#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 4.29 0.36 -0.89 2.01 -1.26 -5.13 118.68 118.06 2krt s LEU 2 Ca 0.00 0.17 0.09 0.00 0.01 0.00 0.00 54.13 54.40 2krt s LEU 2 Cb 0.00 -2.87 -0.07 0.00 0.01 0.00 0.00 46.19 43.26 2krt s LEU 2 CO 0.00 0.09 -0.06 -0.94 1.01 0.00 0.00 176.35 176.45 2krt s SER 3 N -2.99 3.79 -1.49 2.29 1.04 -1.26 -5.04 113.70 110.05 2krt s SER 3 Ca 0.34 -1.24 -0.09 0.00 0.48 0.00 0.00 55.95 55.44 2krt s SER 3 Cb -0.12 -0.37 0.01 0.00 0.10 0.00 0.00 66.02 65.64 2krt s SER 3 CO 0.28 -0.27 2.63 0.00 0.98 0.00 0.00 173.24 176.85 2krt n GLN 4 N -0.85 3.87 -4.33 4.02 6.02 -1.26 -4.70 117.38 120.15 2krt n GLN 4 Ca -0.05 -2.72 -0.21 0.00 -0.01 0.00 0.00 57.00 54.01 2krt n GLN 4 Cb 0.64 -2.82 -0.11 0.00 1.02 0.00 0.00 30.24 28.98 2krt n GLN 4 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2krt s ALA 5 N 1.17 1.98 0.32 -1.58 0.00 -1.26 -5.05 121.76 117.34 2krt s ALA 5 Ca 0.60 -1.50 0.04 0.00 0.00 0.00 0.00 51.96 51.10 2krt s ALA 5 Cb 0.17 -0.16 0.66 0.00 0.00 0.00 0.00 23.12 23.78 2krt s ALA 5 CO -0.07 0.20 1.89 -0.91 0.00 0.00 0.00 175.76 176.87 2krt h ASN 6 N 3.15 0.80 -0.87 0.00 2.35 -2.00 -1.81 115.58 117.20 2krt h ASN 6 Ca -0.41 0.02 0.04 0.00 -0.55 0.00 0.00 56.30 55.40 2krt h ASN 6 Cb 1.21 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 39.38 2krt h ASN 6 CO 0.53 0.47 0.56 1.05 -1.65 0.00 0.00 177.43 178.38 2krt h GLU 7 N 0.88 1.04 -0.51 0.81 4.11 -1.96 -0.04 114.58 118.91 2krt h GLU 7 Ca 0.42 -0.06 -0.09 0.00 0.07 0.00 0.00 59.36 59.69 2krt h GLU 7 Cb 0.42 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2krt h GLU 7 CO -0.18 0.69 -0.03 -0.44 0.07 0.00 0.00 179.01 179.12 2krt h ASP 8 N 1.07 0.91 -0.09 3.06 5.19 -1.61 -1.19 116.42 123.76 2krt h ASP 8 Ca 0.35 -0.32 -0.02 0.00 -0.62 0.00 0.00 57.03 56.42 2krt h ASP 8 Cb 0.03 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 39.29 2krt h ASP 8 CO -0.12 1.01 -0.01 -0.26 -3.12 0.00 0.00 179.24 176.74 2krt h PHE 9 N 0.79 0.19 -0.34 4.55 0.04 -1.22 -3.08 116.94 117.87 2krt h PHE 9 Ca 0.14 -0.04 -0.05 0.00 2.80 0.00 0.00 57.97 60.83 2krt h PHE 9 Cb 0.56 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.65 2krt h PHE 9 CO 0.04 0.46 0.01 1.57 -0.60 0.00 0.00 178.31 179.79 2krt h LYS 10 N -0.14 0.52 -0.64 1.51 2.10 -1.03 -2.78 116.57 116.12 2krt h LYS 10 Ca 0.02 -0.11 0.11 0.00 -2.00 0.00 0.00 60.65 58.67 2krt h LYS 10 Cb 0.39 -0.08 -0.08 0.00 -0.90 0.00 0.00 32.23 31.57 2krt h LYS 10 CO 0.01 0.54 0.23 -0.22 -2.00 0.00 0.00 179.45 178.01 2krt h LYS 11 N 0.50 0.39 -0.73 0.07 3.64 -1.13 0.34 116.57 119.66 2krt h LYS 11 Ca 0.11 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.54 2krt h LYS 11 Cb 0.31 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.98 2krt h LYS 11 CO 0.01 0.26 0.40 0.82 -2.27 0.00 0.00 179.45 178.67 2krt h ILE 12 N 0.40 0.93 -0.02 2.00 2.04 -1.42 -1.05 117.51 120.39 2krt h ILE 12 Ca 0.33 -0.24 -0.14 0.00 1.00 0.00 0.00 64.86 65.81 2krt h ILE 12 Cb 0.44 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 2krt h ILE 12 CO -0.34 0.13 -0.63 0.58 0.00 0.00 0.00 178.15 177.89 2krt h VAL 13 N 0.71 1.44 0.00 1.67 2.07 -1.12 -2.89 116.25 118.12 2krt h VAL 13 Ca 0.34 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.74 2krt h VAL 13 Cb 0.27 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 2krt h VAL 13 CO -0.22 0.61 0.00 0.78 0.02 0.00 0.00 177.57 178.76 2krt h ASN 14 N 0.05 0.00 -0.16 0.57 -0.26 0.36 -3.26 115.58 112.88 2krt h ASN 14 Ca -0.01 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.66 2krt h ASN 14 Cb 1.12 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 38.33 2krt h ASN 14 CO 0.09 0.00 -0.28 0.59 -1.06 0.00 0.00 177.43 176.76 2krt n ASN 15 N -2.74 2.12 -4.56 5.81 3.02 -0.47 -4.97 115.26 113.47 2krt n ASN 15 Ca 0.03 -3.79 -0.25 0.00 -0.03 0.00 0.00 54.58 50.54 2krt n ASN 15 Cb 0.37 -0.57 -0.05 0.00 -0.61 0.00 0.00 39.78 38.92 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 -3.21 3.37 0.06 2.41 1.01 -1.17 -4.74 121.20 118.93 2krt s ILE 16 Ca 0.41 -0.29 -0.08 0.00 0.00 0.00 0.00 60.65 60.69 2krt s ILE 16 Cb 0.38 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.97 2krt s ILE 16 CO -0.03 -0.78 0.36 -0.60 0.00 0.00 0.00 174.94 173.89 2krt s ARG 17 N 7.35 3.69 0.00 2.79 6.06 -1.26 -4.95 118.95 132.63 2krt s ARG 17 Ca 0.74 0.07 0.00 0.00 -2.50 0.00 0.00 55.73 54.04 2krt s ARG 17 Cb -0.08 -3.01 0.00 0.00 0.06 0.00 0.00 34.95 31.92 2krt s ARG 17 CO 0.02 0.58 0.73 1.47 -2.50 0.00 0.00 175.30 175.60 2krt n LEU 18 N 0.88 2.16 0.00 -0.88 -0.00 -1.26 -1.44 117.00 116.46 2krt n LEU 18 Ca -0.08 -1.06 0.00 0.00 -0.00 0.00 0.00 56.01 54.86 2krt n LEU 18 Cb 0.52 -0.38 0.00 0.00 -0.00 0.00 0.00 43.42 43.57 2krt n LEU 18 CO 0.43 0.37 0.00 1.17 -0.00 0.00 0.00 177.39 179.35 2krt n LYS 19 N 0.76 0.00 0.12 1.47 4.81 -0.92 -4.59 118.16 119.81 2krt n LYS 19 Ca 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.57 2krt n LYS 19 Cb 0.33 0.00 0.32 0.00 0.02 0.00 0.00 35.03 35.71 2krt n LYS 19 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2krt h ASP 20 N 0.00 0.00 0.00 3.14 3.58 -1.94 -3.41 116.42 117.79 2krt h ASP 20 Ca 0.00 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2krt h ASP 20 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2krt h ASP 20 CO 0.00 0.01 -0.79 0.41 -2.88 0.00 0.00 179.24 175.99 2krt n THR 21 N -2.41 0.08 -3.72 2.25 -1.04 -0.52 -4.63 114.28 104.29 2krt n THR 21 Ca 0.05 0.03 -0.11 0.00 -2.04 0.00 0.00 64.05 61.98 2krt n THR 21 Cb 0.45 -1.37 -0.06 0.00 -1.82 0.00 0.00 70.33 67.54 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 -2.00 -0.10 -0.25 -1.42 -0.71 -0.73 -1.63 117.98 111.14 2krt s PHE 22 Ca 0.00 -0.17 -0.02 0.00 -1.04 0.00 0.00 56.93 55.71 2krt s PHE 22 Cb 0.00 0.14 0.03 0.00 -1.21 0.00 0.00 43.02 41.97 2krt s PHE 22 CO 0.00 -0.60 -0.05 -0.51 -1.34 0.00 0.00 175.22 172.72 2krt s ASP 23 N -2.54 4.38 -0.16 1.98 1.11 -1.09 -2.16 116.67 118.19 2krt s ASP 23 Ca 0.01 -0.88 -0.16 0.00 0.18 0.00 0.00 52.55 51.70 2krt s ASP 23 Cb 0.02 -1.68 -0.04 0.00 1.07 0.00 0.00 42.92 42.29 2krt s ASP 23 CO -0.09 -0.14 0.39 0.72 1.18 0.00 0.00 175.17 177.24 2krt s PHE 24 N 1.33 3.45 -0.15 4.23 -0.71 -1.26 -0.65 117.98 124.22 2krt s PHE 24 Ca 0.00 0.70 -0.03 0.00 -1.04 0.00 0.00 56.93 56.56 2krt s PHE 24 Cb -0.17 -2.47 -0.02 0.00 -1.21 0.00 0.00 43.02 39.15 2krt s PHE 24 CO -0.04 0.13 -0.05 0.21 -1.34 0.00 0.00 175.22 174.13 2krt s LYS 25 N 0.80 3.61 0.05 1.99 2.20 0.26 -4.87 119.74 123.78 2krt s LYS 25 Ca 0.20 -0.55 -0.21 0.00 -0.36 0.00 0.00 55.97 55.06 2krt s LYS 25 Cb -0.14 -2.87 -0.06 0.00 -1.51 0.00 0.00 37.83 33.24 2krt s LYS 25 CO 0.07 0.22 0.61 -0.51 -0.36 0.00 0.00 175.35 175.38 2krt s LEU 26 N 0.41 4.48 0.12 5.43 2.01 -1.26 -1.93 118.68 127.95 2krt s LEU 26 Ca -0.05 1.26 -0.18 0.00 0.01 0.00 0.00 54.13 55.17 2krt s LEU 26 Cb -0.14 -2.96 -0.04 0.00 0.01 0.00 0.00 46.19 43.06 2krt s LEU 26 CO 0.03 0.18 1.73 0.00 1.01 0.00 0.00 176.35 179.30 2krt h ALA 27 N 5.03 0.38 0.00 4.21 0.00 -1.86 -1.03 119.26 125.99 2krt h ALA 27 Ca -0.47 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2krt h ALA 27 Cb 1.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2krt h ALA 27 CO 0.67 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.82 2krt h ALA 28 N 1.03 1.00 -2.09 0.00 0.00 -1.94 -3.36 119.26 113.90 2krt h ALA 28 Ca 0.10 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.50 2krt h ALA 28 Cb 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.45 2krt h ALA 28 CO -0.02 0.00 -1.02 1.19 0.00 0.00 0.00 179.25 179.40 2krt n PHE 29 N -2.47 1.40 0.80 0.00 3.72 -1.04 -4.91 117.46 114.96 2krt n PHE 29 Ca 0.05 -3.87 0.13 0.00 -0.05 0.00 0.00 57.45 53.71 2krt n PHE 29 Cb 0.44 -0.44 0.51 0.00 -0.94 0.00 0.00 39.48 39.05 2krt n PHE 29 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2krt n PRO 30 N 0.15 0.12 -0.43 -1.08 -0.04 -0.42 -2.97 135.00 130.34 2krt n PRO 30 Ca 0.27 0.12 0.08 0.00 -0.04 0.00 0.00 63.50 63.92 2krt n PRO 30 Cb 0.57 -1.65 0.26 0.00 -0.04 0.00 0.00 33.50 32.65 2krt n PRO 30 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2krt n ASN 31 N -1.86 3.92 -4.72 3.54 5.03 -1.26 -4.93 115.26 114.99 2krt n ASN 31 Ca 0.06 -2.49 -0.29 0.00 0.87 0.00 0.00 54.58 52.73 2krt n ASN 31 Cb 0.37 -0.46 -0.08 0.00 -1.02 0.00 0.00 39.78 38.59 2krt n ASN 31 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2krt s GLN 32 N -1.89 2.12 0.16 3.52 -1.52 -1.16 -5.16 119.66 115.72 2krt s GLN 32 Ca 0.39 -2.17 0.10 0.00 -1.95 0.00 0.00 55.36 51.73 2krt s GLN 32 Cb 0.27 -1.69 -0.04 0.00 -0.22 0.00 0.00 33.01 31.33 2krt s GLN 32 CO 0.17 -0.23 -0.22 -0.80 -0.25 0.00 0.00 175.29 173.96 2krt s ASN 33 N -3.85 3.03 0.00 5.90 0.01 -1.26 -4.94 114.94 113.82 2krt s ASN 33 Ca 0.25 -0.81 0.00 0.00 -0.71 0.00 0.00 52.86 51.59 2krt s ASN 33 Cb 0.05 -0.20 0.00 0.00 0.41 0.00 0.00 41.25 41.51 2krt s ASN 33 CO 0.13 0.08 1.09 0.00 -1.51 0.00 0.00 177.10 176.89 2krt n TYR 34 N 0.56 0.00 -0.02 2.20 0.18 -1.26 -2.64 117.16 116.18 2krt n TYR 34 Ca -0.15 -0.55 0.00 0.00 1.88 0.00 0.00 57.90 59.08 2krt n TYR 34 Cb 0.55 -0.36 0.00 0.00 -0.38 0.00 0.00 39.34 39.15 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 1.51 0.00 -0.29 9.48 2.03 -1.26 -3.58 116.55 124.45 2krt n ASP 35 Ca 0.00 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.32 2krt n ASP 35 Cb 0.30 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.71 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 0.00 0.19 -5.25 -0.67 6.02 -1.08 -4.56 117.38 112.03 2krt n GLN 36 Ca 0.00 -0.95 -0.30 0.00 -0.01 0.00 0.00 57.00 55.74 2krt n GLN 36 Cb 0.00 -0.58 -0.16 0.00 1.02 0.00 0.00 30.24 30.52 2krt n GLN 36 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2krt s LEU 37 N -0.22 2.05 0.09 1.08 1.98 -1.15 -4.96 118.68 117.55 2krt s LEU 37 Ca 0.02 -0.46 -0.31 0.00 -2.89 0.00 0.00 54.13 50.49 2krt s LEU 37 Cb 0.02 -1.30 -0.09 0.00 0.66 0.00 0.00 46.19 45.48 2krt s LEU 37 CO 0.00 0.29 1.79 -0.76 -1.89 0.00 0.00 176.35 175.78 2krt s LEU 38 N -0.49 4.39 0.36 -0.68 2.01 -1.26 -4.39 118.68 118.62 2krt s LEU 38 Ca 0.07 2.65 0.12 0.00 0.01 0.00 0.00 54.13 56.97 2krt s LEU 38 Cb -0.10 -3.56 0.91 0.00 0.01 0.00 0.00 46.19 43.45 2krt s LEU 38 CO 0.00 -0.98 1.81 1.55 1.01 0.00 0.00 176.35 179.74 2krt h PRO 39 N 8.85 0.57 -0.43 1.29 0.13 -1.97 -0.60 132.00 139.85 2krt h PRO 39 Ca -0.45 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 2krt h PRO 39 Cb 1.21 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 2krt h PRO 39 CO 0.94 0.38 0.20 1.03 -0.23 0.00 0.00 178.00 180.33 2krt h SER 40 N 0.59 0.56 0.06 1.44 0.87 -1.99 -1.58 113.55 113.50 2krt h SER 40 Ca 0.53 -0.13 -0.10 0.00 -1.23 0.00 0.00 61.79 60.86 2krt h SER 40 Cb 1.06 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.87 2krt h SER 40 CO -0.28 0.53 -0.33 1.56 -0.53 0.00 0.00 176.83 177.77 2krt h GLN 41 N 0.55 0.39 -0.36 2.24 1.08 -1.54 -2.78 115.11 114.69 2krt h GLN 41 Ca 0.15 -0.17 0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2krt h GLN 41 Cb 0.12 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.52 2krt h GLN 41 CO -0.02 0.68 0.22 0.82 -0.95 0.00 0.00 178.83 179.58 2krt h ILE 42 N 0.34 1.05 -0.10 2.54 2.04 -0.93 -2.53 117.51 119.92 2krt h ILE 42 Ca 0.04 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 2krt h ILE 42 Cb 0.75 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 2krt h ILE 42 CO 0.06 0.08 0.06 0.22 0.00 0.00 0.00 178.15 178.57 2krt h TYR 43 N 0.45 0.13 0.00 1.37 3.20 -1.07 -2.47 116.97 118.58 2krt h TYR 43 Ca 0.14 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2krt h TYR 43 Cb -0.01 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.22 2krt h TYR 43 CO -0.07 0.09 0.00 0.87 -1.64 0.00 0.00 178.16 177.41 2krt h LYS 44 N 0.14 0.00 0.00 1.82 1.79 -1.18 -1.79 116.57 117.34 2krt h LYS 44 Ca 0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2krt h LYS 44 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2krt h LYS 44 CO -0.01 0.00 0.00 0.09 -1.08 0.00 0.00 179.45 178.45 2krt n ASN 45 N -2.88 0.00 0.02 0.86 3.02 -0.93 -3.74 115.26 111.62 2krt n ASN 45 Ca -0.02 -0.07 0.07 0.00 -0.03 0.00 0.00 54.58 54.53 2krt n ASN 45 Cb 0.13 -0.27 0.49 0.00 -0.61 0.00 0.00 39.78 39.51 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 0.39 0.00 3.10 -0.00 -1.53 -0.17 116.97 118.77 2krt h TYR 46 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.74 2krt h TYR 46 Cb 0.21 -0.13 0.00 0.00 -0.00 0.00 0.00 36.73 36.81 2krt h TYR 46 CO 0.00 0.23 -0.33 -0.92 -0.00 0.00 0.00 178.16 177.13 2krt h TYR 47 N 0.41 0.00 0.00 0.10 3.20 -1.83 -3.39 116.97 115.45 2krt h TYR 47 Ca 0.16 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.03 2krt h TYR 47 Cb 0.14 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.41 2krt h TYR 47 CO -0.00 0.00 -0.62 1.04 -1.64 0.00 0.00 178.16 176.94 2krt n GLN 48 N -2.28 0.43 0.00 1.82 6.02 -0.21 -5.12 117.38 118.05 2krt n GLN 48 Ca 0.04 0.38 0.00 0.00 -0.01 0.00 0.00 57.00 57.41 2krt n GLN 48 Cb 0.45 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.22 2krt n GLN 48 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2krt n GLY 49 N 1.57 4.18 2.87 1.08 0.00 -0.42 -5.02 105.19 109.45 2krt n GLY 49 Ca -0.09 -0.80 -0.25 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.79 0.77 -0.13 -0.61 1.01 -1.26 -2.90 121.20 116.28 2krt s ILE 50 Ca 0.00 -0.14 -0.13 0.00 0.00 0.00 0.00 60.65 60.38 2krt s ILE 50 Cb 0.00 -0.83 -0.05 0.00 0.01 0.00 0.00 42.46 41.60 2krt s ILE 50 CO 0.00 0.32 0.28 -1.61 0.00 0.00 0.00 174.94 173.93 2krt s GLU 51 N 1.67 4.09 -0.31 2.79 2.02 -0.81 -4.86 118.70 123.28 2krt s GLU 51 Ca 0.02 0.10 -0.07 0.00 0.02 0.00 0.00 54.97 55.04 2krt s GLU 51 Cb -0.13 -3.36 0.02 0.00 0.10 0.00 0.00 34.13 30.76 2krt s GLU 51 CO -0.06 0.39 0.09 0.42 0.02 0.00 0.00 175.26 176.12 2krt s ILE 52 N 0.02 3.96 0.12 -1.63 -1.09 -1.26 -0.58 121.20 120.74 2krt s ILE 52 Ca 0.17 -0.81 -0.29 0.00 -2.23 0.00 0.00 60.65 57.49 2krt s ILE 52 Cb -0.13 -3.10 -0.06 0.00 -1.58 0.00 0.00 42.46 37.59 2krt s ILE 52 CO 0.05 -0.00 0.93 -1.10 -1.23 0.00 0.00 174.94 173.59 2krt s GLN 53 N 1.48 4.69 0.59 2.79 -1.52 0.18 -4.92 119.66 122.95 2krt s GLN 53 Ca 0.01 1.41 -0.16 0.00 -1.95 0.00 0.00 55.36 54.67 2krt s GLN 53 Cb -0.18 -3.36 -0.04 0.00 -0.22 0.00 0.00 33.01 29.21 2krt s GLN 53 CO 0.03 0.27 1.06 1.14 -0.25 0.00 0.00 175.29 177.54 2krt s GLN 54 N -0.19 3.33 0.39 2.91 1.03 -1.26 -2.66 119.66 123.21 2krt s GLN 54 Ca 0.45 1.24 0.00 0.00 0.04 0.00 0.00 55.36 57.09 2krt s GLN 54 Cb -0.23 -2.03 0.00 0.00 0.03 0.00 0.00 33.01 30.78 2krt s GLN 54 CO 0.29 -0.81 0.00 0.72 -2.54 0.00 0.00 175.29 172.95 2krt n HIS 55 N -1.95 -4.36 -3.47 9.60 8.25 -1.23 -4.85 115.22 117.22 2krt n HIS 55 Ca 0.09 1.35 -0.42 0.00 -0.26 0.00 0.00 57.72 58.48 2krt n HIS 55 Cb 0.53 3.45 -0.10 0.00 1.12 0.00 0.00 29.99 34.98 2krt n HIS 55 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2krt s LYS 56 N -1.98 3.21 -0.66 -0.41 1.02 -0.64 -4.70 119.74 115.58 2krt s LYS 56 Ca 0.00 -0.82 0.00 0.00 0.02 0.00 0.00 55.97 55.17 2krt s LYS 56 Cb 0.00 -3.90 0.00 0.00 -0.52 0.00 0.00 37.83 33.41 2krt s LYS 56 CO 0.00 -0.63 0.00 0.66 -0.92 0.00 0.00 175.35 174.46 2krt n TYR 57 N 5.20 -1.55 -1.56 3.18 4.02 -1.26 -4.80 117.16 120.39 2krt n TYR 57 Ca -0.11 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.43 2krt n TYR 57 Cb 0.48 -2.06 -0.07 0.00 -0.02 0.00 0.00 39.34 37.68 2krt n TYR 57 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2krt n GLN 58 N -2.58 1.37 0.00 -0.72 1.13 -1.26 -2.45 117.38 112.87 2krt n GLN 58 Ca -0.09 -2.07 0.00 0.00 -1.94 0.00 0.00 57.00 52.90 2krt n GLN 58 Cb 0.54 -3.33 0.00 0.00 0.11 0.00 0.00 30.24 27.56 2krt n GLN 58 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2krt n ASN 59 N 11.52 0.00 -0.04 1.08 4.05 -1.26 -4.91 115.26 125.69 2krt n ASN 59 Ca 0.47 0.00 0.02 0.00 0.45 0.00 0.00 54.58 55.52 2krt n ASN 59 Cb 0.44 0.00 -0.14 0.00 1.23 0.00 0.00 39.78 41.30 2krt n ASN 59 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 2krt n GLU 60 N -0.75 0.79 -3.92 1.20 4.07 -1.02 -4.87 120.64 116.13 2krt n GLU 60 Ca 0.00 -0.11 -0.11 0.00 -0.06 0.00 0.00 57.16 56.88 2krt n GLU 60 Cb 0.00 -1.45 -0.13 0.00 -0.06 0.00 0.00 31.44 29.80 2krt n GLU 60 CO 0.00 0.00 0.00 -0.48 -0.06 0.00 0.00 177.13 176.59 2krt s LEU 61 N -4.69 2.07 -0.21 4.31 2.34 -1.21 -1.70 118.68 119.58 2krt s LEU 61 Ca -0.08 -0.16 -0.07 0.00 0.06 0.00 0.00 54.13 53.89 2krt s LEU 61 Cb 0.09 0.01 -0.03 0.00 -0.56 0.00 0.00 46.19 45.70 2krt s LEU 61 CO 0.76 -0.08 0.06 -0.62 -1.06 0.00 0.00 176.35 175.40 2krt s ASP 62 N -0.45 5.31 -0.17 1.48 2.15 -0.52 -4.24 116.67 120.22 2krt s ASP 62 Ca -0.05 -0.08 -0.07 0.00 0.43 0.00 0.00 52.55 52.78 2krt s ASP 62 Cb -0.03 -1.93 -0.04 0.00 -0.30 0.00 0.00 42.92 40.62 2krt s ASP 62 CO -0.00 0.07 0.06 -0.63 -0.17 0.00 0.00 175.17 174.49 2krt s ILE 63 N 1.00 4.77 -0.07 4.11 1.01 -1.26 -1.81 121.20 128.94 2krt s ILE 63 Ca 0.04 -0.04 -0.22 0.00 0.00 0.00 0.00 60.65 60.43 2krt s ILE 63 Cb -0.14 -3.14 0.05 0.00 0.01 0.00 0.00 42.46 39.24 2krt s ILE 63 CO 0.03 0.47 0.50 -1.59 0.00 0.00 0.00 174.94 174.35 2krt s LYS 64 N 0.26 0.80 -0.01 2.79 -2.85 -1.25 -4.91 119.74 114.57 2krt s LYS 64 Ca 0.04 0.20 -0.21 0.00 -1.00 0.00 0.00 55.97 55.00 2krt s LYS 64 Cb -0.12 0.37 -0.05 0.00 -2.06 0.00 0.00 37.83 35.97 2krt s LYS 64 CO 0.00 -0.21 0.61 0.42 0.10 0.00 0.00 175.35 176.28 2krt s ILE 65 N -0.88 4.91 -0.14 3.79 1.01 -1.26 -1.82 121.20 126.81 2krt s ILE 65 Ca -0.09 1.28 -0.17 0.00 0.00 0.00 0.00 60.65 61.67 2krt s ILE 65 Cb -0.03 -3.95 -0.14 0.00 0.01 0.00 0.00 42.46 38.34 2krt s ILE 65 CO 0.05 0.40 0.31 0.40 0.00 0.00 0.00 174.94 176.11 2krt h ILE 66 N 4.20 0.88 -2.43 2.92 2.04 -0.88 -3.48 117.51 120.76 2krt h ILE 66 Ca -0.45 -1.77 0.21 0.00 1.00 0.00 0.00 64.86 63.86 2krt h ILE 66 Cb 1.20 1.77 -0.04 0.00 -0.74 0.00 0.00 36.82 39.01 2krt h ILE 66 CO 0.70 0.30 0.68 -0.46 0.00 0.00 0.00 178.15 179.37 2krt n ASN 67 N -4.62 -1.57 -4.48 1.72 6.94 -1.26 -5.04 115.26 106.95 2krt n ASN 67 Ca -0.12 -1.71 -0.33 0.00 -0.02 0.00 0.00 54.58 52.40 2krt n ASN 67 Cb 0.37 2.52 -0.13 0.00 -2.36 0.00 0.00 39.78 40.18 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 -2.09 2.75 0.12 -2.53 0.08 -1.26 -2.96 117.98 112.08 2krt s PHE 68 Ca 0.25 -0.18 -0.04 0.00 0.12 0.00 0.00 56.93 57.08 2krt s PHE 68 Cb -0.02 -1.66 -0.03 0.00 -0.57 0.00 0.00 43.02 40.73 2krt s PHE 68 CO 0.04 0.16 0.10 -0.48 -0.10 0.00 0.00 175.22 174.94 2krt s LEU 69 N -0.62 1.71 0.68 -0.37 2.34 -1.10 -5.00 118.68 116.32 2krt s LEU 69 Ca 0.09 -1.03 -0.07 0.00 0.06 0.00 0.00 54.13 53.18 2krt s LEU 69 Cb -0.11 0.55 0.05 0.00 -0.56 0.00 0.00 46.19 46.11 2krt s LEU 69 CO 0.01 -0.74 1.00 -0.31 -1.06 0.00 0.00 176.35 175.26 2krt s TYR 70 N -3.98 3.03 0.00 3.48 2.02 -1.26 -0.28 117.35 120.35 2krt s TYR 70 Ca 0.17 0.56 -0.00 0.00 -0.37 0.00 0.00 57.07 57.42 2krt s TYR 70 Cb 0.06 -3.09 -0.02 0.00 -0.40 0.00 0.00 41.96 38.51 2krt s TYR 70 CO -0.02 -1.27 1.32 -0.35 -1.57 0.00 0.00 175.55 173.65 2krt n PRO 71 N -2.87 0.66 -3.27 -1.71 -0.04 -1.26 -4.70 135.00 121.81 2krt n PRO 71 Ca 0.07 -0.07 -0.21 0.00 -0.04 0.00 0.00 63.50 63.26 2krt n PRO 71 Cb 0.60 -1.27 0.02 0.00 -0.04 0.00 0.00 33.50 32.80 2krt n PRO 71 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2krt n ASP 72 N 1.81 -6.56 0.00 3.54 8.00 -1.26 -4.95 116.55 117.14 2krt n ASP 72 Ca 0.03 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2krt n ASP 72 Cb 0.32 -3.44 0.00 0.00 -0.02 0.00 0.00 41.12 37.99 2krt n ASP 72 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2krt n GLY 73 N -0.68 0.50 3.39 0.44 0.00 -1.26 -5.17 105.19 102.41 2krt n GLY 73 Ca -0.04 0.48 -0.32 0.00 0.00 0.00 0.00 46.02 46.14 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 2.00 3.51 0.18 1.61 -1.08 -1.26 -5.04 116.67 116.59 2krt s ASP 74 Ca 0.00 -0.34 -0.10 0.00 -0.52 0.00 0.00 52.55 51.59 2krt s ASP 74 Cb 0.00 -0.58 0.07 0.00 -1.46 0.00 0.00 42.92 40.95 2krt s ASP 74 CO 0.00 0.33 1.66 2.19 0.52 0.00 0.00 175.17 179.87 2krt h PHE 75 N 5.42 1.10 -0.39 -5.34 -0.00 -2.02 -1.83 116.94 113.88 2krt h PHE 75 Ca -0.45 -0.16 -0.11 0.00 -0.00 0.00 0.00 57.97 57.25 2krt h PHE 75 Cb 1.14 -0.30 -0.01 0.00 -0.00 0.00 0.00 35.95 36.78 2krt h PHE 75 CO 0.44 0.95 -0.19 0.78 -0.00 0.00 0.00 178.31 180.29 2krt h GLY 76 N 0.92 0.88 0.89 6.09 0.00 -1.99 -1.71 103.07 108.16 2krt h GLY 76 Ca 0.18 -0.79 0.05 0.00 0.00 0.00 0.00 47.33 46.77 2krt h GLY 76 CO 0.02 0.72 0.61 1.76 0.00 0.00 0.00 176.54 179.65 2krt h SER 77 N 0.61 0.98 -0.73 0.19 0.02 -1.97 0.18 113.55 112.84 2krt h SER 77 Ca 0.09 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 2krt h SER 77 Cb 0.74 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 2krt h SER 77 CO 0.06 0.65 0.21 0.00 -1.14 0.00 0.00 176.83 176.61 2krt h ALA 78 N 1.47 0.95 -0.13 3.77 0.00 -1.07 -0.81 119.26 123.44 2krt h ALA 78 Ca 0.39 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 2krt h ALA 78 Cb 0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2krt h ALA 78 CO -0.13 0.65 -0.40 -0.97 0.00 0.00 0.00 179.25 178.39 2krt h ASN 79 N 1.08 0.31 0.57 0.00 -1.24 -0.59 0.20 115.58 115.91 2krt h ASN 79 Ca 0.23 -0.13 -0.03 0.00 0.71 0.00 0.00 56.30 57.09 2krt h ASN 79 Cb 0.33 -0.08 0.01 0.00 0.73 0.00 0.00 38.32 39.30 2krt h ASN 79 CO -0.00 0.68 -0.27 0.50 -1.29 0.00 0.00 177.43 177.04 2krt h LYS 80 N 0.24 -0.74 0.00 6.67 3.64 -0.22 -3.16 116.57 123.00 2krt h LYS 80 Ca 0.02 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2krt h LYS 80 Cb 0.82 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 2krt h LYS 80 CO 0.07 -0.45 -0.19 -2.95 -2.27 0.00 0.00 179.45 173.65 2krt h ASN 81 N -0.88 0.00 -4.65 4.20 7.08 -1.17 -0.86 115.58 119.29 2krt h ASN 81 Ca -0.08 -0.04 -0.31 0.00 -3.08 0.00 0.00 56.30 52.79 2krt h ASN 81 Cb 0.63 0.00 0.10 0.00 -2.08 0.00 0.00 38.32 36.97 2krt h ASN 81 CO 0.13 0.02 -0.52 0.61 -2.08 0.00 0.00 177.43 175.59 2krt n GLY 82 N 1.26 -0.21 3.34 9.14 0.00 0.68 -4.81 105.19 114.60 2krt n GLY 82 Ca 0.04 0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.23 2.17 0.06 2.61 -4.23 -1.16 -3.16 115.64 108.70 2krt s THR 83 Ca 0.44 -1.24 0.03 0.00 -1.18 0.00 0.00 61.69 59.74 2krt s THR 83 Cb -0.19 -1.81 -0.03 0.00 1.34 0.00 0.00 72.50 71.81 2krt s THR 83 CO 0.54 0.46 -0.10 -0.76 -0.54 0.00 0.00 174.62 174.23 2krt s LEU 84 N -0.97 2.28 -0.31 4.79 1.43 -1.17 -4.78 118.68 119.95 2krt s LEU 84 Ca 0.11 -0.61 -0.20 0.00 -1.03 0.00 0.00 54.13 52.40 2krt s LEU 84 Cb -0.10 -0.27 -0.01 0.00 0.03 0.00 0.00 46.19 45.85 2krt s LEU 84 CO 0.01 -0.18 0.63 -0.54 0.23 0.00 0.00 176.35 176.50 2krt s LYS 85 N -1.81 3.88 -0.37 1.70 -0.14 0.61 -2.97 119.74 120.64 2krt s LYS 85 Ca -0.06 0.28 -0.24 0.00 -1.36 0.00 0.00 55.97 54.59 2krt s LYS 85 Cb -0.09 -3.74 0.01 0.00 -1.68 0.00 0.00 37.83 32.34 2krt s LYS 85 CO 0.01 -0.59 0.82 -0.51 -0.76 0.00 0.00 175.35 174.31 2krt s LEU 86 N 2.62 4.10 -0.66 3.17 2.01 0.40 -2.71 118.68 127.61 2krt s LEU 86 Ca 0.25 0.39 -0.24 0.00 0.01 0.00 0.00 54.13 54.54 2krt s LEU 86 Cb -0.15 -3.08 0.05 0.00 0.01 0.00 0.00 46.19 43.03 2krt s LEU 86 CO 0.12 -0.76 1.06 -0.44 1.01 0.00 0.00 176.35 177.34 2krt s SER 87 N 1.86 6.21 -0.21 2.29 0.01 -1.16 -2.51 113.70 120.19 2krt s SER 87 Ca 0.33 -0.69 -0.10 0.00 1.31 0.00 0.00 55.95 56.80 2krt s SER 87 Cb -0.13 -2.47 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 2krt s SER 87 CO 0.17 -1.53 0.13 -0.76 0.41 0.00 0.00 173.24 171.67 2krt s LEU 88 N 4.57 4.13 -0.51 2.44 2.01 -0.49 -0.11 118.68 130.73 2krt s LEU 88 Ca 0.28 0.18 -0.17 0.00 0.01 0.00 0.00 54.13 54.43 2krt s LEU 88 Cb -0.13 -2.08 0.08 0.00 0.01 0.00 0.00 46.19 44.07 2krt s LEU 88 CO 0.14 0.15 0.51 0.00 1.01 0.00 0.00 176.35 178.15 2krt s MET 89 N 0.55 3.02 -0.50 1.70 0.23 -0.76 -1.21 119.30 122.34 2krt s MET 89 Ca 0.07 -1.29 -0.24 0.00 -1.03 0.00 0.00 55.69 53.20 2krt s MET 89 Cb -0.12 -4.17 0.03 0.00 -1.53 0.00 0.00 34.83 29.05 2krt s MET 89 CO -0.00 -1.19 0.90 -0.51 -2.03 0.00 0.00 175.02 172.20 2krt s LEU 90 N 2.00 4.09 -0.65 0.18 2.01 0.61 -3.93 118.68 123.00 2krt s LEU 90 Ca 0.07 -0.12 -0.26 0.00 0.01 0.00 0.00 54.13 53.83 2krt s LEU 90 Cb -0.24 -3.00 0.04 0.00 0.01 0.00 0.00 46.19 43.00 2krt s LEU 90 CO 0.07 -1.10 1.15 -0.89 1.01 0.00 0.00 176.35 176.60 2krt s THR 91 N 3.74 4.01 0.34 5.49 2.01 -0.75 -0.97 115.64 129.51 2krt s THR 91 Ca 0.33 0.41 -0.29 0.00 0.31 0.00 0.00 61.69 62.46 2krt s THR 91 Cb -0.11 -4.77 -0.11 0.00 0.01 0.00 0.00 72.50 67.52 2krt s THR 91 CO 0.23 -1.53 1.50 -0.62 -0.69 0.00 0.00 174.62 173.51 2krt s ASP 92 N 3.36 6.41 -0.06 3.53 -1.08 -0.23 -1.44 116.67 127.16 2krt s ASP 92 Ca 0.35 2.96 0.14 0.00 -0.52 0.00 0.00 52.55 55.47 2krt s ASP 92 Cb -0.10 -2.65 -0.23 0.00 -1.46 0.00 0.00 42.92 38.48 2krt s ASP 92 CO 0.18 -0.84 0.57 0.29 0.52 0.00 0.00 175.17 175.88 2krt n LYS 93 N 1.14 0.64 -0.03 4.34 4.76 -0.69 -2.02 118.16 126.31 2krt n LYS 93 Ca 0.03 0.23 -0.14 0.00 -2.87 0.00 0.00 58.31 55.57 2krt n LYS 93 Cb 0.39 -1.74 -0.14 0.00 -1.84 0.00 0.00 35.03 31.70 2krt n LYS 93 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2krt n LYS 94 N -2.97 0.68 -0.01 1.97 2.85 -1.26 -4.27 118.16 115.15 2krt n LYS 94 Ca -0.19 0.25 0.11 0.00 -1.05 0.00 0.00 58.31 57.43 2krt n LYS 94 Cb 1.05 -1.73 -0.16 0.00 -0.65 0.00 0.00 35.03 33.55 2krt n LYS 94 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2krt n ASN 95 N -3.18 0.17 -1.76 -5.58 3.02 -1.26 -5.00 115.26 101.67 2krt n ASN 95 Ca -0.25 -0.13 -0.18 0.00 -0.03 0.00 0.00 54.58 53.98 2krt n ASN 95 Cb 1.06 1.86 -0.04 0.00 -0.61 0.00 0.00 39.78 42.04 2krt n ASN 95 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2krt n ASN 96 N -2.15 -5.26 -4.64 6.41 3.02 -0.85 -5.00 115.26 106.79 2krt n ASN 96 Ca -0.03 0.21 -0.32 0.00 -0.03 0.00 0.00 54.58 54.41 2krt n ASN 96 Cb 0.53 -4.35 -0.10 0.00 -0.61 0.00 0.00 39.78 35.26 2krt n ASN 96 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2krt s GLN 97 N -4.27 2.62 -0.35 3.52 -1.52 -1.25 -4.79 119.66 113.62 2krt s GLN 97 Ca 0.00 -0.70 -0.15 0.00 -1.95 0.00 0.00 55.36 52.56 2krt s GLN 97 Cb 0.00 -2.56 -0.01 0.00 -0.22 0.00 0.00 33.01 30.22 2krt s GLN 97 CO 0.00 0.60 0.35 0.54 -0.25 0.00 0.00 175.29 176.53 2krt s VAL 98 N -1.07 5.18 -0.14 1.09 0.11 -1.26 -1.06 120.40 123.25 2krt s VAL 98 Ca 0.19 -0.04 -0.05 0.00 -2.93 0.00 0.00 61.98 59.16 2krt s VAL 98 Cb -0.11 -3.83 -0.04 0.00 -1.53 0.00 0.00 36.38 30.87 2krt s VAL 98 CO 0.10 -0.11 0.03 -0.47 -3.33 0.00 0.00 175.10 171.32 2krt s TYR 99 N 1.98 3.21 -0.13 1.54 5.04 -0.14 -4.87 117.35 123.98 2krt s TYR 99 Ca 0.11 0.09 -0.17 0.00 -2.44 0.00 0.00 57.07 54.66 2krt s TYR 99 Cb -0.17 -1.94 -0.04 0.00 0.35 0.00 0.00 41.96 40.16 2krt s TYR 99 CO 0.12 0.29 0.42 0.71 -1.34 0.00 0.00 175.55 175.74 2krt s TYR 100 N -0.21 3.50 -0.05 4.97 2.02 -1.26 -0.28 117.35 126.04 2krt s TYR 100 Ca 0.06 0.80 0.02 0.00 -0.37 0.00 0.00 57.07 57.58 2krt s TYR 100 Cb -0.12 -2.49 0.02 0.00 -0.40 0.00 0.00 41.96 38.96 2krt s TYR 100 CO 0.02 0.19 -0.08 0.21 -1.57 0.00 0.00 175.55 174.32 2krt s LYS 101 N 0.57 1.19 -0.20 -0.62 2.47 -0.35 -5.00 119.74 117.80 2krt s LYS 101 Ca 0.23 -0.25 -0.06 0.00 -1.56 0.00 0.00 55.97 54.33 2krt s LYS 101 Cb -0.14 -1.06 -0.03 0.00 -1.46 0.00 0.00 37.83 35.13 2krt s LYS 101 CO 0.08 -0.01 0.03 -0.51 0.16 0.00 0.00 175.35 175.11 2krt s LEU 102 N 0.70 3.49 0.11 5.43 1.43 -1.26 -1.39 118.68 127.19 2krt s LEU 102 Ca -0.12 -0.09 0.08 0.00 -1.03 0.00 0.00 54.13 52.97 2krt s LEU 102 Cb -0.14 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 2krt s LEU 102 CO 0.02 0.10 -0.21 -0.76 0.23 0.00 0.00 176.35 175.72 2krt s LEU 103 N 0.81 2.31 -0.21 1.79 1.02 -1.04 -4.93 118.68 118.42 2krt s LEU 103 Ca 0.02 -0.70 -0.03 0.00 0.02 0.00 0.00 54.13 53.44 2krt s LEU 103 Cb -0.14 -0.91 -0.01 0.00 0.02 0.00 0.00 46.19 45.16 2krt s LEU 103 CO 0.02 0.06 -0.06 -0.70 0.02 0.00 0.00 176.35 175.69 2krt s GLU 104 N -1.96 3.35 0.17 1.70 2.12 -1.26 -0.46 118.70 122.36 2krt s GLU 104 Ca 0.07 -0.64 0.08 0.00 0.36 0.00 0.00 54.97 54.84 2krt s GLU 104 Cb -0.10 -2.95 -0.04 0.00 0.26 0.00 0.00 34.13 31.30 2krt s GLU 104 CO 0.04 -0.17 -0.18 0.14 -0.54 0.00 0.00 175.26 174.56 2krt s VAL 105 N 1.38 1.82 0.03 3.70 -7.23 -1.16 -4.99 120.40 113.94 2krt s VAL 105 Ca 0.05 -1.95 0.07 0.00 -1.81 0.00 0.00 61.98 58.33 2krt s VAL 105 Cb -0.14 -1.87 -0.03 0.00 0.56 0.00 0.00 36.38 34.90 2krt s VAL 105 CO -0.04 -0.35 -0.18 -0.44 -0.31 0.00 0.00 175.10 173.79 2krt s SER 106 N -2.74 3.82 0.00 4.85 0.01 -1.26 -3.06 113.70 115.31 2krt s SER 106 Ca 0.17 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.03 2krt s SER 106 Cb -0.05 -0.64 0.00 0.00 0.21 0.00 0.00 66.02 65.54 2krt s SER 106 CO 0.07 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.60 2krt n GLY 107 N 1.66 0.89 0.26 3.44 0.00 -1.19 -5.04 105.19 105.21 2krt n GLY 107 Ca -0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.57 -2.72 1.61 0.04 -1.65 -3.36 116.94 110.30 2krt h PHE 108 Ca 0.00 0.04 0.09 0.00 2.80 0.00 0.00 57.97 60.90 2krt h PHE 108 Cb 0.00 0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.43 2krt h PHE 108 CO 0.00 -0.30 0.45 0.21 -0.60 0.00 0.00 178.31 178.08 2krt s LYS 109 N -6.11 1.68 -0.23 1.51 2.47 -1.26 -2.94 119.74 114.86 2krt s LYS 109 Ca -0.15 -1.08 -0.07 0.00 -1.56 0.00 0.00 55.97 53.12 2krt s LYS 109 Cb 0.13 0.48 0.11 0.00 -1.46 0.00 0.00 37.83 37.09 2krt s LYS 109 CO 0.69 -0.79 0.47 -1.54 0.16 0.00 0.00 175.35 174.34 2krt s SER 110 N -3.25 -0.42 -0.52 1.43 1.04 -1.26 -3.66 113.70 107.06 2krt s SER 110 Ca 0.19 0.99 0.06 0.00 0.48 0.00 0.00 55.95 57.68 2krt s SER 110 Cb -0.04 1.55 0.23 0.00 0.10 0.00 0.00 66.02 67.86 2krt s SER 110 CO 0.08 -0.24 0.57 0.59 0.98 0.00 0.00 173.24 175.21 2krt n ASN 111 N 5.40 1.62 -0.14 7.02 5.03 -0.33 -5.00 115.26 128.87 2krt n ASN 111 Ca -0.08 -2.96 -0.10 0.00 0.87 0.00 0.00 54.58 52.31 2krt n ASN 111 Cb 0.50 -0.65 -0.02 0.00 -1.02 0.00 0.00 39.78 38.59 2krt n ASN 111 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 2krt h PRO 112 N 4.48 0.69 0.00 3.52 0.13 -1.89 -3.28 132.00 135.66 2krt h PRO 112 Ca 0.15 -0.22 -0.03 0.00 -0.87 0.00 0.00 66.00 65.04 2krt h PRO 112 Cb 0.80 -0.06 -0.06 0.00 0.13 0.00 0.00 31.00 31.81 2krt h PRO 112 CO 0.60 0.78 -0.39 2.48 -0.23 0.00 0.00 178.00 181.25 2krt n TYR 113 N -4.45 0.00 -0.05 1.56 0.18 -1.26 -4.78 117.16 108.35 2krt n TYR 113 Ca -0.01 -0.84 -0.05 0.00 1.88 0.00 0.00 57.90 58.87 2krt n TYR 113 Cb 0.28 -0.15 -0.07 0.00 -0.38 0.00 0.00 39.34 39.02 2krt n TYR 113 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 2krt n LEU 114 N -0.77 0.39 0.33 -3.48 4.77 -1.24 -4.02 117.00 112.99 2krt n LEU 114 Ca 0.12 -0.01 -0.19 0.00 -0.03 0.00 0.00 56.01 55.91 2krt n LEU 114 Cb 0.74 0.15 -0.10 0.00 -2.33 0.00 0.00 43.42 41.88 2krt n LEU 114 CO -0.01 0.30 0.54 -0.08 -1.33 0.00 0.00 177.39 176.81 2krt h GLU 115 N 0.00 -1.01 -2.80 3.23 4.57 -1.86 -3.38 114.58 113.33 2krt h GLU 115 Ca -0.26 0.07 -0.60 0.00 -1.18 0.00 0.00 59.36 57.39 2krt h GLU 115 Cb 1.57 0.23 -0.40 0.00 -0.16 0.00 0.00 28.75 29.99 2krt h GLU 115 CO 0.01 -0.67 -0.79 -3.38 -1.18 0.00 0.00 179.01 172.99 2krt s HIS 116 N -5.91 1.67 0.36 0.92 -3.43 -1.26 -4.97 115.29 102.67 2krt s HIS 116 Ca -0.18 -2.29 0.12 0.00 -0.80 0.00 0.00 55.06 51.90 2krt s HIS 116 Cb 0.04 -1.57 0.68 0.00 -1.43 0.00 0.00 32.58 30.31 2krt s HIS 116 CO 0.61 -0.78 1.81 1.25 -2.00 0.00 0.00 174.74 175.63 2krt h HIS 117 N 6.51 0.05 -3.88 0.38 2.76 -1.75 -3.42 115.15 115.80 2krt h HIS 117 Ca 0.07 -0.01 -0.35 0.00 -2.20 0.00 0.00 60.37 57.88 2krt h HIS 117 Cb 0.92 -0.01 -0.29 0.00 1.55 0.00 0.00 27.41 29.58 2krt h HIS 117 CO 0.45 0.41 -0.76 -1.01 -1.30 0.00 0.00 177.93 175.72 2krt s HIS 118 N -4.21 0.56 0.26 5.26 3.76 -1.26 -5.05 115.29 114.62 2krt s HIS 118 Ca -0.03 -0.11 -0.02 0.00 -0.15 0.00 0.00 55.06 54.75 2krt s HIS 118 Cb 0.14 -0.38 0.35 0.00 1.11 0.00 0.00 32.58 33.81 2krt s HIS 118 CO 0.73 -0.03 1.77 1.25 -0.85 0.00 0.00 174.74 177.61 2krt h HIS 119 N 6.13 0.82 -3.61 1.40 2.76 -2.02 -3.38 115.15 117.26 2krt h HIS 119 Ca -0.30 -0.11 -0.67 0.00 -2.20 0.00 0.00 60.37 57.09 2krt h HIS 119 Cb 1.18 -0.23 -0.25 0.00 1.55 0.00 0.00 27.41 29.66 2krt h HIS 119 CO 0.42 0.76 -0.62 -1.58 -1.30 0.00 0.00 177.93 175.61 2krt s HIS 120 N -4.99 3.14 0.00 5.26 2.46 -1.26 -5.17 115.29 114.72 2krt s HIS 120 Ca -0.09 -0.85 0.00 0.00 0.47 0.00 0.00 55.06 54.59 2krt s HIS 120 Cb 0.15 -2.26 0.00 0.00 -0.13 0.00 0.00 32.58 30.33 2krt s HIS 120 CO 0.81 -0.53 0.00 -2.39 -2.47 0.00 0.00 174.74 170.16