#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2krt s LEU 2 N 0.00 0.75 0.00 4.03 1.98 -1.26 -5.06 118.68 119.12 2krt s LEU 2 Ca 0.00 -0.14 0.00 0.00 -2.89 0.00 0.00 54.13 51.10 2krt s LEU 2 Cb 0.00 -0.54 0.00 0.00 0.66 0.00 0.00 46.19 46.31 2krt s LEU 2 CO 0.00 -0.17 0.00 -1.20 -1.89 0.00 0.00 176.35 173.09 2krt n SER 3 N 5.07 0.00 -3.61 3.68 7.64 -1.26 -5.14 113.62 119.99 2krt n SER 3 Ca -0.09 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.70 2krt n SER 3 Cb 0.50 -0.02 -0.06 0.00 -1.01 0.00 0.00 64.21 63.62 2krt n SER 3 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2krt s GLN 4 N -0.28 0.48 -0.06 1.43 0.00 -1.26 -5.14 119.66 114.84 2krt s GLN 4 Ca 0.00 0.34 -0.29 0.00 -0.00 0.00 0.00 55.36 55.41 2krt s GLN 4 Cb 0.00 0.23 0.10 0.00 0.00 0.00 0.00 33.01 33.34 2krt s GLN 4 CO 0.00 -0.10 0.86 0.00 0.00 0.00 0.00 175.29 176.04 2krt s ALA 5 N -0.39 -1.83 0.34 2.60 0.00 -1.26 -5.01 121.76 116.21 2krt s ALA 5 Ca 0.02 1.24 0.05 0.00 0.00 0.00 0.00 51.96 53.27 2krt s ALA 5 Cb -0.03 -0.03 0.69 0.00 0.00 0.00 0.00 23.12 23.75 2krt s ALA 5 CO -0.04 -0.49 1.91 -0.91 0.00 0.00 0.00 175.76 176.23 2krt h ASN 6 N 2.41 0.74 0.08 0.00 2.35 -2.03 0.11 115.58 119.24 2krt h ASN 6 Ca -0.23 0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.44 2krt h ASN 6 Cb 1.20 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.42 2krt h ASN 6 CO 0.33 0.45 -0.32 1.05 -1.65 0.00 0.00 177.43 177.29 2krt h GLU 7 N 0.83 0.36 0.00 0.81 4.11 -2.00 -2.66 114.58 116.03 2krt h GLU 7 Ca 0.38 -0.15 -0.22 0.00 0.07 0.00 0.00 59.36 59.45 2krt h GLU 7 Cb 0.39 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2krt h GLU 7 CO -0.15 0.64 -0.92 -0.44 0.07 0.00 0.00 179.01 178.20 2krt h ASP 8 N 0.31 0.45 0.29 3.06 3.32 -1.39 -2.36 116.42 120.10 2krt h ASP 8 Ca 0.04 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 2krt h ASP 8 Cb 0.72 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.13 2krt h ASP 8 CO 0.05 1.16 -0.14 -0.26 -1.72 0.00 0.00 179.24 178.33 2krt h PHE 9 N 0.19 -0.37 -0.54 4.55 0.04 -0.75 0.83 116.94 120.89 2krt h PHE 9 Ca -0.07 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.70 2krt h PHE 9 Cb 1.56 0.12 -0.03 0.00 2.20 0.00 0.00 35.95 39.80 2krt h PHE 9 CO 0.05 -0.22 0.35 1.57 -0.60 0.00 0.00 178.31 179.47 2krt h LYS 10 N -0.41 0.72 -0.58 1.51 2.10 -1.55 -1.78 116.57 116.57 2krt h LYS 10 Ca -0.04 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 2krt h LYS 10 Cb 0.32 -0.16 -0.03 0.00 -0.90 0.00 0.00 32.23 31.46 2krt h LYS 10 CO 0.07 0.48 0.38 -0.22 -2.00 0.00 0.00 179.45 178.16 2krt h LYS 11 N 0.74 0.78 -0.91 0.07 3.64 -0.95 -1.58 116.57 118.36 2krt h LYS 11 Ca 0.20 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.55 2krt h LYS 11 Cb -0.07 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 31.52 2krt h LYS 11 CO -0.04 0.53 0.60 0.82 -2.27 0.00 0.00 179.45 179.08 2krt h ILE 12 N 0.79 1.18 -0.63 2.00 2.04 -0.00 0.14 117.51 123.02 2krt h ILE 12 Ca 0.21 -0.40 -0.09 0.00 1.00 0.00 0.00 64.86 65.58 2krt h ILE 12 Cb -0.07 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 35.90 2krt h ILE 12 CO -0.04 0.21 0.03 0.58 0.00 0.00 0.00 178.15 178.93 2krt h VAL 13 N 1.16 1.27 0.00 1.67 2.07 -0.84 -1.98 116.25 119.59 2krt h VAL 13 Ca 0.35 -1.13 -0.08 0.00 0.82 0.00 0.00 66.70 66.67 2krt h VAL 13 Cb -0.03 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2krt h VAL 13 CO -0.10 0.41 -0.38 0.78 0.02 0.00 0.00 177.57 178.31 2krt h ASN 14 N 1.00 0.00 -0.17 0.57 2.35 -0.87 -2.97 115.58 115.49 2krt h ASN 14 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 2krt h ASN 14 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 2krt h ASN 14 CO 0.03 0.38 0.00 0.59 -1.65 0.00 0.00 177.43 176.77 2krt n ASN 15 N -3.60 1.06 -4.63 5.81 3.02 0.44 -4.84 115.26 112.53 2krt n ASN 15 Ca -0.01 -1.88 -0.43 0.00 -0.03 0.00 0.00 54.58 52.24 2krt n ASN 15 Cb 0.49 -0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.52 2krt n ASN 15 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2krt s ILE 16 N -1.77 3.34 0.08 2.41 1.01 -0.81 -4.81 121.20 120.65 2krt s ILE 16 Ca 0.19 0.39 0.09 0.00 0.00 0.00 0.00 60.65 61.32 2krt s ILE 16 Cb 0.10 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 2krt s ILE 16 CO 0.14 -0.15 -0.24 -0.60 0.00 0.00 0.00 174.94 174.10 2krt s ARG 17 N 5.06 1.74 0.00 2.79 6.06 -1.26 -4.97 118.95 128.37 2krt s ARG 17 Ca 0.83 -1.16 0.00 0.00 -2.50 0.00 0.00 55.73 52.90 2krt s ARG 17 Cb -0.31 -2.02 0.00 0.00 0.06 0.00 0.00 34.95 32.68 2krt s ARG 17 CO 0.34 0.50 0.28 1.47 -2.50 0.00 0.00 175.30 175.38 2krt n LEU 18 N 1.34 0.56 0.00 -0.88 -0.00 -1.26 -1.75 117.00 115.00 2krt n LEU 18 Ca -0.17 -0.28 0.00 0.00 -0.00 0.00 0.00 56.01 55.56 2krt n LEU 18 Cb 0.52 -0.27 0.00 0.00 -0.00 0.00 0.00 43.42 43.67 2krt n LEU 18 CO 0.25 0.14 0.00 2.29 -0.00 0.00 0.00 177.39 180.06 2krt n LYS 19 N 0.23 0.00 0.12 1.47 2.85 -1.10 -4.08 118.16 117.66 2krt n LYS 19 Ca 0.00 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.06 2krt n LYS 19 Cb 0.14 -0.21 -0.15 0.00 -0.65 0.00 0.00 35.03 34.16 2krt n LYS 19 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 2krt h ASP 20 N 0.00 0.62 0.00 -5.58 3.58 -1.95 -3.40 116.42 109.69 2krt h ASP 20 Ca 0.00 -0.69 -0.26 0.00 0.42 0.00 0.00 57.03 56.49 2krt h ASP 20 Cb 0.00 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 40.81 2krt h ASP 20 CO 0.00 1.55 -1.49 0.41 -2.88 0.00 0.00 179.24 176.83 2krt n THR 21 N -3.61 1.52 -3.67 2.25 -1.04 -0.72 -4.75 114.28 104.26 2krt n THR 21 Ca -0.14 -0.08 -0.12 0.00 -2.04 0.00 0.00 64.05 61.67 2krt n THR 21 Cb 1.07 -2.04 -0.08 0.00 -1.82 0.00 0.00 70.33 67.45 2krt n THR 21 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 2krt s PHE 22 N -2.40 -0.70 -0.33 -1.42 -0.71 -1.00 -0.56 117.98 110.87 2krt s PHE 22 Ca -0.30 1.61 -0.12 0.00 -1.04 0.00 0.00 56.93 57.08 2krt s PHE 22 Cb 0.08 0.29 -0.02 0.00 -1.21 0.00 0.00 43.02 42.15 2krt s PHE 22 CO 0.53 -0.35 0.22 0.16 -1.34 0.00 0.00 175.22 174.45 2krt s ASP 23 N 0.66 6.00 -0.14 1.98 -4.77 -0.91 -2.71 116.67 116.78 2krt s ASP 23 Ca -0.03 -0.35 -0.20 0.00 -3.30 0.00 0.00 52.55 48.67 2krt s ASP 23 Cb -0.05 -2.12 -0.04 0.00 -1.09 0.00 0.00 42.92 39.63 2krt s ASP 23 CO -0.04 -0.20 0.56 0.72 0.70 0.00 0.00 175.17 176.91 2krt s PHE 24 N 1.72 3.47 -0.16 2.11 -0.71 -1.26 -2.64 117.98 120.52 2krt s PHE 24 Ca 0.06 0.94 -0.02 0.00 -1.04 0.00 0.00 56.93 56.88 2krt s PHE 24 Cb -0.17 -2.68 -0.02 0.00 -1.21 0.00 0.00 43.02 38.95 2krt s PHE 24 CO 0.10 0.03 -0.08 0.21 -1.34 0.00 0.00 175.22 174.14 2krt s LYS 25 N 1.12 3.47 0.14 1.99 2.20 -0.19 -4.72 119.74 123.74 2krt s LYS 25 Ca 0.28 -0.62 -0.30 0.00 -0.36 0.00 0.00 55.97 54.97 2krt s LYS 25 Cb -0.16 -2.80 -0.07 0.00 -1.51 0.00 0.00 37.83 33.30 2krt s LYS 25 CO 0.12 0.13 1.10 -0.51 -0.36 0.00 0.00 175.35 175.83 2krt s LEU 26 N 0.60 4.46 0.22 5.43 2.01 -1.25 -0.33 118.68 129.81 2krt s LEU 26 Ca -0.05 2.02 -0.09 0.00 0.01 0.00 0.00 54.13 56.03 2krt s LEU 26 Cb -0.15 -3.60 0.21 0.00 0.01 0.00 0.00 46.19 42.66 2krt s LEU 26 CO 0.03 -0.27 1.88 0.00 1.01 0.00 0.00 176.35 179.00 2krt h ALA 27 N 5.62 1.05 0.00 4.21 0.00 -1.53 -2.34 119.26 126.28 2krt h ALA 27 Ca -0.43 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 2krt h ALA 27 Cb 1.21 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2krt h ALA 27 CO 0.74 0.40 -0.38 0.00 0.00 0.00 0.00 179.25 180.01 2krt h ALA 28 N 1.32 0.79 -2.57 0.00 0.00 -1.92 -3.38 119.26 113.49 2krt h ALA 28 Ca 0.31 -0.35 -0.60 0.00 0.00 0.00 0.00 54.91 54.27 2krt h ALA 28 Cb -0.06 -0.06 -0.41 0.00 0.00 0.00 0.00 17.79 17.26 2krt h ALA 28 CO -0.09 0.48 -0.75 1.19 0.00 0.00 0.00 179.25 180.08 2krt n PHE 29 N -3.24 1.84 0.28 0.00 3.72 -0.91 -4.96 117.46 114.19 2krt n PHE 29 Ca 0.02 -3.93 0.17 0.00 -0.05 0.00 0.00 57.45 53.65 2krt n PHE 29 Cb 0.65 -0.36 0.75 0.00 -0.94 0.00 0.00 39.48 39.58 2krt n PHE 29 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2krt h PRO 30 N 5.00 0.00 -0.13 -1.08 0.13 -1.68 -2.99 132.00 131.25 2krt h PRO 30 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2krt h PRO 30 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2krt h PRO 30 CO 0.63 0.04 0.00 0.09 -0.23 0.00 0.00 178.00 178.52 2krt n ASN 31 N -3.17 2.43 -4.23 1.44 3.02 -1.26 -4.87 115.26 108.61 2krt n ASN 31 Ca -0.00 -2.12 -0.42 0.00 -0.03 0.00 0.00 54.58 52.01 2krt n ASN 31 Cb 0.28 -0.13 -0.06 0.00 -0.61 0.00 0.00 39.78 39.26 2krt n ASN 31 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2krt s GLN 32 N -1.21 3.00 0.82 3.52 -1.52 -1.13 -5.08 119.66 118.07 2krt s GLN 32 Ca 0.12 -2.27 -0.12 0.00 -1.95 0.00 0.00 55.36 51.14 2krt s GLN 32 Cb 0.08 -4.10 0.08 0.00 -0.22 0.00 0.00 33.01 28.84 2krt s GLN 32 CO 0.06 -1.24 1.10 -0.80 -0.25 0.00 0.00 175.29 174.16 2krt s ASN 33 N 1.95 4.31 0.00 5.90 0.01 -1.26 -4.62 114.94 121.23 2krt s ASN 33 Ca 0.14 1.30 0.00 0.00 -0.71 0.00 0.00 52.86 53.58 2krt s ASN 33 Cb -0.18 -2.01 0.00 0.00 0.41 0.00 0.00 41.25 39.46 2krt s ASN 33 CO -0.05 -2.08 0.90 0.00 -1.51 0.00 0.00 177.10 174.36 2krt n TYR 34 N -3.50 0.00 1.21 2.20 0.18 -1.26 -1.10 117.16 114.89 2krt n TYR 34 Ca 0.07 0.00 0.13 0.00 1.88 0.00 0.00 57.90 59.98 2krt n TYR 34 Cb 0.56 -0.40 0.48 0.00 -0.38 0.00 0.00 39.34 39.60 2krt n TYR 34 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 2krt n ASP 35 N -1.40 0.50 0.00 9.48 2.03 -1.26 -4.45 116.55 121.45 2krt n ASP 35 Ca 0.00 -0.37 0.00 0.00 0.52 0.00 0.00 54.79 54.94 2krt n ASP 35 Cb 0.07 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 2krt n ASP 35 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2krt n GLN 36 N -1.13 0.00 -2.12 -0.67 10.64 -0.25 -4.78 117.38 119.07 2krt n GLN 36 Ca 0.11 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.86 2krt n GLN 36 Cb 0.31 -0.43 -0.03 0.00 -0.86 0.00 0.00 30.24 29.24 2krt n GLN 36 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 2krt s LEU 37 N -2.02 4.39 0.27 2.61 0.20 -0.36 -4.97 118.68 118.80 2krt s LEU 37 Ca 0.00 2.49 -0.29 0.00 0.69 0.00 0.00 54.13 57.01 2krt s LEU 37 Cb 0.00 -3.61 -0.09 0.00 -0.43 0.00 0.00 46.19 42.06 2krt s LEU 37 CO 0.00 -0.63 1.22 -0.76 -0.29 0.00 0.00 176.35 175.89 2krt s LEU 38 N 0.16 4.47 0.21 -0.68 1.02 -1.26 -4.80 118.68 117.80 2krt s LEU 38 Ca 0.60 2.43 -0.10 0.00 0.02 0.00 0.00 54.13 57.09 2krt s LEU 38 Cb -0.39 -3.63 0.21 0.00 0.02 0.00 0.00 46.19 42.41 2krt s LEU 38 CO 0.37 -0.37 1.83 1.55 0.02 0.00 0.00 176.35 179.76 2krt h PRO 39 N 4.11 0.77 -0.70 1.29 0.13 -1.94 -0.86 132.00 134.80 2krt h PRO 39 Ca -0.47 -0.05 0.07 0.00 -0.87 0.00 0.00 66.00 64.69 2krt h PRO 39 Cb 1.22 -0.17 -0.04 0.00 0.13 0.00 0.00 31.00 32.13 2krt h PRO 39 CO 0.69 0.51 0.46 0.77 -0.23 0.00 0.00 178.00 180.20 2krt h SER 40 N 0.79 0.61 -0.01 1.44 0.02 -1.98 -0.32 113.55 114.10 2krt h SER 40 Ca 0.29 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.12 2krt h SER 40 Cb 0.09 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 62.51 2krt h SER 40 CO -0.14 0.39 -0.47 1.56 -1.14 0.00 0.00 176.83 177.04 2krt h GLN 41 N 0.69 0.34 -0.89 3.45 1.08 -1.66 -3.27 115.11 114.86 2krt h GLN 41 Ca 0.31 -0.35 0.13 0.00 -1.45 0.00 0.00 58.65 57.29 2krt h GLN 41 Cb 0.31 0.09 -0.09 0.00 -0.05 0.00 0.00 27.48 27.75 2krt h GLN 41 CO -0.10 1.03 0.51 0.82 -0.95 0.00 0.00 178.83 180.13 2krt h ILE 42 N -0.21 0.83 -0.88 2.54 2.04 -0.74 -1.62 117.51 119.47 2krt h ILE 42 Ca -0.05 -0.27 0.20 0.00 1.00 0.00 0.00 64.86 65.74 2krt h ILE 42 Cb 1.18 -0.01 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 2krt h ILE 42 CO 0.09 0.14 0.59 0.22 0.00 0.00 0.00 178.15 179.19 2krt h TYR 43 N 0.77 0.49 -0.00 1.37 3.20 -1.11 -1.17 116.97 120.52 2krt h TYR 43 Ca 0.46 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.34 2krt h TYR 43 Cb 0.53 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.65 2krt h TYR 43 CO -0.05 0.13 -0.08 1.63 -1.64 0.00 0.00 178.16 178.15 2krt n LYS 44 N -4.49 0.11 0.00 1.82 4.76 -0.61 -3.66 118.16 116.10 2krt n LYS 44 Ca 0.19 -0.02 0.13 0.00 -2.87 0.00 0.00 58.31 55.73 2krt n LYS 44 Cb 0.70 -1.50 0.69 0.00 -1.84 0.00 0.00 35.03 33.08 2krt n LYS 44 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2krt n ASN 45 N -1.43 0.00 -0.21 4.39 3.02 -0.44 -3.46 115.26 117.13 2krt n ASN 45 Ca 0.08 -0.40 0.08 0.00 -0.03 0.00 0.00 54.58 54.32 2krt n ASN 45 Cb 0.32 -0.16 0.36 0.00 -0.61 0.00 0.00 39.78 39.69 2krt n ASN 45 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 2krt h TYR 46 N 0.00 0.78 -0.01 3.10 -0.00 -1.75 -0.58 116.97 118.51 2krt h TYR 46 Ca 0.00 0.02 -0.16 0.00 -0.00 0.00 0.00 58.73 58.59 2krt h TYR 46 Cb 0.13 -0.25 -0.02 0.00 -0.00 0.00 0.00 36.73 36.59 2krt h TYR 46 CO 0.00 0.38 -0.72 -0.92 -0.00 0.00 0.00 178.16 176.90 2krt h TYR 47 N 0.74 0.10 0.05 0.10 3.20 -1.89 -3.37 116.97 115.91 2krt h TYR 47 Ca 0.36 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.18 2krt h TYR 47 Cb 0.41 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.67 2krt h TYR 47 CO -0.00 0.76 -0.03 1.96 -1.64 0.00 0.00 178.16 179.22 2krt h GLN 48 N 0.05 -0.07 0.00 1.82 1.08 -1.39 -3.51 115.11 113.09 2krt h GLN 48 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2krt h GLN 48 Cb 1.27 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.71 2krt h GLN 48 CO 0.10 -0.05 0.00 0.41 -0.95 0.00 0.00 178.83 178.34 2krt n GLY 49 N 1.60 4.68 3.22 3.46 0.00 -0.36 -4.91 105.19 112.87 2krt n GLY 49 Ca -0.01 -1.08 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 2krt n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2krt s ILE 50 N -1.75 1.88 -0.27 -0.61 1.01 -1.26 -1.25 121.20 118.96 2krt s ILE 50 Ca 0.00 -0.96 -0.15 0.00 0.00 0.00 0.00 60.65 59.55 2krt s ILE 50 Cb 0.00 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 2krt s ILE 50 CO 0.00 0.53 0.36 -1.61 0.00 0.00 0.00 174.94 174.21 2krt s GLU 51 N 0.04 4.02 -0.58 2.79 0.41 0.55 -4.94 118.70 120.98 2krt s GLU 51 Ca -0.08 0.01 -0.12 0.00 -0.41 0.00 0.00 54.97 54.38 2krt s GLU 51 Cb -0.14 -3.65 0.15 0.00 -1.78 0.00 0.00 34.13 28.70 2krt s GLU 51 CO 0.05 -0.26 0.49 0.42 -0.49 0.00 0.00 175.26 175.47 2krt s ILE 52 N 2.02 4.78 -1.11 -1.63 -1.09 -1.26 -1.02 121.20 121.88 2krt s ILE 52 Ca 0.14 -1.93 -0.17 0.00 -2.23 0.00 0.00 60.65 56.47 2krt s ILE 52 Cb -0.16 -4.07 0.14 0.00 -1.58 0.00 0.00 42.46 36.79 2krt s ILE 52 CO 0.10 -0.87 1.38 -1.10 -1.23 0.00 0.00 174.94 173.22 2krt s GLN 53 N 1.08 3.88 0.14 2.79 1.11 -1.08 -4.99 119.66 122.59 2krt s GLN 53 Ca 0.08 -2.13 -0.20 0.00 0.01 0.00 0.00 55.36 53.13 2krt s GLN 53 Cb -0.24 -5.10 -0.07 0.00 -1.01 0.00 0.00 33.01 26.59 2krt s GLN 53 CO -0.01 -1.87 0.64 1.14 0.01 0.00 0.00 175.29 175.20 2krt s GLN 54 N 2.55 4.25 0.00 2.91 -2.07 -1.26 -2.15 119.66 123.89 2krt s GLN 54 Ca 0.41 0.81 0.00 0.00 -1.82 0.00 0.00 55.36 54.76 2krt s GLN 54 Cb -0.02 -3.11 0.00 0.00 -1.09 0.00 0.00 33.01 28.79 2krt s GLN 54 CO -0.03 0.54 0.00 0.72 -1.32 0.00 0.00 175.29 175.21 2krt n HIS 55 N 1.31 0.00 -0.06 9.60 8.25 0.28 -4.98 115.22 129.62 2krt n HIS 55 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2krt n HIS 55 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 2krt n HIS 55 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2krt n LYS 56 N -1.54 1.14 -0.39 -0.41 5.02 -1.23 -4.80 118.16 115.95 2krt n LYS 56 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 2krt n LYS 56 Cb 0.30 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.23 2krt n LYS 56 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2krt n TYR 57 N 0.00 0.00 0.25 2.13 4.02 -1.26 -4.56 117.16 117.74 2krt n TYR 57 Ca 0.00 -0.46 0.12 0.00 -0.01 0.00 0.00 57.90 57.55 2krt n TYR 57 Cb 0.00 -0.68 0.11 0.00 -0.02 0.00 0.00 39.34 38.75 2krt n TYR 57 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 2krt h GLN 58 N 9.19 0.00 0.00 -0.72 1.08 -1.87 -2.78 115.11 120.00 2krt h GLN 58 Ca 0.17 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 2krt h GLN 58 Cb 0.48 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 2krt h GLN 58 CO 1.64 0.00 0.00 0.09 -0.95 0.00 0.00 178.83 179.61 2krt n ASN 59 N -2.71 0.00 -0.03 1.46 3.02 -1.26 -3.35 115.26 112.39 2krt n ASN 59 Ca 0.02 0.38 -0.04 0.00 -0.03 0.00 0.00 54.58 54.91 2krt n ASN 59 Cb 0.52 -0.44 -0.04 0.00 -0.61 0.00 0.00 39.78 39.20 2krt n ASN 59 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2krt n GLU 60 N -1.44 1.70 -4.35 3.52 2.13 -1.20 -4.81 120.64 116.19 2krt n GLU 60 Ca 0.05 0.02 -0.24 0.00 0.66 0.00 0.00 57.16 57.64 2krt n GLU 60 Cb 0.17 -1.15 -0.17 0.00 0.27 0.00 0.00 31.44 30.56 2krt n GLU 60 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 2krt s LEU 61 N -4.91 1.48 -0.16 4.31 0.05 -1.06 -0.76 118.68 117.64 2krt s LEU 61 Ca -0.06 -0.27 -0.16 0.00 0.05 0.00 0.00 54.13 53.68 2krt s LEU 61 Cb 0.02 -0.77 -0.04 0.00 -2.05 0.00 0.00 46.19 43.35 2krt s LEU 61 CO 0.21 -0.02 0.40 -0.62 -0.55 0.00 0.00 176.35 175.77 2krt s ASP 62 N 0.97 6.53 -0.27 1.48 2.15 -0.68 -4.15 116.67 122.70 2krt s ASP 62 Ca -0.09 0.62 -0.09 0.00 0.43 0.00 0.00 52.55 53.43 2krt s ASP 62 Cb -0.15 -2.24 -0.03 0.00 -0.30 0.00 0.00 42.92 40.20 2krt s ASP 62 CO 0.00 -0.01 0.12 -0.63 -0.17 0.00 0.00 175.17 174.48 2krt s ILE 63 N 0.87 4.63 -0.02 4.11 1.01 -1.26 -2.37 121.20 128.16 2krt s ILE 63 Ca 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 60.65 60.67 2krt s ILE 63 Cb -0.14 -3.24 0.01 0.00 0.01 0.00 0.00 42.46 39.10 2krt s ILE 63 CO 0.08 0.24 0.06 -0.54 0.00 0.00 0.00 174.94 174.78 2krt s LYS 64 N 1.65 0.06 -0.11 2.79 -0.14 -1.24 -4.97 119.74 117.78 2krt s LYS 64 Ca 0.06 0.11 -0.17 0.00 -1.36 0.00 0.00 55.97 54.61 2krt s LYS 64 Cb -0.16 -0.01 -0.04 0.00 -1.68 0.00 0.00 37.83 35.94 2krt s LYS 64 CO 0.06 -0.03 0.43 0.42 -0.76 0.00 0.00 175.35 175.47 2krt s ILE 65 N 0.21 5.18 -0.02 2.17 1.01 -1.26 -0.61 121.20 127.88 2krt s ILE 65 Ca -0.01 0.87 -0.01 0.00 0.00 0.00 0.00 60.65 61.49 2krt s ILE 65 Cb -0.02 -3.77 -0.00 0.00 0.01 0.00 0.00 42.46 38.67 2krt s ILE 65 CO -0.01 0.37 -0.02 0.40 0.00 0.00 0.00 174.94 175.69 2krt h ILE 66 N 4.57 0.00 -2.73 2.92 2.04 -0.99 -3.48 117.51 119.85 2krt h ILE 66 Ca -0.42 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.19 2krt h ILE 66 Cb 1.18 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 2krt h ILE 66 CO 0.74 0.00 0.10 -0.46 0.00 0.00 0.00 178.15 178.53 2krt n ASN 67 N -2.64 -1.20 -4.47 1.72 6.94 -1.26 -4.97 115.26 109.38 2krt n ASN 67 Ca -0.01 -1.98 -0.33 0.00 -0.02 0.00 0.00 54.58 52.25 2krt n ASN 67 Cb 0.03 2.05 -0.13 0.00 -2.36 0.00 0.00 39.78 39.36 2krt n ASN 67 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 2krt s PHE 68 N -4.72 2.67 0.18 -2.53 0.08 -1.26 -2.17 117.98 110.24 2krt s PHE 68 Ca 0.11 -0.18 0.08 0.00 0.12 0.00 0.00 56.93 57.07 2krt s PHE 68 Cb -0.02 -1.61 -0.04 0.00 -0.57 0.00 0.00 43.02 40.77 2krt s PHE 68 CO 0.08 0.18 -0.17 -0.51 -0.10 0.00 0.00 175.22 174.70 2krt s LEU 69 N -0.76 2.47 -0.07 -0.37 1.02 -0.33 -4.98 118.68 115.66 2krt s LEU 69 Ca 0.12 -0.91 -0.15 0.00 0.02 0.00 0.00 54.13 53.21 2krt s LEU 69 Cb -0.11 -0.80 -0.05 0.00 0.02 0.00 0.00 46.19 45.26 2krt s LEU 69 CO 0.01 -0.07 0.38 -0.31 0.02 0.00 0.00 176.35 176.38 2krt s TYR 70 N -2.29 3.61 0.00 0.29 2.02 -1.26 -0.57 117.35 119.14 2krt s TYR 70 Ca 0.18 0.85 -0.01 0.00 -0.37 0.00 0.00 57.07 57.72 2krt s TYR 70 Cb -0.04 -2.33 -0.05 0.00 -0.40 0.00 0.00 41.96 39.14 2krt s TYR 70 CO 0.07 0.45 1.80 -0.35 -1.57 0.00 0.00 175.55 175.95 2krt n PRO 71 N 2.64 0.92 0.05 -1.71 -0.04 -1.26 -3.84 135.00 131.74 2krt n PRO 71 Ca -0.12 -0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.17 2krt n PRO 71 Cb 0.52 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 2krt n PRO 71 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2krt n ASP 72 N 1.85 -0.85 0.00 3.54 2.03 -1.26 -4.99 116.55 116.87 2krt n ASP 72 Ca 0.07 0.50 0.00 0.00 0.52 0.00 0.00 54.79 55.88 2krt n ASP 72 Cb 0.44 1.12 0.00 0.00 -0.72 0.00 0.00 41.12 41.97 2krt n ASP 72 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2krt n GLY 73 N -1.11 1.18 3.82 0.27 0.00 -1.25 -5.11 105.19 102.98 2krt n GLY 73 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2krt n GLY 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2krt s ASP 74 N -0.42 6.80 0.25 1.61 2.15 -1.26 -5.00 116.67 120.80 2krt s ASP 74 Ca 0.00 0.95 -0.05 0.00 0.43 0.00 0.00 52.55 53.89 2krt s ASP 74 Cb 0.00 -2.26 0.28 0.00 -0.30 0.00 0.00 42.92 40.64 2krt s ASP 74 CO 0.00 0.27 1.82 2.19 -0.17 0.00 0.00 175.17 179.28 2krt h PHE 75 N 5.02 1.06 -0.61 -5.34 -0.00 -2.01 -2.91 116.94 112.15 2krt h PHE 75 Ca -0.50 -0.08 -0.08 0.00 -0.00 0.00 0.00 57.97 57.32 2krt h PHE 75 Cb 1.21 -0.32 -0.02 0.00 -0.00 0.00 0.00 35.95 36.82 2krt h PHE 75 CO 0.69 0.81 0.07 0.78 -0.00 0.00 0.00 178.31 180.67 2krt h GLY 76 N 1.08 1.12 0.37 6.09 0.00 -1.97 -1.19 103.07 108.57 2krt h GLY 76 Ca 0.23 -0.77 0.14 0.00 0.00 0.00 0.00 47.33 46.93 2krt h GLY 76 CO -0.02 0.71 0.59 1.76 0.00 0.00 0.00 176.54 179.59 2krt h SER 77 N 0.94 0.84 0.05 0.19 0.02 -1.93 0.15 113.55 113.81 2krt h SER 77 Ca 0.18 0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 61.13 2krt h SER 77 Cb 0.47 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 62.92 2krt h SER 77 CO 0.02 0.41 -0.30 0.00 -1.14 0.00 0.00 176.83 175.82 2krt h ALA 78 N 1.56 -0.03 0.00 3.77 0.00 -1.48 -3.36 119.26 119.71 2krt h ALA 78 Ca 0.50 -0.57 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2krt h ALA 78 Cb 0.59 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2krt h ALA 78 CO -0.30 0.14 -0.35 -0.91 0.00 0.00 0.00 179.25 177.82 2krt h ASN 79 N -0.77 0.00 -0.25 0.00 4.21 -1.02 0.17 115.58 117.91 2krt h ASN 79 Ca -0.05 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.42 2krt h ASN 79 Cb 1.24 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.43 2krt h ASN 79 CO 0.06 0.35 0.01 0.07 -1.29 0.00 0.00 177.43 176.63 2krt h LYS 80 N 0.00 0.44 0.00 0.81 2.10 -0.86 -3.17 116.57 115.89 2krt h LYS 80 Ca -0.00 -0.14 0.00 0.00 -2.00 0.00 0.00 60.65 58.51 2krt h LYS 80 Cb 0.67 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 2krt h LYS 80 CO 0.05 0.61 -0.98 -1.71 -2.00 0.00 0.00 179.45 175.41 2krt n ASN 81 N -4.64 0.65 -1.95 7.07 4.05 -1.20 0.64 115.26 119.89 2krt n ASN 81 Ca -0.03 -0.39 -0.07 0.00 0.45 0.00 0.00 54.58 54.54 2krt n ASN 81 Cb 0.24 0.81 0.04 0.00 1.23 0.00 0.00 39.78 42.10 2krt n ASN 81 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2krt n GLY 82 N 1.41 0.15 3.42 8.20 0.00 0.49 -4.34 105.19 114.52 2krt n GLY 82 Ca 0.03 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 2krt n GLY 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2krt s THR 83 N -3.14 2.61 0.02 2.61 -4.23 -0.58 -1.87 115.64 111.07 2krt s THR 83 Ca 0.04 -1.08 -0.03 0.00 -1.18 0.00 0.00 61.69 59.43 2krt s THR 83 Cb -0.02 -2.03 -0.01 0.00 1.34 0.00 0.00 72.50 71.78 2krt s THR 83 CO 0.29 0.46 0.05 -0.22 -0.54 0.00 0.00 174.62 174.66 2krt s LEU 84 N -1.06 1.95 -0.19 4.79 2.96 -0.56 -4.65 118.68 121.92 2krt s LEU 84 Ca 0.12 -0.44 -0.06 0.00 -0.22 0.00 0.00 54.13 53.54 2krt s LEU 84 Cb -0.10 0.38 -0.03 0.00 0.50 0.00 0.00 46.19 46.94 2krt s LEU 84 CO 0.02 -0.38 0.02 -0.54 -1.32 0.00 0.00 176.35 174.15 2krt s LYS 85 N -1.79 3.72 -0.24 1.98 1.02 0.26 -2.08 119.74 122.61 2krt s LYS 85 Ca -0.12 -0.47 -0.13 0.00 0.02 0.00 0.00 55.97 55.26 2krt s LYS 85 Cb -0.07 -3.11 -0.04 0.00 -0.52 0.00 0.00 37.83 34.09 2krt s LYS 85 CO -0.01 0.10 0.30 -0.51 -0.92 0.00 0.00 175.35 174.30 2krt s LEU 86 N 0.80 4.10 -0.62 3.17 2.01 -0.41 -1.19 118.68 126.54 2krt s LEU 86 Ca 0.01 0.27 -0.22 0.00 0.01 0.00 0.00 54.13 54.20 2krt s LEU 86 Cb -0.14 -2.32 0.07 0.00 0.01 0.00 0.00 46.19 43.81 2krt s LEU 86 CO 0.02 -0.06 0.89 -0.44 1.01 0.00 0.00 176.35 177.77 2krt s SER 87 N 1.29 6.20 -0.14 2.29 0.01 -0.92 -1.18 113.70 121.26 2krt s SER 87 Ca 0.13 -0.99 -0.15 0.00 1.31 0.00 0.00 55.95 56.25 2krt s SER 87 Cb -0.15 -2.39 -0.05 0.00 0.21 0.00 0.00 66.02 63.65 2krt s SER 87 CO 0.08 -1.32 0.37 -0.76 0.41 0.00 0.00 173.24 172.01 2krt s LEU 88 N 3.70 4.27 -0.54 2.44 2.01 -0.16 -0.25 118.68 130.14 2krt s LEU 88 Ca 0.21 0.64 -0.19 0.00 0.01 0.00 0.00 54.13 54.80 2krt s LEU 88 Cb -0.18 -2.50 0.08 0.00 0.01 0.00 0.00 46.19 43.60 2krt s LEU 88 CO 0.11 0.08 0.64 0.00 1.01 0.00 0.00 176.35 178.18 2krt s MET 89 N 0.43 3.07 -0.39 1.70 0.23 0.22 -1.07 119.30 123.49 2krt s MET 89 Ca 0.20 -1.15 -0.21 0.00 -1.03 0.00 0.00 55.69 53.50 2krt s MET 89 Cb -0.14 -4.19 0.01 0.00 -1.53 0.00 0.00 34.83 28.99 2krt s MET 89 CO 0.07 -1.36 0.68 -0.51 -2.03 0.00 0.00 175.02 171.87 2krt s LEU 90 N 2.54 4.28 -0.50 0.18 2.01 -0.08 -3.59 118.68 123.53 2krt s LEU 90 Ca 0.12 0.04 -0.22 0.00 0.01 0.00 0.00 54.13 54.08 2krt s LEU 90 Cb -0.22 -2.84 0.04 0.00 0.01 0.00 0.00 46.19 43.18 2krt s LEU 90 CO 0.09 -0.71 0.75 -0.89 1.01 0.00 0.00 176.35 176.60 2krt s THR 91 N 2.89 4.68 -0.57 5.49 2.01 -1.00 -0.88 115.64 128.25 2krt s THR 91 Ca 0.26 -0.01 -0.26 0.00 0.31 0.00 0.00 61.69 61.99 2krt s THR 91 Cb -0.14 -4.36 -0.06 0.00 0.01 0.00 0.00 72.50 67.95 2krt s THR 91 CO 0.17 -0.85 2.22 -1.81 -0.69 0.00 0.00 174.62 173.66 2krt s ASP 92 N 2.53 4.66 0.29 3.53 1.11 -0.40 -1.69 116.67 126.72 2krt s ASP 92 Ca 0.23 0.69 0.01 0.00 0.18 0.00 0.00 52.55 53.66 2krt s ASP 92 Cb -0.15 -2.52 0.55 0.00 1.07 0.00 0.00 42.92 41.87 2krt s ASP 92 CO 0.17 -2.82 1.86 0.11 1.18 0.00 0.00 175.17 175.68 2krt h LYS 93 N 17.25 0.98 0.07 8.23 1.79 -1.26 0.81 116.57 144.45 2krt h LYS 93 Ca -0.21 -0.06 -0.25 0.00 -2.18 0.00 0.00 60.65 57.95 2krt h LYS 93 Cb 1.20 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 31.62 2krt h LYS 93 CO 1.17 0.65 -1.21 1.57 -1.08 0.00 0.00 179.45 180.55 2krt h LYS 94 N 1.01 0.15 0.00 3.15 2.10 -1.88 -3.34 116.57 117.77 2krt h LYS 94 Ca 0.46 -0.26 0.00 0.00 -2.00 0.00 0.00 60.65 58.85 2krt h LYS 94 Cb 0.39 0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 2krt h LYS 94 CO -0.21 1.09 -1.01 0.09 -2.00 0.00 0.00 179.45 177.40 2krt n ASN 95 N -3.43 0.65 -1.60 7.07 4.13 -0.90 -4.96 115.26 116.22 2krt n ASN 95 Ca -0.07 -0.39 -0.21 0.00 1.68 0.00 0.00 54.58 55.60 2krt n ASN 95 Cb 1.00 0.85 -0.09 0.00 -1.54 0.00 0.00 39.78 40.00 2krt n ASN 95 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2krt n ASN 96 N -1.81 -5.49 -3.52 6.41 5.03 0.28 -4.98 115.26 111.16 2krt n ASN 96 Ca 0.02 0.49 -0.11 0.00 0.87 0.00 0.00 54.58 55.86 2krt n ASN 96 Cb 0.41 -4.79 0.03 0.00 -1.02 0.00 0.00 39.78 34.41 2krt n ASN 96 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2krt n GLN 97 N -2.42 0.83 -3.97 3.52 1.13 -1.22 -4.89 117.38 110.35 2krt n GLN 97 Ca -0.21 -1.65 -0.10 0.00 -1.94 0.00 0.00 57.00 53.11 2krt n GLN 97 Cb 0.68 -0.09 -0.12 0.00 0.11 0.00 0.00 30.24 30.83 2krt n GLN 97 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2krt s VAL 98 N -0.94 0.13 -0.04 5.09 0.11 -1.26 -1.27 120.40 122.22 2krt s VAL 98 Ca 0.30 -0.79 -0.00 0.00 -2.93 0.00 0.00 61.98 58.56 2krt s VAL 98 Cb -0.02 -0.25 0.03 0.00 -1.53 0.00 0.00 36.38 34.60 2krt s VAL 98 CO 0.19 -0.41 0.01 -0.47 -3.33 0.00 0.00 175.10 171.09 2krt s TYR 99 N -1.23 0.32 -0.30 1.54 5.04 -0.06 -4.96 117.35 117.71 2krt s TYR 99 Ca -0.13 0.02 -0.24 0.00 -2.44 0.00 0.00 57.07 54.28 2krt s TYR 99 Cb -0.08 -0.49 0.00 0.00 0.35 0.00 0.00 41.96 41.74 2krt s TYR 99 CO -0.01 -0.17 0.83 0.71 -1.34 0.00 0.00 175.55 175.57 2krt s TYR 100 N 1.39 3.21 -0.19 4.97 2.02 -1.26 -0.90 117.35 126.59 2krt s TYR 100 Ca -0.05 0.89 -0.01 0.00 -0.37 0.00 0.00 57.07 57.54 2krt s TYR 100 Cb -0.13 -3.26 0.01 0.00 -0.40 0.00 0.00 41.96 38.18 2krt s TYR 100 CO -0.03 -0.57 -0.13 0.21 -1.57 0.00 0.00 175.55 173.46 2krt s LYS 101 N 3.03 3.17 -0.34 -0.62 2.47 -0.24 -4.96 119.74 122.26 2krt s LYS 101 Ca 0.34 -0.74 -0.20 0.00 -1.56 0.00 0.00 55.97 53.82 2krt s LYS 101 Cb -0.14 -2.76 -0.00 0.00 -1.46 0.00 0.00 37.83 33.47 2krt s LYS 101 CO 0.12 -0.18 0.60 -0.51 0.16 0.00 0.00 175.35 175.54 2krt s LEU 102 N 1.32 4.24 -0.19 5.43 2.01 -1.26 -0.99 118.68 129.24 2krt s LEU 102 Ca 0.04 0.19 -0.10 0.00 0.01 0.00 0.00 54.13 54.27 2krt s LEU 102 Cb -0.14 -2.74 -0.05 0.00 0.01 0.00 0.00 46.19 43.28 2krt s LEU 102 CO -0.08 -0.52 0.15 -0.76 1.01 0.00 0.00 176.35 176.15 2krt s LEU 103 N 2.59 4.22 -0.38 1.79 1.43 -0.32 -4.89 118.68 123.12 2krt s LEU 103 Ca 0.23 0.28 -0.15 0.00 -1.03 0.00 0.00 54.13 53.46 2krt s LEU 103 Cb -0.15 -2.13 0.01 0.00 0.03 0.00 0.00 46.19 43.95 2krt s LEU 103 CO 0.13 0.18 0.31 -1.83 0.23 0.00 0.00 176.35 175.38 2krt s GLU 104 N 0.31 3.21 0.28 1.70 -1.05 -1.26 -1.28 118.70 120.61 2krt s GLU 104 Ca 0.10 -0.80 0.06 0.00 -0.15 0.00 0.00 54.97 54.17 2krt s GLU 104 Cb -0.11 -3.91 -0.06 0.00 -0.44 0.00 0.00 34.13 29.61 2krt s GLU 104 CO -0.01 -0.65 -0.03 0.14 0.95 0.00 0.00 175.26 175.66 2krt s VAL 105 N 1.80 1.49 0.20 1.83 -7.23 -0.88 -5.01 120.40 112.61 2krt s VAL 105 Ca 0.07 -2.09 0.02 0.00 -1.81 0.00 0.00 61.98 58.17 2krt s VAL 105 Cb -0.18 -2.49 -0.01 0.00 0.56 0.00 0.00 36.38 34.26 2krt s VAL 105 CO 0.11 -0.26 0.23 -0.24 -0.31 0.00 0.00 175.10 174.63 2krt n SER 106 N -0.58 -0.62 0.00 4.85 2.88 -1.26 -1.50 113.62 117.39 2krt n SER 106 Ca -0.05 -2.20 0.00 0.00 -1.33 0.00 0.00 58.87 55.29 2krt n SER 106 Cb 0.64 1.26 0.00 0.00 -0.75 0.00 0.00 64.21 65.36 2krt n SER 106 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2krt n GLY 107 N -0.36 0.46 0.16 0.46 0.00 -0.78 -4.95 105.19 100.18 2krt n GLY 107 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 2krt n GLY 107 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2krt h PHE 108 N 0.00 0.29 -4.28 1.61 0.04 -1.64 -3.42 116.94 109.53 2krt h PHE 108 Ca 0.00 -0.12 -0.33 0.00 2.80 0.00 0.00 57.97 60.32 2krt h PHE 108 Cb 0.00 -0.05 -0.08 0.00 2.20 0.00 0.00 35.95 38.02 2krt h PHE 108 CO 0.00 0.81 -0.23 0.15 -0.60 0.00 0.00 178.31 178.44 2krt s LYS 109 N -3.64 1.95 -0.44 1.51 -0.14 -1.26 -4.72 119.74 113.00 2krt s LYS 109 Ca -0.04 -1.85 0.07 0.00 -1.36 0.00 0.00 55.97 52.79 2krt s LYS 109 Cb 0.12 0.43 0.34 0.00 -1.68 0.00 0.00 37.83 37.03 2krt s LYS 109 CO 0.80 -0.80 1.12 -1.13 -0.76 0.00 0.00 175.35 174.59 2krt n SER 110 N -1.57 -1.93 -3.72 2.83 3.41 -1.25 -4.08 113.62 107.30 2krt n SER 110 Ca 0.02 -3.43 -0.31 0.00 -0.26 0.00 0.00 58.87 54.90 2krt n SER 110 Cb 0.61 1.52 -0.07 0.00 -0.26 0.00 0.00 64.21 66.01 2krt n SER 110 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2krt n ASN 111 N 0.19 4.02 0.04 4.04 4.13 0.21 -4.91 115.26 122.98 2krt n ASN 111 Ca 0.06 -3.34 -0.02 0.00 1.68 0.00 0.00 54.58 52.96 2krt n ASN 111 Cb 0.72 -0.83 0.24 0.00 -1.54 0.00 0.00 39.78 38.37 2krt n ASN 111 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 2krt h PRO 112 N 4.90 0.41 0.00 3.52 0.11 -1.94 -3.34 132.00 135.65 2krt h PRO 112 Ca 0.18 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 66.15 2krt h PRO 112 Cb 0.70 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.78 2krt h PRO 112 CO 0.88 0.62 0.00 2.48 -0.21 0.00 0.00 178.00 181.77 2krt n TYR 113 N -4.14 0.00 -0.06 0.65 0.18 -1.26 -4.85 117.16 107.68 2krt n TYR 113 Ca -0.00 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.63 2krt n TYR 113 Cb 0.38 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.28 2krt n TYR 113 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 2krt h LEU 114 N 0.00 0.60 -8.26 -3.48 3.38 -1.93 -3.38 115.31 102.24 2krt h LEU 114 Ca 0.00 -0.54 -0.30 0.00 0.09 0.00 0.00 57.88 57.13 2krt h LEU 114 Cb 0.08 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 2krt h LEU 114 CO 0.00 1.02 0.77 -1.61 0.09 0.00 0.00 178.44 178.71 2krt s GLU 115 N -4.10 2.51 -1.19 1.13 0.41 -1.26 -4.88 118.70 111.32 2krt s GLU 115 Ca -0.13 -0.14 -0.08 0.00 -0.41 0.00 0.00 54.97 54.21 2krt s GLU 115 Cb 0.07 -4.97 0.23 0.00 -1.78 0.00 0.00 34.13 27.67 2krt s GLU 115 CO 0.81 -3.36 1.62 -2.39 -0.49 0.00 0.00 175.26 171.45 2krt n HIS 116 N 14.10 3.18 -3.01 1.61 1.44 -1.26 -4.94 115.22 126.34 2krt n HIS 116 Ca 0.38 -2.89 -0.44 0.00 -2.01 0.00 0.00 57.72 52.76 2krt n HIS 116 Cb 0.47 -1.73 -0.03 0.00 0.12 0.00 0.00 29.99 28.82 2krt n HIS 116 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2krt s HIS 117 N -0.67 3.10 0.00 -1.40 5.04 -1.26 -4.46 115.29 115.63 2krt s HIS 117 Ca 0.36 -1.22 0.00 0.00 -1.54 0.00 0.00 55.06 52.66 2krt s HIS 117 Cb 0.05 -4.17 0.00 0.00 0.04 0.00 0.00 32.58 28.50 2krt s HIS 117 CO 0.03 -1.41 0.00 1.58 -2.34 0.00 0.00 174.74 172.60 2krt n HIS 118 N 6.37 0.00 -3.71 3.88 -0.00 -1.26 -4.92 115.22 115.58 2krt n HIS 118 Ca 0.10 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.69 2krt n HIS 118 Cb 0.47 -1.09 -0.14 0.00 -0.00 0.00 0.00 29.99 29.23 2krt n HIS 118 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2krt s HIS 119 N -1.82 -0.30 -0.01 1.57 5.65 -1.26 -5.02 115.29 114.10 2krt s HIS 119 Ca 0.00 0.74 0.00 0.00 0.25 0.00 0.00 55.06 56.05 2krt s HIS 119 Cb 0.00 -0.04 -0.01 0.00 -1.18 0.00 0.00 32.58 31.36 2krt s HIS 119 CO 0.00 -0.25 -0.01 1.58 -0.65 0.00 0.00 174.74 175.41 2krt n HIS 120 N 4.60 0.00 0.08 3.88 -0.00 -1.26 -4.66 115.22 117.86 2krt n HIS 120 Ca -0.19 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.00 2krt n HIS 120 Cb 0.52 -0.05 0.01 0.00 -0.12 0.00 0.00 29.99 30.34 2krt n HIS 120 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52