#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xs0 n ASP 2 N 0.00 0.00 0.00 1.69 9.92 -1.26 -3.53 116.55 123.37 1xs0 n ASP 2 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1xs0 n ASP 2 Cb 0.00 -0.48 0.00 0.00 -0.64 0.00 0.00 41.12 40.00 1xs0 n ASP 2 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1xs0 n ASP 3 N 2.30 0.00 -3.62 -2.24 10.43 -1.26 -4.99 116.55 117.17 1xs0 n ASP 3 Ca 0.00 0.00 -0.29 0.00 2.57 0.00 0.00 54.79 57.07 1xs0 n ASP 3 Cb 0.00 0.00 -0.12 0.00 1.84 0.00 0.00 41.12 42.84 1xs0 n ASP 3 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1xs0 s LEU 4 N 0.00 2.32 0.12 0.64 2.96 -1.23 -4.84 118.68 118.64 1xs0 s LEU 4 Ca 0.00 -2.74 -0.00 0.00 -0.22 0.00 0.00 54.13 51.17 1xs0 s LEU 4 Cb 0.00 -0.85 -0.04 0.00 0.50 0.00 0.00 46.19 45.79 1xs0 s LEU 4 CO 0.00 -0.24 0.02 0.42 -1.32 0.00 0.00 176.35 175.23 1xs0 s THR 5 N 0.26 0.26 0.37 3.68 -4.23 -1.26 -1.80 115.64 112.92 1xs0 s THR 5 Ca 0.21 -1.90 0.05 0.00 -1.18 0.00 0.00 61.69 58.87 1xs0 s THR 5 Cb -0.17 -1.91 0.22 0.00 1.34 0.00 0.00 72.50 71.98 1xs0 s THR 5 CO -0.05 -0.61 1.97 0.40 -0.54 0.00 0.00 174.62 175.79 1xs0 h ILE 6 N 2.91 1.15 -0.41 2.99 2.04 -1.91 -1.57 117.51 122.70 1xs0 h ILE 6 Ca -0.35 -0.46 -0.11 0.00 1.00 0.00 0.00 64.86 64.94 1xs0 h ILE 6 Cb 1.18 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1xs0 h ILE 6 CO 0.62 0.18 -0.20 0.77 0.00 0.00 0.00 178.15 179.52 1xs0 h SER 7 N 0.58 0.82 0.67 1.72 4.64 -1.80 0.36 113.55 120.55 1xs0 h SER 7 Ca 0.15 -0.28 -0.12 0.00 -0.47 0.00 0.00 61.79 61.06 1xs0 h SER 7 Cb 0.10 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 1xs0 h SER 7 CO -0.02 1.00 -0.59 0.77 -0.87 0.00 0.00 176.83 177.11 1xs0 h SER 8 N 0.71 0.00 -0.41 4.97 4.64 -1.75 -2.30 113.55 119.40 1xs0 h SER 8 Ca 0.10 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.27 1xs0 h SER 8 Cb 0.71 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 1xs0 h SER 8 CO 0.05 0.59 -0.34 -0.07 -0.87 0.00 0.00 176.83 176.20 1xs0 h LEU 9 N 0.00 1.01 -1.68 5.97 3.38 -0.82 0.14 115.31 123.31 1xs0 h LEU 9 Ca -0.01 -0.44 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 1xs0 h LEU 9 Cb 1.09 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1xs0 h LEU 9 CO 0.08 1.25 -0.18 0.00 0.09 0.00 0.00 178.44 179.67 1xs0 h ALA 10 N 0.81 1.34 0.00 1.53 0.00 -0.65 -3.11 119.26 119.17 1xs0 h ALA 10 Ca 0.08 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1xs0 h ALA 10 Cb 0.93 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1xs0 h ALA 10 CO 0.09 0.23 -2.06 1.63 0.00 0.00 0.00 179.25 179.14 1xs0 n LYS 11 N -3.80 0.71 -1.66 0.00 4.01 -0.89 -4.39 118.16 112.14 1xs0 n LYS 11 Ca -0.02 -0.13 -0.44 0.00 -0.51 0.00 0.00 58.31 57.22 1xs0 n LYS 11 Cb 0.29 -1.49 -0.02 0.00 -0.51 0.00 0.00 35.03 33.31 1xs0 n LYS 11 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1xs0 n GLY 12 N 1.50 0.39 0.32 0.72 0.00 0.48 -4.74 105.19 103.85 1xs0 n GLY 12 Ca -0.13 0.38 0.02 0.00 0.00 0.00 0.00 46.02 46.29 1xs0 n GLY 12 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xs0 h GLU 13 N 2.88 0.89 -0.38 1.61 4.57 -1.91 0.12 114.58 122.36 1xs0 h GLU 13 Ca -0.44 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1xs0 h GLU 13 Cb 1.30 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 1xs0 h GLU 13 CO 0.66 0.59 0.00 0.25 -1.18 0.00 0.00 179.01 179.33 1xs0 n THR 14 N -4.66 0.49 0.00 0.32 -2.24 -1.26 -4.28 114.28 102.66 1xs0 n THR 14 Ca 0.13 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1xs0 n THR 14 Cb 0.21 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 1xs0 n THR 14 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1xs0 n THR 15 N 1.11 0.00 0.06 4.28 -2.24 -0.80 -4.82 114.28 111.87 1xs0 n THR 15 Ca 0.18 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.00 1xs0 n THR 15 Cb 0.50 0.30 0.42 0.00 -2.10 0.00 0.00 70.33 69.45 1xs0 n THR 15 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1xs0 h LYS 16 N 0.00 0.39 -0.13 -0.78 2.10 -0.73 0.16 116.57 117.58 1xs0 h LYS 16 Ca 0.00 -0.05 -0.17 0.00 -2.00 0.00 0.00 60.65 58.43 1xs0 h LYS 16 Cb 0.03 -0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 31.28 1xs0 h LYS 16 CO 0.00 0.35 -0.64 0.00 -2.00 0.00 0.00 179.45 177.16 1xs0 h ALA 17 N 1.71 0.64 -0.45 0.07 0.00 -1.84 0.67 119.26 120.06 1xs0 h ALA 17 Ca 0.10 -0.56 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 1xs0 h ALA 17 Cb 0.13 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1xs0 h ALA 17 CO -0.01 0.72 -0.15 0.00 0.00 0.00 0.00 179.25 179.82 1xs0 h ALA 18 N 0.95 0.88 -0.34 0.00 0.00 -1.73 -0.18 119.26 118.84 1xs0 h ALA 18 Ca -0.01 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 1xs0 h ALA 18 Cb 1.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1xs0 h ALA 18 CO 0.12 0.64 -0.02 0.35 0.00 0.00 0.00 179.25 180.33 1xs0 h PHE 19 N 0.76 0.67 -0.15 0.00 3.57 -0.75 -0.52 116.94 120.52 1xs0 h PHE 19 Ca 0.12 -0.12 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1xs0 h PHE 19 Cb 0.67 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1xs0 h PHE 19 CO 0.04 0.74 -0.03 -0.91 -2.23 0.00 0.00 178.31 175.92 1xs0 h ASN 20 N 0.41 0.20 -0.24 0.41 2.35 -0.58 -1.87 115.58 116.26 1xs0 h ASN 20 Ca 0.09 -0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.72 1xs0 h ASN 20 Cb 0.49 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.80 1xs0 h ASN 20 CO 0.02 0.27 -0.25 -0.61 -1.65 0.00 0.00 177.43 175.21 1xs0 h GLN 21 N 0.22 0.59 -0.85 0.81 5.75 -0.64 -1.59 115.11 119.40 1xs0 h GLN 21 Ca 0.05 -0.32 0.08 0.00 -0.15 0.00 0.00 58.65 58.31 1xs0 h GLN 21 Cb 0.20 0.01 -0.07 0.00 1.07 0.00 0.00 27.48 28.70 1xs0 h GLN 21 CO 0.01 0.91 0.51 1.98 -2.65 0.00 0.00 178.83 179.59 1xs0 h MET 22 N 0.29 0.88 -0.08 1.69 4.05 -0.34 -1.61 114.93 119.81 1xs0 h MET 22 Ca 0.04 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1xs0 h MET 22 Cb 0.81 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.41 1xs0 h MET 22 CO 0.06 0.58 0.00 1.33 0.23 0.00 0.00 176.91 179.11 1xs0 n VAL 23 N -4.67 0.09 -1.68 -5.77 0.24 -0.80 -4.07 118.33 101.68 1xs0 n VAL 23 Ca 0.13 -0.34 -0.43 0.00 -2.04 0.00 0.00 64.34 61.66 1xs0 n VAL 23 Cb 0.22 0.61 -0.03 0.00 -1.47 0.00 0.00 33.84 33.17 1xs0 n VAL 23 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1xs0 n GLN 24 N 0.44 2.75 -0.94 7.34 7.27 -0.60 -1.18 117.38 132.45 1xs0 n GLN 24 Ca 0.18 1.00 0.00 0.00 0.07 0.00 0.00 57.00 58.25 1xs0 n GLN 24 Cb 0.39 -2.92 0.00 0.00 2.41 0.00 0.00 30.24 30.13 1xs0 n GLN 24 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1xs0 n GLY 25 N 4.36 0.57 0.68 1.69 0.00 -1.26 -4.93 105.19 106.30 1xs0 n GLY 25 Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.31 1xs0 n GLY 25 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xs0 n HIS 26 N -2.84 0.00 -4.08 1.61 8.25 -0.33 -5.03 115.22 112.80 1xs0 n HIS 26 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 1xs0 n HIS 26 Cb 0.00 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 1xs0 n HIS 26 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1xs0 n LYS 27 N 0.77 -1.01 -3.09 -0.41 0.00 -1.26 -4.93 118.16 108.23 1xs0 n LYS 27 Ca 0.10 0.18 -0.33 0.00 -0.00 0.00 0.00 58.31 58.26 1xs0 n LYS 27 Cb 0.46 -3.33 -0.06 0.00 -0.00 0.00 0.00 35.03 32.09 1xs0 n LYS 27 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1xs0 s LEU 28 N -7.24 4.09 0.75 -5.58 1.43 -1.26 -5.04 118.68 105.82 1xs0 s LEU 28 Ca 0.28 1.36 -0.15 0.00 -1.03 0.00 0.00 54.13 54.59 1xs0 s LEU 28 Cb -0.14 -4.08 0.05 0.00 0.03 0.00 0.00 46.19 42.05 1xs0 s LEU 28 CO 0.95 -0.19 1.24 -2.16 0.23 0.00 0.00 176.35 176.42 1xs0 s PRO 29 N -2.86 1.98 0.48 1.29 0.04 -1.26 -4.91 135.00 129.77 1xs0 s PRO 29 Ca 0.54 1.87 0.18 0.00 0.04 0.00 0.00 61.00 63.63 1xs0 s PRO 29 Cb -0.11 -1.80 1.20 0.00 0.04 0.00 0.00 34.50 33.82 1xs0 s PRO 29 CO 0.17 -1.98 2.00 0.00 0.04 0.00 0.00 177.00 177.24 1xs0 h ALA 30 N -0.36 2.20 0.00 8.56 0.00 -2.01 -2.18 119.26 125.47 1xs0 h ALA 30 Ca -0.48 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1xs0 h ALA 30 Cb 1.31 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1xs0 h ALA 30 CO 0.49 -0.32 -0.06 0.11 0.00 0.00 0.00 179.25 179.47 1xs0 h TRP 31 N 0.21 0.00 0.09 0.00 5.08 -1.91 -1.71 115.95 117.72 1xs0 h TRP 31 Ca 0.24 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 60.20 1xs0 h TRP 31 Cb 0.66 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.82 1xs0 h TRP 31 CO -0.00 0.06 -0.05 0.28 -1.28 0.00 0.00 178.44 177.45 1xs0 h VAL 32 N 0.00 0.95 0.01 0.12 2.07 -1.73 -1.79 116.25 115.88 1xs0 h VAL 32 Ca -0.00 -0.15 -0.11 0.00 0.82 0.00 0.00 66.70 67.26 1xs0 h VAL 32 Cb 0.22 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1xs0 h VAL 32 CO 0.01 0.04 -0.59 0.24 0.02 0.00 0.00 177.57 177.28 1xs0 h MET 33 N -0.19 0.03 0.00 1.57 2.86 -1.72 -3.39 114.93 114.09 1xs0 h MET 33 Ca -0.01 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1xs0 h MET 33 Cb 0.16 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.84 1xs0 h MET 33 CO 0.02 1.02 0.00 1.17 1.06 0.00 0.00 176.91 180.18 1xs0 n LYS 34 N -4.48 0.00 -3.89 1.72 0.00 -0.66 -4.54 118.16 106.32 1xs0 n LYS 34 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 58.31 57.82 1xs0 n LYS 34 Cb 0.60 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 35.48 1xs0 n LYS 34 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1xs0 s GLY 35 N 0.00 1.94 0.47 3.14 0.00 -1.20 -4.89 107.32 106.78 1xs0 s GLY 35 Ca 0.00 -2.70 0.03 0.00 0.00 0.00 0.00 44.72 42.05 1xs0 s GLY 35 CO 0.00 1.19 0.22 0.61 0.00 0.00 0.00 173.10 175.11 1xs0 n GLY 36 N 3.77 3.12 3.92 0.20 0.00 -0.68 -4.69 105.19 110.84 1xs0 n GLY 36 Ca 0.05 -2.31 -0.31 0.00 0.00 0.00 0.00 46.02 43.44 1xs0 n GLY 36 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xs0 s THR 37 N -2.49 5.37 0.09 2.61 2.01 -0.21 -4.90 115.64 118.12 1xs0 s THR 37 Ca 0.17 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 61.81 1xs0 s THR 37 Cb -0.01 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 1xs0 s THR 37 CO 0.10 0.12 -0.02 -0.72 -0.69 0.00 0.00 174.62 173.42 1xs0 s TYR 38 N -1.53 0.76 -0.10 4.92 1.13 -1.26 -0.85 117.35 120.43 1xs0 s TYR 38 Ca 0.36 -1.05 -0.05 0.00 -1.41 0.00 0.00 57.07 54.91 1xs0 s TYR 38 Cb -0.13 -0.47 -0.04 0.00 -1.10 0.00 0.00 41.96 40.22 1xs0 s TYR 38 CO 0.28 -0.33 0.09 0.99 -2.51 0.00 0.00 175.55 174.07 1xs0 s THR 39 N -3.84 5.04 0.50 -3.49 2.01 -0.78 -4.99 115.64 110.10 1xs0 s THR 39 Ca 0.13 0.01 -0.23 0.00 0.31 0.00 0.00 61.69 61.91 1xs0 s THR 39 Cb 0.07 -3.18 -0.06 0.00 0.01 0.00 0.00 72.50 69.33 1xs0 s THR 39 CO -0.05 0.59 1.37 -2.84 -0.69 0.00 0.00 174.62 173.01 1xs0 s PRO 40 N -1.04 3.39 0.51 4.92 0.02 -1.26 -4.09 135.00 137.45 1xs0 s PRO 40 Ca 0.15 2.28 -0.23 0.00 0.02 0.00 0.00 61.00 63.23 1xs0 s PRO 40 Cb -0.12 -2.43 -0.06 0.00 0.02 0.00 0.00 34.50 31.92 1xs0 s PRO 40 CO 0.04 -1.01 1.34 0.00 -0.33 0.00 0.00 177.00 177.05 1xs0 s ALA 41 N -1.27 2.93 0.04 -1.55 0.00 -1.26 -4.58 121.76 116.06 1xs0 s ALA 41 Ca 0.67 1.31 0.07 0.00 0.00 0.00 0.00 51.96 54.01 1xs0 s ALA 41 Cb -0.41 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.14 1xs0 s ALA 41 CO 0.50 -1.24 -0.22 -0.65 0.00 0.00 0.00 175.76 174.16 1xs0 s GLN 42 N -2.77 1.49 -0.09 0.00 -1.52 -0.38 -4.72 119.66 111.66 1xs0 s GLN 42 Ca 0.68 -0.94 -0.16 0.00 -1.95 0.00 0.00 55.36 52.99 1xs0 s GLN 42 Cb -0.39 -1.59 -0.05 0.00 -0.22 0.00 0.00 33.01 30.76 1xs0 s GLN 42 CO 0.48 0.41 0.42 0.99 -0.25 0.00 0.00 175.29 177.34 1xs0 s THR 43 N -0.76 5.16 0.01 -0.19 2.01 -1.26 0.11 115.64 120.71 1xs0 s THR 43 Ca 0.08 0.85 0.02 0.00 0.31 0.00 0.00 61.69 62.95 1xs0 s THR 43 Cb -0.09 -3.75 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 1xs0 s THR 43 CO 0.01 0.41 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.61 1xs0 s VAL 44 N 0.08 0.45 -0.13 3.82 1.01 0.44 -4.93 120.40 121.14 1xs0 s VAL 44 Ca 0.24 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1xs0 s VAL 44 Cb -0.15 -0.42 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 1xs0 s VAL 44 CO 0.10 0.01 -0.17 -0.89 0.00 0.00 0.00 175.10 174.15 1xs0 s THR 45 N -0.40 2.60 -0.31 3.92 2.01 -1.26 -0.26 115.64 121.95 1xs0 s THR 45 Ca -0.00 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.19 1xs0 s THR 45 Cb -0.04 -2.07 0.07 0.00 0.01 0.00 0.00 72.50 70.47 1xs0 s THR 45 CO -0.00 0.53 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.70 1xs0 s LEU 46 N 0.52 4.03 0.00 4.42 1.43 0.10 -0.41 118.68 128.77 1xs0 s LEU 46 Ca -0.11 -1.51 0.00 0.00 -1.03 0.00 0.00 54.13 51.48 1xs0 s LEU 46 Cb -0.16 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.39 1xs0 s LEU 46 CO 0.04 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 176.95 1xs0 n GLY 47 N 4.51 1.80 0.01 -3.19 0.00 0.19 -2.48 105.19 106.02 1xs0 n GLY 47 Ca -0.10 -0.17 0.08 0.00 0.00 0.00 0.00 46.02 45.83 1xs0 n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xs0 n ASP 48 N 10.17 1.16 -4.88 1.61 10.43 -1.26 -4.77 116.55 129.01 1xs0 n ASP 48 Ca 0.00 0.00 -0.35 0.00 2.57 0.00 0.00 54.79 57.01 1xs0 n ASP 48 Cb 0.00 1.76 -0.05 0.00 1.84 0.00 0.00 41.12 44.67 1xs0 n ASP 48 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1xs0 s GLU 49 N -3.16 3.60 -0.09 -1.24 0.41 -1.04 -5.09 118.70 112.08 1xs0 s GLU 49 Ca -0.06 -0.04 -0.01 0.00 -0.41 0.00 0.00 54.97 54.45 1xs0 s GLU 49 Cb 0.11 -3.09 -0.03 0.00 -1.78 0.00 0.00 34.13 29.34 1xs0 s GLU 49 CO 0.70 0.66 -0.05 0.99 -0.49 0.00 0.00 175.26 177.06 1xs0 s THR 50 N -1.27 3.83 0.15 3.63 2.01 -1.26 -0.72 115.64 122.00 1xs0 s THR 50 Ca 0.27 -0.42 0.05 0.00 0.31 0.00 0.00 61.69 61.90 1xs0 s THR 50 Cb -0.13 -2.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.73 1xs0 s THR 50 CO 0.15 0.57 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.22 1xs0 s TYR 51 N -0.49 1.37 -0.24 4.92 1.51 0.64 -4.56 117.35 120.50 1xs0 s TYR 51 Ca 0.07 -0.66 -0.13 0.00 -1.01 0.00 0.00 57.07 55.34 1xs0 s TYR 51 Cb -0.12 -0.69 -0.04 0.00 -0.11 0.00 0.00 41.96 41.00 1xs0 s TYR 51 CO 0.02 0.14 0.29 -0.65 -1.11 0.00 0.00 175.55 174.24 1xs0 s GLN 52 N -3.34 4.07 -0.18 -0.62 -1.52 0.16 -0.42 119.66 117.80 1xs0 s GLN 52 Ca 0.15 -0.06 -0.03 0.00 -1.95 0.00 0.00 55.36 53.46 1xs0 s GLN 52 Cb -0.01 -3.59 -0.02 0.00 -0.22 0.00 0.00 33.01 29.18 1xs0 s GLN 52 CO 0.02 -0.09 -0.05 0.08 -0.25 0.00 0.00 175.29 175.00 1xs0 s VAL 53 N 1.49 3.57 0.22 1.09 1.01 0.12 -0.67 120.40 127.22 1xs0 s VAL 53 Ca 0.13 -0.45 0.08 0.00 0.00 0.00 0.00 61.98 61.73 1xs0 s VAL 53 Cb -0.15 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 1xs0 s VAL 53 CO 0.08 0.47 -0.13 -0.04 0.00 0.00 0.00 175.10 175.48 1xs0 s MET 54 N 0.82 1.38 0.17 2.72 -1.94 -0.01 -1.25 119.30 121.18 1xs0 s MET 54 Ca -0.02 -1.63 -0.08 0.00 -1.71 0.00 0.00 55.69 52.25 1xs0 s MET 54 Cb -0.15 -1.14 -0.01 0.00 2.01 0.00 0.00 34.83 35.54 1xs0 s MET 54 CO 0.02 0.16 0.28 -1.54 -0.01 0.00 0.00 175.02 173.92 1xs0 s SER 55 N -3.35 0.05 0.15 3.03 1.04 -1.26 -0.63 113.70 112.74 1xs0 s SER 55 Ca 0.24 -0.91 -0.24 0.00 0.48 0.00 0.00 55.95 55.53 1xs0 s SER 55 Cb 0.00 0.44 0.07 0.00 0.10 0.00 0.00 66.02 66.63 1xs0 s SER 55 CO 0.08 -0.90 0.61 0.00 0.98 0.00 0.00 173.24 174.01 1xs0 s ALA 56 N -3.98 -1.61 0.20 5.32 0.00 -0.46 -1.87 121.76 119.36 1xs0 s ALA 56 Ca 0.19 0.54 -0.04 0.00 0.00 0.00 0.00 51.96 52.65 1xs0 s ALA 56 Cb 0.03 0.83 -0.03 0.00 0.00 0.00 0.00 23.12 23.96 1xs0 s ALA 56 CO 0.01 -0.75 0.21 0.00 0.00 0.00 0.00 175.76 175.24 1xs0 s LYS 58 N -4.09 4.18 0.28 0.00 2.20 -0.51 -1.04 119.74 120.75 1xs0 s LYS 58 Ca 0.31 2.23 -0.30 0.00 -0.36 0.00 0.00 55.97 57.85 1xs0 s LYS 58 Cb 0.05 -3.99 -0.13 0.00 -1.51 0.00 0.00 37.83 32.25 1xs0 s LYS 58 CO 0.09 -0.85 1.44 -2.30 -0.36 0.00 0.00 175.35 173.36 1xs0 n PRO 59 N 7.12 2.25 -0.85 4.03 -0.02 -1.26 -1.15 135.00 145.11 1xs0 n PRO 59 Ca 0.17 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 1xs0 n PRO 59 Cb 0.43 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 1xs0 n PRO 59 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1xs0 n HIS 60 N 1.60 0.00 -2.69 6.00 8.25 -1.26 -4.70 115.22 122.42 1xs0 n HIS 60 Ca 0.09 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.48 1xs0 n HIS 60 Cb 0.34 -1.15 0.09 0.00 1.12 0.00 0.00 29.99 30.39 1xs0 n HIS 60 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1xs0 n ASP 61 N -0.35 -0.74 -0.05 0.41 -0.08 -0.30 -4.98 116.55 110.46 1xs0 n ASP 61 Ca 0.00 -2.50 0.03 0.00 -1.51 0.00 0.00 54.79 50.81 1xs0 n ASP 61 Cb 0.18 0.47 0.39 0.00 2.34 0.00 0.00 41.12 44.50 1xs0 n ASP 61 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xs0 n GLY 63 N -1.46 -1.24 0.11 0.00 0.00 -1.26 -3.94 105.19 97.39 1xs0 n GLY 63 Ca 0.04 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 1xs0 n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xs0 n SER 64 N -1.33 0.97 -3.74 1.61 7.64 -0.62 -4.81 113.62 113.35 1xs0 n SER 64 Ca 0.12 0.07 -0.16 0.00 1.01 0.00 0.00 58.87 59.90 1xs0 n SER 64 Cb 0.24 0.18 -0.16 0.00 -1.01 0.00 0.00 64.21 63.46 1xs0 n SER 64 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1xs0 s GLN 65 N -2.53 -0.04 0.16 1.43 -0.21 -1.20 -0.41 119.66 116.86 1xs0 s GLN 65 Ca -0.17 0.27 -0.12 0.00 0.02 0.00 0.00 55.36 55.35 1xs0 s GLN 65 Cb 0.07 -0.32 0.01 0.00 1.00 0.00 0.00 33.01 33.77 1xs0 s GLN 65 CO 0.76 -0.22 0.35 -0.98 -2.12 0.00 0.00 175.29 173.08 1xs0 s ARG 66 N 1.43 1.16 -0.01 2.91 3.03 -0.64 -1.43 118.95 125.40 1xs0 s ARG 66 Ca -0.05 -1.00 -0.09 0.00 2.03 0.00 0.00 55.73 56.62 1xs0 s ARG 66 Cb -0.13 0.42 0.01 0.00 -1.03 0.00 0.00 34.95 34.22 1xs0 s ARG 66 CO -0.03 -0.44 0.17 -1.50 -1.13 0.00 0.00 175.30 172.37 1xs0 s ILE 67 N -3.91 0.07 0.02 4.99 2.07 0.16 -0.96 121.20 123.64 1xs0 s ILE 67 Ca 0.11 -0.60 0.04 0.00 -1.41 0.00 0.00 60.65 58.79 1xs0 s ILE 67 Cb 0.02 -0.45 -0.02 0.00 0.13 0.00 0.00 42.46 42.14 1xs0 s ILE 67 CO -0.04 -0.33 -0.11 0.00 -1.91 0.00 0.00 174.94 172.55 1xs0 s ALA 68 N -1.26 0.92 -0.01 1.50 0.00 -0.07 -1.35 121.76 121.49 1xs0 s ALA 68 Ca -0.13 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.18 1xs0 s ALA 68 Cb -0.07 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.91 1xs0 s ALA 68 CO 0.02 0.17 -0.06 0.08 0.00 0.00 0.00 175.76 175.96 1xs0 s VAL 69 N -0.72 0.54 -0.18 0.00 1.01 0.20 -0.59 120.40 120.65 1xs0 s VAL 69 Ca 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 1xs0 s VAL 69 Cb -0.07 -0.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.82 1xs0 s VAL 69 CO 0.01 0.17 -0.05 -0.04 0.00 0.00 0.00 175.10 175.18 1xs0 s MET 70 N 0.08 3.49 -0.04 2.72 -1.94 0.26 -0.83 119.30 123.05 1xs0 s MET 70 Ca -0.01 -0.59 0.03 0.00 -1.71 0.00 0.00 55.69 53.41 1xs0 s MET 70 Cb -0.05 -2.93 0.00 0.00 2.01 0.00 0.00 34.83 33.86 1xs0 s MET 70 CO -0.00 0.02 -0.11 -0.46 -0.01 0.00 0.00 175.02 174.46 1xs0 s TRP 71 N 0.92 1.17 -0.36 -0.03 -0.00 0.15 -0.72 118.94 120.09 1xs0 s TRP 71 Ca -0.01 -0.33 -0.20 0.00 -0.00 0.00 0.00 56.10 55.57 1xs0 s TRP 71 Cb -0.15 -0.84 0.00 0.00 -0.00 0.00 0.00 33.47 32.49 1xs0 s TRP 71 CO 0.01 -0.14 0.60 0.45 -0.00 0.00 0.00 176.95 177.86 1xs0 s SER 72 N 0.27 6.39 0.58 5.86 0.15 -0.26 0.36 113.70 127.05 1xs0 s SER 72 Ca -0.05 0.08 0.34 0.00 0.70 0.00 0.00 55.95 57.02 1xs0 s SER 72 Cb -0.11 -2.31 1.72 0.00 -1.71 0.00 0.00 66.02 63.62 1xs0 s SER 72 CO 0.01 -0.56 2.14 -0.33 1.20 0.00 0.00 173.24 175.70 1xs0 h GLU 73 N 8.47 0.00 0.24 5.44 5.08 -1.90 0.18 114.58 132.10 1xs0 h GLU 73 Ca -0.27 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 57.76 1xs0 h GLU 73 Cb 1.11 0.00 0.04 0.00 0.50 0.00 0.00 28.75 30.40 1xs0 h GLU 73 CO 0.82 0.05 -1.47 -0.22 -1.00 0.00 0.00 179.01 177.19 1xs0 h LYS 74 N 0.00 0.52 -0.01 2.33 3.64 -1.91 -3.38 116.57 117.76 1xs0 h LYS 74 Ca -0.00 -0.88 0.00 0.00 -1.27 0.00 0.00 60.65 58.50 1xs0 h LYS 74 Cb 0.29 0.33 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1xs0 h LYS 74 CO 0.01 1.42 -0.39 -1.13 -2.27 0.00 0.00 179.45 177.09 1xs0 n SER 75 N -3.70 1.21 0.00 4.20 3.41 -1.15 -4.97 113.62 112.62 1xs0 n SER 75 Ca -0.16 -1.11 0.00 0.00 -0.26 0.00 0.00 58.87 57.34 1xs0 n SER 75 Cb 1.10 0.63 0.00 0.00 -0.26 0.00 0.00 64.21 65.68 1xs0 n SER 75 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1xs0 n ASN 76 N -0.52 -2.25 -4.78 4.04 4.05 0.63 -5.00 115.26 111.42 1xs0 n ASN 76 Ca 0.05 0.00 -0.37 0.00 0.45 0.00 0.00 54.58 54.70 1xs0 n ASN 76 Cb 0.27 -1.68 -0.06 0.00 1.23 0.00 0.00 39.78 39.54 1xs0 n ASN 76 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1xs0 s GLN 77 N -0.78 4.58 0.02 1.20 -1.52 -1.25 -4.78 119.66 117.13 1xs0 s GLN 77 Ca 0.00 1.40 0.00 0.00 -1.95 0.00 0.00 55.36 54.81 1xs0 s GLN 77 Cb 0.00 -2.86 -0.02 0.00 -0.22 0.00 0.00 33.01 29.92 1xs0 s GLN 77 CO 0.00 0.26 -0.03 0.00 -0.25 0.00 0.00 175.29 175.27 1xs0 s MET 78 N -1.95 0.27 0.10 2.91 0.23 -1.26 -1.10 119.30 118.50 1xs0 s MET 78 Ca 0.49 -0.51 0.03 0.00 -1.03 0.00 0.00 55.69 54.67 1xs0 s MET 78 Cb -0.21 0.08 -0.04 0.00 -1.53 0.00 0.00 34.83 33.13 1xs0 s MET 78 CO 0.26 -0.04 -0.08 0.99 -2.03 0.00 0.00 175.02 174.12 1xs0 s THR 79 N -1.21 0.86 0.33 3.16 2.01 0.11 -4.89 115.64 116.00 1xs0 s THR 79 Ca -0.13 -1.82 -0.08 0.00 0.31 0.00 0.00 61.69 59.97 1xs0 s THR 79 Cb -0.08 -1.55 0.01 0.00 0.01 0.00 0.00 72.50 70.89 1xs0 s THR 79 CO -0.01 -0.72 0.54 -0.83 -0.69 0.00 0.00 174.62 172.91 1xs0 s GLY 80 N -2.80 1.01 -0.15 4.40 0.00 -0.64 -0.57 107.32 108.58 1xs0 s GLY 80 Ca 0.10 -1.19 -0.07 0.00 0.00 0.00 0.00 44.72 43.55 1xs0 s GLY 80 CO -0.02 -0.76 0.34 -2.27 0.00 0.00 0.00 173.10 170.39 1xs0 s LEU 81 N -3.15 -0.04 -0.06 0.66 2.96 0.24 -0.39 118.68 118.90 1xs0 s LEU 81 Ca 0.25 0.74 0.03 0.00 -0.22 0.00 0.00 54.13 54.94 1xs0 s LEU 81 Cb -0.01 1.05 -0.02 0.00 0.50 0.00 0.00 46.19 47.70 1xs0 s LEU 81 CO 0.16 -0.20 -0.14 0.12 -1.32 0.00 0.00 176.35 174.97 1xs0 s PHE 82 N 1.68 2.72 -0.04 5.38 5.36 -0.18 -0.89 117.98 132.02 1xs0 s PHE 82 Ca -0.07 -0.20 0.03 0.00 -0.96 0.00 0.00 56.93 55.73 1xs0 s PHE 82 Cb -0.10 -1.65 0.01 0.00 -0.34 0.00 0.00 43.02 40.93 1xs0 s PHE 82 CO -0.11 0.15 -0.10 0.45 -1.46 0.00 0.00 175.22 174.15 1xs0 s SER 83 N -0.63 1.43 -0.03 6.13 0.15 -0.14 -0.38 113.70 120.23 1xs0 s SER 83 Ca 0.09 -0.23 0.04 0.00 0.70 0.00 0.00 55.95 56.55 1xs0 s SER 83 Cb -0.11 -0.46 -0.00 0.00 -1.71 0.00 0.00 66.02 63.73 1xs0 s SER 83 CO 0.01 0.06 -0.14 0.42 1.20 0.00 0.00 173.24 174.79 1xs0 s THR 84 N 0.31 1.18 -0.18 6.45 -4.23 -0.75 -1.62 115.64 116.81 1xs0 s THR 84 Ca -0.06 -0.59 -0.08 0.00 -1.18 0.00 0.00 61.69 59.78 1xs0 s THR 84 Cb -0.11 -1.02 -0.04 0.00 1.34 0.00 0.00 72.50 72.67 1xs0 s THR 84 CO 0.01 0.35 0.09 -0.63 -0.54 0.00 0.00 174.62 173.90 1xs0 s ILE 85 N 0.00 5.06 0.00 2.99 1.01 0.46 -0.76 121.20 129.96 1xs0 s ILE 85 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.69 1xs0 s ILE 85 Cb -0.09 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.10 1xs0 s ILE 85 CO 0.01 0.48 0.00 -0.67 0.00 0.00 0.00 174.94 174.76 1xs0 n ASP 86 N 3.31 0.00 0.00 3.58 4.64 0.11 -4.92 116.55 123.26 1xs0 n ASP 86 Ca -0.17 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.24 1xs0 n ASP 86 Cb 0.52 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.60 1xs0 n ASP 86 CO 0.00 0.00 0.00 1.21 -0.82 0.00 0.00 177.20 177.59 1xs0 n GLU 87 N 0.00 0.00 -0.03 -0.67 4.07 -1.26 -4.82 120.64 117.93 1xs0 n GLU 87 Ca 0.00 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.03 1xs0 n GLU 87 Cb 0.00 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.36 1xs0 n GLU 87 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1xs0 n LYS 88 N 0.00 0.14 0.00 5.31 5.02 -1.26 -5.22 118.16 122.15 1xs0 n LYS 88 Ca 0.00 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1xs0 n LYS 88 Cb 0.00 -0.74 0.00 0.00 -0.02 0.00 0.00 35.03 34.27 1xs0 n LYS 88 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1xs0 n GLN 91 N -3.28 0.00 -4.34 1.97 6.02 -1.26 -5.23 117.38 111.26 1xs0 n GLN 91 Ca -0.13 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.52 1xs0 n GLN 91 Cb 0.59 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.72 1xs0 n GLN 91 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1xs0 s GLU 92 N -2.00 3.56 -0.23 -1.09 2.12 -1.26 -0.71 118.70 119.09 1xs0 s GLU 92 Ca 0.00 -0.57 -0.06 0.00 0.36 0.00 0.00 54.97 54.70 1xs0 s GLU 92 Cb 0.00 -2.90 -0.02 0.00 0.26 0.00 0.00 34.13 31.46 1xs0 s GLU 92 CO 0.00 0.13 0.03 0.15 -0.54 0.00 0.00 175.26 175.02 1xs0 s LYS 93 N 0.65 3.59 -0.12 4.30 1.02 0.06 -4.95 119.74 124.30 1xs0 s LYS 93 Ca -0.03 -0.52 -0.04 0.00 0.02 0.00 0.00 55.97 55.40 1xs0 s LYS 93 Cb -0.15 -3.19 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 1xs0 s LYS 93 CO 0.02 -0.13 0.05 -0.51 -0.92 0.00 0.00 175.35 173.87 1xs0 s LEU 94 N 1.41 3.85 -0.16 3.17 1.43 -1.26 -1.80 118.68 125.31 1xs0 s LEU 94 Ca 0.05 0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.38 1xs0 s LEU 94 Cb -0.15 -1.92 0.02 0.00 0.03 0.00 0.00 46.19 44.18 1xs0 s LEU 94 CO 0.02 0.34 -0.17 -0.89 0.23 0.00 0.00 176.35 175.88 1xs0 s THR 95 N -0.66 1.82 -0.04 5.49 2.01 0.49 -4.97 115.64 119.78 1xs0 s THR 95 Ca 0.11 -0.79 -0.21 0.00 0.31 0.00 0.00 61.69 61.11 1xs0 s THR 95 Cb -0.12 -1.67 -0.05 0.00 0.01 0.00 0.00 72.50 70.68 1xs0 s THR 95 CO 0.02 0.50 0.62 0.26 -0.69 0.00 0.00 174.62 175.33 1xs0 s TRP 96 N 1.33 3.62 -0.22 4.92 0.52 -1.26 -1.01 118.94 126.84 1xs0 s TRP 96 Ca 0.04 1.18 -0.08 0.00 0.02 0.00 0.00 56.10 57.26 1xs0 s TRP 96 Cb -0.13 -2.68 -0.04 0.00 -1.15 0.00 0.00 33.47 29.47 1xs0 s TRP 96 CO -0.11 0.22 0.07 -0.51 0.02 0.00 0.00 176.95 176.65 1xs0 s LEU 97 N 0.30 3.65 0.00 2.99 1.43 0.47 -3.79 118.68 123.73 1xs0 s LEU 97 Ca 0.33 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 1xs0 s LEU 97 Cb -0.18 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.09 1xs0 s LEU 97 CO 0.17 0.07 0.00 0.59 0.23 0.00 0.00 176.35 177.40 1xs0 n ASN 98 N 4.26 0.00 0.00 2.29 5.03 -1.26 -1.62 115.26 123.96 1xs0 n ASN 98 Ca -0.16 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.29 1xs0 n ASN 98 Cb 0.52 -0.03 0.00 0.00 -1.02 0.00 0.00 39.78 39.25 1xs0 n ASN 98 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1xs0 n VAL 99 N -2.00 0.00 -1.77 2.41 0.31 -1.25 -4.36 118.33 111.67 1xs0 n VAL 99 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1xs0 n VAL 99 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1xs0 n VAL 99 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1xs0 n ASN 100 N 0.83 0.00 0.00 4.52 0.23 -1.26 -4.60 115.26 114.98 1xs0 n ASN 100 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1xs0 n ASN 100 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1xs0 n ASN 100 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1xs0 n ASP 101 N 1.17 0.00 -0.04 0.53 5.68 -1.26 -4.72 116.55 117.91 1xs0 n ASP 101 Ca 0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.25 1xs0 n ASP 101 Cb 0.00 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 39.93 1xs0 n ASP 101 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xs0 n ALA 102 N 0.00 1.82 -1.83 2.12 0.00 -1.26 -5.03 120.51 116.33 1xs0 n ALA 102 Ca 0.00 -0.43 -0.42 0.00 0.00 0.00 0.00 53.44 52.59 1xs0 n ALA 102 Cb 0.00 0.17 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 1xs0 n ALA 102 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1xs0 s LEU 103 N -4.89 4.38 0.53 0.00 2.96 -1.26 -5.00 118.68 115.39 1xs0 s LEU 103 Ca -0.07 2.67 0.06 0.00 -0.22 0.00 0.00 54.13 56.57 1xs0 s LEU 103 Cb 0.02 -3.58 0.05 0.00 0.50 0.00 0.00 46.19 43.19 1xs0 s LEU 103 CO 0.26 -0.92 0.73 -0.94 -1.32 0.00 0.00 176.35 174.16 1xs0 s SER 104 N 1.91 5.24 0.24 3.68 1.04 -1.26 -4.89 113.70 119.66 1xs0 s SER 104 Ca 0.75 -0.45 -0.04 0.00 0.48 0.00 0.00 55.95 56.69 1xs0 s SER 104 Cb -0.44 -0.35 0.46 0.00 0.10 0.00 0.00 66.02 65.79 1xs0 s SER 104 CO 0.33 -1.15 1.73 0.40 0.98 0.00 0.00 173.24 175.53 1xs0 h ILE 105 N 0.23 0.66 -0.42 -1.02 2.04 -2.00 -0.80 117.51 116.20 1xs0 h ILE 105 Ca -0.37 -0.15 -0.11 0.00 1.00 0.00 0.00 64.86 65.22 1xs0 h ILE 105 Cb 1.28 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1xs0 h ILE 105 CO 0.45 0.08 -0.18 0.44 0.00 0.00 0.00 178.15 178.94 1xs0 h ASP 106 N 0.45 0.82 -0.57 1.72 3.32 -1.99 -1.75 116.42 118.42 1xs0 h ASP 106 Ca 0.41 -0.28 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 1xs0 h ASP 106 Cb 0.62 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 1xs0 h ASP 106 CO -0.40 0.99 0.18 1.23 -1.72 0.00 0.00 179.24 179.52 1xs0 h GLY 107 N 0.96 0.99 1.00 2.75 0.00 -1.74 -0.19 103.07 106.85 1xs0 h GLY 107 Ca 0.11 -0.56 -0.06 0.00 0.00 0.00 0.00 47.33 46.82 1xs0 h GLY 107 CO 0.05 0.52 0.13 0.50 0.00 0.00 0.00 176.54 177.75 1xs0 h LYS 108 N 0.89 0.90 -0.67 4.80 1.57 -0.70 -1.35 116.57 122.02 1xs0 h LYS 108 Ca 0.20 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1xs0 h LYS 108 Cb 0.27 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1xs0 h LYS 108 CO -0.01 0.85 0.34 1.15 -0.57 0.00 0.00 179.45 181.21 1xs0 h THR 109 N 0.80 1.22 -0.61 -0.16 2.02 -0.83 -1.14 112.91 114.21 1xs0 h THR 109 Ca 0.18 -0.59 -0.06 0.00 0.77 0.00 0.00 66.41 66.71 1xs0 h THR 109 Cb 0.35 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 1xs0 h THR 109 CO 0.00 0.25 0.15 0.58 0.37 0.00 0.00 175.52 176.87 1xs0 h VAL 110 N 0.92 1.25 -0.43 3.16 2.07 -0.87 0.89 116.25 123.25 1xs0 h VAL 110 Ca 0.23 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 1xs0 h VAL 110 Cb 0.09 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1xs0 h VAL 110 CO -0.03 0.34 0.16 -0.07 0.02 0.00 0.00 177.57 177.99 1xs0 h LEU 111 N 0.89 0.61 -0.89 2.57 3.38 -1.02 -0.13 115.31 120.72 1xs0 h LEU 111 Ca 0.19 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1xs0 h LEU 111 Cb 0.35 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1xs0 h LEU 111 CO 0.00 0.63 0.32 0.15 0.09 0.00 0.00 178.44 179.63 1xs0 h PHE 112 N 0.55 1.14 -0.39 1.13 3.57 -0.92 -1.30 116.94 120.73 1xs0 h PHE 112 Ca 0.14 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1xs0 h PHE 112 Cb 0.22 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 1xs0 h PHE 112 CO 0.01 0.86 0.18 0.00 -2.23 0.00 0.00 178.31 177.12 1xs0 h ALA 113 N 1.24 1.59 -0.04 2.41 0.00 -0.36 -0.32 119.26 123.77 1xs0 h ALA 113 Ca 0.26 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1xs0 h ALA 113 Cb 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1xs0 h ALA 113 CO -0.02 0.33 -0.09 0.00 0.00 0.00 0.00 179.25 179.47 1xs0 h ALA 114 N 1.66 0.07 0.00 0.00 0.00 -0.53 -1.14 119.26 119.31 1xs0 h ALA 114 Ca 0.14 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1xs0 h ALA 114 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1xs0 h ALA 114 CO -0.02 -0.07 0.00 1.37 0.00 0.00 0.00 179.25 180.53 1xs0 h LEU 115 N -0.39 0.00 0.07 0.00 8.10 -0.94 -3.04 115.31 119.11 1xs0 h LEU 115 Ca 0.00 0.00 -0.25 0.00 0.11 0.00 0.00 57.88 57.74 1xs0 h LEU 115 Cb 0.68 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.89 1xs0 h LEU 115 CO 0.02 0.00 -1.14 0.71 -4.11 0.00 0.00 178.44 173.92 1xs0 h THR 116 N 0.00 1.59 0.00 0.15 1.35 -1.06 -3.47 112.91 111.47 1xs0 h THR 116 Ca 0.00 -3.23 0.00 0.00 -0.55 0.00 0.00 66.41 62.63 1xs0 h THR 116 Cb 0.73 2.90 0.00 0.00 -1.73 0.00 0.00 68.15 70.05 1xs0 h THR 116 CO 0.00 0.93 0.00 0.61 -0.25 0.00 0.00 175.52 176.81 1xs0 n GLY 117 N 1.45 1.22 0.20 5.82 0.00 -0.76 -5.00 105.19 108.12 1xs0 n GLY 117 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1xs0 n GLY 117 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1xs0 h SER 118 N 0.00 0.15 -0.36 1.61 0.02 -1.51 -2.47 113.55 110.99 1xs0 h SER 118 Ca 0.00 -0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.84 1xs0 h SER 118 Cb 0.00 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1xs0 h SER 118 CO 0.00 0.50 -0.01 0.25 -1.14 0.00 0.00 176.83 176.44 1xs0 h LEU 119 N 0.13 0.62 -1.08 5.07 5.85 -1.65 -0.91 115.31 123.35 1xs0 h LEU 119 Ca 0.02 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 1xs0 h LEU 119 Cb 0.69 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1xs0 h LEU 119 CO 0.05 0.79 0.26 -0.08 -0.34 0.00 0.00 178.44 179.11 1xs0 h GLU 120 N 0.45 0.91 0.00 1.25 4.81 -1.76 -1.88 114.58 118.36 1xs0 h GLU 120 Ca 0.10 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1xs0 h GLU 120 Cb 0.47 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1xs0 h GLU 120 CO 0.02 0.74 0.00 -0.91 -0.73 0.00 0.00 179.01 178.13 1xs0 h ASN 121 N 0.90 0.00 -2.01 1.04 -0.26 -1.22 -3.34 115.58 110.68 1xs0 h ASN 121 Ca 0.21 0.00 -0.53 0.00 -0.56 0.00 0.00 56.30 55.42 1xs0 h ASN 121 Cb 0.17 0.00 -0.40 0.00 -1.06 0.00 0.00 38.32 37.03 1xs0 h ASN 121 CO -0.02 0.00 -1.11 1.41 -1.06 0.00 0.00 177.43 176.65 1xs0 n HIS 122 N -2.67 0.11 -0.33 1.19 8.25 -0.37 -5.01 115.22 116.39 1xs0 n HIS 122 Ca 0.04 -3.69 0.25 0.00 -0.26 0.00 0.00 57.72 54.06 1xs0 n HIS 122 Cb 0.43 -0.39 0.47 0.00 1.12 0.00 0.00 29.99 31.63 1xs0 n HIS 122 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1xs0 h PRO 123 N 3.60 0.03 -0.52 -0.41 0.13 -1.49 -0.20 132.00 133.14 1xs0 h PRO 123 Ca 0.09 -0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.95 1xs0 h PRO 123 Cb 0.90 -0.01 -0.16 0.00 0.13 0.00 0.00 31.00 31.86 1xs0 h PRO 123 CO 0.50 0.02 0.11 -0.25 -0.23 0.00 0.00 178.00 178.15 1xs0 n ASP 124 N -5.32 2.86 -1.11 1.44 8.00 -1.26 -4.59 116.55 116.57 1xs0 n ASP 124 Ca 0.32 -3.71 0.09 0.00 0.71 0.00 0.00 54.79 52.20 1xs0 n ASP 124 Cb 1.08 -0.69 0.26 0.00 -0.02 0.00 0.00 41.12 41.75 1xs0 n ASP 124 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xs0 n GLY 125 N -1.10 2.77 0.85 0.44 0.00 -0.09 -4.44 105.19 103.62 1xs0 n GLY 125 Ca 0.40 -0.67 0.05 0.00 0.00 0.00 0.00 46.02 45.80 1xs0 n GLY 125 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1xs0 n PHE 126 N 0.97 0.00 -3.17 1.61 3.01 -1.26 -5.02 117.46 113.61 1xs0 n PHE 126 Ca 0.20 -0.84 -0.40 0.00 1.01 0.00 0.00 57.45 57.42 1xs0 n PHE 126 Cb 0.63 -0.17 -0.07 0.00 -0.01 0.00 0.00 39.48 39.86 1xs0 n PHE 126 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1xs0 s ASN 127 N -2.40 6.55 -0.23 4.37 0.01 -1.26 -4.61 114.94 117.36 1xs0 s ASN 127 Ca 0.30 0.66 0.01 0.00 -0.71 0.00 0.00 52.86 53.12 1xs0 s ASN 127 Cb 0.31 -2.31 0.04 0.00 0.41 0.00 0.00 41.25 39.69 1xs0 s ASN 127 CO -0.08 -0.30 -0.12 -0.36 -1.51 0.00 0.00 177.10 174.72 1xs0 s PHE 128 N 2.24 3.04 0.00 2.20 0.40 0.45 -4.96 117.98 121.36 1xs0 s PHE 128 Ca 0.25 -1.86 0.00 0.00 -0.60 0.00 0.00 56.93 54.71 1xs0 s PHE 128 Cb -0.16 -1.97 0.00 0.00 0.51 0.00 0.00 43.02 41.41 1xs0 s PHE 128 CO 0.09 -0.81 0.00 -2.13 0.70 0.00 0.00 175.22 173.07