#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yz0 n SER 2 N 0.00 0.20 -2.74 6.12 2.88 -1.26 -5.00 113.62 113.82 2yz0 n SER 2 Ca 0.00 -2.69 -0.05 0.00 -1.33 0.00 0.00 58.87 54.80 2yz0 n SER 2 Cb 0.00 -0.64 0.01 0.00 -0.75 0.00 0.00 64.21 62.83 2yz0 n SER 2 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2yz0 n LEU 3 N 1.45 -7.69 -3.31 2.46 7.99 -1.26 -5.04 117.00 111.59 2yz0 n LEU 3 Ca 0.21 0.78 -0.11 0.00 -0.01 0.00 0.00 56.01 56.89 2yz0 n LEU 3 Cb 0.53 -3.27 -0.06 0.00 -0.11 0.00 0.00 43.42 40.51 2yz0 n LEU 3 CO 0.18 -2.51 -0.08 -0.55 -1.51 0.00 0.00 177.39 172.92 2yz0 s SER 4 N -2.22 0.38 -0.19 -1.43 0.15 -1.26 -5.13 113.70 104.00 2yz0 s SER 4 Ca 0.16 -1.15 -0.04 0.00 0.70 0.00 0.00 55.95 55.62 2yz0 s SER 4 Cb -0.05 1.00 -0.02 0.00 -1.71 0.00 0.00 66.02 65.24 2yz0 s SER 4 CO 0.74 -0.26 -0.02 -1.38 1.20 0.00 0.00 173.24 173.52 2yz0 s HIS 5 N 1.76 3.01 0.00 3.44 -3.43 -1.26 -4.83 115.29 113.98 2yz0 s HIS 5 Ca 0.15 -0.50 0.00 0.00 -0.80 0.00 0.00 55.06 53.91 2yz0 s HIS 5 Cb -0.12 -2.05 0.00 0.00 -1.43 0.00 0.00 32.58 28.98 2yz0 s HIS 5 CO -0.10 -0.24 0.00 -0.11 -2.00 0.00 0.00 174.74 172.29 2yz0 n LEU 6 N 4.15 0.00 -4.86 5.38 7.94 -1.26 -5.12 117.00 123.23 2yz0 n LEU 6 Ca -0.17 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.51 2yz0 n LEU 6 Cb 0.52 0.05 -0.04 0.00 0.53 0.00 0.00 43.42 44.48 2yz0 n LEU 6 CO 0.31 -0.43 -0.14 0.28 -1.11 0.00 0.00 177.39 176.30 2yz0 s THR 7 N -1.86 4.63 0.36 1.96 -1.32 -1.26 -5.00 115.64 113.14 2yz0 s THR 7 Ca 0.00 -1.31 0.28 0.00 -1.21 0.00 0.00 61.69 59.45 2yz0 s THR 7 Cb 0.00 -3.50 0.30 0.00 -1.51 0.00 0.00 72.50 67.78 2yz0 s THR 7 CO 0.00 -0.35 2.04 -0.07 -2.21 0.00 0.00 174.62 174.04 2yz0 h LEU 8 N 1.42 0.00 -1.94 9.08 3.38 -2.00 -2.75 115.31 122.50 2yz0 h LEU 8 Ca -0.49 0.00 0.29 0.00 0.09 0.00 0.00 57.88 57.76 2yz0 h LEU 8 Cb 1.24 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 2yz0 h LEU 8 CO 0.61 0.12 0.72 0.44 0.09 0.00 0.00 178.44 180.42 2yz0 h ASP 9 N 0.00 0.04 -0.50 -0.43 3.32 -1.95 0.30 116.42 117.21 2yz0 h ASP 9 Ca -0.00 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 2yz0 h ASP 9 Cb 0.40 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 2yz0 h ASP 9 CO 0.02 0.01 -0.20 1.56 -1.72 0.00 0.00 179.24 178.90 2yz0 h GLN 10 N 0.04 1.01 0.00 3.56 1.08 -1.89 -2.78 115.11 116.13 2yz0 h GLN 10 Ca 0.49 -0.43 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 2yz0 h GLN 10 Cb 1.87 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 29.26 2yz0 h GLN 10 CO -0.03 1.11 -0.07 1.88 -0.95 0.00 0.00 178.83 180.77 2yz0 h TYR 11 N 0.87 0.00 -0.80 2.96 0.05 -0.59 -2.09 116.97 117.38 2yz0 h TYR 11 Ca 0.11 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.93 2yz0 h TYR 11 Cb 0.79 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.48 2yz0 h TYR 11 CO 0.05 0.07 0.53 1.88 -1.05 0.00 0.00 178.16 179.63 2yz0 h TYR 12 N 0.00 0.95 -0.58 4.88 0.05 -1.30 -1.42 116.97 119.55 2yz0 h TYR 12 Ca -0.00 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.77 2yz0 h TYR 12 Cb 0.15 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.54 2yz0 h TYR 12 CO 0.00 0.56 0.24 0.93 -1.05 0.00 0.00 178.16 178.84 2yz0 h GLU 13 N 0.99 0.86 -0.51 4.88 4.39 -1.48 -0.18 114.58 123.53 2yz0 h GLU 13 Ca 0.31 -0.15 -0.07 0.00 0.34 0.00 0.00 59.36 59.79 2yz0 h GLU 13 Cb 0.02 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 2yz0 h GLU 13 CO -0.09 0.73 0.02 0.82 -1.16 0.00 0.00 179.01 179.34 2yz0 h ILE 14 N 0.79 1.26 -0.40 3.13 5.03 -1.46 -1.73 117.51 124.13 2yz0 h ILE 14 Ca 0.19 -1.04 -0.05 0.00 -0.12 0.00 0.00 64.86 63.84 2yz0 h ILE 14 Cb 0.19 0.93 -0.02 0.00 -3.03 0.00 0.00 36.82 34.89 2yz0 h ILE 14 CO -0.02 0.37 0.05 1.56 -0.68 0.00 0.00 178.15 179.43 2yz0 h GLN 15 N 0.75 0.67 -0.71 2.37 4.20 -1.08 -2.92 115.11 118.38 2yz0 h GLN 15 Ca 0.15 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 2yz0 h GLN 15 Cb 0.49 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 2yz0 h GLN 15 CO 0.02 0.73 0.32 0.00 -0.67 0.00 0.00 178.83 179.23 2yz0 h ASN 17 N 1.02 0.42 -0.47 0.00 2.35 -1.13 -1.41 115.58 116.35 2yz0 h ASN 17 Ca 0.25 -0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.88 2yz0 h ASN 17 Cb 0.13 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 2yz0 h ASN 17 CO -0.03 0.28 -0.12 -0.33 -1.65 0.00 0.00 177.43 175.58 2yz0 h GLU 18 N 0.48 0.96 0.10 0.81 5.08 -1.28 0.17 114.58 120.90 2yz0 h GLU 18 Ca 0.22 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2yz0 h GLU 18 Cb 0.25 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2yz0 h GLU 18 CO -0.06 1.02 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.85 2yz0 h LEU 19 N 0.85 -0.12 -0.75 1.33 4.07 -1.20 0.15 115.31 119.65 2yz0 h LEU 19 Ca 0.13 -0.17 -0.12 0.00 0.08 0.00 0.00 57.88 57.81 2yz0 h LEU 19 Cb 0.67 0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.43 2yz0 h LEU 19 CO 0.05 0.10 -0.32 1.05 -1.08 0.00 0.00 178.44 178.23 2yz0 h GLU 20 N -0.33 0.58 0.02 1.13 4.11 -1.42 0.33 114.58 119.01 2yz0 h GLU 20 Ca -0.01 -0.26 -0.00 0.00 0.07 0.00 0.00 59.36 59.15 2yz0 h GLU 20 Cb 0.27 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2yz0 h GLU 20 CO 0.02 0.83 -0.01 0.00 0.07 0.00 0.00 179.01 179.92 2yz0 h ALA 21 N 1.15 -0.03 -0.08 1.06 0.00 -0.55 -3.03 119.26 117.77 2yz0 h ALA 21 Ca 0.06 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 2yz0 h ALA 21 Cb 0.80 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2yz0 h ALA 21 CO 0.07 -0.35 -0.70 0.82 0.00 0.00 0.00 179.25 179.08 2yz0 h ILE 22 N -0.37 1.38 -0.88 0.00 5.03 -0.69 -3.14 117.51 118.85 2yz0 h ILE 22 Ca -0.00 -2.10 0.18 0.00 -0.12 0.00 0.00 64.86 62.82 2yz0 h ILE 22 Cb 0.35 2.08 -0.07 0.00 -3.03 0.00 0.00 36.82 36.15 2yz0 h ILE 22 CO 0.01 0.63 0.58 0.03 -0.68 0.00 0.00 178.15 178.71 2yz0 h ARG 23 N 0.27 0.46 -0.08 2.37 3.08 -0.34 0.32 114.38 120.46 2yz0 h ARG 23 Ca -0.02 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 2yz0 h ARG 23 Cb 1.26 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 2yz0 h ARG 23 CO 0.12 0.31 -0.32 0.66 -1.07 0.00 0.00 179.97 179.66 2yz0 h SER 24 N 0.48 0.15 0.12 7.04 4.64 -1.47 0.74 113.55 125.25 2yz0 h SER 24 Ca 0.45 -0.05 -0.24 0.00 -0.47 0.00 0.00 61.79 61.48 2yz0 h SER 24 Cb 1.01 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 63.06 2yz0 h SER 24 CO -0.18 0.47 -1.19 0.40 -0.87 0.00 0.00 176.83 175.47 2yz0 h ILE 25 N 0.13 1.21 -1.44 0.95 2.04 -0.64 -3.36 117.51 116.40 2yz0 h ILE 25 Ca 0.02 -2.45 -0.68 0.00 1.00 0.00 0.00 64.86 62.75 2yz0 h ILE 25 Cb 0.64 2.89 -0.33 0.00 -0.74 0.00 0.00 36.82 39.28 2yz0 h ILE 25 CO 0.05 0.70 0.40 -1.22 0.00 0.00 0.00 178.15 178.08 2yz0 n TYR 26 N -4.01 3.11 -0.16 1.37 4.01 0.68 -4.80 117.16 117.35 2yz0 n TYR 26 Ca -0.21 -2.66 -0.07 0.00 -0.16 0.00 0.00 57.90 54.80 2yz0 n TYR 26 Cb 0.87 -0.93 -0.01 0.00 -0.31 0.00 0.00 39.34 38.95 2yz0 n TYR 26 CO 0.00 0.00 0.00 0.52 -0.46 0.00 0.00 176.86 176.92 2yz0 h MET 27 N 2.51 -0.22 0.00 -0.72 2.86 -1.01 0.26 114.93 118.62 2yz0 h MET 27 Ca 0.50 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.16 2yz0 h MET 27 Cb 0.64 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.35 2yz0 h MET 27 CO 1.28 -0.14 -0.97 -0.25 1.06 0.00 0.00 176.91 177.88 2yz0 n ASP 28 N -5.42 0.73 -1.94 1.22 8.00 -1.26 -4.09 116.55 113.79 2yz0 n ASP 28 Ca 0.02 -0.58 -0.09 0.00 0.71 0.00 0.00 54.79 54.84 2yz0 n ASP 28 Cb 0.35 0.86 0.27 0.00 -0.02 0.00 0.00 41.12 42.58 2yz0 n ASP 28 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2yz0 n ASP 29 N -1.66 4.36 -4.49 -2.24 9.92 -0.68 -4.93 116.55 116.83 2yz0 n ASP 29 Ca 0.03 -3.35 -0.33 0.00 -0.53 0.00 0.00 54.79 50.61 2yz0 n ASP 29 Cb 0.37 -0.75 -0.12 0.00 -0.64 0.00 0.00 41.12 39.98 2yz0 n ASP 29 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2yz0 s PHE 30 N -3.08 2.90 -0.13 1.24 2.19 0.82 -2.22 117.98 119.70 2yz0 s PHE 30 Ca 0.54 -0.26 -0.02 0.00 0.33 0.00 0.00 56.93 57.53 2yz0 s PHE 30 Cb 0.44 -1.80 -0.02 0.00 -1.31 0.00 0.00 43.02 40.33 2yz0 s PHE 30 CO 0.12 0.08 -0.07 0.99 1.83 0.00 0.00 175.22 178.16 2yz0 s THR 31 N -0.18 3.63 -0.36 0.12 2.01 -0.68 -4.94 115.64 115.25 2yz0 s THR 31 Ca 0.02 -0.47 -0.17 0.00 0.31 0.00 0.00 61.69 61.38 2yz0 s THR 31 Cb -0.13 -2.55 -0.00 0.00 0.01 0.00 0.00 72.50 69.83 2yz0 s THR 31 CO 0.03 0.53 0.43 -0.62 -0.69 0.00 0.00 174.62 174.30 2yz0 s ASP 32 N 0.07 6.23 0.00 3.53 -1.08 -1.26 -2.55 116.67 121.60 2yz0 s ASP 32 Ca -0.02 -0.23 0.00 0.00 -0.52 0.00 0.00 52.55 51.79 2yz0 s ASP 32 Cb -0.14 -2.23 0.00 0.00 -1.46 0.00 0.00 42.92 39.09 2yz0 s ASP 32 CO 0.03 -0.43 0.37 0.00 0.52 0.00 0.00 175.17 175.66 2yz0 n LEU 33 N 5.56 0.74 -4.61 -1.34 -0.00 -1.26 -4.98 117.00 111.11 2yz0 n LEU 33 Ca -0.07 -0.75 -0.30 0.00 -0.00 0.00 0.00 56.01 54.89 2yz0 n LEU 33 Cb 0.49 0.00 0.19 0.00 -0.00 0.00 0.00 43.42 44.10 2yz0 n LEU 33 CO 0.43 0.19 0.62 0.41 -0.00 0.00 0.00 177.39 179.04 2yz0 n THR 34 N -0.01 0.00 -0.81 1.47 -1.04 -1.26 -4.84 114.28 107.80 2yz0 n THR 34 Ca 0.00 -0.12 -0.08 0.00 -2.04 0.00 0.00 64.05 61.81 2yz0 n THR 34 Cb 0.06 -1.00 -0.10 0.00 -1.82 0.00 0.00 70.33 67.48 2yz0 n THR 34 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2yz0 n LYS 35 N -4.44 1.61 -0.01 -2.82 5.02 -1.26 -4.38 118.16 111.89 2yz0 n LYS 35 Ca 0.09 -0.64 -0.01 0.00 -2.02 0.00 0.00 58.31 55.74 2yz0 n LYS 35 Cb 0.53 -1.61 -0.01 0.00 -0.02 0.00 0.00 35.03 33.92 2yz0 n LYS 35 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2yz0 h ARG 36 N 2.20 -0.07 -0.77 1.97 2.47 -1.94 -3.34 114.38 114.90 2yz0 h ARG 36 Ca 0.12 0.00 -0.42 0.00 -1.26 0.00 0.00 59.98 58.43 2yz0 h ARG 36 Cb 1.30 0.02 -0.24 0.00 -1.65 0.00 0.00 29.97 29.39 2yz0 h ARG 36 CO 0.16 -0.05 0.38 1.63 0.56 0.00 0.00 179.97 182.65 2yz0 n LYS 37 N -4.26 2.18 -1.09 0.04 4.76 -1.26 -4.89 118.16 113.64 2yz0 n LYS 37 Ca -0.01 -3.13 -0.11 0.00 -2.87 0.00 0.00 58.31 52.19 2yz0 n LYS 37 Cb 0.03 -2.07 0.07 0.00 -1.84 0.00 0.00 35.03 31.22 2yz0 n LYS 37 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2yz0 n SER 38 N -1.11 0.29 -3.85 4.39 2.88 -1.26 -5.07 113.62 109.89 2yz0 n SER 38 Ca 0.51 -1.33 -0.30 0.00 -1.33 0.00 0.00 58.87 56.42 2yz0 n SER 38 Cb 1.35 -0.34 -0.14 0.00 -0.75 0.00 0.00 64.21 64.33 2yz0 n SER 38 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2yz0 s SER 39 N -2.82 4.19 0.09 -3.46 0.01 -1.26 -4.86 113.70 105.59 2yz0 s SER 39 Ca 0.29 -2.34 0.00 0.00 1.31 0.00 0.00 55.95 55.21 2yz0 s SER 39 Cb -0.01 -1.29 0.00 0.00 0.21 0.00 0.00 66.02 64.93 2yz0 s SER 39 CO 0.20 -0.33 0.00 1.87 0.41 0.00 0.00 173.24 175.39 2yz0 n TRP 40 N 3.96 -2.13 0.00 2.43 -0.00 -1.26 -5.06 117.44 115.38 2yz0 n TRP 40 Ca 0.04 0.29 0.00 0.00 -0.00 0.00 0.00 57.50 57.83 2yz0 n TRP 40 Cb 0.38 0.99 0.00 0.00 -0.00 0.00 0.00 31.31 32.67 2yz0 n TRP 40 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 2yz0 n ASP 41 N -2.43 0.00 -2.81 5.87 2.03 -1.26 -5.02 116.55 112.93 2yz0 n ASP 41 Ca 0.00 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.28 2yz0 n ASP 41 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2yz0 n ASP 41 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2yz0 n LYS 42 N 0.00 -0.28 -2.94 -0.67 -0.00 -1.26 -4.80 118.16 108.21 2yz0 n LYS 42 Ca 0.00 -0.01 -0.31 0.00 -0.00 0.00 0.00 58.31 57.99 2yz0 n LYS 42 Cb 0.00 -0.10 -0.03 0.00 -0.00 0.00 0.00 35.03 34.90 2yz0 n LYS 42 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2yz0 n GLN 43 N -0.82 3.76 -2.21 -1.58 7.27 -1.25 -5.06 117.38 117.50 2yz0 n GLN 43 Ca -0.03 -4.78 -0.42 0.00 0.07 0.00 0.00 57.00 51.85 2yz0 n GLN 43 Cb 0.07 -2.32 -0.03 0.00 2.41 0.00 0.00 30.24 30.37 2yz0 n GLN 43 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2yz0 s PRO 44 N -3.51 4.35 -0.02 3.69 0.04 -1.26 -4.64 135.00 133.64 2yz0 s PRO 44 Ca 0.44 2.04 0.15 0.00 0.04 0.00 0.00 61.00 63.67 2yz0 s PRO 44 Cb 0.23 -3.25 0.44 0.00 0.04 0.00 0.00 34.50 31.96 2yz0 s PRO 44 CO -0.10 -0.38 1.37 0.94 0.04 0.00 0.00 177.00 178.87 2yz0 n GLN 45 N 3.68 2.91 0.00 4.56 7.27 -1.26 -4.96 117.38 129.58 2yz0 n GLN 45 Ca 0.10 -2.33 0.00 0.00 0.07 0.00 0.00 57.00 54.84 2yz0 n GLN 45 Cb 0.43 -1.43 0.00 0.00 2.41 0.00 0.00 30.24 31.65 2yz0 n GLN 45 CO 0.00 0.00 0.00 1.51 0.07 0.00 0.00 177.06 178.64 2yz0 n ILE 46 N 0.78 0.00 -0.95 1.69 0.13 -1.26 -4.64 119.36 115.12 2yz0 n ILE 46 Ca 0.17 0.00 -0.30 0.00 -1.10 0.00 0.00 62.75 61.52 2yz0 n ILE 46 Cb 0.54 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.35 2yz0 n ILE 46 CO 0.00 0.00 0.00 2.30 2.80 0.00 0.00 176.55 181.65 2yz0 n ILE 47 N 0.00 0.20 -3.46 9.51 -0.00 -1.26 -4.93 119.36 119.42 2yz0 n ILE 47 Ca 0.00 -0.37 -0.13 0.00 -0.00 0.00 0.00 62.75 62.25 2yz0 n ILE 47 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 39.61 2yz0 n ILE 47 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.55 177.27 2yz0 s PHE 48 N -1.39 -0.53 0.27 4.28 -0.71 -1.17 -4.05 117.98 114.68 2yz0 s PHE 48 Ca 0.43 0.45 0.08 0.00 -1.04 0.00 0.00 56.93 56.85 2yz0 s PHE 48 Cb -0.42 0.50 -0.04 0.00 -1.21 0.00 0.00 43.02 41.86 2yz0 s PHE 48 CO 0.48 -0.79 0.11 -1.21 -1.34 0.00 0.00 175.22 172.47 2yz0 s GLU 49 N -3.24 2.58 -0.00 1.99 2.02 -1.06 -3.02 118.70 117.96 2yz0 s GLU 49 Ca -0.01 -1.28 0.01 0.00 0.02 0.00 0.00 54.97 53.71 2yz0 s GLU 49 Cb -0.01 -2.34 0.00 0.00 0.10 0.00 0.00 34.13 31.88 2yz0 s GLU 49 CO -0.08 0.34 -0.03 0.42 0.02 0.00 0.00 175.26 175.93 2yz0 s ILE 50 N -2.26 0.24 -0.31 -1.63 -1.09 -1.10 -1.68 121.20 113.38 2yz0 s ILE 50 Ca 0.33 -0.11 -0.25 0.00 -2.23 0.00 0.00 60.65 58.39 2yz0 s ILE 50 Cb -0.07 -0.22 0.00 0.00 -1.58 0.00 0.00 42.46 40.60 2yz0 s ILE 50 CO 0.23 0.08 0.85 -0.89 -1.23 0.00 0.00 174.94 173.97 2yz0 s THR 51 N 0.03 4.74 0.28 2.92 2.01 -0.94 -2.41 115.64 122.26 2yz0 s THR 51 Ca 0.00 1.30 0.10 0.00 0.31 0.00 0.00 61.69 63.41 2yz0 s THR 51 Cb -0.02 -4.20 -0.05 0.00 0.01 0.00 0.00 72.50 68.23 2yz0 s THR 51 CO -0.00 -0.29 -0.16 -0.76 -0.69 0.00 0.00 174.62 172.71 2yz0 s LEU 52 N 3.09 2.60 -0.04 4.42 1.43 -0.16 -4.93 118.68 125.09 2yz0 s LEU 52 Ca 0.35 -1.06 -0.29 0.00 -1.03 0.00 0.00 54.13 52.09 2yz0 s LEU 52 Cb -0.14 -0.98 0.10 0.00 0.03 0.00 0.00 46.19 45.21 2yz0 s LEU 52 CO 0.13 -0.06 1.31 0.00 0.23 0.00 0.00 176.35 177.96 2yz0 s ARG 53 N -3.56 0.28 1.26 1.70 3.03 -1.26 -0.17 118.95 120.22 2yz0 s ARG 53 Ca 0.29 -0.18 -0.18 0.00 2.03 0.00 0.00 55.73 57.69 2yz0 s ARG 53 Cb -0.02 0.08 0.31 0.00 -1.03 0.00 0.00 34.95 34.28 2yz0 s ARG 53 CO 0.14 -0.13 1.02 -1.12 -1.13 0.00 0.00 175.30 174.08 2yz0 s SER 54 N -3.78 0.35 0.13 -2.89 0.01 0.68 -4.82 113.70 103.38 2yz0 s SER 54 Ca 0.29 0.96 0.08 0.00 1.31 0.00 0.00 55.95 58.59 2yz0 s SER 54 Cb 0.00 -1.41 -0.18 0.00 0.21 0.00 0.00 66.02 64.64 2yz0 s SER 54 CO -0.02 -4.51 1.26 -0.37 0.41 0.00 0.00 173.24 170.01 2yz0 h VAL 55 N -2.84 1.57 -3.91 3.43 -1.51 -1.90 -3.47 116.25 107.61 2yz0 h VAL 55 Ca -0.49 -3.25 0.00 0.00 -1.23 0.00 0.00 66.70 61.73 2yz0 h VAL 55 Cb 1.33 2.77 0.00 0.00 -2.13 0.00 0.00 31.29 33.26 2yz0 h VAL 55 CO 0.38 0.89 0.00 -0.67 -1.23 0.00 0.00 177.57 176.95 2yz0 n ASP 56 N -3.31 1.70 -0.00 4.19 -0.08 -1.26 -5.07 116.55 112.72 2yz0 n ASP 56 Ca -0.01 -0.91 0.01 0.00 -1.51 0.00 0.00 54.79 52.37 2yz0 n ASP 56 Cb 0.92 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 44.37 2yz0 n ASP 56 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2yz0 n LYS 57 N -0.14 4.56 -4.27 -0.67 4.01 -1.24 -4.58 118.16 115.83 2yz0 n LYS 57 Ca 0.00 -0.01 -0.23 0.00 -0.51 0.00 0.00 58.31 57.57 2yz0 n LYS 57 Cb 0.00 -0.74 -0.12 0.00 -0.51 0.00 0.00 35.03 33.66 2yz0 n LYS 57 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 2yz0 s GLU 58 N -1.49 1.10 0.00 1.97 -1.05 -1.26 -2.60 118.70 115.37 2yz0 s GLU 58 Ca 0.00 -1.17 0.15 0.00 -0.15 0.00 0.00 54.97 53.80 2yz0 s GLU 58 Cb 0.02 -1.28 0.74 0.00 -0.44 0.00 0.00 34.13 33.17 2yz0 s GLU 58 CO 0.11 0.29 1.41 -0.35 0.95 0.00 0.00 175.26 177.67 2yz0 n PRO 59 N 0.97 0.20 -4.21 -4.83 -0.04 -1.26 -4.94 135.00 120.89 2yz0 n PRO 59 Ca -0.19 0.15 -0.14 0.00 -0.04 0.00 0.00 63.50 63.29 2yz0 n PRO 59 Cb 0.54 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.41 2yz0 n PRO 59 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2yz0 s VAL 60 N -2.59 0.00 -0.06 0.52 -7.23 -1.07 -4.54 120.40 105.43 2yz0 s VAL 60 Ca 0.14 -1.96 0.19 0.00 -1.81 0.00 0.00 61.98 58.53 2yz0 s VAL 60 Cb 0.10 -2.49 -0.28 0.00 0.56 0.00 0.00 36.38 34.27 2yz0 s VAL 60 CO 0.23 0.00 0.35 1.21 -0.31 0.00 0.00 175.10 176.58 2yz0 n GLU 61 N -0.36 0.68 -2.37 4.82 2.13 -1.14 -3.64 120.64 120.76 2yz0 n GLU 61 Ca 0.03 -0.14 0.00 0.00 0.66 0.00 0.00 57.16 57.71 2yz0 n GLU 61 Cb 0.65 -1.46 0.00 0.00 0.27 0.00 0.00 31.44 30.90 2yz0 n GLU 61 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2yz0 n SER 62 N -2.26 -4.65 -4.18 4.31 7.64 -1.26 -2.79 113.62 110.42 2yz0 n SER 62 Ca -0.09 0.31 -0.33 0.00 1.01 0.00 0.00 58.87 59.78 2yz0 n SER 62 Cb 0.61 -1.10 -0.16 0.00 -1.01 0.00 0.00 64.21 62.56 2yz0 n SER 62 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yz0 s SER 63 N -0.65 3.32 -0.01 6.43 1.04 -1.26 -0.23 113.70 122.35 2yz0 s SER 63 Ca 0.00 -0.58 0.03 0.00 0.48 0.00 0.00 55.95 55.88 2yz0 s SER 63 Cb 0.00 -1.50 -0.01 0.00 0.10 0.00 0.00 66.02 64.61 2yz0 s SER 63 CO 0.00 0.05 -0.09 -0.63 0.98 0.00 0.00 173.24 173.55 2yz0 s ILE 64 N 1.02 0.71 -0.29 -1.02 1.01 0.76 -2.86 121.20 120.53 2yz0 s ILE 64 Ca -0.02 -0.37 -0.09 0.00 0.00 0.00 0.00 60.65 60.17 2yz0 s ILE 64 Cb -0.15 -0.60 -0.01 0.00 0.01 0.00 0.00 42.46 41.71 2yz0 s ILE 64 CO -0.05 0.21 0.13 -0.89 0.00 0.00 0.00 174.94 174.34 2yz0 s THR 65 N -0.14 4.57 -0.43 2.92 2.01 -1.14 -0.99 115.64 122.43 2yz0 s THR 65 Ca 0.02 -0.33 -0.19 0.00 0.31 0.00 0.00 61.69 61.50 2yz0 s THR 65 Cb -0.04 -3.28 0.02 0.00 0.01 0.00 0.00 72.50 69.21 2yz0 s THR 65 CO -0.00 0.14 0.53 -0.76 -0.69 0.00 0.00 174.62 173.84 2yz0 s LEU 66 N 1.62 4.70 -0.42 4.42 1.02 -1.01 -2.12 118.68 126.89 2yz0 s LEU 66 Ca 0.05 -0.53 -0.17 0.00 0.02 0.00 0.00 54.13 53.51 2yz0 s LEU 66 Cb -0.17 -2.54 0.02 0.00 0.02 0.00 0.00 46.19 43.52 2yz0 s LEU 66 CO 0.06 -0.67 0.41 -2.28 0.02 0.00 0.00 176.35 173.88 2yz0 s HIS 67 N 2.45 3.18 -0.09 0.29 5.65 -0.99 -2.69 115.29 123.09 2yz0 s HIS 67 Ca 0.17 -0.42 -0.03 0.00 0.25 0.00 0.00 55.06 55.02 2yz0 s HIS 67 Cb -0.16 -2.84 -0.03 0.00 -1.18 0.00 0.00 32.58 28.37 2yz0 s HIS 67 CO 0.16 -0.68 0.04 -0.06 -0.65 0.00 0.00 174.74 173.55 2yz0 s PHE 68 N 2.04 3.28 -0.10 3.88 0.40 -1.17 -2.96 117.98 123.36 2yz0 s PHE 68 Ca 0.11 0.28 0.03 0.00 -0.60 0.00 0.00 56.93 56.75 2yz0 s PHE 68 Cb -0.17 -1.83 0.01 0.00 0.51 0.00 0.00 43.02 41.54 2yz0 s PHE 68 CO 0.13 0.54 -0.18 0.00 0.70 0.00 0.00 175.22 176.41 2yz0 s ALA 69 N -0.92 1.79 -0.52 5.36 0.00 -0.80 -3.02 121.76 123.65 2yz0 s ALA 69 Ca 0.14 -0.76 -0.18 0.00 0.00 0.00 0.00 51.96 51.16 2yz0 s ALA 69 Cb -0.11 -0.76 0.08 0.00 0.00 0.00 0.00 23.12 22.32 2yz0 s ALA 69 CO 0.03 0.12 0.58 -1.64 0.00 0.00 0.00 175.76 174.84 2yz0 s MET 70 N 0.64 3.05 0.96 0.00 -1.94 -1.26 -3.05 119.30 117.70 2yz0 s MET 70 Ca -0.14 -1.20 -0.11 0.00 -1.71 0.00 0.00 55.69 52.53 2yz0 s MET 70 Cb -0.16 -4.17 0.13 0.00 2.01 0.00 0.00 34.83 32.63 2yz0 s MET 70 CO 0.04 -1.27 0.86 0.25 -0.01 0.00 0.00 175.02 174.89 2yz0 n THR 71 N 5.46 0.00 0.77 2.05 -2.24 -1.26 -4.82 114.28 114.24 2yz0 n THR 71 Ca -0.09 -0.11 0.07 0.00 -2.27 0.00 0.00 64.05 61.65 2yz0 n THR 71 Cb 0.44 -0.87 0.40 0.00 -2.10 0.00 0.00 70.33 68.20 2yz0 n THR 71 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2yz0 n PRO 72 N -3.45 0.28 -0.02 -0.78 -0.04 -1.26 -2.41 135.00 127.32 2yz0 n PRO 72 Ca 0.09 0.11 0.01 0.00 -0.04 0.00 0.00 63.50 63.67 2yz0 n PRO 72 Cb 0.53 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.42 2yz0 n PRO 72 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2yz0 n MET 73 N -1.21 1.28 -1.44 0.54 2.81 -1.26 -4.78 117.12 113.06 2yz0 n MET 73 Ca 0.08 -0.05 -0.38 0.00 -1.81 0.00 0.00 57.70 55.54 2yz0 n MET 73 Cb 0.10 -1.21 0.03 0.00 -0.71 0.00 0.00 33.22 31.43 2yz0 n MET 73 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 2yz0 n TYR 74 N -2.02 -0.93 0.44 2.03 4.19 -1.01 -0.83 117.16 119.02 2yz0 n TYR 74 Ca -0.07 0.45 0.09 0.00 3.31 0.00 0.00 57.90 61.68 2yz0 n TYR 74 Cb 0.46 -1.92 0.40 0.00 0.49 0.00 0.00 39.34 38.77 2yz0 n TYR 74 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 2yz0 n PRO 75 N 0.14 0.10 -0.24 2.98 -0.04 -1.26 -4.75 135.00 131.93 2yz0 n PRO 75 Ca 0.11 0.34 0.09 0.00 -0.04 0.00 0.00 63.50 64.00 2yz0 n PRO 75 Cb 0.47 -1.69 0.18 0.00 -0.04 0.00 0.00 33.50 32.43 2yz0 n PRO 75 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2yz0 n TYR 76 N -1.87 0.40 -3.54 0.54 9.36 -0.01 -4.41 117.16 117.63 2yz0 n TYR 76 Ca 0.03 0.84 -0.24 0.00 3.32 0.00 0.00 57.90 61.85 2yz0 n TYR 76 Cb 0.20 -1.00 0.03 0.00 -0.63 0.00 0.00 39.34 37.94 2yz0 n TYR 76 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 2yz0 s THR 77 N -5.66 1.74 -0.20 2.97 -4.23 -1.24 -5.10 115.64 103.93 2yz0 s THR 77 Ca -0.09 -1.29 -0.09 0.00 -1.18 0.00 0.00 61.69 59.03 2yz0 s THR 77 Cb 0.20 -2.03 -0.05 0.00 1.34 0.00 0.00 72.50 71.96 2yz0 s THR 77 CO 0.54 0.00 0.12 0.00 -0.54 0.00 0.00 174.62 174.74 2yz0 s ALA 78 N -2.76 3.63 1.13 3.99 0.00 -1.26 -4.49 121.76 122.00 2yz0 s ALA 78 Ca 0.45 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.60 2yz0 s ALA 78 Cb -0.04 -2.12 0.16 0.00 0.00 0.00 0.00 23.12 21.12 2yz0 s ALA 78 CO 0.28 0.16 0.58 -0.35 0.00 0.00 0.00 175.76 176.43 2yz0 n PRO 79 N 3.53 -2.15 -4.92 0.00 -0.04 -1.26 -4.86 135.00 125.29 2yz0 n PRO 79 Ca -0.16 -0.92 -0.27 0.00 -0.04 0.00 0.00 63.50 62.11 2yz0 n PRO 79 Cb 0.52 -0.87 -0.15 0.00 -0.04 0.00 0.00 33.50 32.96 2yz0 n PRO 79 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2yz0 s GLU 80 N -4.31 1.61 0.02 0.54 2.12 -1.17 -4.95 118.70 112.55 2yz0 s GLU 80 Ca 0.38 -0.79 0.03 0.00 0.36 0.00 0.00 54.97 54.95 2yz0 s GLU 80 Cb -0.04 -1.60 -0.01 0.00 0.26 0.00 0.00 34.13 32.74 2yz0 s GLU 80 CO 0.29 0.43 -0.10 0.42 -0.54 0.00 0.00 175.26 175.76 2yz0 s ILE 81 N -0.56 0.77 -0.08 -3.70 -1.09 -1.25 -1.90 121.20 113.39 2yz0 s ILE 81 Ca 0.08 -0.71 -0.12 0.00 -2.23 0.00 0.00 60.65 57.67 2yz0 s ILE 81 Cb -0.08 -0.70 0.03 0.00 -1.58 0.00 0.00 42.46 40.12 2yz0 s ILE 81 CO -0.00 0.01 0.31 -1.83 -1.23 0.00 0.00 174.94 172.20 2yz0 s GLU 82 N -0.78 0.48 -0.09 2.79 -1.05 -1.15 -4.98 118.70 113.92 2yz0 s GLU 82 Ca -0.00 0.21 -0.12 0.00 -0.15 0.00 0.00 54.97 54.91 2yz0 s GLU 82 Cb -0.06 0.22 -0.05 0.00 -0.44 0.00 0.00 34.13 33.80 2yz0 s GLU 82 CO 0.00 -0.09 0.29 -0.06 0.95 0.00 0.00 175.26 176.35 2yz0 s PHE 83 N -0.38 3.61 0.35 4.83 0.08 -1.26 -2.36 117.98 122.85 2yz0 s PHE 83 Ca -0.05 0.73 0.06 0.00 0.12 0.00 0.00 56.93 57.79 2yz0 s PHE 83 Cb -0.03 -2.20 -0.07 0.00 -0.57 0.00 0.00 43.02 40.14 2yz0 s PHE 83 CO 0.02 0.54 0.01 0.15 -0.10 0.00 0.00 175.22 175.85 2yz0 s LYS 84 N -0.57 1.77 0.00 0.44 -0.14 -0.90 -4.89 119.74 115.46 2yz0 s LYS 84 Ca 0.19 -1.98 0.00 0.00 -1.36 0.00 0.00 55.97 52.82 2yz0 s LYS 84 Cb -0.14 -1.27 0.00 0.00 -1.68 0.00 0.00 37.83 34.74 2yz0 s LYS 84 CO 0.08 -0.08 0.00 0.09 -0.76 0.00 0.00 175.35 174.67 2yz0 n ASN 85 N -0.80 0.00 -2.33 2.83 5.03 -1.26 -2.90 115.26 115.83 2yz0 n ASN 85 Ca -0.04 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.41 2yz0 n ASN 85 Cb 0.66 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.42 2yz0 n ASN 85 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 2yz0 n VAL 86 N 0.00 -1.32 -0.12 2.41 0.24 -1.13 -4.94 118.33 113.47 2yz0 n VAL 86 Ca 0.00 0.32 -0.22 0.00 -2.04 0.00 0.00 64.34 62.39 2yz0 n VAL 86 Cb 0.00 -2.04 -0.07 0.00 -1.47 0.00 0.00 33.84 30.26 2yz0 n VAL 86 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2yz0 n GLN 87 N 1.13 0.57 -0.25 7.34 10.64 -1.25 -4.43 117.38 131.12 2yz0 n GLN 87 Ca 0.00 0.24 0.01 0.00 -1.83 0.00 0.00 57.00 55.42 2yz0 n GLN 87 Cb 0.32 -1.47 0.11 0.00 -0.86 0.00 0.00 30.24 28.33 2yz0 n GLN 87 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 2yz0 n ASN 88 N -4.33 2.37 -4.21 2.61 5.15 -1.26 -4.83 115.26 110.76 2yz0 n ASN 88 Ca -0.40 -2.27 -0.17 0.00 -0.60 0.00 0.00 54.58 51.14 2yz0 n ASN 88 Cb 0.75 -0.55 -0.11 0.00 -0.53 0.00 0.00 39.78 39.34 2yz0 n ASN 88 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2yz0 s VAL 89 N -1.43 1.17 -0.00 3.44 1.01 -1.26 -4.94 120.40 118.38 2yz0 s VAL 89 Ca 0.15 -1.66 -0.01 0.00 0.00 0.00 0.00 61.98 60.46 2yz0 s VAL 89 Cb 0.11 -1.44 -0.00 0.00 0.00 0.00 0.00 36.38 35.05 2yz0 s VAL 89 CO 0.04 -0.46 -0.01 0.23 0.00 0.00 0.00 175.10 174.90 2yz0 n MET 90 N 0.59 0.02 0.00 2.72 2.81 -1.26 -4.96 117.12 117.03 2yz0 n MET 90 Ca -0.16 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.74 2yz0 n MET 90 Cb 0.57 -0.33 0.00 0.00 -0.71 0.00 0.00 33.22 32.75 2yz0 n MET 90 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2yz0 n ASP 91 N -2.59 0.00 -0.18 7.83 5.75 -1.26 -4.93 116.55 121.18 2yz0 n ASP 91 Ca -0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.76 2yz0 n ASP 91 Cb 0.02 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.19 2yz0 n ASP 91 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2yz0 h SER 92 N 0.00 0.16 -0.35 -1.12 0.02 -2.00 -0.64 113.55 109.62 2yz0 h SER 92 Ca 0.00 0.07 -0.14 0.00 -0.84 0.00 0.00 61.79 60.89 2yz0 h SER 92 Cb 0.00 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2yz0 h SER 92 CO 0.00 0.11 -0.29 1.56 -1.14 0.00 0.00 176.83 177.06 2yz0 h GLN 93 N 0.35 0.87 -0.18 3.45 7.50 -1.99 -2.08 115.11 123.02 2yz0 h GLN 93 Ca 0.27 -0.40 0.02 0.00 0.50 0.00 0.00 58.65 59.04 2yz0 h GLN 93 Cb 0.32 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.81 2yz0 h GLN 93 CO -0.29 1.04 0.03 -0.07 -1.50 0.00 0.00 178.83 178.05 2yz0 h LEU 94 N 0.73 -0.00 -0.83 1.46 4.07 -1.69 -1.33 115.31 117.73 2yz0 h LEU 94 Ca 0.08 0.03 -0.09 0.00 0.08 0.00 0.00 57.88 57.98 2yz0 h LEU 94 Cb 0.85 0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.61 2yz0 h LEU 94 CO 0.07 0.03 -0.07 1.56 -1.08 0.00 0.00 178.44 178.95 2yz0 h GLN 95 N 0.10 0.80 -0.88 1.13 4.20 -1.13 -2.86 115.11 116.47 2yz0 h GLN 95 Ca 0.08 -0.25 0.01 0.00 0.06 0.00 0.00 58.65 58.56 2yz0 h GLN 95 Cb 0.08 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.74 2yz0 h GLN 95 CO -0.11 0.85 0.58 1.98 -0.67 0.00 0.00 178.83 181.46 2yz0 h MET 96 N 0.73 1.15 -0.47 1.46 4.05 -0.88 -2.40 114.93 118.57 2yz0 h MET 96 Ca 0.13 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.47 2yz0 h MET 96 Cb 0.55 -0.26 -0.02 0.00 -0.80 0.00 0.00 31.60 31.07 2yz0 h MET 96 CO 0.03 0.76 0.25 -0.07 0.23 0.00 0.00 176.91 178.11 2yz0 h LEU 97 N 1.18 0.59 -1.51 3.39 3.38 -1.04 -2.34 115.31 118.96 2yz0 h LEU 97 Ca 0.33 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.24 2yz0 h LEU 97 Cb -0.11 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 2yz0 h LEU 97 CO -0.08 0.52 0.38 0.11 0.09 0.00 0.00 178.44 179.46 2yz0 h LYS 98 N 0.61 0.61 -0.55 1.13 1.79 -1.30 -1.55 116.57 117.32 2yz0 h LYS 98 Ca 0.16 -0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.55 2yz0 h LYS 98 Cb 0.07 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.55 2yz0 h LYS 98 CO -0.03 0.41 0.18 0.77 -1.08 0.00 0.00 179.45 179.70 2yz0 h SER 99 N 0.63 0.80 0.85 0.86 0.02 -0.95 -2.43 113.55 113.33 2yz0 h SER 99 Ca 0.24 -0.20 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 2yz0 h SER 99 Cb 0.16 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 2yz0 h SER 99 CO -0.07 0.79 -0.25 -0.33 -1.14 0.00 0.00 176.83 175.83 2yz0 h GLU 100 N 0.77 0.00 -0.84 3.45 4.39 -1.10 -3.02 114.58 118.23 2yz0 h GLU 100 Ca 0.18 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.90 2yz0 h GLU 100 Cb 0.27 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 2yz0 h GLU 100 CO -0.01 0.25 0.55 0.74 -1.16 0.00 0.00 179.01 179.39 2yz0 h PHE 101 N 0.00 1.04 -0.60 4.33 0.04 -0.79 -1.32 116.94 119.64 2yz0 h PHE 101 Ca -0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.80 2yz0 h PHE 101 Cb 0.74 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 38.51 2yz0 h PHE 101 CO 0.00 0.64 0.38 -0.22 -0.60 0.00 0.00 178.31 178.51 2yz0 h LYS 102 N 1.10 0.79 -0.39 1.51 1.63 -1.52 0.30 116.57 120.00 2yz0 h LYS 102 Ca 0.32 -0.06 -0.08 0.00 -0.85 0.00 0.00 60.65 59.98 2yz0 h LYS 102 Cb -0.08 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.37 2yz0 h LYS 102 CO -0.08 0.54 -0.09 0.87 -3.45 0.00 0.00 179.45 177.24 2yz0 h LYS 103 N 0.81 0.74 -0.21 1.90 6.56 -1.54 -1.36 116.57 123.47 2yz0 h LYS 103 Ca 0.22 -0.28 -0.01 0.00 -1.06 0.00 0.00 60.65 59.52 2yz0 h LYS 103 Cb -0.07 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 31.54 2yz0 h LYS 103 CO -0.05 0.88 0.11 0.82 -2.06 0.00 0.00 179.45 179.16 2yz0 h ILE 104 N 0.55 1.12 -0.72 1.86 2.04 -0.97 -2.35 117.51 119.03 2yz0 h ILE 104 Ca 0.10 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 2yz0 h ILE 104 Cb 0.61 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 2yz0 h ILE 104 CO 0.04 0.11 0.31 -0.74 0.00 0.00 0.00 178.15 177.87 2yz0 h HIS 105 N 0.22 1.08 -0.97 1.37 2.76 -0.92 0.70 115.15 119.40 2yz0 h HIS 105 Ca 0.07 -0.07 0.07 0.00 -2.20 0.00 0.00 60.37 58.24 2yz0 h HIS 105 Cb 0.08 -0.33 -0.07 0.00 1.55 0.00 0.00 27.41 28.65 2yz0 h HIS 105 CO -0.03 0.82 0.62 -0.91 -1.30 0.00 0.00 177.93 177.13 2yz0 h ASN 106 N 1.03 0.97 1.28 3.26 2.35 -1.02 1.57 115.58 125.02 2yz0 h ASN 106 Ca 0.24 0.02 -0.14 0.00 -0.55 0.00 0.00 56.30 55.87 2yz0 h ASN 106 Cb 0.18 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2yz0 h ASN 106 CO -0.02 0.60 -0.73 0.00 -1.65 0.00 0.00 177.43 175.63 2yz0 h THR 107 N 1.10 1.02 -0.38 2.81 1.03 -1.06 -3.27 112.91 114.15 2yz0 h THR 107 Ca 0.43 -2.48 -0.15 0.00 -0.01 0.00 0.00 66.41 64.20 2yz0 h THR 107 Cb 0.22 2.48 -0.09 0.00 -1.07 0.00 0.00 68.15 69.69 2yz0 h THR 107 CO -0.19 0.58 0.00 -1.54 -0.01 0.00 0.00 175.52 174.36 2yz0 n SER 108 N -3.21 2.99 -4.24 0.00 3.41 0.21 -4.91 113.62 107.86 2yz0 n SER 108 Ca -0.00 -3.54 -0.32 0.00 -0.26 0.00 0.00 58.87 54.75 2yz0 n SER 108 Cb 0.80 -0.63 -0.07 0.00 -0.26 0.00 0.00 64.21 64.05 2yz0 n SER 108 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2yz0 n ARG 109 N -0.95 1.32 0.00 4.33 0.63 0.53 -1.83 116.66 120.69 2yz0 n ARG 109 Ca 0.32 -2.12 0.00 0.00 -0.92 0.00 0.00 57.85 55.13 2yz0 n ARG 109 Cb 1.05 -3.44 0.00 0.00 0.45 0.00 0.00 32.46 30.51 2yz0 n ARG 109 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2yz0 n GLY 110 N 5.41 0.76 0.08 5.14 0.00 -1.26 -5.03 105.19 110.29 2yz0 n GLY 110 Ca 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.47 2yz0 n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yz0 n GLN 111 N 0.00 1.71 -1.83 1.61 10.64 -0.76 -4.86 117.38 123.88 2yz0 n GLN 111 Ca 0.00 -0.07 -0.42 0.00 -1.83 0.00 0.00 57.00 54.68 2yz0 n GLN 111 Cb 0.00 0.01 -0.03 0.00 -0.86 0.00 0.00 30.24 29.36 2yz0 n GLN 111 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 2yz0 s GLU 112 N -2.04 4.17 0.00 2.61 2.02 -1.26 -4.87 118.70 119.32 2yz0 s GLU 112 Ca 0.00 2.48 0.00 0.00 0.02 0.00 0.00 54.97 57.48 2yz0 s GLU 112 Cb -0.00 -3.22 0.00 0.00 0.10 0.00 0.00 34.13 31.01 2yz0 s GLU 112 CO 0.00 -0.70 0.00 0.44 0.02 0.00 0.00 175.26 175.02 2yz0 n ILE 113 N 4.15 0.00 -0.23 -1.63 -5.35 -1.26 -4.59 119.36 110.45 2yz0 n ILE 113 Ca 0.15 -0.24 -0.06 0.00 -0.27 0.00 0.00 62.75 62.34 2yz0 n ILE 113 Cb 0.37 0.74 0.04 0.00 -1.74 0.00 0.00 39.64 39.05 2yz0 n ILE 113 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 2yz0 h ILE 114 N 0.00 1.17 -0.12 7.28 1.08 -1.96 0.17 117.51 125.12 2yz0 h ILE 114 Ca 0.00 -0.31 -0.17 0.00 -0.39 0.00 0.00 64.86 63.99 2yz0 h ILE 114 Cb 0.00 0.23 -0.01 0.00 -3.07 0.00 0.00 36.82 33.98 2yz0 h ILE 114 CO 0.00 0.16 -0.64 0.15 -0.69 0.00 0.00 178.15 177.13 2yz0 h PHE 115 N 0.87 0.59 -0.12 1.37 3.57 -1.95 -2.04 116.94 119.22 2yz0 h PHE 115 Ca 0.23 -0.23 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2yz0 h PHE 115 Cb -0.09 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.54 2yz0 h PHE 115 CO -0.03 0.97 -0.04 0.93 -2.23 0.00 0.00 178.31 177.91 2yz0 h GLU 116 N 0.33 0.24 -0.71 1.11 4.39 -1.71 -0.36 114.58 117.88 2yz0 h GLU 116 Ca -0.01 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.53 2yz0 h GLU 116 Cb 1.19 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.80 2yz0 h GLU 116 CO 0.11 0.56 0.20 0.97 -1.16 0.00 0.00 179.01 179.70 2yz0 h ILE 117 N -0.09 1.26 -0.36 3.13 2.10 -0.71 -0.34 117.51 122.50 2yz0 h ILE 117 Ca 0.03 -0.93 -0.08 0.00 1.08 0.00 0.00 64.86 64.96 2yz0 h ILE 117 Cb 0.48 0.52 -0.01 0.00 -1.09 0.00 0.00 36.82 36.72 2yz0 h ILE 117 CO 0.01 0.36 -0.09 0.71 -1.08 0.00 0.00 178.15 178.07 2yz0 h THR 118 N 1.05 1.28 -0.10 2.19 1.35 -1.34 -0.07 112.91 117.26 2yz0 h THR 118 Ca 0.22 -1.15 -0.09 0.00 -0.55 0.00 0.00 66.41 64.84 2yz0 h THR 118 Cb 0.33 1.29 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 2yz0 h THR 118 CO -0.00 0.38 -0.35 -1.28 -0.25 0.00 0.00 175.52 174.02 2yz0 h SER 119 N 0.48 0.21 0.03 5.36 0.87 -0.91 -0.92 113.55 118.68 2yz0 h SER 119 Ca 0.09 -0.08 -0.27 0.00 -1.23 0.00 0.00 61.79 60.31 2yz0 h SER 119 Cb 0.59 -0.06 0.02 0.00 -0.44 0.00 0.00 62.40 62.52 2yz0 h SER 119 CO 0.04 0.55 -1.05 0.15 -0.53 0.00 0.00 176.83 175.99 2yz0 h PHE 120 N 0.18 1.02 -0.35 2.24 3.04 -0.90 -2.01 116.94 120.16 2yz0 h PHE 120 Ca 0.02 -0.56 -0.13 0.00 3.98 0.00 0.00 57.97 61.29 2yz0 h PHE 120 Cb 0.71 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 39.10 2yz0 h PHE 120 CO 0.01 1.39 -0.28 1.79 -2.02 0.00 0.00 178.31 179.20 2yz0 h THR 121 N 0.38 1.29 -0.15 4.41 1.35 -0.87 -1.91 112.91 117.41 2yz0 h THR 121 Ca -0.13 -1.45 -0.04 0.00 -0.55 0.00 0.00 66.41 64.24 2yz0 h THR 121 Cb 1.70 1.44 -0.00 0.00 -1.73 0.00 0.00 68.15 69.56 2yz0 h THR 121 CO 0.20 0.47 -0.07 0.06 -0.25 0.00 0.00 175.52 175.94 2yz0 h GLN 122 N 0.59 0.31 -0.65 4.72 3.07 -1.25 0.12 115.11 122.02 2yz0 h GLN 122 Ca 0.06 -0.13 0.00 0.00 0.09 0.00 0.00 58.65 58.67 2yz0 h GLN 122 Cb 0.86 -0.01 -0.03 0.00 0.08 0.00 0.00 27.48 28.38 2yz0 h GLN 122 CO 0.07 0.62 0.41 1.05 0.09 0.00 0.00 178.83 181.08 2yz0 h GLU 123 N -0.03 0.87 0.06 0.06 4.11 -1.39 0.20 114.58 118.46 2yz0 h GLU 123 Ca 0.03 -0.06 -0.27 0.00 0.07 0.00 0.00 59.36 59.13 2yz0 h GLU 123 Cb 0.53 -0.19 0.02 0.00 0.50 0.00 0.00 28.75 29.61 2yz0 h GLU 123 CO 0.02 0.59 -1.12 0.87 0.07 0.00 0.00 179.01 179.44 2yz0 h LYS 124 N 0.89 0.57 -0.35 1.06 6.56 -1.26 -2.76 116.57 121.27 2yz0 h LYS 124 Ca 0.24 -0.69 -0.08 0.00 -1.06 0.00 0.00 60.65 59.05 2yz0 h LYS 124 Cb -0.07 0.22 -0.01 0.00 -0.57 0.00 0.00 32.23 31.80 2yz0 h LYS 124 CO -0.05 1.29 -0.11 1.25 -2.06 0.00 0.00 179.45 179.77 2yz0 h LEU 125 N 0.28 0.71 -0.56 2.94 5.85 -0.30 -1.66 115.31 122.58 2yz0 h LEU 125 Ca -0.14 -0.38 -0.03 0.00 0.84 0.00 0.00 57.88 58.17 2yz0 h LEU 125 Cb 1.79 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.60 2yz0 h LEU 125 CO 0.21 0.92 0.22 -2.24 -0.34 0.00 0.00 178.44 177.22 2yz0 h ASP 126 N 0.49 0.76 0.39 1.25 3.04 -0.71 -0.86 116.42 120.78 2yz0 h ASP 126 Ca 0.09 -0.17 -0.07 0.00 -3.24 0.00 0.00 57.03 53.64 2yz0 h ASP 126 Cb 0.63 -0.20 -0.01 0.00 -1.04 0.00 0.00 39.33 38.71 2yz0 h ASP 126 CO 0.04 0.72 -0.33 1.05 -2.04 0.00 0.00 179.24 178.68 2yz0 h GLU 127 N 0.76 0.00 0.31 4.15 -0.00 -1.43 -3.13 114.58 115.23 2yz0 h GLU 127 Ca 0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.53 2yz0 h GLU 127 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.95 2yz0 h GLU 127 CO -0.02 0.33 -0.15 0.35 -0.00 0.00 0.00 179.01 179.53 2yz0 h PHE 128 N 0.00 -0.38 -0.98 2.06 3.04 -0.80 -3.22 116.94 116.65 2yz0 h PHE 128 Ca -0.00 -0.01 0.38 0.00 3.98 0.00 0.00 57.97 62.32 2yz0 h PHE 128 Cb 0.62 0.13 -0.18 0.00 2.56 0.00 0.00 35.95 39.08 2yz0 h PHE 128 CO 0.00 -0.22 0.43 0.94 -2.02 0.00 0.00 178.31 177.44 2yz0 n GLN 129 N -5.05 -0.06 -0.29 1.11 0.00 -0.37 0.18 117.38 112.89 2yz0 n GLN 129 Ca -0.05 1.37 -0.05 0.00 -0.00 0.00 0.00 57.00 58.27 2yz0 n GLN 129 Cb 0.17 -2.40 0.07 0.00 0.00 0.00 0.00 30.24 28.08 2yz0 n GLN 129 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.06 176.09 2yz0 h ASN 130 N 0.00 0.95 -3.05 1.69 -1.24 -1.61 -3.34 115.58 108.98 2yz0 h ASN 130 Ca 0.79 -0.06 -0.61 0.00 0.71 0.00 0.00 56.30 57.12 2yz0 h ASN 130 Cb 2.01 -0.24 -0.40 0.00 0.73 0.00 0.00 38.32 40.42 2yz0 h ASN 130 CO -0.78 0.73 -0.74 0.68 -1.29 0.00 0.00 177.43 176.03 2yz0 s VAL 131 N -5.98 1.72 0.05 2.57 -7.23 0.48 -5.10 120.40 106.91 2yz0 s VAL 131 Ca -0.13 -3.28 0.07 0.00 -1.81 0.00 0.00 61.98 56.83 2yz0 s VAL 131 Cb 0.15 -2.16 -0.03 0.00 0.56 0.00 0.00 36.38 34.90 2yz0 s VAL 131 CO 0.80 -1.03 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.69 2yz0 s VAL 132 N -0.46 2.81 -0.08 1.32 1.01 -0.99 -4.77 120.40 119.23 2yz0 s VAL 132 Ca 0.25 -1.23 -0.36 0.00 0.00 0.00 0.00 61.98 60.64 2yz0 s VAL 132 Cb -0.09 -2.20 -0.13 0.00 0.00 0.00 0.00 36.38 33.96 2yz0 s VAL 132 CO -0.12 0.30 1.76 -0.46 0.00 0.00 0.00 175.10 176.58 2yz0 n ASN 133 N 1.44 2.99 -2.92 3.32 6.94 -1.26 -3.82 115.26 121.96 2yz0 n ASN 133 Ca -0.16 1.03 -0.02 0.00 -0.02 0.00 0.00 54.58 55.41 2yz0 n ASN 133 Cb 0.52 -1.31 -0.02 0.00 -2.36 0.00 0.00 39.78 36.62 2yz0 n ASN 133 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 2yz0 n THR 134 N 4.54 -5.62 -0.60 5.53 -1.04 -1.26 -4.90 114.28 110.93 2yz0 n THR 134 Ca 0.22 1.07 -0.30 0.00 -2.04 0.00 0.00 64.05 63.00 2yz0 n THR 134 Cb 0.24 -4.12 0.20 0.00 -1.82 0.00 0.00 70.33 64.84 2yz0 n THR 134 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2yz0 n GLN 135 N 2.06 -1.17 -3.69 -2.82 7.27 -1.25 -5.05 117.38 112.72 2yz0 n GLN 135 Ca -0.14 -0.29 -0.10 0.00 0.07 0.00 0.00 57.00 56.54 2yz0 n GLN 135 Cb 0.27 -2.31 -0.04 0.00 2.41 0.00 0.00 30.24 30.56 2yz0 n GLN 135 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2yz0 s SER 136 N -2.56 -0.22 0.01 1.69 0.15 -1.26 -5.17 113.70 106.34 2yz0 s SER 136 Ca 0.68 -0.42 0.05 0.00 0.70 0.00 0.00 55.95 56.96 2yz0 s SER 136 Cb -0.24 0.51 -0.02 0.00 -1.71 0.00 0.00 66.02 64.56 2yz0 s SER 136 CO 0.61 -0.93 -0.17 -0.76 1.20 0.00 0.00 173.24 173.19 2yz0 s LEU 137 N -2.84 2.09 0.00 3.45 1.43 -1.26 -4.74 118.68 116.81 2yz0 s LEU 137 Ca 0.06 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 2yz0 s LEU 137 Cb 0.01 -0.83 0.00 0.00 0.03 0.00 0.00 46.19 45.40 2yz0 s LEU 137 CO -0.08 0.16 0.00 1.21 0.23 0.00 0.00 176.35 177.87