LEU 175 N -5.31 6.13 0.00 1.33 -0.00 -1.26 -4.99 117.00 112.91 1u76 n LEU 175 Ca 0.01 -3.67 0.00 0.00 -0.00 0.00 0.00 56.01 52.35 1u76 n LEU 175 Cb 0.22 -1.25 0.00 0.00 -0.00 0.00 0.00 43.42 42.39 1u76 n LEU 175 CO 0.17 1.62 0.00 0.61 -0.00 0.00 0.00 177.39 179.78 1u76 n GLY 176 N 1.21 -0.10 3.59 1.47 0.00 -1.02 -4.99 105.19 105.35 1u76 n GLY 176 Ca 0.43 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 1u76 n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u76 s ASN 177 N -4.00 -0.16 0.29 1.61 2.20 -1.26 -0.05 114.94 113.58 1u76 s ASN 177 Ca 0.00 -0.74 -0.20 0.00 -0.94 0.00 0.00 52.86 50.99 1u76 s ASN 177 Cb 0.00 0.59 0.02 0.00 -2.00 0.00 0.00 41.25 39.87 1u76 s ASN 177 CO 0.00 -1.13 0.71 -0.83 -2.94 0.00 0.00 177.10 172.91 1u76 s GLY 178 N -2.95 0.03 -0.02 0.45 0.00 -0.72 -5.00 107.32 99.11 1u76 s GLY 178 Ca 0.16 -0.42 -0.25 0.00 0.00 0.00 0.00 44.72 44.22 1u76 s GLY 178 CO 0.04 -0.16 0.54 0.54 0.00 0.00 0.00 173.10 174.06 1u76 s ASN 179 N -2.95 -0.48 -0.08 1.64 2.20 -1.26 -1.57 114.94 112.44 1u76 s ASN 179 Ca 0.13 0.43 0.04 0.00 -0.94 0.00 0.00 52.86 52.52 1u76 s ASN 179 Cb -0.05 0.46 -0.01 0.00 -2.00 0.00 0.00 41.25 39.65 1u76 s ASN 179 CO 0.08 -0.58 -0.21 -0.63 -2.94 0.00 0.00 177.10 172.81 1u76 s ILE 180 N -1.48 2.39 -0.16 0.54 1.01 0.17 -4.97 121.20 118.71 1u76 s ILE 180 Ca -0.11 -0.93 -0.00 0.00 0.00 0.00 0.00 60.65 59.61 1u76 s ILE 180 Cb -0.02 -1.92 -0.00 0.00 0.01 0.00 0.00 42.46 40.53 1u76 s ILE 180 CO 0.06 0.56 -0.14 -0.54 0.00 0.00 0.00 174.94 174.88 1u76 s LYS 181 N -0.06 3.26 -0.06 2.79 1.02 -1.26 -1.69 119.74 123.74 1u76 s LYS 181 Ca -0.05 -0.73 0.01 0.00 0.02 0.00 0.00 55.97 55.22 1u76 s LYS 181 Cb -0.14 -2.66 -0.03 0.00 -0.52 0.00 0.00 37.83 34.48 1u76 s LYS 181 CO 0.04 0.03 -0.08 -0.51 -0.92 0.00 0.00 175.35 173.92 1u76 s LEU 182 N 0.79 3.11 0.09 3.17 1.43 -0.47 -5.01 118.68 121.79 1u76 s LEU 182 Ca -0.05 -0.05 0.06 0.00 -1.03 0.00 0.00 54.13 53.05 1u76 s LEU 182 Cb -0.15 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 1u76 s LEU 182 CO 0.00 0.36 -0.15 -0.44 0.23 0.00 0.00 176.35 176.35 1u76 s SER 183 N -0.84 1.87 0.80 2.29 0.01 -1.26 -1.11 113.70 115.46 1u76 s SER 183 Ca 0.13 -0.68 -0.14 0.00 1.31 0.00 0.00 55.95 56.57 1u76 s SER 183 Cb -0.11 -0.07 0.08 0.00 0.21 0.00 0.00 66.02 66.13 1u76 s SER 183 CO 0.02 -0.08 1.21 -1.10 0.41 0.00 0.00 173.24 173.70 1u76 s GLN 184 N -2.01 1.69 0.94 12.44 -0.21 -1.24 -4.73 119.66 126.54 1u76 s GLN 184 Ca 0.02 1.77 -0.12 0.00 0.02 0.00 0.00 55.36 57.05 1u76 s GLN 184 Cb -0.09 -1.78 0.15 0.00 1.00 0.00 0.00 33.01 32.30 1u76 s GLN 184 CO 0.03 -2.18 1.09 -0.08 -2.12 0.00 0.00 175.29 172.03 1u76 s THR 185 N -2.11 2.39 0.00 -0.19 -1.32 -1.08 -4.98 115.64 108.36 1u76 s THR 185 Ca 0.74 0.13 0.00 0.00 -1.21 0.00 0.00 61.69 61.34 1u76 s THR 185 Cb -0.29 -2.63 0.00 0.00 -1.51 0.00 0.00 72.50 68.07 1u76 s THR 185 CO 0.50 -0.17 0.37 -0.24 -2.21 0.00 0.00 174.62 172.88 1u76 n SER 186 N -4.00 0.00 0.00 8.08 2.88 -1.26 -5.07 113.62 114.26 1u76 n SER 186 Ca 0.06 -1.14 0.00 0.00 -1.33 0.00 0.00 58.87 56.46 1u76 n SER 186 Cb 0.56 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1u76 n SER 186 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1u76 n GLU 193 N 0.00 0.00 -2.64 -1.46 1.02 -1.26 -5.27 120.64 111.02 1u76 n GLU 193 Ca 0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.90 1u76 n GLU 193 Cb 0.53 -0.10 0.03 0.00 -0.02 0.00 0.00 31.44 31.87 1u76 n GLU 193 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1u76 s ALA 194 N -0.01 3.55 -0.17 0.62 0.00 -1.26 -4.82 121.76 119.67 1u76 s ALA 194 Ca 0.00 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.02 1u76 s ALA 194 Cb 0.00 -2.35 0.03 0.00 0.00 0.00 0.00 23.12 20.81 1u76 s ALA 194 CO 0.00 -0.67 -0.12 0.08 0.00 0.00 0.00 175.76 175.05 1u76 s VAL 195 N -2.81 1.60 -0.03 0.00 1.01 -1.26 -4.23 120.40 114.67 1u76 s VAL 195 Ca 0.53 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1u76 s VAL 195 Cb -0.10 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 1u76 s VAL 195 CO 0.41 0.31 -0.07 0.42 0.00 0.00 0.00 175.10 176.17 1u76 s THR 196 N 1.45 3.68 -0.03 3.92 -4.23 -0.83 -2.63 115.64 116.97 1u76 s THR 196 Ca 0.02 -0.65 0.03 0.00 -1.18 0.00 0.00 61.69 59.91 1u76 s THR 196 Cb -0.15 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.14 1u76 s THR 196 CO -0.09 0.48 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.74 1u76 s ILE 197 N -0.92 0.86 -0.48 2.99 1.01 -1.26 -1.21 121.20 122.19 1u76 s ILE 197 Ca 0.15 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.43 1u76 s ILE 197 Cb -0.11 -0.76 0.13 0.00 0.01 0.00 0.00 42.46 41.73 1u76 s ILE 197 CO 0.05 0.26 0.23 -1.61 0.00 0.00 0.00 174.94 173.88 1u76 s GLU 198 N 0.15 1.69 -0.38 2.79 2.02 -0.55 -4.98 118.70 119.45 1u76 s GLU 198 Ca -0.03 -2.34 -0.11 0.00 0.02 0.00 0.00 54.97 52.51 1u76 s GLU 198 Cb -0.09 -2.97 0.03 0.00 0.10 0.00 0.00 34.13 31.20 1u76 s GLU 198 CO 0.01 -1.11 0.21 1.41 0.02 0.00 0.00 175.26 175.80 1u76 s MET 199 N 0.04 2.87 -0.11 1.61 1.75 -1.26 -2.42 119.30 121.77 1u76 s MET 199 Ca 0.17 -1.06 0.16 0.00 -1.25 0.00 0.00 55.69 53.71 1u76 s MET 199 Cb -0.25 -3.75 -0.24 0.00 2.84 0.00 0.00 34.83 33.43 1u76 s MET 199 CO -0.01 -0.69 0.36 0.09 -0.65 0.00 0.00 175.02 174.12 1u76 n ASN 200 N 5.01 0.37 -3.69 1.11 3.02 0.83 -4.91 115.26 117.00 1u76 n ASN 200 Ca -0.12 0.18 -0.12 0.00 -0.03 0.00 0.00 54.58 54.49 1u76 n ASN 200 Cb 0.46 0.62 -0.12 0.00 -0.61 0.00 0.00 39.78 40.12 1u76 n ASN 200 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1u76 s GLU 201 N -2.62 0.22 0.31 3.52 2.02 -1.23 -5.09 118.70 115.83 1u76 s GLU 201 Ca -0.07 0.69 -0.29 0.00 0.02 0.00 0.00 54.97 55.32 1u76 s GLU 201 Cb 0.07 -0.04 -0.13 0.00 0.10 0.00 0.00 34.13 34.14 1u76 s GLU 201 CO 0.83 -0.21 1.31 -2.30 0.02 0.00 0.00 175.26 174.91 1u76 n PRO 202 N 4.73 2.08 -4.21 0.39 -0.02 -1.26 -4.61 135.00 132.09 1u76 n PRO 202 Ca -0.17 0.73 -0.15 0.00 -2.02 0.00 0.00 63.50 61.90 1u76 n PRO 202 Cb 0.52 -2.33 -0.11 0.00 -0.02 0.00 0.00 33.50 31.57 1u76 n PRO 202 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1u76 s VAL 203 N -0.80 1.07 -0.15 -1.45 1.01 -0.41 -4.97 120.40 114.70 1u76 s VAL 203 Ca 0.59 -1.81 -0.05 0.00 0.00 0.00 0.00 61.98 60.71 1u76 s VAL 203 Cb -0.59 -1.56 0.07 0.00 0.00 0.00 0.00 36.38 34.29 1u76 s VAL 203 CO 0.59 -0.61 0.30 -1.58 0.00 0.00 0.00 175.10 173.80 1u76 s GLN 204 N -3.14 0.20 0.00 2.72 0.74 -1.26 -0.78 119.66 118.15 1u76 s GLN 204 Ca 0.10 0.80 -0.06 0.00 0.05 0.00 0.00 55.36 56.26 1u76 s GLN 204 Cb -0.01 0.05 -0.00 0.00 1.10 0.00 0.00 33.01 34.15 1u76 s GLN 204 CO 0.00 -0.26 0.11 -0.51 -0.55 0.00 0.00 175.29 174.08 1u76 s LEU 205 N 2.33 1.67 -0.19 3.68 1.43 -0.98 -4.90 118.68 121.73 1u76 s LEU 205 Ca -0.01 -0.21 -0.06 0.00 -1.03 0.00 0.00 54.13 52.82 1u76 s LEU 205 Cb -0.12 0.55 -0.03 0.00 0.03 0.00 0.00 46.19 46.62 1u76 s LEU 205 CO -0.10 -0.33 0.03 -0.89 0.23 0.00 0.00 176.35 175.30 1u76 s THR 206 N -1.26 4.43 0.13 5.49 2.01 -1.26 -0.45 115.64 124.74 1u76 s THR 206 Ca -0.13 -0.16 0.04 0.00 0.31 0.00 0.00 61.69 61.75 1u76 s THR 206 Cb -0.07 -2.99 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 1u76 s THR 206 CO 0.01 0.45 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.93 1u76 s PHE 207 N 0.58 1.19 -0.21 4.92 0.08 -0.26 -0.97 117.98 123.30 1u76 s PHE 207 Ca 0.01 -0.74 -0.23 0.00 0.12 0.00 0.00 56.93 56.10 1u76 s PHE 207 Cb -0.13 -0.62 -0.02 0.00 -0.57 0.00 0.00 43.02 41.68 1u76 s PHE 207 CO 0.02 0.04 0.72 0.00 -0.10 0.00 0.00 175.22 175.90 1u76 s ALA 208 N -3.08 3.58 0.53 5.36 0.00 -1.26 0.24 121.76 127.12 1u76 s ALA 208 Ca 0.13 -0.21 0.26 0.00 0.00 0.00 0.00 51.96 52.14 1u76 s ALA 208 Cb 0.01 -3.11 1.58 0.00 0.00 0.00 0.00 23.12 21.60 1u76 s ALA 208 CO -0.00 -0.71 2.17 -0.07 0.00 0.00 0.00 175.76 177.15 1u76 h LEU 209 N 8.60 0.00 -0.64 0.00 3.38 -1.33 -2.16 115.31 123.15 1u76 h LEU 209 Ca -0.28 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.77 1u76 h LEU 209 Cb 1.12 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.81 1u76 h LEU 209 CO 0.81 0.05 0.31 -0.09 0.09 0.00 0.00 178.44 179.61 1u76 h ARG 210 N 0.00 0.55 0.15 1.13 2.43 -1.92 0.92 114.38 117.63 1u76 h ARG 210 Ca -0.00 -0.03 -0.29 0.00 -0.81 0.00 0.00 59.98 58.85 1u76 h ARG 210 Cb 0.11 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1u76 h ARG 210 CO 0.01 0.36 -1.35 1.88 -1.51 0.00 0.00 179.97 179.36 1u76 h TYR 211 N 0.56 0.56 -0.71 2.20 -1.99 -1.78 -3.08 116.97 112.73 1u76 h TYR 211 Ca 0.31 -0.41 0.02 0.00 2.00 0.00 0.00 58.73 60.65 1u76 h TYR 211 Cb 0.29 -0.02 -0.04 0.00 2.00 0.00 0.00 36.73 38.96 1u76 h TYR 211 CO -0.11 1.35 0.47 -0.07 -0.00 0.00 0.00 178.16 179.80 1u76 h LEU 212 N 0.08 0.79 -1.72 3.88 3.38 -1.22 0.36 115.31 120.86 1u76 h LEU 212 Ca -0.18 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1u76 h LEU 212 Cb 2.01 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.57 1u76 h LEU 212 CO 0.21 0.56 -0.15 0.78 0.09 0.00 0.00 178.44 179.92 1u76 h ASN 213 N 0.92 0.00 0.05 -0.43 2.35 -0.76 -1.73 115.58 115.98 1u76 h ASN 213 Ca 0.27 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.78 1u76 h ASN 213 Cb -0.04 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.36 1u76 h ASN 213 CO -0.07 0.15 -0.98 -0.26 -1.65 0.00 0.00 177.43 174.63 1u76 h PHE 214 N 0.00 0.89 -0.96 1.19 0.04 -0.90 -3.23 116.94 113.96 1u76 h PHE 214 Ca -0.00 -0.52 0.08 0.00 2.80 0.00 0.00 57.97 60.33 1u76 h PHE 214 Cb 0.44 -0.09 -0.07 0.00 2.20 0.00 0.00 35.95 38.43 1u76 h PHE 214 CO 0.00 1.36 0.62 0.74 -0.60 0.00 0.00 178.31 180.43 1u76 h PHE 215 N 0.16 1.12 0.00 -0.55 0.04 -0.55 -1.58 116.94 115.59 1u76 h PHE 215 Ca -0.14 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.66 1u76 h PHE 215 Cb 1.67 -0.37 0.00 0.00 2.20 0.00 0.00 35.95 39.45 1u76 h PHE 215 CO 0.13 0.56 0.00 0.25 -0.60 0.00 0.00 178.31 178.64 1u76 n THR 216 N -4.52 1.00 0.66 -1.55 -2.24 -0.71 -2.08 114.28 104.84 1u76 n THR 216 Ca 0.15 0.25 0.07 0.00 -2.27 0.00 0.00 64.05 62.25 1u76 n THR 216 Cb 0.23 -1.11 0.36 0.00 -2.10 0.00 0.00 70.33 67.71 1u76 n THR 216 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1u76 n LYS 217 N -1.35 0.19 0.00 -0.78 4.76 -0.59 -1.36 118.16 119.03 1u76 n LYS 217 Ca 0.03 0.16 0.12 0.00 -2.87 0.00 0.00 58.31 55.75 1u76 n LYS 217 Cb 0.08 -1.50 0.23 0.00 -1.84 0.00 0.00 35.03 32.00 1u76 n LYS 217 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u76 n ALA 218 N -1.30 3.51 -0.32 7.82 0.00 -0.88 -4.33 120.51 125.01 1u76 n ALA 218 Ca 0.07 -0.43 0.18 0.00 0.00 0.00 0.00 53.44 53.26 1u76 n ALA 218 Cb 0.12 -1.05 0.37 0.00 0.00 0.00 0.00 19.45 18.88 1u76 n ALA 218 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1u76 h THR 219 N 0.71 0.20 0.00 0.00 2.02 -1.44 0.50 112.91 114.89 1u76 h THR 219 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1u76 h THR 219 Cb 0.53 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1u76 h THR 219 CO 0.00 0.03 0.00 -0.81 0.37 0.00 0.00 175.52 175.11 1u76 n PRO 220 N -5.26 0.41 0.03 6.66 -0.04 -1.26 -2.32 135.00 133.22 1u76 n PRO 220 Ca 0.26 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.81 1u76 n PRO 220 Cb 0.85 -1.21 -0.10 0.00 -0.04 0.00 0.00 33.50 33.01 1u76 n PRO 220 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1u76 n LEU 221 N -0.71 0.43 -3.64 1.53 4.77 0.17 -4.98 117.00 114.57 1u76 n LEU 221 Ca 0.04 0.17 -0.15 0.00 -0.03 0.00 0.00 56.01 56.04 1u76 n LEU 221 Cb 0.02 0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.06 1u76 n LEU 221 CO 0.03 -0.02 0.26 -0.55 -1.33 0.00 0.00 177.39 175.78 1u76 s SER 222 N -5.06 -0.50 0.33 -1.43 0.15 -0.98 -4.67 113.70 101.55 1u76 s SER 222 Ca -0.05 0.66 0.08 0.00 0.70 0.00 0.00 55.95 57.34 1u76 s SER 222 Cb 0.11 0.66 0.60 0.00 -1.71 0.00 0.00 66.02 65.68 1u76 s SER 222 CO 0.85 -0.43 1.79 0.28 1.20 0.00 0.00 173.24 176.93 1u76 h SER 223 N 3.96 0.23 -3.18 5.45 0.02 -1.91 -3.41 113.55 114.72 1u76 h SER 223 Ca -0.28 -0.08 -0.46 0.00 -0.84 0.00 0.00 61.79 60.13 1u76 h SER 223 Cb 1.16 -0.06 -0.14 0.00 0.14 0.00 0.00 62.40 63.50 1u76 h SER 223 CO 0.32 0.53 -0.67 0.42 -1.14 0.00 0.00 176.83 176.29 1u76 s THR 224 N -4.39 1.46 -0.03 -2.27 -4.23 -1.26 -0.37 115.64 104.55 1u76 s THR 224 Ca -0.05 -2.09 -0.07 0.00 -1.18 0.00 0.00 61.69 58.30 1u76 s THR 224 Cb 0.14 -2.45 0.01 0.00 1.34 0.00 0.00 72.50 71.55 1u76 s THR 224 CO 0.75 -0.29 0.18 0.54 -0.54 0.00 0.00 174.62 175.26 1u76 s VAL 225 N -3.13 0.04 -0.05 2.29 0.11 -0.28 -4.51 120.40 114.87 1u76 s VAL 225 Ca 0.30 -0.34 0.04 0.00 -2.93 0.00 0.00 61.98 59.05 1u76 s VAL 225 Cb 0.05 -0.37 -0.02 0.00 -1.53 0.00 0.00 36.38 34.50 1u76 s VAL 225 CO 0.11 -0.19 -0.16 0.42 -3.33 0.00 0.00 175.10 171.96 1u76 s THR 226 N -0.66 2.92 -0.16 5.04 -4.23 -0.94 -1.69 115.64 115.93 1u76 s THR 226 Ca -0.07 -0.77 -0.02 0.00 -1.18 0.00 0.00 61.69 59.64 1u76 s THR 226 Cb -0.04 -2.13 -0.02 0.00 1.34 0.00 0.00 72.50 71.64 1u76 s THR 226 CO 0.01 0.59 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.83 1u76 s LEU 227 N -0.63 2.90 -0.23 4.79 1.43 0.18 -2.13 118.68 124.99 1u76 s LEU 227 Ca 0.09 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 1u76 s LEU 227 Cb -0.11 -1.69 0.05 0.00 0.03 0.00 0.00 46.19 44.48 1u76 s LEU 227 CO 0.01 0.13 -0.11 -0.44 0.23 0.00 0.00 176.35 176.17 1u76 s SER 228 N 0.58 3.95 0.44 2.29 0.01 0.26 -0.03 113.70 121.20 1u76 s SER 228 Ca -0.06 -1.16 0.06 0.00 1.31 0.00 0.00 55.95 56.10 1u76 s SER 228 Cb -0.15 -1.40 -0.05 0.00 0.21 0.00 0.00 66.02 64.63 1u76 s SER 228 CO 0.03 -0.17 0.07 -0.04 0.41 0.00 0.00 173.24 173.54 1u76 s MET 229 N 1.25 2.09 -0.23 12.44 -1.94 -0.54 -0.96 119.30 131.41 1u76 s MET 229 Ca -0.05 -2.12 -0.29 0.00 -1.71 0.00 0.00 55.69 51.51 1u76 s MET 229 Cb -0.18 -1.71 0.16 0.00 2.01 0.00 0.00 34.83 35.11 1u76 s MET 229 CO -0.07 -0.17 1.19 0.45 -0.01 0.00 0.00 175.02 176.41 1u76 s SER 230 N -3.83 -0.20 0.14 3.03 0.15 -1.26 -2.26 113.70 109.48 1u76 s SER 230 Ca 0.29 0.22 -0.35 0.00 0.70 0.00 0.00 55.95 56.81 1u76 s SER 230 Cb 0.06 0.17 -0.15 0.00 -1.71 0.00 0.00 66.02 64.39 1u76 s SER 230 CO 0.15 -0.18 1.49 0.00 1.20 0.00 0.00 173.24 175.90 1u76 n ALA 231 N 0.65 0.55 -3.88 5.45 0.00 -1.26 -3.07 120.51 118.96 1u76 n ALA 231 Ca -0.05 0.47 -0.28 0.00 0.00 0.00 0.00 53.44 53.58 1u76 n ALA 231 Cb 0.58 -2.25 -0.00 0.00 0.00 0.00 0.00 19.45 17.78 1u76 n ALA 231 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1u76 n ASP 232 N 3.04 -1.79 -3.63 0.00 2.03 -1.26 -4.99 116.55 109.96 1u76 n ASP 232 Ca 0.17 -1.01 -0.10 0.00 0.52 0.00 0.00 54.79 54.36 1u76 n ASP 232 Cb 0.26 -3.13 -0.04 0.00 -0.72 0.00 0.00 41.12 37.49 1u76 n ASP 232 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1u76 s VAL 233 N -3.80 0.06 0.30 5.18 -7.23 -1.17 -5.10 120.40 108.63 1u76 s VAL 233 Ca 0.14 -0.55 -0.30 0.00 -1.81 0.00 0.00 61.98 59.46 1u76 s VAL 233 Cb -0.06 -1.20 -0.11 0.00 0.56 0.00 0.00 36.38 35.57 1u76 s VAL 233 CO 0.88 -0.26 1.58 -2.84 -0.31 0.00 0.00 175.10 174.15 1u76 s PRO 234 N -3.81 4.12 0.38 4.82 0.02 -1.26 -4.59 135.00 134.69 1u76 s PRO 234 Ca 0.04 2.57 -0.25 0.00 0.02 0.00 0.00 61.00 63.38 1u76 s PRO 234 Cb 0.01 -3.02 -0.09 0.00 0.02 0.00 0.00 34.50 31.43 1u76 s PRO 234 CO -0.11 -0.62 1.10 -1.17 -0.33 0.00 0.00 177.00 175.87 1u76 s LEU 235 N -0.63 4.22 -0.18 -5.54 2.96 -0.17 -4.78 118.68 114.56 1u76 s LEU 235 Ca 0.62 2.18 -0.03 0.00 -0.22 0.00 0.00 54.13 56.68 1u76 s LEU 235 Cb -0.48 -4.05 -0.01 0.00 0.50 0.00 0.00 46.19 42.15 1u76 s LEU 235 CO 0.49 -0.51 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.26 1u76 s VAL 236 N -1.50 3.43 -0.23 1.68 1.01 -0.13 -1.52 120.40 123.14 1u76 s VAL 236 Ca 0.56 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1u76 s VAL 236 Cb -0.26 -2.52 0.03 0.00 0.00 0.00 0.00 36.38 33.63 1u76 s VAL 236 CO 0.33 0.46 -0.12 -0.69 0.00 0.00 0.00 175.10 175.09 1u76 s VAL 237 N 0.97 2.43 -0.05 2.92 1.01 0.18 -0.57 120.40 127.28 1u76 s VAL 237 Ca -0.00 -1.18 0.03 0.00 0.00 0.00 0.00 61.98 60.83 1u76 s VAL 237 Cb -0.15 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1u76 s VAL 237 CO 0.00 0.23 -0.14 -0.70 0.00 0.00 0.00 175.10 174.50 1u76 s GLU 238 N 1.25 1.66 -0.16 2.72 2.12 -0.91 0.13 118.70 125.52 1u76 s GLU 238 Ca -0.01 -0.49 0.00 0.00 0.36 0.00 0.00 54.97 54.83 1u76 s GLU 238 Cb -0.17 -1.42 -0.00 0.00 0.26 0.00 0.00 34.13 32.81 1u76 s GLU 238 CO -0.07 0.13 -0.15 0.71 -0.54 0.00 0.00 175.26 175.35 1u76 s TYR 239 N 0.32 2.79 0.29 5.30 1.51 -0.28 -2.21 117.35 125.07 1u76 s TYR 239 Ca -0.09 -1.01 -0.23 0.00 -1.01 0.00 0.00 57.07 54.74 1u76 s TYR 239 Cb -0.13 -1.89 -0.09 0.00 -0.11 0.00 0.00 41.96 39.73 1u76 s TYR 239 CO 0.03 -0.46 0.85 0.15 -1.11 0.00 0.00 175.55 175.01 1u76 s LYS 240 N 0.81 4.40 -0.76 -0.62 -0.14 -1.26 -1.35 119.74 120.82 1u76 s LYS 240 Ca -0.05 1.10 0.03 0.00 -1.36 0.00 0.00 55.97 55.69 1u76 s LYS 240 Cb -0.15 -2.77 0.23 0.00 -1.68 0.00 0.00 37.83 33.45 1u76 s LYS 240 CO 0.00 0.30 0.76 -0.89 -0.76 0.00 0.00 175.35 174.75 1u76 n ILE 241 N 0.49 2.61 0.00 2.17 5.41 0.12 -4.36 119.36 125.80 1u76 n ILE 241 Ca 0.01 -5.17 0.00 0.00 1.00 0.00 0.00 62.75 58.59 1u76 n ILE 241 Cb 0.51 -2.19 0.00 0.00 -0.71 0.00 0.00 39.64 37.25 1u76 n ILE 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1u76 n ALA 242 N 1.55 0.00 -0.15 -1.39 0.00 -1.26 0.35 120.51 119.61 1u76 n ALA 242 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1u76 n ALA 242 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1u76 n ALA 242 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1u76 n ASP 243 N 0.00 0.00 -0.10 0.00 8.00 -1.26 -4.61 116.55 118.58 1u76 n ASP 243 Ca 0.00 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.27 1u76 n ASP 243 Cb 0.00 -1.71 -0.12 0.00 -0.02 0.00 0.00 41.12 39.27 1u76 n ASP 243 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1u76 n MET 244 N -1.87 0.63 0.00 -1.24 2.81 0.15 -3.18 117.12 114.42 1u76 n MET 244 Ca 0.00 0.32 0.00 0.00 -1.81 0.00 0.00 57.70 56.21 1u76 n MET 244 Cb 0.00 -1.61 0.00 0.00 -0.71 0.00 0.00 33.22 30.90 1u76 n MET 244 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u76 n GLY 245 N 1.68 -0.27 2.03 3.03 0.00 -0.82 0.17 105.19 111.00 1u76 n GLY 245 Ca -0.42 -0.27 -0.04 0.00 0.00 0.00 0.00 46.02 45.28 1u76 n GLY 245 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1u76 n HIS 246 N 0.00 -1.58 -3.62 1.61 1.44 0.11 -0.70 115.22 112.47 1u76 n HIS 246 Ca 0.00 -0.93 -0.19 0.00 -2.01 0.00 0.00 57.72 54.59 1u76 n HIS 246 Cb 0.00 0.46 -0.16 0.00 0.12 0.00 0.00 29.99 30.42 1u76 n HIS 246 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 1u76 s LEU 247 N 0.00 0.02 -0.07 2.39 2.96 -0.46 -0.51 118.68 123.02 1u76 s LEU 247 Ca 0.09 0.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.06 1u76 s LEU 247 Cb -0.02 0.14 -0.02 0.00 0.50 0.00 0.00 46.19 46.79 1u76 s LEU 247 CO 0.06 -0.28 -0.17 -0.54 -1.32 0.00 0.00 176.35 174.10 1u76 s LYS 248 N 2.25 2.73 -0.15 1.98 1.02 0.70 -1.13 119.74 127.14 1u76 s LYS 248 Ca 0.04 -0.75 0.02 0.00 0.02 0.00 0.00 55.97 55.30 1u76 s LYS 248 Cb -0.13 -2.38 0.01 0.00 -0.52 0.00 0.00 37.83 34.81 1u76 s LYS 248 CO -0.07 0.46 -0.21 0.71 -0.92 0.00 0.00 175.35 175.31 1u76 s TYR 249 N -0.31 2.71 -0.19 3.18 2.02 0.12 0.18 117.35 125.06 1u76 s TYR 249 Ca 0.02 -1.42 -0.05 0.00 -0.37 0.00 0.00 57.07 55.25 1u76 s TYR 249 Cb -0.13 -1.85 -0.03 0.00 -0.40 0.00 0.00 41.96 39.56 1u76 s TYR 249 CO 0.03 -0.66 0.01 0.71 -1.57 0.00 0.00 175.55 174.06 1u76 s TYR 250 N 0.95 3.08 -0.13 2.71 1.51 0.97 -0.65 117.35 125.79 1u76 s TYR 250 Ca -0.04 -0.29 0.03 0.00 -1.01 0.00 0.00 57.07 55.76 1u76 s TYR 250 Cb -0.15 -2.06 0.00 0.00 -0.11 0.00 0.00 41.96 39.65 1u76 s TYR 250 CO -0.05 -0.10 -0.21 -1.17 -1.11 0.00 0.00 175.55 172.91 1u76 s LEU 251 N 0.72 2.19 0.26 -1.29 2.96 -0.58 -0.76 118.68 122.19 1u76 s LEU 251 Ca 0.00 -0.55 -0.30 0.00 -0.22 0.00 0.00 54.13 53.07 1u76 s LEU 251 Cb -0.14 -1.46 -0.09 0.00 0.50 0.00 0.00 46.19 45.00 1u76 s LEU 251 CO 0.02 0.11 1.15 0.00 -1.32 0.00 0.00 176.35 176.32 1u76 s ALA 252 N 0.62 3.43 0.96 5.97 0.00 0.01 -1.00 121.76 131.74 1u76 s ALA 252 Ca -0.11 0.96 -0.15 0.00 0.00 0.00 0.00 51.96 52.66 1u76 s ALA 252 Cb -0.16 -3.37 0.17 0.00 0.00 0.00 0.00 23.12 19.76 1u76 s ALA 252 CO 0.03 -0.28 1.21 -1.25 0.00 0.00 0.00 175.76 175.47 1u76 s PRO 253 N -1.14 0.75 -0.18 0.00 0.04 -1.26 -4.84 135.00 128.36 1u76 s PRO 253 Ca 0.47 -0.07 -0.09 0.00 0.04 0.00 0.00 61.00 61.36 1u76 s PRO 253 Cb -0.33 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 1u76 s PRO 253 CO 0.41 -2.40 0.11 0.15 0.04 0.00 0.00 177.00 175.31 1u76 s LYS 254 N -5.59 4.01 0.16 4.56 1.02 -0.14 -5.02 119.74 118.74 1u76 s LYS 254 Ca 0.68 -0.25 0.02 0.00 0.02 0.00 0.00 55.97 56.44 1u76 s LYS 254 Cb -0.09 -3.32 -0.04 0.00 -0.52 0.00 0.00 37.83 33.87 1u76 s LYS 254 CO 0.53 0.36 0.30 0.42 -0.92 0.00 0.00 175.35 176.04 1u76 s ILE 255 N 0.16 5.31 -0.57 2.17 1.09 -1.26 -4.54 121.20 123.56 1u76 s ILE 255 Ca 0.08 -0.62 -0.21 0.00 -1.10 0.00 0.00 60.65 58.79 1u76 s ILE 255 Cb -0.12 -3.74 0.06 0.00 -1.06 0.00 0.00 42.46 37.61 1u76 s ILE 255 CO -0.01 -0.10 0.81 -1.83 -0.10 0.00 0.00 174.94 173.71 1u76 s GLU 256 N -3.23 3.16 -0.37 2.79 1.03 -1.26 -5.00 118.70 115.82 1u76 s GLU 256 Ca 0.35 -0.78 -0.28 0.00 0.03 0.00 0.00 54.97 54.29 1u76 s GLU 256 Cb -0.11 -4.15 -0.01 0.00 -0.80 0.00 0.00 34.13 29.06 1u76 s GLU 256 CO 0.29 -1.50 1.72 -0.51 -1.33 0.00 0.00 175.26 173.92 1u76 s ASP 257 N 3.14 5.94 -0.60 0.83 -0.00 -1.26 -4.93 116.67 119.79 1u76 s ASP 257 Ca 0.20 1.11 -0.24 0.00 -0.00 0.00 0.00 52.55 53.63 1u76 s ASP 257 Cb -0.18 -2.53 0.05 0.00 -0.00 0.00 0.00 42.92 40.26 1u76 s ASP 257 CO 0.12 -1.70 0.98 -1.61 -0.00 0.00 0.00 175.17 172.96 1u76 s GLU 258 N 5.61 3.25 0.00 8.23 2.02 -1.26 -5.35 118.70 131.20 1u76 s GLU 258 Ca 0.74 -0.43 0.00 0.00 0.02 0.00 0.00 54.97 55.31 1u76 s GLU 258 Cb -0.20 -4.12 0.00 0.00 0.10 0.00 0.00 34.13 29.92 1u76 s GLU 258 CO 0.32 -1.64 0.00 -0.85 0.02 0.00 0.00 175.26 173.11