#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qwz s LEU 3 N 0.00 4.37 -0.41 -4.62 1.43 -1.26 -4.79 118.68 113.40 2qwz s LEU 3 Ca 0.00 2.76 0.05 0.00 -1.03 0.00 0.00 54.13 55.90 2qwz s LEU 3 Cb 0.00 -3.69 0.48 0.00 0.03 0.00 0.00 46.19 43.01 2qwz s LEU 3 CO 0.00 -0.65 1.56 1.33 0.23 0.00 0.00 176.35 178.82 2qwz n VAL 4 N 0.63 2.90 -3.62 -1.59 0.24 -0.56 -4.98 118.33 111.35 2qwz n VAL 4 Ca 0.01 -3.33 -0.10 0.00 -2.04 0.00 0.00 64.34 58.88 2qwz n VAL 4 Cb 0.42 -0.89 -0.06 0.00 -1.47 0.00 0.00 33.84 31.83 2qwz n VAL 4 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2qwz s PHE 5 N -3.56 -0.47 0.40 6.34 0.08 -1.24 -4.89 117.98 114.64 2qwz s PHE 5 Ca 0.54 1.05 0.08 0.00 0.12 0.00 0.00 56.93 58.71 2qwz s PHE 5 Cb 0.44 0.38 -0.03 0.00 -0.57 0.00 0.00 43.02 43.25 2qwz s PHE 5 CO 0.02 -0.28 0.30 0.16 -0.10 0.00 0.00 175.22 175.32 2qwz s ASP 6 N -0.17 4.93 0.30 1.36 1.47 -1.26 -4.94 116.67 118.36 2qwz s ASP 6 Ca 0.01 -0.77 0.06 0.00 1.18 0.00 0.00 52.55 53.02 2qwz s ASP 6 Cb -0.04 -0.63 0.75 0.00 -0.34 0.00 0.00 42.92 42.66 2qwz s ASP 6 CO -0.03 -0.55 1.76 0.50 0.68 0.00 0.00 175.17 177.53 2qwz h LYS 7 N 1.19 0.66 -0.01 2.11 3.64 -1.99 -0.85 116.57 121.32 2qwz h LYS 7 Ca -0.42 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 58.89 2qwz h LYS 7 Cb 1.26 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2qwz h LYS 7 CO 0.60 0.44 -0.10 -0.44 -2.27 0.00 0.00 179.45 177.69 2qwz h ASP 8 N 0.68 0.10 -0.23 4.20 3.32 -1.99 -2.64 116.42 119.87 2qwz h ASP 8 Ca 0.58 -0.73 0.04 0.00 0.02 0.00 0.00 57.03 56.94 2qwz h ASP 8 Cb 0.95 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.43 2qwz h ASP 8 CO -0.41 0.82 -0.04 1.23 -1.72 0.00 0.00 179.24 179.11 2qwz h GLY 9 N -0.61 0.17 1.27 2.75 0.00 -1.86 -1.86 103.07 102.94 2qwz h GLY 9 Ca -0.01 0.06 -0.06 0.00 0.00 0.00 0.00 47.33 47.33 2qwz h GLY 9 CO 0.02 -0.08 0.14 -2.00 0.00 0.00 0.00 176.54 174.62 2qwz h LEU 10 N 0.01 0.85 -1.15 3.11 5.85 -1.25 0.99 115.31 123.72 2qwz h LEU 10 Ca 0.11 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 2qwz h LEU 10 Cb 0.16 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 2qwz h LEU 10 CO -0.22 0.83 0.38 0.28 -0.34 0.00 0.00 178.44 179.37 2qwz h SER 11 N 0.87 0.86 -0.01 1.25 0.02 -1.32 0.76 113.55 115.98 2qwz h SER 11 Ca 0.19 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2qwz h SER 11 Cb 0.32 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 2qwz h SER 11 CO -0.00 0.70 -0.01 0.00 -1.14 0.00 0.00 176.83 176.38 2qwz h ALA 12 N 1.45 0.02 -0.53 3.77 0.00 -0.46 -2.77 119.26 120.74 2qwz h ALA 12 Ca 0.25 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2qwz h ALA 12 Cb 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2qwz h ALA 12 CO -0.04 -0.26 0.11 -0.92 0.00 0.00 0.00 179.25 178.14 2qwz h TYR 13 N -0.38 0.85 -0.63 0.00 3.20 -0.70 -1.71 116.97 117.59 2qwz h TYR 13 Ca 0.00 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 2qwz h TYR 13 Cb 0.43 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 2qwz h TYR 13 CO 0.07 0.72 0.35 -0.07 -1.64 0.00 0.00 178.16 177.60 2qwz h LEU 14 N 0.79 0.79 -1.41 2.82 3.38 -0.88 0.66 115.31 121.46 2qwz h LEU 14 Ca 0.17 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2qwz h LEU 14 Cb 0.32 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2qwz h LEU 14 CO 0.00 0.65 0.09 -0.33 0.09 0.00 0.00 178.44 178.94 2qwz h GLU 15 N 0.86 0.49 0.14 1.13 5.08 -1.16 0.97 114.58 122.09 2qwz h GLU 15 Ca 0.22 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2qwz h GLU 15 Cb 0.03 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2qwz h GLU 15 CO -0.04 0.45 -0.07 1.49 -1.00 0.00 0.00 179.01 179.84 2qwz h GLU 16 N 0.48 -0.19 0.17 2.33 4.81 -0.72 -2.92 114.58 118.54 2qwz h GLU 16 Ca 0.12 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 2qwz h GLU 16 Cb 0.17 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 2qwz h GLU 16 CO -0.01 0.23 -0.34 0.28 -0.73 0.00 0.00 179.01 178.44 2qwz h VAL 17 N -0.68 0.29 -2.42 0.32 2.07 0.68 -3.36 116.25 113.16 2qwz h VAL 17 Ca -0.02 0.00 -0.60 0.00 0.82 0.00 0.00 66.70 66.90 2qwz h VAL 17 Cb 0.50 0.29 -0.41 0.00 -1.52 0.00 0.00 31.29 30.15 2qwz h VAL 17 CO 0.03 0.00 -0.70 0.49 0.02 0.00 0.00 177.57 177.41 2qwz n PHE 18 N -5.43 2.52 0.24 1.57 3.01 0.30 -4.95 117.46 114.73 2qwz n PHE 18 Ca -0.07 -4.03 0.12 0.00 1.01 0.00 0.00 57.45 54.48 2qwz n PHE 18 Cb 0.34 -0.47 0.53 0.00 -0.01 0.00 0.00 39.48 39.87 2qwz n PHE 18 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 2qwz h PRO 19 N 4.60 0.00 -0.74 -1.08 0.11 -1.67 -3.11 132.00 130.11 2qwz h PRO 19 Ca 0.17 0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.41 2qwz h PRO 19 Cb 0.74 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 31.72 2qwz h PRO 19 CO 0.71 0.15 -0.33 1.96 -0.21 0.00 0.00 178.00 180.28 2qwz h GLN 20 N 0.00 -0.09 -2.65 1.05 4.20 -1.92 -2.94 115.11 112.75 2qwz h GLN 20 Ca -0.00 0.01 -0.67 0.00 0.06 0.00 0.00 58.65 58.04 2qwz h GLN 20 Cb 0.67 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.39 2qwz h GLN 20 CO 0.02 -0.06 2.57 0.44 -0.67 0.00 0.00 178.83 181.13 2qwz n ILE 21 N -5.46 4.70 -2.70 2.54 -5.35 -1.18 -4.98 119.36 106.94 2qwz n ILE 21 Ca 0.07 -3.55 -0.42 0.00 -0.27 0.00 0.00 62.75 58.59 2qwz n ILE 21 Cb 0.38 -2.20 -0.03 0.00 -1.74 0.00 0.00 39.64 36.05 2qwz n ILE 21 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2qwz s GLN 22 N -0.08 4.58 -0.75 6.28 1.11 -1.11 -3.76 119.66 125.93 2qwz s GLN 22 Ca 0.60 1.44 0.00 0.00 0.01 0.00 0.00 55.36 57.41 2qwz s GLN 22 Cb 0.21 -3.44 0.00 0.00 -1.01 0.00 0.00 33.01 28.77 2qwz s GLN 22 CO -0.09 -0.01 0.00 0.41 0.01 0.00 0.00 175.29 175.61 2qwz n GLY 23 N 2.79 0.88 0.13 3.09 0.00 -1.26 -4.89 105.19 105.93 2qwz n GLY 23 Ca 0.05 -0.35 -0.20 0.00 0.00 0.00 0.00 46.02 45.52 2qwz n GLY 23 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2qwz n GLU 24 N -2.09 0.70 -5.23 1.61 2.13 -1.25 -4.75 120.64 111.76 2qwz n GLU 24 Ca -0.07 0.21 -0.31 0.00 0.66 0.00 0.00 57.16 57.65 2qwz n GLU 24 Cb 0.32 -1.61 -0.17 0.00 0.27 0.00 0.00 31.44 30.25 2qwz n GLU 24 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 2qwz s PHE 25 N -2.53 2.43 0.02 4.31 0.08 -1.26 -1.06 117.98 119.96 2qwz s PHE 25 Ca -0.29 -0.79 0.01 0.00 0.12 0.00 0.00 56.93 55.97 2qwz s PHE 25 Cb 0.08 -1.60 -0.01 0.00 -0.57 0.00 0.00 43.02 40.92 2qwz s PHE 25 CO 0.67 -0.27 -0.04 -1.54 -0.10 0.00 0.00 175.22 173.95 2qwz s SER 26 N -0.02 0.41 -0.24 1.36 1.04 -0.05 -4.97 113.70 111.22 2qwz s SER 26 Ca -0.07 -0.34 -0.27 0.00 0.48 0.00 0.00 55.95 55.75 2qwz s SER 26 Cb -0.15 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.01 2qwz s SER 26 CO 0.05 -0.15 0.93 -0.63 0.98 0.00 0.00 173.24 174.41 2qwz s ILE 27 N -0.90 4.76 0.00 -1.02 1.01 -1.26 0.15 121.20 123.93 2qwz s ILE 27 Ca -0.08 1.76 -0.16 0.00 0.00 0.00 0.00 60.65 62.17 2qwz s ILE 27 Cb -0.07 -4.21 -0.34 0.00 0.01 0.00 0.00 42.46 37.85 2qwz s ILE 27 CO -0.00 -0.14 0.92 0.44 0.00 0.00 0.00 174.94 176.16 2qwz h ASP 28 N 7.61 0.76 -4.43 3.58 5.19 -0.35 -3.48 116.42 125.31 2qwz h ASP 28 Ca -0.21 -0.93 -0.12 0.00 -0.62 0.00 0.00 57.03 55.15 2qwz h ASP 28 Cb 1.08 -0.25 -0.22 0.00 0.18 0.00 0.00 39.33 40.12 2qwz h ASP 28 CO 0.92 1.69 -0.25 0.00 -3.12 0.00 0.00 179.24 178.49 2qwz s ALA 29 N -2.57 -0.92 0.01 3.45 0.00 -1.12 -4.97 121.76 115.64 2qwz s ALA 29 Ca -0.11 0.76 0.02 0.00 0.00 0.00 0.00 51.96 52.63 2qwz s ALA 29 Cb 0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 2qwz s ALA 29 CO 0.91 -0.23 -0.07 -1.17 0.00 0.00 0.00 175.76 175.20 2qwz s LEU 30 N -0.55 2.09 0.23 0.00 2.96 -1.26 -0.84 118.68 121.31 2qwz s LEU 30 Ca -0.07 -0.25 -0.20 0.00 -0.22 0.00 0.00 54.13 53.39 2qwz s LEU 30 Cb -0.04 -0.31 0.03 0.00 0.50 0.00 0.00 46.19 46.37 2qwz s LEU 30 CO 0.03 0.00 0.63 0.00 -1.32 0.00 0.00 176.35 175.69 2qwz s ALA 31 N -0.52 -1.15 0.27 5.97 0.00 0.23 -4.95 121.76 121.62 2qwz s ALA 31 Ca -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 51.96 51.74 2qwz s ALA 31 Cb -0.05 0.88 0.55 0.00 0.00 0.00 0.00 23.12 24.50 2qwz s ALA 31 CO 0.00 -0.92 1.63 0.87 0.00 0.00 0.00 175.76 177.34 2qwz h LYS 32 N 2.07 0.11 0.00 0.00 1.79 -2.00 -2.75 116.57 115.79 2qwz h LYS 32 Ca -0.25 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 2qwz h LYS 32 Cb 1.26 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 2qwz h LYS 32 CO 0.30 0.07 -0.19 0.41 -1.08 0.00 0.00 179.45 178.97 2qwz n GLY 33 N -1.43 3.17 2.95 3.86 0.00 -1.26 -4.80 105.19 107.68 2qwz n GLY 33 Ca 0.17 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 2qwz n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2qwz s GLU 34 N -1.76 0.13 0.02 1.61 4.04 -1.04 -1.97 118.70 119.74 2qwz s GLU 34 Ca 0.19 -0.05 0.01 0.00 0.04 0.00 0.00 54.97 55.17 2qwz s GLU 34 Cb 0.17 0.05 -0.01 0.00 0.02 0.00 0.00 34.13 34.36 2qwz s GLU 34 CO 0.02 -0.02 -0.05 -1.50 -1.84 0.00 0.00 175.26 171.87 2qwz s ILE 35 N -0.26 0.31 0.37 1.83 2.07 -0.70 -0.60 121.20 124.22 2qwz s ILE 35 Ca -0.03 -0.66 0.09 0.00 -1.41 0.00 0.00 60.65 58.63 2qwz s ILE 35 Cb -0.02 -0.36 -0.07 0.00 0.13 0.00 0.00 42.46 42.14 2qwz s ILE 35 CO 0.00 -0.24 -0.04 -0.89 -1.91 0.00 0.00 174.94 171.86 2qwz s THR 36 N -0.89 2.21 -0.28 4.00 2.01 -0.02 -0.82 115.64 121.85 2qwz s THR 36 Ca -0.07 -2.10 -0.21 0.00 0.31 0.00 0.00 61.69 59.62 2qwz s THR 36 Cb -0.07 -2.79 0.09 0.00 0.01 0.00 0.00 72.50 69.75 2qwz s THR 36 CO -0.00 -0.13 0.80 -0.60 -0.69 0.00 0.00 174.62 174.00 2qwz s ARG 38 N -3.66 0.68 -0.31 4.92 3.52 0.39 0.50 118.95 124.99 2qwz s ARG 38 Ca 0.34 0.95 -0.10 0.00 -0.13 0.00 0.00 55.73 56.79 2qwz s ARG 38 Cb 0.05 0.26 -0.01 0.00 -1.56 0.00 0.00 34.95 33.69 2qwz s ARG 38 CO 0.18 -0.10 0.16 -1.17 -0.81 0.00 0.00 175.30 173.55 2qwz s LEU 39 N 0.84 4.14 -0.68 -0.88 0.20 0.58 -0.88 118.68 122.01 2qwz s LEU 39 Ca -0.03 -0.52 -0.27 0.00 0.69 0.00 0.00 54.13 54.00 2qwz s LEU 39 Cb -0.05 -2.01 0.03 0.00 -0.43 0.00 0.00 46.19 43.73 2qwz s LEU 39 CO -0.09 -0.20 1.21 0.20 -0.29 0.00 0.00 176.35 177.19 2qwz s ASN 40 N 1.62 6.26 0.24 3.68 0.02 -0.23 -2.22 114.94 124.31 2qwz s ASN 40 Ca 0.05 -0.32 0.22 0.00 -1.02 0.00 0.00 52.86 51.79 2qwz s ASN 40 Cb -0.17 -2.54 0.95 0.00 0.02 0.00 0.00 41.25 39.51 2qwz s ASN 40 CO 0.07 -1.67 1.67 0.52 0.02 0.00 0.00 177.10 177.70 2qwz n VAL 41 N 6.42 0.90 -0.21 1.60 0.31 -1.26 -1.97 118.33 124.12 2qwz n VAL 41 Ca 0.04 0.31 -0.03 0.00 -0.01 0.00 0.00 64.34 64.65 2qwz n VAL 41 Cb 0.49 -1.23 0.17 0.00 -0.91 0.00 0.00 33.84 32.35 2qwz n VAL 41 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2qwz h GLN 42 N 0.00 1.00 -0.21 5.55 7.50 -1.91 -2.95 115.11 124.08 2qwz h GLN 42 Ca 0.00 -0.15 -0.05 0.00 0.50 0.00 0.00 58.65 58.95 2qwz h GLN 42 Cb 0.30 -0.18 -0.01 0.00 0.05 0.00 0.00 27.48 27.64 2qwz h GLN 42 CO 0.00 0.79 -0.09 1.49 -1.50 0.00 0.00 178.83 179.52 2qwz h GLU 43 N 0.98 0.33 -0.52 1.46 4.22 -1.69 -3.00 114.58 116.37 2qwz h GLU 43 Ca 0.23 -0.08 0.06 0.00 0.08 0.00 0.00 59.36 59.65 2qwz h GLU 43 Cb 0.15 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 2qwz h GLU 43 CO -0.02 0.44 0.35 0.00 -2.18 0.00 0.00 179.01 177.59 2qwz h ARG 44 N 0.32 0.48 -6.11 1.92 2.47 -1.61 -3.47 114.38 108.38 2qwz h ARG 44 Ca 0.07 -0.03 -0.41 0.00 -1.26 0.00 0.00 59.98 58.35 2qwz h ARG 44 Cb 0.37 -0.11 0.09 0.00 -1.65 0.00 0.00 29.97 28.67 2qwz h ARG 44 CO 0.02 0.32 -0.91 0.72 0.56 0.00 0.00 179.97 180.68 2qwz n HIS 45 N -4.47 -1.97 -2.83 3.04 8.25 -1.13 -4.99 115.22 111.11 2qwz n HIS 45 Ca 0.07 0.59 -0.32 0.00 -0.26 0.00 0.00 57.72 57.81 2qwz n HIS 45 Cb 0.23 -3.71 -0.05 0.00 1.12 0.00 0.00 29.99 27.58 2qwz n HIS 45 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2qwz s LEU 46 N -6.38 3.87 0.79 2.41 1.02 -1.26 -5.06 118.68 114.06 2qwz s LEU 46 Ca 0.36 1.36 -0.14 0.00 0.02 0.00 0.00 54.13 55.73 2qwz s LEU 46 Cb -0.11 -4.23 0.04 0.00 0.02 0.00 0.00 46.19 41.91 2qwz s LEU 46 CO 0.84 -0.38 0.94 -2.11 0.02 0.00 0.00 176.35 175.66 2qwz n ARG 47 N -0.99 0.24 -1.61 1.70 -4.01 -1.26 -4.90 116.66 105.83 2qwz n ARG 47 Ca 0.04 0.15 -0.38 0.00 -1.04 0.00 0.00 57.85 56.62 2qwz n ARG 47 Cb 0.54 -2.21 0.05 0.00 -3.04 0.00 0.00 32.46 27.80 2qwz n ARG 47 CO 0.00 0.00 0.00 -2.30 -3.04 0.00 0.00 177.63 172.29 2qwz n PRO 48 N -2.29 0.85 -1.69 2.89 -0.02 -1.26 -2.57 135.00 130.91 2qwz n PRO 48 Ca 0.12 0.33 -0.14 0.00 -2.02 0.00 0.00 63.50 61.79 2qwz n PRO 48 Cb 0.50 -2.14 -0.04 0.00 -0.02 0.00 0.00 33.50 31.80 2qwz n PRO 48 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qwz n GLY 49 N 1.32 0.91 3.76 -1.23 0.00 -1.26 -5.02 105.19 103.68 2qwz n GLY 49 Ca 0.14 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 2qwz n GLY 49 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qwz s GLY 50 N -2.69 1.60 0.09 -0.02 0.00 -1.06 -4.95 107.32 100.29 2qwz s GLY 50 Ca 0.00 -1.38 0.06 0.00 0.00 0.00 0.00 44.72 43.40 2qwz s GLY 50 CO 0.00 -1.41 -0.15 -0.51 0.00 0.00 0.00 173.10 171.03 2qwz s THR 51 N -1.97 1.24 0.31 0.90 -4.23 -1.26 -3.83 115.64 106.80 2qwz s THR 51 Ca 0.31 -1.46 -0.28 0.00 -1.18 0.00 0.00 61.69 59.07 2qwz s THR 51 Cb -0.09 -1.27 -0.13 0.00 1.34 0.00 0.00 72.50 72.35 2qwz s THR 51 CO 0.23 -0.27 1.22 0.52 -0.54 0.00 0.00 174.62 175.78 2qwz n VAL 52 N 1.02 1.88 -2.12 2.29 0.31 -1.26 -4.96 118.33 115.48 2qwz n VAL 52 Ca -0.19 -0.47 -0.29 0.00 -0.01 0.00 0.00 64.34 63.38 2qwz n VAL 52 Cb 0.55 -1.39 0.03 0.00 -0.91 0.00 0.00 33.84 32.12 2qwz n VAL 52 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2qwz s SER 53 N -0.31 5.64 0.15 4.52 1.04 -1.26 -4.92 113.70 118.56 2qwz s SER 53 Ca 0.58 0.99 -0.25 0.00 0.48 0.00 0.00 55.95 57.75 2qwz s SER 53 Cb -0.62 -1.92 0.01 0.00 0.10 0.00 0.00 66.02 63.59 2qwz s SER 53 CO 0.60 -1.14 1.59 1.23 0.98 0.00 0.00 173.24 176.51 2qwz h GLY 54 N -0.38 -0.43 0.28 7.32 0.00 -2.06 -2.59 103.07 105.21 2qwz h GLY 54 Ca -0.45 0.45 0.14 0.00 0.00 0.00 0.00 47.33 47.47 2qwz h GLY 54 CO 0.62 -0.21 0.50 -2.55 0.00 0.00 0.00 176.54 174.90 2qwz h PRO 55 N -0.34 0.70 -1.44 4.80 0.11 -2.03 0.85 132.00 134.64 2qwz h PRO 55 Ca 0.13 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2qwz h PRO 55 Cb 0.56 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.52 2qwz h PRO 55 CO -0.47 0.46 0.00 0.43 -0.21 0.00 0.00 178.00 178.21 2qwz n SER 56 N -4.80 0.98 0.00 -2.05 7.64 -0.98 -0.83 113.62 113.58 2qwz n SER 56 Ca 0.18 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 59.33 2qwz n SER 56 Cb 0.43 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 2qwz n SER 56 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2qwz n PHE 58 N 0.74 0.00 -0.18 1.43 -0.00 0.29 -0.97 117.46 118.78 2qwz n PHE 58 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.45 57.41 2qwz n PHE 58 Cb 0.17 0.00 0.06 0.00 -0.00 0.00 0.00 39.48 39.71 2qwz n PHE 58 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2qwz h ALA 59 N 0.00 0.69 -0.21 3.13 0.00 -1.25 0.10 119.26 121.72 2qwz h ALA 59 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2qwz h ALA 59 Cb 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2qwz h ALA 59 CO 0.00 -0.09 0.09 1.25 0.00 0.00 0.00 179.25 180.50 2qwz h LEU 60 N 0.51 0.12 -0.11 0.00 5.85 -1.32 0.16 115.31 120.52 2qwz h LEU 60 Ca 0.24 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.98 2qwz h LEU 60 Cb 0.16 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2qwz h LEU 60 CO -0.18 0.10 0.06 0.00 -0.34 0.00 0.00 178.44 178.08 2qwz h ALA 61 N 1.12 0.13 -0.27 1.25 0.00 -1.69 -1.74 119.26 118.05 2qwz h ALA 61 Ca 0.09 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2qwz h ALA 61 Cb 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2qwz h ALA 61 CO -0.07 -0.39 0.06 0.22 0.00 0.00 0.00 179.25 179.07 2qwz h ASP 62 N 0.13 0.42 -0.19 0.00 3.58 -0.68 -2.74 116.42 116.93 2qwz h ASP 62 Ca 0.04 -0.23 -0.10 0.00 0.42 0.00 0.00 57.03 57.16 2qwz h ASP 62 Cb -0.00 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 2qwz h ASP 62 CO -0.02 0.54 -0.19 1.62 -2.88 0.00 0.00 179.24 178.31 2qwz h VAL 63 N 0.27 1.26 0.29 2.25 3.04 -0.61 -2.09 116.25 120.66 2qwz h VAL 63 Ca 0.09 -1.23 -0.01 0.00 -1.01 0.00 0.00 66.70 64.53 2qwz h VAL 63 Cb 0.29 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 30.79 2qwz h VAL 63 CO 0.00 0.40 -0.14 0.28 -1.01 0.00 0.00 177.57 177.11 2qwz h SER 64 N 0.56 -0.33 -0.25 3.17 0.02 -1.26 0.14 113.55 115.60 2qwz h SER 64 Ca 0.09 -0.07 -0.15 0.00 -0.84 0.00 0.00 61.79 60.82 2qwz h SER 64 Cb 0.64 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 2qwz h SER 64 CO 0.05 -0.14 -0.39 0.58 -1.14 0.00 0.00 176.83 175.79 2qwz h VAL 65 N -0.50 1.28 -0.27 2.27 2.07 -1.52 -2.34 116.25 117.24 2qwz h VAL 65 Ca -0.04 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 65.92 2qwz h VAL 65 Cb 0.37 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2qwz h VAL 65 CO 0.06 0.51 0.17 0.22 0.02 0.00 0.00 177.57 178.56 2qwz h TYR 66 N 0.65 0.34 -0.93 1.57 3.20 -1.34 -0.24 116.97 120.23 2qwz h TYR 66 Ca 0.06 0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.10 2qwz h TYR 66 Cb 0.95 -0.11 -0.10 0.00 1.54 0.00 0.00 36.73 39.00 2qwz h TYR 66 CO 0.05 0.23 0.51 0.00 -1.64 0.00 0.00 178.16 177.31 2qwz h ALA 67 N 1.09 1.48 -0.07 1.82 0.00 -0.60 0.61 119.26 123.59 2qwz h ALA 67 Ca 0.10 0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 2qwz h ALA 67 Cb -0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2qwz h ALA 67 CO -0.02 -0.09 -0.78 1.25 0.00 0.00 0.00 179.25 179.61 2qwz h LEU 68 N 0.67 0.52 0.04 0.00 5.85 -0.85 0.26 115.31 121.79 2qwz h LEU 68 Ca 0.53 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 2qwz h LEU 68 Cb 0.81 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.68 2qwz h LEU 68 CO -0.39 1.11 -0.02 0.58 -0.34 0.00 0.00 178.44 179.38 2qwz h VAL 69 N 0.28 1.17 -0.75 1.05 2.07 -0.49 -2.89 116.25 116.69 2qwz h VAL 69 Ca -0.04 -0.66 0.09 0.00 0.82 0.00 0.00 66.70 66.91 2qwz h VAL 69 Cb 1.37 1.61 -0.07 0.00 -1.52 0.00 0.00 31.29 32.68 2qwz h VAL 69 CO 0.13 0.17 0.40 -0.07 0.02 0.00 0.00 177.57 178.22 2qwz h LEU 70 N -0.34 0.56 -0.90 2.57 3.38 -0.86 -1.72 115.31 117.99 2qwz h LEU 70 Ca -0.01 0.05 0.25 0.00 0.09 0.00 0.00 57.88 58.27 2qwz h LEU 70 Cb 0.31 -0.05 -0.15 0.00 0.09 0.00 0.00 40.66 40.86 2qwz h LEU 70 CO 0.01 0.32 0.23 0.00 0.09 0.00 0.00 178.44 179.09 2qwz h ALA 71 N 1.43 1.33 0.10 1.53 0.00 -0.27 0.97 119.26 124.35 2qwz h ALA 71 Ca 0.36 0.24 -0.34 0.00 0.00 0.00 0.00 54.91 55.17 2qwz h ALA 71 Cb 0.35 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2qwz h ALA 71 CO -0.25 -0.52 -1.87 0.45 0.00 0.00 0.00 179.25 177.06 2qwz h HIS 72 N 0.17 0.38 0.01 0.00 3.86 -1.42 -1.50 115.15 116.65 2qwz h HIS 72 Ca 0.58 -0.28 -0.27 0.00 -1.16 0.00 0.00 60.37 59.25 2qwz h HIS 72 Cb 1.21 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 29.63 2qwz h HIS 72 CO -0.28 1.56 -1.47 -0.07 0.86 0.00 0.00 177.93 178.53 2qwz h LEU 73 N 0.06 0.02 0.00 2.43 3.38 -0.82 -3.40 115.31 116.98 2qwz h LEU 73 Ca -0.37 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2qwz h LEU 73 Cb 2.03 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.78 2qwz h LEU 73 CO 0.10 1.03 0.00 0.61 0.09 0.00 0.00 178.44 180.26 2qwz n GLY 74 N 1.49 -1.76 0.24 0.83 0.00 0.29 -4.37 105.19 101.91 2qwz n GLY 74 Ca -0.11 -2.08 -0.06 0.00 0.00 0.00 0.00 46.02 43.77 2qwz n GLY 74 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2qwz h ARG 75 N 0.48 0.57 0.43 1.61 -0.00 -1.95 -3.20 114.38 112.32 2qwz h ARG 75 Ca 0.00 -0.26 -0.01 0.00 -0.00 0.00 0.00 59.98 59.71 2qwz h ARG 75 Cb 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 29.97 29.95 2qwz h ARG 75 CO 0.00 0.83 -0.29 1.05 -0.00 0.00 0.00 179.97 181.56 2qwz h GLU 76 N 0.48 -0.67 -6.01 0.08 -0.00 -1.98 -3.44 114.58 103.03 2qwz h GLU 76 Ca 0.05 0.05 -0.79 0.00 -0.00 0.00 0.00 59.36 58.68 2qwz h GLU 76 Cb 0.81 0.15 -0.02 0.00 -0.00 0.00 0.00 28.75 29.70 2qwz h GLU 76 CO 0.07 -0.45 1.11 0.00 -0.00 0.00 0.00 179.01 179.74 2qwz n ALA 77 N -2.51 -0.16 -2.90 1.06 0.00 -1.21 -4.87 120.51 109.92 2qwz n ALA 77 Ca -0.11 0.27 -0.40 0.00 0.00 0.00 0.00 53.44 53.21 2qwz n ALA 77 Cb 0.32 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.66 2qwz n ALA 77 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2qwz n LEU 78 N 6.58 6.39 -4.76 0.00 -0.00 -1.26 -4.94 117.00 119.01 2qwz n LEU 78 Ca 0.43 -5.34 -0.39 0.00 -0.00 0.00 0.00 56.01 50.71 2qwz n LEU 78 Cb 0.01 -1.12 -0.06 0.00 -0.00 0.00 0.00 43.42 42.25 2qwz n LEU 78 CO 0.86 1.92 0.67 0.00 -0.00 0.00 0.00 177.39 180.84 2qwz s ALA 79 N -3.40 3.31 -0.07 1.47 0.00 -1.26 -4.33 121.76 117.47 2qwz s ALA 79 Ca 0.36 0.64 0.02 0.00 0.00 0.00 0.00 51.96 52.98 2qwz s ALA 79 Cb 0.13 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 20.04 2qwz s ALA 79 CO -0.01 0.14 -0.11 0.08 0.00 0.00 0.00 175.76 175.85 2qwz s VAL 80 N -1.29 1.11 0.15 0.00 1.01 -0.53 -4.93 120.40 115.92 2qwz s VAL 80 Ca 0.44 -0.44 -0.31 0.00 0.00 0.00 0.00 61.98 61.66 2qwz s VAL 80 Cb -0.25 -1.03 -0.11 0.00 0.00 0.00 0.00 36.38 34.99 2qwz s VAL 80 CO 0.31 0.35 1.77 -0.89 0.00 0.00 0.00 175.10 176.65 2qwz s THR 81 N 0.82 2.37 -0.05 3.92 2.01 -1.26 -0.89 115.64 122.55 2qwz s THR 81 Ca -0.12 0.07 0.04 0.00 0.31 0.00 0.00 61.69 62.00 2qwz s THR 81 Cb -0.15 -3.05 -0.06 0.00 0.01 0.00 0.00 72.50 69.25 2qwz s THR 81 CO 0.02 0.00 0.01 0.35 -0.69 0.00 0.00 174.62 174.31 2qwz n THR 82 N 4.43 0.36 -3.88 -0.82 -2.24 -0.12 -4.87 114.28 107.13 2qwz n THR 82 Ca 0.17 -0.21 -0.11 0.00 -2.27 0.00 0.00 64.05 61.63 2qwz n THR 82 Cb 0.37 -0.85 -0.10 0.00 -2.10 0.00 0.00 70.33 67.66 2qwz n THR 82 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2qwz s ASN 83 N -3.75 0.05 -0.10 3.42 3.84 -1.01 -5.01 114.94 112.39 2qwz s ASN 83 Ca -0.03 -0.28 -0.06 0.00 0.21 0.00 0.00 52.86 52.70 2qwz s ASN 83 Cb 0.02 0.22 0.04 0.00 -0.55 0.00 0.00 41.25 40.98 2qwz s ASN 83 CO 0.21 -0.41 0.24 0.00 -2.79 0.00 0.00 177.10 174.34 2qwz s ALA 84 N -1.72 -0.55 0.01 1.71 0.00 -1.26 -1.09 121.76 118.85 2qwz s ALA 84 Ca -0.12 0.95 0.04 0.00 0.00 0.00 0.00 51.96 52.82 2qwz s ALA 84 Cb -0.06 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 2qwz s ALA 84 CO -0.00 -0.18 -0.12 -1.54 0.00 0.00 0.00 175.76 173.92 2qwz s SER 85 N 1.10 1.37 -0.04 0.00 1.04 -0.49 -5.00 113.70 111.68 2qwz s SER 85 Ca -0.08 -0.30 -0.02 0.00 0.48 0.00 0.00 55.95 56.03 2qwz s SER 85 Cb -0.09 -0.12 0.03 0.00 0.10 0.00 0.00 66.02 65.94 2qwz s SER 85 CO -0.07 0.08 0.09 -0.76 0.98 0.00 0.00 173.24 173.55 2qwz s LEU 86 N -0.62 0.75 -0.17 2.42 1.43 -1.26 -1.34 118.68 119.89 2qwz s LEU 86 Ca 0.02 0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 53.25 2qwz s LEU 86 Cb -0.06 0.11 -0.03 0.00 0.03 0.00 0.00 46.19 46.25 2qwz s LEU 86 CO 0.00 -0.16 -0.03 -1.81 0.23 0.00 0.00 176.35 174.58 2qwz s ASP 87 N 1.33 4.80 0.02 2.29 1.01 0.52 -5.00 116.67 121.63 2qwz s ASP 87 Ca -0.07 -0.15 0.00 0.00 0.71 0.00 0.00 52.55 53.05 2qwz s ASP 87 Cb -0.12 -1.79 -0.04 0.00 1.01 0.00 0.00 42.92 41.98 2qwz s ASP 87 CO -0.04 0.14 0.09 -0.36 0.21 0.00 0.00 175.17 175.21 2qwz s PHE 88 N 0.52 3.29 0.47 4.23 0.08 -1.26 -2.13 117.98 123.17 2qwz s PHE 88 Ca -0.03 0.19 -0.25 0.00 0.12 0.00 0.00 56.93 56.97 2qwz s PHE 88 Cb -0.14 -1.72 -0.08 0.00 -0.57 0.00 0.00 43.02 40.51 2qwz s PHE 88 CO 0.03 0.55 1.40 1.03 -0.10 0.00 0.00 175.22 178.12 2qwz s ARG 90 N -1.92 3.59 0.15 0.44 0.52 -0.84 -5.02 118.95 115.87 2qwz s ARG 90 Ca 0.25 2.34 -0.31 0.00 -0.52 0.00 0.00 55.73 57.49 2qwz s ARG 90 Cb -0.12 -2.57 -0.11 0.00 0.52 0.00 0.00 34.95 32.67 2qwz s ARG 90 CO 0.17 -0.86 1.75 -1.59 0.02 0.00 0.00 175.30 174.78 2qwz s LYS 91 N -2.54 4.15 0.60 3.54 0.00 -1.26 -4.61 119.74 119.63 2qwz s LYS 91 Ca 0.63 2.55 -0.18 0.00 0.00 0.00 0.00 55.97 58.97 2qwz s LYS 91 Cb -0.42 -3.38 -0.03 0.00 0.00 0.00 0.00 37.83 34.00 2qwz s LYS 91 CO 0.53 -0.78 1.17 -2.14 0.00 0.00 0.00 175.35 174.13 2qwz s PRO 92 N 2.06 2.97 -0.05 1.78 0.02 -1.26 -4.97 135.00 135.54 2qwz s PRO 92 Ca 0.77 1.68 -0.30 0.00 0.02 0.00 0.00 61.00 63.18 2qwz s PRO 92 Cb -0.46 -1.94 -0.03 0.00 0.02 0.00 0.00 34.50 32.08 2qwz s PRO 92 CO 0.34 -1.18 1.12 -2.00 -0.33 0.00 0.00 177.00 174.96 2qwz s GLU 93 N -3.51 4.40 0.25 5.54 2.56 -1.26 -4.87 118.70 121.81 2qwz s GLU 93 Ca 0.74 1.58 -0.31 0.00 0.00 0.00 0.00 54.97 56.98 2qwz s GLU 93 Cb -0.27 -3.52 -0.11 0.00 2.00 0.00 0.00 34.13 32.23 2qwz s GLU 93 CO 0.34 -0.35 1.61 0.45 -0.56 0.00 0.00 175.26 176.75 2qwz s SER 94 N 1.27 6.42 0.00 -1.70 0.15 -1.26 -2.42 113.70 116.17 2qwz s SER 94 Ca 0.54 2.86 0.00 0.00 0.70 0.00 0.00 55.95 60.05 2qwz s SER 94 Cb -0.23 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.46 2qwz s SER 94 CO 0.22 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.37 2qwz n GLY 95 N 2.88 0.98 3.88 9.45 0.00 -1.25 -4.99 105.19 116.14 2qwz n GLY 95 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 2qwz n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qwz s ARG 96 N -0.24 3.41 0.69 1.61 1.81 -1.01 -4.93 118.95 120.28 2qwz s ARG 96 Ca 0.00 -0.21 -0.17 0.00 -1.72 0.00 0.00 55.73 53.63 2qwz s ARG 96 Cb 0.00 -3.14 0.00 0.00 -0.45 0.00 0.00 34.95 31.37 2qwz s ARG 96 CO 0.00 0.74 1.13 -0.25 -0.68 0.00 0.00 175.30 176.24 2qwz n ASP 97 N 1.63 1.24 -4.74 0.23 9.92 -1.26 -4.69 116.55 118.88 2qwz n ASP 97 Ca -0.17 0.74 -0.35 0.00 -0.53 0.00 0.00 54.79 54.48 2qwz n ASP 97 Cb 0.54 -1.48 -0.08 0.00 -0.64 0.00 0.00 41.12 39.46 2qwz n ASP 97 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2qwz s LEU 98 N -3.82 4.01 -0.07 0.64 2.96 -0.94 -1.25 118.68 120.21 2qwz s LEU 98 Ca 0.78 0.25 0.03 0.00 -0.22 0.00 0.00 54.13 54.97 2qwz s LEU 98 Cb -0.36 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.32 2qwz s LEU 98 CO 0.46 0.30 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.85 2qwz s LEU 99 N -0.37 2.55 -0.30 -0.68 1.43 0.87 -0.30 118.68 121.87 2qwz s LEU 99 Ca 0.10 -0.31 -0.03 0.00 -1.03 0.00 0.00 54.13 52.85 2qwz s LEU 99 Cb -0.12 -1.52 0.04 0.00 0.03 0.00 0.00 46.19 44.62 2qwz s LEU 99 CO 0.02 0.27 0.03 -0.83 0.23 0.00 0.00 176.35 176.06 2qwz s GLY 100 N -0.30 1.77 -0.47 -3.19 0.00 -1.26 -0.77 107.32 103.09 2qwz s GLY 100 Ca 0.02 -1.70 -0.17 0.00 0.00 0.00 0.00 44.72 42.87 2qwz s GLY 100 CO 0.03 0.69 0.48 1.20 0.00 0.00 0.00 173.10 175.50 2qwz s GLN 101 N 1.32 3.05 -0.07 2.90 -0.21 0.98 -4.02 119.66 123.60 2qwz s GLN 101 Ca -0.03 -1.07 0.04 0.00 0.02 0.00 0.00 55.36 54.32 2qwz s GLN 101 Cb -0.19 -4.09 -0.02 0.00 1.00 0.00 0.00 33.01 29.72 2qwz s GLN 101 CO -0.00 -1.06 -0.20 0.00 -2.12 0.00 0.00 175.29 171.91 2qwz s ALA 102 N 2.08 2.38 0.17 6.09 0.00 -0.00 -1.18 121.76 131.30 2qwz s ALA 102 Ca 0.09 -1.00 0.11 0.00 0.00 0.00 0.00 51.96 51.16 2qwz s ALA 102 Cb -0.21 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 2qwz s ALA 102 CO 0.10 0.41 -0.24 -0.98 0.00 0.00 0.00 175.76 175.06 2qwz s ARG 103 N -0.19 1.45 -0.23 0.00 1.70 0.08 -1.72 118.95 120.05 2qwz s ARG 103 Ca -0.02 -1.46 -0.10 0.00 -0.47 0.00 0.00 55.73 53.68 2qwz s ARG 103 Cb -0.13 -1.77 -0.05 0.00 -0.57 0.00 0.00 34.95 32.43 2qwz s ARG 103 CO 0.03 0.39 0.14 -1.17 -1.08 0.00 0.00 175.30 173.62 2qwz s LEU 104 N -2.53 4.10 -0.15 -1.89 2.96 -0.83 -1.40 118.68 118.95 2qwz s LEU 104 Ca 0.18 0.13 0.07 0.00 -0.22 0.00 0.00 54.13 54.30 2qwz s LEU 104 Cb -0.08 -2.09 -0.14 0.00 0.50 0.00 0.00 46.19 44.38 2qwz s LEU 104 CO 0.08 0.10 -0.04 0.18 -1.32 0.00 0.00 176.35 175.36 2qwz n LEU 105 N 4.04 1.30 -3.86 -0.68 4.77 -0.21 -4.97 117.00 117.39 2qwz n LEU 105 Ca -0.15 -0.04 -0.13 0.00 -0.03 0.00 0.00 56.01 55.66 2qwz n LEU 105 Cb 0.52 -0.08 -0.14 0.00 -2.33 0.00 0.00 43.42 41.39 2qwz n LEU 105 CO 0.35 0.53 -0.36 -0.75 -1.33 0.00 0.00 177.39 175.84 2qwz s LYS 106 N -2.33 0.01 -0.38 3.23 2.20 -0.79 -4.96 119.74 116.71 2qwz s LYS 106 Ca -0.14 0.03 0.02 0.00 -0.36 0.00 0.00 55.97 55.51 2qwz s LYS 106 Cb 0.05 -0.06 0.15 0.00 -1.51 0.00 0.00 37.83 36.46 2qwz s LYS 106 CO 0.49 -0.02 0.26 -1.17 -0.36 0.00 0.00 175.35 174.54 2qwz s LEU 107 N 0.17 1.19 0.00 5.43 2.96 -1.26 -1.38 118.68 125.80 2qwz s LEU 107 Ca -0.01 -2.52 0.03 0.00 -0.22 0.00 0.00 54.13 51.40 2qwz s LEU 107 Cb -0.02 -0.43 0.04 0.00 0.50 0.00 0.00 46.19 46.28 2qwz s LEU 107 CO -0.00 -0.26 0.32 0.61 -1.32 0.00 0.00 176.35 175.70 2qwz n GLY 108 N 3.59 1.64 0.34 7.98 0.00 -0.25 -4.99 105.19 113.50 2qwz n GLY 108 Ca 0.18 -2.12 0.05 0.00 0.00 0.00 0.00 46.02 44.13 2qwz n GLY 108 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qwz h ARG 109 N 0.00 0.89 0.00 1.61 3.08 -2.00 -3.33 114.38 114.63 2qwz h ARG 109 Ca -0.11 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.89 2qwz h ARG 109 Cb 0.46 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2qwz h ARG 109 CO 0.14 0.59 -0.14 0.25 -1.07 0.00 0.00 179.97 179.74 2qwz n THR 110 N -4.67 0.00 -3.74 2.04 -2.24 -1.26 -4.80 114.28 99.61 2qwz n THR 110 Ca 0.16 -0.30 -0.12 0.00 -2.27 0.00 0.00 64.05 61.52 2qwz n THR 110 Cb 0.30 0.88 -0.13 0.00 -2.10 0.00 0.00 70.33 69.28 2qwz n THR 110 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2qwz s LEU 111 N -1.62 0.54 0.06 3.22 2.96 -1.25 -1.22 118.68 121.36 2qwz s LEU 111 Ca 0.00 0.51 0.06 0.00 -0.22 0.00 0.00 54.13 54.49 2qwz s LEU 111 Cb 0.00 0.74 -0.04 0.00 0.50 0.00 0.00 46.19 47.40 2qwz s LEU 111 CO 0.00 -0.15 -0.13 0.00 -1.32 0.00 0.00 176.35 174.75 2qwz s ALA 112 N 1.06 2.80 -0.02 5.97 0.00 -0.83 -1.09 121.76 129.65 2qwz s ALA 112 Ca -0.08 -1.19 -0.00 0.00 0.00 0.00 0.00 51.96 50.69 2qwz s ALA 112 Cb -0.09 -0.86 0.03 0.00 0.00 0.00 0.00 23.12 22.20 2qwz s ALA 112 CO -0.07 0.60 0.03 0.08 0.00 0.00 0.00 175.76 176.40 2qwz s VAL 113 N -1.05 -0.02 0.09 0.00 1.01 -0.48 -1.39 120.40 118.56 2qwz s VAL 113 Ca 0.18 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.40 2qwz s VAL 113 Cb -0.11 -0.12 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 2qwz s VAL 113 CO 0.09 0.11 -0.10 -0.83 0.00 0.00 0.00 175.10 174.37 2qwz s GLY 114 N 1.16 0.82 0.43 4.51 0.00 -1.26 -1.05 107.32 111.93 2qwz s GLY 114 Ca -0.08 -1.17 0.05 0.00 0.00 0.00 0.00 44.72 43.53 2qwz s GLY 114 CO -0.03 -1.24 0.01 0.51 0.00 0.00 0.00 173.10 172.36 2qwz s ASP 115 N -2.41 3.87 -0.21 1.64 1.47 -0.49 -4.48 116.67 116.06 2qwz s ASP 115 Ca 0.05 -1.45 -0.18 0.00 1.18 0.00 0.00 52.55 52.15 2qwz s ASP 115 Cb -0.03 -0.13 0.06 0.00 -0.34 0.00 0.00 42.92 42.48 2qwz s ASP 115 CO -0.00 -0.57 0.54 -0.51 0.68 0.00 0.00 175.17 175.31 2qwz s ILE 116 N -2.79 -0.00 -0.01 2.11 2.07 0.02 -0.74 121.20 121.86 2qwz s ILE 116 Ca 0.27 0.01 0.02 0.00 -1.41 0.00 0.00 60.65 59.54 2qwz s ILE 116 Cb 0.08 -0.76 -0.03 0.00 0.13 0.00 0.00 42.46 41.87 2qwz s ILE 116 CO 0.14 0.00 -0.04 -0.76 -1.91 0.00 0.00 174.94 172.37 2qwz s LEU 117 N 0.51 3.31 -0.08 8.50 1.43 -0.33 -1.37 118.68 130.64 2qwz s LEU 117 Ca -0.02 -0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.04 2qwz s LEU 117 Cb -0.04 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 2qwz s LEU 117 CO -0.02 0.29 -0.16 -0.76 0.23 0.00 0.00 176.35 175.93 2qwz s LEU 118 N -1.38 2.56 -0.03 1.79 1.02 0.82 -0.02 118.68 123.45 2qwz s LEU 118 Ca 0.17 -0.32 0.04 0.00 0.02 0.00 0.00 54.13 54.03 2qwz s LEU 118 Cb -0.11 -1.53 -0.00 0.00 0.02 0.00 0.00 46.19 44.56 2qwz s LEU 118 CO 0.08 0.25 -0.13 -0.36 0.02 0.00 0.00 176.35 176.21 2qwz s PHE 119 N -0.17 1.24 -0.07 0.29 0.40 0.05 -0.42 117.98 119.30 2qwz s PHE 119 Ca -0.01 -0.30 -0.30 0.00 -0.60 0.00 0.00 56.93 55.72 2qwz s PHE 119 Cb -0.13 -0.84 -0.05 0.00 0.51 0.00 0.00 43.02 42.51 2qwz s PHE 119 CO 0.03 -0.09 1.60 -1.12 0.70 0.00 0.00 175.22 176.34 2qwz s SER 120 N -0.02 6.71 0.15 1.36 0.01 -1.26 -0.09 113.70 120.56 2qwz s SER 120 Ca -0.00 2.16 -0.34 0.00 1.31 0.00 0.00 55.95 59.08 2qwz s SER 120 Cb -0.08 -2.53 -0.14 0.00 0.21 0.00 0.00 66.02 63.47 2qwz s SER 120 CO 0.01 -0.90 1.55 1.21 0.41 0.00 0.00 173.24 175.52 2qwz n GLU 121 N 7.03 2.03 0.00 12.44 2.13 -0.38 -4.70 120.64 139.18 2qwz n GLU 121 Ca 0.17 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.72 2qwz n GLU 121 Cb 0.43 -2.49 0.00 0.00 0.27 0.00 0.00 31.44 29.65 2qwz n GLU 121 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qwz n GLY 122 N 3.31 1.13 0.00 8.31 0.00 -1.26 -4.85 105.19 111.83 2qwz n GLY 122 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2qwz n GLY 122 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qwz n GLU 124 N -0.12 1.45 -2.48 1.61 1.02 -1.26 -5.23 120.64 115.63 2qwz n GLU 124 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 2qwz n GLU 124 Cb 0.00 -0.29 -0.02 0.00 -0.02 0.00 0.00 31.44 31.10 2qwz n GLU 124 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qwz s ALA 125 N -0.59 3.57 0.44 0.62 0.00 -1.26 -4.99 121.76 119.54 2qwz s ALA 125 Ca 0.00 0.50 -0.24 0.00 0.00 0.00 0.00 51.96 52.22 2qwz s ALA 125 Cb 0.00 -3.55 -0.08 0.00 0.00 0.00 0.00 23.12 19.49 2qwz s ALA 125 CO 0.00 -0.93 1.26 -1.25 0.00 0.00 0.00 175.76 174.84 2qwz s PRO 126 N 2.75 3.80 0.10 0.00 0.04 -1.26 -4.79 135.00 135.64 2qwz s PRO 126 Ca 0.54 2.03 0.05 0.00 0.04 0.00 0.00 61.00 63.66 2qwz s PRO 126 Cb -0.22 -2.58 -0.23 0.00 0.04 0.00 0.00 34.50 31.51 2qwz s PRO 126 CO 0.18 -0.59 1.19 -0.39 0.04 0.00 0.00 177.00 177.43 2qwz h VAL 127 N 2.15 1.59 -3.36 -0.36 -1.51 -0.99 -3.38 116.25 110.38 2qwz h VAL 127 Ca -0.50 -3.29 -0.05 0.00 -1.23 0.00 0.00 66.70 61.64 2qwz h VAL 127 Cb 1.25 2.83 -0.12 0.00 -2.13 0.00 0.00 31.29 33.12 2qwz h VAL 127 CO 0.61 0.92 -0.04 0.00 -1.23 0.00 0.00 177.57 177.83 2qwz s ALA 128 N -2.69 -0.96 0.13 5.19 0.00 -1.05 -1.98 121.76 120.40 2qwz s ALA 128 Ca -0.01 -0.06 0.05 0.00 0.00 0.00 0.00 51.96 51.94 2qwz s ALA 128 Cb 0.09 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.92 2qwz s ALA 128 CO 0.83 -0.68 -0.12 -0.98 0.00 0.00 0.00 175.76 174.81 2qwz s ARG 129 N -3.82 1.01 -0.03 0.00 1.70 -0.91 -0.13 118.95 116.78 2qwz s ARG 129 Ca 0.04 -1.30 -0.15 0.00 -0.47 0.00 0.00 55.73 53.86 2qwz s ARG 129 Cb 0.01 -0.74 0.02 0.00 -0.57 0.00 0.00 34.95 33.68 2qwz s ARG 129 CO -0.10 0.12 0.32 0.45 -1.08 0.00 0.00 175.30 175.01 2qwz s SER 130 N -2.71 -0.22 0.21 -2.89 0.15 -0.47 -0.36 113.70 107.41 2qwz s SER 130 Ca 0.11 0.17 0.01 0.00 0.70 0.00 0.00 55.95 56.94 2qwz s SER 130 Cb -0.02 0.36 0.01 0.00 -1.71 0.00 0.00 66.02 64.66 2qwz s SER 130 CO 0.02 -0.41 0.08 0.41 1.20 0.00 0.00 173.24 174.54 2qwz n THR 131 N 1.47 0.00 -3.64 6.45 -1.04 -0.45 -0.80 114.28 116.27 2qwz n THR 131 Ca -0.20 -0.92 -0.07 0.00 -2.04 0.00 0.00 64.05 60.82 2qwz n THR 131 Cb 0.56 -0.07 -0.07 0.00 -1.82 0.00 0.00 70.33 68.93 2qwz n THR 131 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2qwz s THR 133 N -1.40 0.00 0.13 12.58 2.01 -0.25 -1.40 115.64 127.31 2qwz s THR 133 Ca 0.06 0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.13 2qwz s THR 133 Cb -0.01 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 2qwz s THR 133 CO 0.04 0.00 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.51 2qwz s TYR 134 N 0.07 1.49 0.03 4.92 1.51 -0.48 -0.95 117.35 123.94 2qwz s TYR 134 Ca 0.05 -0.53 0.02 0.00 -1.01 0.00 0.00 57.07 55.60 2qwz s TYR 134 Cb -0.05 -0.78 -0.04 0.00 -0.11 0.00 0.00 41.96 40.99 2qwz s TYR 134 CO -0.10 0.18 0.02 -1.54 -1.11 0.00 0.00 175.55 173.00 2qwz s SER 135 N -2.43 5.22 -0.28 2.29 1.04 -0.07 -1.96 113.70 117.50 2qwz s SER 135 Ca 0.10 -0.03 -0.01 0.00 0.48 0.00 0.00 55.95 56.49 2qwz s SER 135 Cb -0.06 -1.36 0.05 0.00 0.10 0.00 0.00 66.02 64.75 2qwz s SER 135 CO 0.04 0.24 -0.02 -0.63 0.98 0.00 0.00 173.24 173.84 2qwz s ILE 136 N -1.19 2.89 0.80 -1.02 1.01 -0.36 -1.45 121.20 121.89 2qwz s ILE 136 Ca 0.22 -1.32 -0.11 0.00 0.00 0.00 0.00 60.65 59.44 2qwz s ILE 136 Cb -0.12 -2.62 0.07 0.00 0.01 0.00 0.00 42.46 39.81 2qwz s ILE 136 CO 0.14 -0.03 1.09 -2.84 0.00 0.00 0.00 174.94 173.30 2qwz s PRO 137 N 1.26 2.02 0.00 2.79 0.02 -1.26 -4.56 135.00 135.26 2qwz s PRO 137 Ca -0.04 0.97 0.00 0.00 0.02 0.00 0.00 61.00 61.94 2qwz s PRO 137 Cb -0.19 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.44 2qwz s PRO 137 CO -0.02 -1.75 0.00 -2.30 -0.33 0.00 0.00 177.00 172.60