#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 4.22 0.54 4.03 1.02 -1.26 -4.97 118.68 122.26 2krt s LEU 2 Ca 0.00 0.97 0.25 0.00 0.02 0.00 0.00 54.13 55.37 2krt s LEU 2 Cb 0.00 -3.56 1.54 0.00 0.02 0.00 0.00 46.19 44.19 2krt s LEU 2 CO 0.00 -0.02 2.16 0.28 0.02 0.00 0.00 176.35 178.79 2krt h SER 3 N 2.86 0.00 -2.96 2.29 0.02 -2.07 -3.40 113.55 110.29 2krt h SER 3 Ca -0.47 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.33 2krt h SER 3 Cb 1.18 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 63.43 2krt h SER 3 CO 0.68 0.05 -0.39 0.00 -1.14 0.00 0.00 176.83 176.02 2krt s GLN 4 N -4.63 0.29 0.08 3.45 -2.07 -1.26 -5.05 119.66 110.47 2krt s GLN 4 Ca -0.04 0.82 -0.27 0.00 -1.82 0.00 0.00 55.36 54.04 2krt s GLN 4 Cb 0.15 0.07 0.08 0.00 -1.09 0.00 0.00 33.01 32.22 2krt s GLN 4 CO 0.60 -0.21 0.97 0.00 -1.32 0.00 0.00 175.29 175.32 2krt s ALA 5 N 1.95 -1.77 0.05 2.60 0.00 -1.26 -5.02 121.76 118.30 2krt s ALA 5 Ca -0.05 0.50 -0.22 0.00 0.00 0.00 0.00 51.96 52.19 2krt s ALA 5 Cb -0.11 0.52 -0.14 0.00 0.00 0.00 0.00 23.12 23.40 2krt s ALA 5 CO -0.11 -0.92 1.47 -0.91 0.00 0.00 0.00 175.76 175.30 2krt h ASN 6 N 2.00 0.18 0.29 0.00 4.21 -1.99 -0.11 115.58 120.16 2krt h ASN 6 Ca -0.24 -0.31 -0.11 0.00 1.21 0.00 0.00 56.30 56.86 2krt h ASN 6 Cb 1.23 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 38.37 2krt h ASN 6 CO 0.27 0.45 -0.44 1.05 -1.29 0.00 0.00 177.43 177.47 2krt h GLU 7 N -0.09 0.19 -0.06 0.81 4.11 -1.98 -2.13 114.58 115.43 2krt h GLU 7 Ca 0.03 -0.10 -0.23 0.00 0.07 0.00 0.00 59.36 59.13 2krt h GLU 7 Cb 0.35 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.62 2krt h GLU 7 CO 0.01 0.60 -0.87 -0.44 0.07 0.00 0.00 179.01 178.38 2krt h ASP 8 N 0.16 0.87 0.02 3.06 3.32 -1.89 0.71 116.42 122.67 2krt h ASP 8 Ca 0.01 -0.69 -0.00 0.00 0.02 0.00 0.00 57.03 56.37 2krt h ASP 8 Cb 0.85 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.14 2krt h ASP 8 CO 0.07 1.44 -0.01 -0.26 -1.72 0.00 0.00 179.24 178.76 2krt h PHE 9 N 0.38 -0.02 -0.22 4.55 -1.00 -0.98 -2.24 116.94 117.42 2krt h PHE 9 Ca -0.09 -0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.62 2krt h PHE 9 Cb 1.52 0.01 -0.01 0.00 3.61 0.00 0.00 35.95 41.08 2krt h PHE 9 CO 0.10 0.01 -0.17 1.57 -1.61 0.00 0.00 178.31 178.21 2krt h LYS 10 N -0.05 0.37 -0.56 1.51 2.10 -1.45 -2.70 116.57 115.80 2krt h LYS 10 Ca -0.00 -0.11 0.10 0.00 -2.00 0.00 0.00 60.65 58.64 2krt h LYS 10 Cb 0.04 -0.04 -0.08 0.00 -0.90 0.00 0.00 32.23 31.26 2krt h LYS 10 CO 0.00 0.54 0.12 -0.22 -2.00 0.00 0.00 179.45 177.89 2krt h LYS 11 N 0.34 0.24 -0.66 0.07 3.64 -0.53 0.14 116.57 119.82 2krt h LYS 11 Ca 0.06 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.49 2krt h LYS 11 Cb 0.51 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.21 2krt h LYS 11 CO 0.03 0.16 0.35 0.82 -2.27 0.00 0.00 179.45 178.54 2krt h ILE 12 N 0.25 0.93 -0.26 2.00 2.04 -1.08 0.93 117.51 122.32 2krt h ILE 12 Ca 0.29 -0.22 -0.07 0.00 1.00 0.00 0.00 64.86 65.86 2krt h ILE 12 Cb 0.41 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 2krt h ILE 12 CO -0.37 0.12 -0.15 0.58 0.00 0.00 0.00 178.15 178.33 2krt h VAL 13 N 0.64 1.23 -0.00 1.67 2.07 -1.11 -1.82 116.25 118.92 2krt h VAL 13 Ca 0.30 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.80 2krt h VAL 13 Cb 0.22 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2krt h VAL 13 CO -0.20 0.33 -0.06 0.59 0.02 0.00 0.00 177.57 178.25 2krt n ASN 14 N -4.20 0.08 -1.30 0.57 3.02 0.38 -3.03 115.26 110.78 2krt n ASN 14 Ca 0.00 0.25 0.12 0.00 -0.03 0.00 0.00 54.58 54.93 2krt n ASN 14 Cb 0.33 -0.36 0.29 0.00 -0.61 0.00 0.00 39.78 39.43 2krt n ASN 14 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2krt n ASN 15 N -1.44 3.81 -4.59 6.41 3.02 0.25 -4.92 115.26 117.81 2krt n ASN 15 Ca 0.08 -2.00 -0.42 0.00 -0.03 0.00 0.00 54.58 52.22 2krt n ASN 15 Cb 0.32 -0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 39.05 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 -1.16 3.58 0.07 2.41 1.01 -1.05 -4.74 121.20 121.32 2krt s ILE 16 Ca 0.46 0.54 0.08 0.00 0.00 0.00 0.00 60.65 61.73 2krt s ILE 16 Cb 0.25 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 2krt s ILE 16 CO 0.33 -0.69 -0.19 -0.60 0.00 0.00 0.00 174.94 173.78 2krt s ARG 17 N 5.79 1.91 0.00 2.79 6.06 -1.26 -4.97 118.95 129.27 2krt s ARG 17 Ca 0.69 -1.08 0.00 0.00 -2.50 0.00 0.00 55.73 52.84 2krt s ARG 17 Cb -0.17 -2.13 0.00 0.00 0.06 0.00 0.00 34.95 32.71 2krt s ARG 17 CO 0.29 0.51 0.40 1.47 -2.50 0.00 0.00 175.30 175.48 2krt n LEU 18 N 1.26 1.04 0.00 -0.88 -0.00 -1.26 -1.38 117.00 115.77 2krt n LEU 18 Ca -0.16 -0.52 0.00 0.00 -0.00 0.00 0.00 56.01 55.33 2krt n LEU 18 Cb 0.52 -0.28 0.00 0.00 -0.00 0.00 0.00 43.42 43.66 2krt n LEU 18 CO 0.27 0.20 0.00 1.17 -0.00 0.00 0.00 177.39 179.03 2krt n LYS 19 N 0.42 0.00 -0.12 1.47 4.81 -1.19 -4.44 118.16 119.11 2krt n LYS 19 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 2krt n LYS 19 Cb 0.20 -0.05 -0.01 0.00 0.02 0.00 0.00 35.03 35.20 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 0.47 0.00 3.14 1.82 -1.94 -3.38 116.42 116.53 2krt h ASP 20 Ca 0.00 -0.10 -0.21 0.00 -0.39 0.00 0.00 57.03 56.33 2krt h ASP 20 Cb 0.00 -0.12 -0.03 0.00 0.68 0.00 0.00 39.33 39.86 2krt h ASP 20 CO 0.00 0.44 -1.20 0.41 -1.61 0.00 0.00 179.24 177.27 2krt n THR 21 N -4.74 1.52 -3.71 2.25 -1.04 -0.48 -4.60 114.28 103.47 2krt n THR 21 Ca -0.00 -0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.89 2krt n THR 21 Cb 0.09 -2.08 -0.11 0.00 -1.82 0.00 0.00 70.33 66.40 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 -2.35 -0.50 -0.36 -1.42 -0.71 -1.15 -1.10 117.98 110.39 2krt s PHE 22 Ca -0.27 1.10 -0.26 0.00 -1.04 0.00 0.00 56.93 56.46 2krt s PHE 22 Cb 0.06 0.19 0.01 0.00 -1.21 0.00 0.00 43.02 42.07 2krt s PHE 22 CO 0.54 -0.29 0.92 -0.51 -1.34 0.00 0.00 175.22 174.54 2krt s ASP 23 N 1.21 6.69 -0.20 1.98 1.11 -1.23 -3.18 116.67 123.04 2krt s ASP 23 Ca -0.08 0.60 -0.09 0.00 0.18 0.00 0.00 52.55 53.15 2krt s ASP 23 Cb -0.08 -2.46 -0.05 0.00 1.07 0.00 0.00 42.92 41.40 2krt s ASP 23 CO -0.10 -0.84 0.11 0.72 1.18 0.00 0.00 175.17 176.24 2krt s PHE 24 N 3.45 3.35 -0.11 4.23 -0.71 -1.26 -1.44 117.98 125.48 2krt s PHE 24 Ca 0.38 0.23 -0.05 0.00 -1.04 0.00 0.00 56.93 56.45 2krt s PHE 24 Cb -0.12 -2.15 -0.04 0.00 -1.21 0.00 0.00 43.02 39.50 2krt s PHE 24 CO 0.18 0.21 0.07 0.21 -1.34 0.00 0.00 175.22 174.55 2krt s LYS 25 N 0.47 3.30 -0.20 1.99 2.20 -0.15 -4.92 119.74 122.43 2krt s LYS 25 Ca 0.06 -0.28 -0.18 0.00 -0.36 0.00 0.00 55.97 55.22 2krt s LYS 25 Cb -0.12 -3.02 -0.03 0.00 -1.51 0.00 0.00 37.83 33.15 2krt s LYS 25 CO -0.00 0.69 0.50 -0.51 -0.36 0.00 0.00 175.35 175.66 2krt s LEU 26 N -0.80 4.15 0.34 5.43 2.01 -1.23 -1.18 118.68 127.40 2krt s LEU 26 Ca 0.13 0.65 0.09 0.00 0.01 0.00 0.00 54.13 55.01 2krt s LEU 26 Cb -0.12 -2.68 0.82 0.00 0.01 0.00 0.00 46.19 44.22 2krt s LEU 26 CO 0.03 -0.16 1.83 0.00 1.01 0.00 0.00 176.35 179.05 2krt h ALA 27 N 7.45 1.83 0.00 4.21 0.00 -1.84 -0.06 119.26 130.85 2krt h ALA 27 Ca -0.34 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2krt h ALA 27 Cb 1.16 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2krt h ALA 27 CO 0.74 -0.13 -0.54 0.00 0.00 0.00 0.00 179.25 179.32 2krt h ALA 28 N 1.61 0.70 -2.65 0.00 0.00 -1.90 -3.41 119.26 113.61 2krt h ALA 28 Ca 0.51 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.82 2krt h ALA 28 Cb 0.87 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 18.27 2krt h ALA 28 CO -0.27 0.00 -0.83 -0.06 0.00 0.00 0.00 179.25 178.09 2krt s PHE 29 N -3.24 1.85 0.14 0.00 0.08 -0.05 -4.98 117.98 111.79 2krt s PHE 29 Ca 0.05 -2.57 0.02 0.00 0.12 0.00 0.00 56.93 54.55 2krt s PHE 29 Cb 0.10 -1.52 -0.08 0.00 -0.57 0.00 0.00 43.02 40.94 2krt s PHE 29 CO 0.72 -0.75 1.32 -1.00 -0.10 0.00 0.00 175.22 175.42 2krt h PRO 30 N 5.80 0.18 0.00 0.24 0.13 -1.76 -3.26 132.00 133.32 2krt h PRO 30 Ca 0.19 -0.22 -0.29 0.00 -0.87 0.00 0.00 66.00 64.80 2krt h PRO 30 Cb 0.87 0.07 -0.05 0.00 0.13 0.00 0.00 31.00 32.02 2krt h PRO 30 CO 0.47 1.00 -1.91 0.09 -0.23 0.00 0.00 178.00 177.42 2krt n ASN 31 N -3.59 0.53 -4.71 1.44 5.03 -1.26 -4.91 115.26 107.80 2krt n ASN 31 Ca -0.04 0.25 -0.42 0.00 0.87 0.00 0.00 54.58 55.24 2krt n ASN 31 Cb 0.86 0.42 -0.03 0.00 -1.02 0.00 0.00 39.78 40.01 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 -2.64 4.36 0.17 3.52 -1.52 -1.26 -5.00 119.66 117.29 2krt s GLN 32 Ca -0.06 1.91 -0.26 0.00 -1.95 0.00 0.00 55.36 55.00 2krt s GLN 32 Cb 0.08 -3.37 -0.08 0.00 -0.22 0.00 0.00 33.01 29.42 2krt s GLN 32 CO 0.83 -0.39 0.81 -0.80 -0.25 0.00 0.00 175.29 175.48 2krt s ASN 33 N 1.26 7.43 0.00 5.90 0.02 -1.26 -4.93 114.94 123.35 2krt s ASN 33 Ca 0.62 1.69 0.09 0.00 -1.02 0.00 0.00 52.86 54.24 2krt s ASN 33 Cb -0.32 -2.52 0.57 0.00 0.02 0.00 0.00 41.25 39.00 2krt s ASN 33 CO 0.29 0.18 1.01 0.00 0.02 0.00 0.00 177.10 178.61 2krt n TYR 34 N 1.67 0.00 1.08 2.20 0.18 -1.26 -0.85 117.16 120.19 2krt n TYR 34 Ca -0.05 0.00 0.12 0.00 1.88 0.00 0.00 57.90 59.85 2krt n TYR 34 Cb 0.48 -0.00 0.13 0.00 -0.38 0.00 0.00 39.34 39.57 2krt n TYR 34 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 2krt n ASP 35 N -1.00 1.50 -0.55 9.48 8.00 -1.26 -4.35 116.55 128.37 2krt n ASP 35 Ca 0.07 -1.18 0.01 0.00 0.71 0.00 0.00 54.79 54.40 2krt n ASP 35 Cb 0.03 0.40 0.01 0.00 -0.02 0.00 0.00 41.12 41.54 2krt n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2krt n GLN 36 N -0.47 0.07 -4.76 -1.24 1.13 -0.03 -4.65 117.38 107.44 2krt n GLN 36 Ca 0.09 -1.16 -0.29 0.00 -1.94 0.00 0.00 57.00 53.71 2krt n GLN 36 Cb 0.41 -0.52 -0.14 0.00 0.11 0.00 0.00 30.24 30.10 2krt n GLN 36 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2krt s LEU 37 N -0.15 2.19 0.18 1.08 1.98 -0.87 -4.87 118.68 118.21 2krt s LEU 37 Ca 0.04 -0.59 -0.30 0.00 -2.89 0.00 0.00 54.13 50.39 2krt s LEU 37 Cb 0.04 -1.18 -0.08 0.00 0.66 0.00 0.00 46.19 45.64 2krt s LEU 37 CO -0.01 0.22 1.17 -0.76 -1.89 0.00 0.00 176.35 175.07 2krt s LEU 38 N -1.33 4.46 0.29 -0.68 1.02 -1.26 -4.59 118.68 116.58 2krt s LEU 38 Ca 0.11 2.18 0.02 0.00 0.02 0.00 0.00 54.13 56.46 2krt s LEU 38 Cb -0.10 -3.60 0.58 0.00 0.02 0.00 0.00 46.19 43.09 2krt s LEU 38 CO 0.02 -0.33 1.84 -0.65 0.02 0.00 0.00 176.35 177.26 2krt h PRO 39 N 5.27 0.94 -0.51 1.29 0.11 -1.91 -2.22 132.00 134.97 2krt h PRO 39 Ca -0.44 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2krt h PRO 39 Cb 1.21 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 2krt h PRO 39 CO 0.74 0.62 0.27 1.03 -0.21 0.00 0.00 178.00 180.45 2krt h SER 40 N 0.97 0.66 -0.61 -2.05 0.87 -1.95 -2.62 113.55 108.82 2krt h SER 40 Ca 0.49 -0.11 0.01 0.00 -1.23 0.00 0.00 61.79 60.95 2krt h SER 40 Cb 0.50 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 2krt h SER 40 CO -0.25 0.58 0.40 1.56 -0.53 0.00 0.00 176.83 178.59 2krt h GLN 41 N 0.69 0.79 -0.61 2.24 1.08 -1.80 -1.01 115.11 116.48 2krt h GLN 41 Ca 0.18 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.30 2krt h GLN 41 Cb 0.08 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.31 2krt h GLN 41 CO -0.03 0.52 0.24 0.82 -0.95 0.00 0.00 178.83 179.44 2krt h ILE 42 N 0.82 1.23 -0.66 2.54 2.04 -1.27 -1.57 117.51 120.64 2krt h ILE 42 Ca 0.23 -0.72 -0.07 0.00 1.00 0.00 0.00 64.86 65.29 2krt h ILE 42 Cb -0.08 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 2krt h ILE 42 CO -0.05 0.28 0.14 0.22 0.00 0.00 0.00 178.15 178.74 2krt h TYR 43 N 0.85 1.13 0.00 1.37 3.20 -1.00 -2.46 116.97 120.05 2krt h TYR 43 Ca 0.20 -0.14 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 2krt h TYR 43 Cb 0.20 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 2krt h TYR 43 CO 0.01 0.93 -0.17 0.87 -1.64 0.00 0.00 178.16 178.16 2krt h LYS 44 N 1.01 0.00 0.00 1.82 1.57 -0.90 -1.26 116.57 118.80 2krt h LYS 44 Ca 0.21 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 2krt h LYS 44 Cb 0.39 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 2krt h LYS 44 CO 0.01 0.17 -0.10 -0.97 -0.57 0.00 0.00 179.45 177.99 2krt h ASN 45 N 0.00 0.00 -0.58 0.86 -1.24 -0.81 -3.13 115.58 110.67 2krt h ASN 45 Ca -0.00 0.00 0.13 0.00 0.71 0.00 0.00 56.30 57.14 2krt h ASN 45 Cb 0.31 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.33 2krt h ASN 45 CO 0.02 0.10 0.40 0.22 -1.29 0.00 0.00 177.43 176.88 2krt h TYR 46 N 0.00 0.25 0.00 0.67 3.20 -1.10 0.51 116.97 120.50 2krt h TYR 46 Ca -0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2krt h TYR 46 Cb 0.56 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.75 2krt h TYR 46 CO 0.00 0.11 0.00 0.66 -1.64 0.00 0.00 178.16 177.29 2krt n TYR 47 N -4.44 0.00 -0.01 -3.82 4.01 -1.18 -3.81 117.16 107.90 2krt n TYR 47 Ca 0.10 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.81 2krt n TYR 47 Cb 0.49 -0.48 -0.01 0.00 -0.31 0.00 0.00 39.34 39.04 2krt n TYR 47 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2krt n GLN 48 N -1.48 0.19 0.00 -0.72 1.13 0.08 -5.16 117.38 111.42 2krt n GLN 48 Ca 0.03 0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.17 2krt n GLN 48 Cb 0.14 -0.77 0.00 0.00 0.11 0.00 0.00 30.24 29.73 2krt n GLN 48 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2krt n GLY 49 N 2.57 3.40 3.06 1.08 0.00 -0.64 -5.06 105.19 109.60 2krt n GLY 49 Ca -0.05 -1.08 -0.22 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.00 0.97 -0.41 -0.61 1.01 -1.26 -2.78 121.20 116.12 2krt s ILE 50 Ca 0.00 -0.49 -0.18 0.00 0.00 0.00 0.00 60.65 59.98 2krt s ILE 50 Cb 0.00 -0.83 0.02 0.00 0.01 0.00 0.00 42.46 41.65 2krt s ILE 50 CO 0.00 0.29 0.50 -1.61 0.00 0.00 0.00 174.94 174.11 2krt s GLU 51 N -0.05 3.26 -0.39 2.79 8.01 -0.33 -4.91 118.70 127.09 2krt s GLU 51 Ca 0.00 -0.55 -0.22 0.00 0.01 0.00 0.00 54.97 54.22 2krt s GLU 51 Cb -0.07 -3.93 0.01 0.00 -4.31 0.00 0.00 34.13 25.83 2krt s GLU 51 CO 0.00 -0.84 0.70 0.42 0.01 0.00 0.00 175.26 175.56 2krt s ILE 52 N 2.34 4.80 -0.60 -1.63 -1.09 -1.26 -0.97 121.20 122.78 2krt s ILE 52 Ca 0.16 0.57 -0.26 0.00 -2.23 0.00 0.00 60.65 58.89 2krt s ILE 52 Cb -0.16 -4.17 0.04 0.00 -1.58 0.00 0.00 42.46 36.59 2krt s ILE 52 CO 0.15 -0.46 1.07 -1.58 -1.23 0.00 0.00 174.94 172.89 2krt s GLN 53 N 2.93 3.33 -0.54 2.79 -0.44 -0.52 -4.98 119.66 122.23 2krt s GLN 53 Ca 0.27 -0.19 -0.26 0.00 -2.50 0.00 0.00 55.36 52.68 2krt s GLN 53 Cb -0.14 -4.09 -0.05 0.00 -1.64 0.00 0.00 33.01 27.10 2krt s GLN 53 CO 0.17 -1.69 2.16 -0.65 0.50 0.00 0.00 175.29 175.78 2krt s GLN 54 N 4.54 2.34 -0.07 1.67 1.11 -1.26 -3.53 119.66 124.46 2krt s GLN 54 Ca 0.34 1.05 -0.03 0.00 0.01 0.00 0.00 55.36 56.73 2krt s GLN 54 Cb -0.11 -4.50 -0.03 0.00 -1.01 0.00 0.00 33.01 27.36 2krt s GLN 54 CO 0.19 -3.03 -0.09 1.58 0.01 0.00 0.00 175.29 173.95 2krt n HIS 55 N 14.50 0.00 -0.99 0.91 -0.00 -1.22 -4.97 115.22 123.45 2krt n HIS 55 Ca 0.29 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.41 2krt n HIS 55 Cb 0.54 -0.26 0.05 0.00 -0.12 0.00 0.00 29.99 30.19 2krt n HIS 55 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 2krt n LYS 56 N -3.19 -0.69 -1.53 1.57 4.81 -0.26 -4.84 118.16 114.04 2krt n LYS 56 Ca -0.14 -0.41 -0.15 0.00 -0.87 0.00 0.00 58.31 56.74 2krt n LYS 56 Cb 0.61 -0.31 -0.11 0.00 0.02 0.00 0.00 35.03 35.24 2krt n LYS 56 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2krt n TYR 57 N -2.60 0.83 -3.75 5.64 4.02 -1.26 -4.83 117.16 115.20 2krt n TYR 57 Ca 0.03 -0.03 -0.34 0.00 -0.01 0.00 0.00 57.90 57.56 2krt n TYR 57 Cb 0.12 -2.05 -0.10 0.00 -0.02 0.00 0.00 39.34 37.30 2krt n TYR 57 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 2krt s GLN 58 N 8.32 2.70 0.20 -0.72 -1.52 -1.26 -4.57 119.66 122.81 2krt s GLN 58 Ca 0.99 -2.91 0.00 0.00 -1.95 0.00 0.00 55.36 51.49 2krt s GLN 58 Cb -0.29 -3.70 0.00 0.00 -0.22 0.00 0.00 33.01 28.79 2krt s GLN 58 CO 0.21 -1.21 0.00 -1.71 -0.25 0.00 0.00 175.29 172.32 2krt n ASN 59 N 2.83 -1.76 0.04 5.90 2.85 -1.26 -4.96 115.26 118.90 2krt n ASN 59 Ca 0.14 0.39 -0.19 0.00 -0.11 0.00 0.00 54.58 54.80 2krt n ASN 59 Cb 0.36 1.91 -0.14 0.00 1.24 0.00 0.00 39.78 43.15 2krt n ASN 59 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 2krt h GLU 60 N 0.00 0.31 -6.49 1.20 4.57 -1.92 -3.44 114.58 108.81 2krt h GLU 60 Ca 0.00 -0.49 -0.69 0.00 -1.18 0.00 0.00 59.36 57.00 2krt h GLU 60 Cb 0.00 0.18 -0.25 0.00 -0.16 0.00 0.00 28.75 28.52 2krt h GLU 60 CO 0.00 1.22 -0.82 -0.48 -1.18 0.00 0.00 179.01 177.75 2krt s LEU 61 N -7.97 2.49 -0.11 1.64 0.05 -1.26 -0.87 118.68 112.65 2krt s LEU 61 Ca -0.14 -0.35 0.02 0.00 0.05 0.00 0.00 54.13 53.72 2krt s LEU 61 Cb 0.01 -1.48 -0.01 0.00 -2.05 0.00 0.00 46.19 42.67 2krt s LEU 61 CO 0.83 0.31 -0.19 -0.62 -0.55 0.00 0.00 176.35 176.13 2krt s ASP 62 N -0.91 3.49 -0.28 1.48 2.15 -0.93 -4.45 116.67 117.21 2krt s ASP 62 Ca 0.12 -0.46 -0.14 0.00 0.43 0.00 0.00 52.55 52.50 2krt s ASP 62 Cb -0.10 -1.50 -0.04 0.00 -0.30 0.00 0.00 42.92 40.98 2krt s ASP 62 CO 0.01 0.16 0.34 -0.63 -0.17 0.00 0.00 175.17 174.89 2krt s ILE 63 N 0.35 5.19 -0.06 4.11 1.01 -1.26 -1.58 121.20 128.96 2krt s ILE 63 Ca -0.15 0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.97 2krt s ILE 63 Cb -0.17 -3.68 0.02 0.00 0.01 0.00 0.00 42.46 38.63 2krt s ILE 63 CO 0.08 0.15 -0.10 -0.54 0.00 0.00 0.00 174.94 174.52 2krt s LYS 64 N 2.02 1.47 -0.13 2.79 -0.14 -1.07 -4.99 119.74 119.69 2krt s LYS 64 Ca 0.13 -0.33 -0.23 0.00 -1.36 0.00 0.00 55.97 54.18 2krt s LYS 64 Cb -0.16 -1.25 -0.03 0.00 -1.68 0.00 0.00 37.83 34.71 2krt s LYS 64 CO 0.10 0.00 0.73 0.42 -0.76 0.00 0.00 175.35 175.84 2krt s ILE 65 N 0.72 4.99 0.00 2.17 1.01 -1.26 -0.67 121.20 128.16 2krt s ILE 65 Ca -0.14 1.45 0.00 0.00 0.00 0.00 0.00 60.65 61.96 2krt s ILE 65 Cb -0.15 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.27 2krt s ILE 65 CO 0.03 0.15 0.00 -0.38 0.00 0.00 0.00 174.94 174.74 2krt n ILE 66 N 4.28 0.00 -4.38 2.92 5.41 0.44 -4.98 119.36 123.05 2krt n ILE 66 Ca 0.01 0.00 -0.20 0.00 1.00 0.00 0.00 62.75 63.55 2krt n ILE 66 Cb 0.50 -0.42 -0.09 0.00 -0.71 0.00 0.00 39.64 38.92 2krt n ILE 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2krt s ASN 67 N -1.00 1.83 0.09 4.38 4.22 -1.25 -5.00 114.94 118.21 2krt s ASN 67 Ca 0.00 -1.53 0.10 0.00 -2.14 0.00 0.00 52.86 49.29 2krt s ASN 67 Cb 0.00 0.32 -0.03 0.00 1.28 0.00 0.00 41.25 42.81 2krt s ASN 67 CO 0.00 -0.84 -0.26 -0.36 -2.04 0.00 0.00 177.10 173.60 2krt s PHE 68 N -3.51 2.26 0.05 1.54 0.40 -1.26 -2.00 117.98 115.46 2krt s PHE 68 Ca 0.34 -0.39 -0.04 0.00 -0.60 0.00 0.00 56.93 56.24 2krt s PHE 68 Cb 0.05 -1.28 -0.02 0.00 0.51 0.00 0.00 43.02 42.29 2krt s PHE 68 CO 0.16 0.24 0.05 -0.48 0.70 0.00 0.00 175.22 175.90 2krt s LEU 69 N -1.72 2.05 0.54 -0.37 2.34 -0.92 -5.02 118.68 115.59 2krt s LEU 69 Ca 0.12 -0.73 0.06 0.00 0.06 0.00 0.00 54.13 53.65 2krt s LEU 69 Cb -0.10 0.47 0.06 0.00 -0.56 0.00 0.00 46.19 46.06 2krt s LEU 69 CO 0.04 -0.56 0.75 -0.31 -1.06 0.00 0.00 176.35 175.21 2krt s TYR 70 N -3.20 2.10 -0.54 3.48 2.02 -1.26 -1.14 117.35 118.82 2krt s TYR 70 Ca 0.00 -0.44 -0.14 0.00 -0.37 0.00 0.00 57.07 56.12 2krt s TYR 70 Cb 0.02 -2.47 -0.13 0.00 -0.40 0.00 0.00 41.96 38.99 2krt s TYR 70 CO -0.07 -0.96 1.55 -2.30 -1.57 0.00 0.00 175.55 172.19 2krt n PRO 71 N -2.23 0.04 -3.19 -1.71 -0.02 -1.26 -3.72 135.00 122.92 2krt n PRO 71 Ca 0.12 -0.87 -0.23 0.00 -2.02 0.00 0.00 63.50 60.51 2krt n PRO 71 Cb 0.60 -2.49 0.02 0.00 -0.02 0.00 0.00 33.50 31.61 2krt n PRO 71 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2krt n ASP 72 N 12.27 -6.74 0.00 2.55 2.03 -1.26 -3.65 116.55 121.75 2krt n ASP 72 Ca 0.21 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.68 2krt n ASP 72 Cb 0.48 -3.56 0.00 0.00 -0.72 0.00 0.00 41.12 37.31 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 -0.33 1.42 3.69 0.27 0.00 -1.24 -4.93 105.19 104.07 2krt n GLY 73 Ca 0.01 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 7.24 0.21 1.61 2.15 -1.24 -4.84 116.67 121.81 2krt s ASP 74 Ca 0.00 1.58 0.11 0.00 0.43 0.00 0.00 52.55 54.67 2krt s ASP 74 Cb 0.00 -2.56 -0.00 0.00 -0.30 0.00 0.00 42.92 40.06 2krt s ASP 74 CO 0.00 -0.44 1.40 2.19 -0.17 0.00 0.00 175.17 178.15 2krt h PHE 75 N 7.09 0.00 -0.49 -5.34 -0.00 -1.91 -3.30 116.94 112.98 2krt h PHE 75 Ca -0.33 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 57.64 2krt h PHE 75 Cb 1.16 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 37.08 2krt h PHE 75 CO 0.71 0.73 0.30 0.78 -0.00 0.00 0.00 178.31 180.83 2krt h GLY 76 N 3.09 0.71 2.00 6.09 0.00 -1.98 -0.54 103.07 112.44 2krt h GLY 76 Ca -0.01 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 2krt h GLY 76 CO 0.09 0.28 -0.00 1.76 0.00 0.00 0.00 176.54 178.67 2krt h SER 77 N 0.66 0.00 0.00 0.19 0.02 -1.92 -2.15 113.55 110.34 2krt h SER 77 Ca 0.18 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 2krt h SER 77 Cb -0.02 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 2krt h SER 77 CO -0.03 0.00 -0.04 0.00 -1.14 0.00 0.00 176.83 175.62 2krt h ALA 78 N 2.00 0.01 -0.58 3.77 0.00 -1.32 -3.38 119.26 119.76 2krt h ALA 78 Ca -0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 2krt h ALA 78 Cb 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2krt h ALA 78 CO 0.00 0.03 0.29 -0.91 0.00 0.00 0.00 179.25 178.66 2krt h ASN 79 N -1.00 0.72 -0.00 0.00 2.35 -0.98 0.59 115.58 117.25 2krt h ASN 79 Ca -0.01 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 2krt h ASN 79 Cb 0.71 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.90 2krt h ASN 79 CO -0.01 0.60 0.00 0.07 -1.65 0.00 0.00 177.43 176.45 2krt h LYS 80 N 0.81 0.00 0.00 0.81 2.10 -1.47 -0.48 116.57 118.34 2krt h LYS 80 Ca 0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.85 2krt h LYS 80 Cb 0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 2krt h LYS 80 CO -0.03 0.00 0.00 -1.71 -2.00 0.00 0.00 179.45 175.71 2krt n ASN 81 N -3.92 0.82 -3.58 7.07 5.15 -0.98 -3.73 115.26 116.09 2krt n ASN 81 Ca -0.03 -1.36 -0.22 0.00 -0.60 0.00 0.00 54.58 52.38 2krt n ASN 81 Cb 0.09 0.00 0.05 0.00 -0.53 0.00 0.00 39.78 39.39 2krt n ASN 81 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2krt n GLY 82 N -0.18 -0.62 3.64 8.20 0.00 0.20 -4.20 105.19 112.23 2krt n GLY 82 Ca 0.00 0.29 -0.28 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.54 3.66 -0.14 2.61 -4.23 -0.53 -1.75 115.64 111.72 2krt s THR 83 Ca 0.19 -1.35 -0.15 0.00 -1.18 0.00 0.00 61.69 59.20 2krt s THR 83 Cb -0.05 -2.80 0.04 0.00 1.34 0.00 0.00 72.50 71.03 2krt s THR 83 CO 0.80 -0.04 0.42 -0.22 -0.54 0.00 0.00 174.62 175.04 2krt s LEU 84 N -2.71 0.41 -0.27 4.79 2.96 -0.61 -4.74 118.68 118.51 2krt s LEU 84 Ca 0.26 0.76 -0.08 0.00 -0.22 0.00 0.00 54.13 54.85 2krt s LEU 84 Cb -0.10 1.46 -0.02 0.00 0.50 0.00 0.00 46.19 48.02 2krt s LEU 84 CO 0.17 -0.19 0.10 -0.54 -1.32 0.00 0.00 176.35 174.57 2krt s LYS 85 N 0.02 3.58 -0.16 1.98 1.02 -0.29 -2.29 119.74 123.61 2krt s LYS 85 Ca -0.02 -0.53 -0.17 0.00 0.02 0.00 0.00 55.97 55.27 2krt s LYS 85 Cb -0.03 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.84 2krt s LYS 85 CO 0.01 -0.25 0.43 -0.51 -0.92 0.00 0.00 175.35 174.12 2krt s LEU 86 N 1.62 4.22 -0.53 3.17 2.01 0.21 -2.16 118.68 127.23 2krt s LEU 86 Ca 0.06 0.67 -0.17 0.00 0.01 0.00 0.00 54.13 54.70 2krt s LEU 86 Cb -0.16 -2.60 0.10 0.00 0.01 0.00 0.00 46.19 43.54 2krt s LEU 86 CO 0.05 -0.03 0.54 -0.44 1.01 0.00 0.00 176.35 177.47 2krt s SER 87 N 0.78 6.18 0.10 2.29 0.01 -0.85 -0.97 113.70 121.25 2krt s SER 87 Ca 0.22 -1.44 0.02 0.00 1.31 0.00 0.00 55.95 56.07 2krt s SER 87 Cb -0.15 -2.24 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 2krt s SER 87 CO 0.08 -0.86 0.18 -0.76 0.41 0.00 0.00 173.24 172.29 2krt s LEU 88 N 2.02 4.09 -0.20 2.44 1.02 0.05 -0.42 118.68 127.67 2krt s LEU 88 Ca 0.07 0.10 0.01 0.00 0.02 0.00 0.00 54.13 54.33 2krt s LEU 88 Cb -0.25 -2.71 0.04 0.00 0.02 0.00 0.00 46.19 43.28 2krt s LEU 88 CO 0.06 0.13 -0.15 0.00 0.02 0.00 0.00 176.35 176.41 2krt s MET 89 N -2.74 2.48 -0.39 1.70 0.23 0.16 -0.47 119.30 120.25 2krt s MET 89 Ca 0.33 -0.96 -0.18 0.00 -1.03 0.00 0.00 55.69 53.85 2krt s MET 89 Cb -0.12 -2.58 0.01 0.00 -1.53 0.00 0.00 34.83 30.61 2krt s MET 89 CO 0.26 -0.37 0.49 -0.51 -2.03 0.00 0.00 175.02 172.85 2krt s LEU 90 N 1.28 4.60 -0.51 0.18 2.01 0.64 -2.59 118.68 124.28 2krt s LEU 90 Ca -0.01 -0.38 -0.26 0.00 0.01 0.00 0.00 54.13 53.50 2krt s LEU 90 Cb -0.16 -2.50 0.03 0.00 0.01 0.00 0.00 46.19 43.57 2krt s LEU 90 CO -0.09 -0.56 0.98 -0.89 1.01 0.00 0.00 176.35 176.80 2krt s THR 91 N 2.33 4.36 -0.16 5.49 2.01 -0.62 -0.75 115.64 128.30 2krt s THR 91 Ca 0.16 0.61 -0.29 0.00 0.31 0.00 0.00 61.69 62.48 2krt s THR 91 Cb -0.16 -4.53 -0.03 0.00 0.01 0.00 0.00 72.50 67.79 2krt s THR 91 CO 0.14 -1.03 1.59 -1.81 -0.69 0.00 0.00 174.62 172.83 2krt s ASP 92 N 2.60 6.53 0.02 3.53 1.01 0.59 -2.18 116.67 128.77 2krt s ASP 92 Ca 0.36 1.82 -0.20 0.00 0.71 0.00 0.00 52.55 55.24 2krt s ASP 92 Cb -0.10 -2.53 -0.17 0.00 1.01 0.00 0.00 42.92 41.12 2krt s ASP 92 CO 0.24 -1.10 1.24 0.11 0.21 0.00 0.00 175.17 175.87 2krt h LYS 93 N 10.09 0.39 -0.62 8.23 1.79 -1.30 0.72 116.57 135.87 2krt h LYS 93 Ca -0.35 -0.28 -0.03 0.00 -2.18 0.00 0.00 60.65 57.81 2krt h LYS 93 Cb 1.16 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.82 2krt h LYS 93 CO 0.98 0.90 0.27 1.57 -1.08 0.00 0.00 179.45 182.09 2krt h LYS 94 N -0.05 0.89 0.00 3.15 2.10 -1.92 -3.14 116.57 117.60 2krt h LYS 94 Ca -0.01 -0.13 0.00 0.00 -2.00 0.00 0.00 60.65 58.51 2krt h LYS 94 Cb 0.93 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.10 2krt h LYS 94 CO 0.07 0.71 -1.56 0.09 -2.00 0.00 0.00 179.45 176.75 2krt n ASN 95 N -4.33 0.39 -0.16 7.07 3.02 -1.23 -4.97 115.26 115.06 2krt n ASN 95 Ca 0.05 -0.31 -0.02 0.00 -0.03 0.00 0.00 54.58 54.27 2krt n ASN 95 Cb 0.15 1.52 -0.01 0.00 -0.61 0.00 0.00 39.78 40.83 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 -2.02 -5.19 -2.75 6.41 5.03 0.25 -4.98 115.26 112.02 2krt n ASN 96 Ca -0.01 0.05 -0.05 0.00 0.87 0.00 0.00 54.58 55.44 2krt n ASN 96 Cb 0.48 -2.87 0.02 0.00 -1.02 0.00 0.00 39.78 36.39 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 -0.35 0.94 -3.88 3.52 1.13 -1.14 -4.83 117.38 112.77 2krt n GLN 97 Ca -0.02 -0.81 -0.12 0.00 -1.94 0.00 0.00 57.00 54.11 2krt n GLN 97 Cb 0.39 -0.05 -0.14 0.00 0.11 0.00 0.00 30.24 30.56 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 -0.00 0.01 -0.12 5.09 0.11 -1.26 -0.30 120.40 123.93 2krt s VAL 98 Ca 0.15 -0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.20 2krt s VAL 98 Cb -0.01 -0.02 0.01 0.00 -1.53 0.00 0.00 36.38 34.83 2krt s VAL 98 CO 0.09 -0.00 -0.19 -0.47 -3.33 0.00 0.00 175.10 171.20 2krt s TYR 99 N -0.02 2.35 -0.20 1.54 5.04 0.07 -4.92 117.35 121.21 2krt s TYR 99 Ca -0.00 -1.13 -0.23 0.00 -2.44 0.00 0.00 57.07 53.27 2krt s TYR 99 Cb -0.00 -1.63 -0.02 0.00 0.35 0.00 0.00 41.96 40.66 2krt s TYR 99 CO -0.00 -0.53 0.74 0.71 -1.34 0.00 0.00 175.55 175.13 2krt s TYR 100 N 0.84 3.37 -0.17 4.97 2.02 -1.26 -0.26 117.35 126.87 2krt s TYR 100 Ca -0.08 1.08 -0.01 0.00 -0.37 0.00 0.00 57.07 57.69 2krt s TYR 100 Cb -0.15 -2.93 -0.01 0.00 -0.40 0.00 0.00 41.96 38.47 2krt s TYR 100 CO -0.01 -0.25 -0.11 0.21 -1.57 0.00 0.00 175.55 173.83 2krt s LYS 101 N 2.20 3.34 -0.33 -0.62 2.47 0.37 -4.96 119.74 122.22 2krt s LYS 101 Ca 0.33 -0.68 -0.13 0.00 -1.56 0.00 0.00 55.97 53.93 2krt s LYS 101 Cb -0.16 -2.76 -0.02 0.00 -1.46 0.00 0.00 37.83 33.43 2krt s LYS 101 CO 0.10 0.02 0.28 -0.51 0.16 0.00 0.00 175.35 175.40 2krt s LEU 102 N 0.85 4.40 -0.34 5.43 2.01 -1.26 -0.77 118.68 129.00 2krt s LEU 102 Ca -0.03 -0.27 -0.12 0.00 0.01 0.00 0.00 54.13 53.71 2krt s LEU 102 Cb -0.15 -2.21 -0.01 0.00 0.01 0.00 0.00 46.19 43.83 2krt s LEU 102 CO 0.00 -0.24 0.23 -0.76 1.01 0.00 0.00 176.35 176.59 2krt s LEU 103 N 1.83 4.48 -0.51 1.79 1.43 -0.15 -4.92 118.68 122.64 2krt s LEU 103 Ca 0.08 -0.46 -0.16 0.00 -1.03 0.00 0.00 54.13 52.56 2krt s LEU 103 Cb -0.17 -2.12 0.10 0.00 0.03 0.00 0.00 46.19 44.03 2krt s LEU 103 CO 0.11 -0.24 0.47 -1.61 0.23 0.00 0.00 176.35 175.31 2krt s GLU 104 N 1.70 3.00 0.29 1.70 2.02 -1.26 -0.62 118.70 125.52 2krt s GLU 104 Ca 0.06 -1.47 0.07 0.00 0.02 0.00 0.00 54.97 53.65 2krt s GLU 104 Cb -0.17 -4.21 -0.06 0.00 0.10 0.00 0.00 34.13 29.79 2krt s GLU 104 CO 0.10 -1.20 -0.06 0.14 0.02 0.00 0.00 175.26 174.26 2krt s VAL 105 N 1.75 1.68 0.32 2.63 -7.23 -0.97 -5.01 120.40 113.58 2krt s VAL 105 Ca 0.05 -2.13 0.04 0.00 -1.81 0.00 0.00 61.98 58.13 2krt s VAL 105 Cb -0.26 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.17 2krt s VAL 105 CO 0.05 -0.28 0.19 -0.55 -0.31 0.00 0.00 175.10 174.20 2krt s SER 106 N -3.46 1.70 0.00 4.85 0.15 -1.26 -1.57 113.70 114.11 2krt s SER 106 Ca 0.30 -1.62 0.00 0.00 0.70 0.00 0.00 55.95 55.33 2krt s SER 106 Cb 0.04 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 2krt s SER 106 CO 0.12 -0.94 0.00 0.61 1.20 0.00 0.00 173.24 174.23 2krt n GLY 107 N -0.63 0.90 0.22 9.45 0.00 -0.72 -4.97 105.19 109.44 2krt n GLY 107 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.10 -1.97 1.61 0.04 -1.74 -3.44 116.94 111.54 2krt h PHE 108 Ca 0.00 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.81 2krt h PHE 108 Cb 0.00 0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.19 2krt h PHE 108 CO 0.00 -0.08 0.00 1.63 -0.60 0.00 0.00 178.31 179.26 2krt n LYS 109 N -5.18 0.00 -2.68 1.51 4.76 -1.25 -3.98 118.16 111.33 2krt n LYS 109 Ca 0.08 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.47 2krt n LYS 109 Cb 0.32 0.00 0.09 0.00 -1.84 0.00 0.00 35.03 33.59 2krt n LYS 109 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2krt n SER 110 N -2.44 -1.60 -3.83 4.39 3.41 -1.25 -3.04 113.62 109.25 2krt n SER 110 Ca 0.00 -2.22 -0.28 0.00 -0.26 0.00 0.00 58.87 56.12 2krt n SER 110 Cb 0.00 1.14 -0.12 0.00 -0.26 0.00 0.00 64.21 64.97 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 1.06 2.73 0.02 4.04 4.13 -0.21 -4.92 115.26 122.11 2krt n ASN 111 Ca 0.00 -3.15 -0.01 0.00 1.68 0.00 0.00 54.58 53.11 2krt n ASN 111 Cb 0.71 -0.74 -0.01 0.00 -1.54 0.00 0.00 39.78 38.21 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 5.34 -0.07 -0.41 3.52 0.11 -1.77 -3.12 132.00 135.61 2krt h PRO 112 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2krt h PRO 112 Cb 0.76 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.89 2krt h PRO 112 CO 0.69 -0.05 0.00 2.48 -0.21 0.00 0.00 178.00 180.91 2krt n TYR 113 N -2.58 0.55 -0.06 0.65 0.18 -1.26 -3.84 117.16 110.79 2krt n TYR 113 Ca -0.01 -0.28 -0.02 0.00 1.88 0.00 0.00 57.90 59.47 2krt n TYR 113 Cb 0.03 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 38.84 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 0.74 0.00 -4.90 -3.48 4.77 -1.26 -4.58 117.00 108.29 2krt n LEU 114 Ca 0.15 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.79 2krt n LEU 114 Cb 0.37 0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 41.70 2krt n LEU 114 CO 0.10 0.30 -0.16 -0.70 -1.33 0.00 0.00 177.39 175.60 2krt s GLU 115 N -2.79 3.44 0.00 3.23 -6.30 -1.18 -4.55 118.70 110.55 2krt s GLU 115 Ca -0.09 -0.29 0.00 0.00 -2.50 0.00 0.00 54.97 52.10 2krt s GLU 115 Cb 0.08 -3.11 0.00 0.00 0.00 0.00 0.00 34.13 31.10 2krt s GLU 115 CO 0.79 0.69 0.00 0.72 0.02 0.00 0.00 175.26 177.48 2krt n HIS 116 N 1.10 0.00 -1.42 5.30 8.25 -1.26 -4.87 115.22 122.32 2krt n HIS 116 Ca -0.12 0.00 -0.52 0.00 -0.26 0.00 0.00 57.72 56.82 2krt n HIS 116 Cb 0.53 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.56 2krt n HIS 116 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2krt n HIS 117 N 0.00 1.51 -3.77 4.41 -0.00 -1.26 -4.92 115.22 111.19 2krt n HIS 117 Ca 0.00 0.35 -0.13 0.00 -0.00 0.00 0.00 57.72 57.94 2krt n HIS 117 Cb 0.00 -2.50 -0.09 0.00 -0.00 0.00 0.00 29.99 27.40 2krt n HIS 117 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2krt s HIS 118 N 7.26 -0.19 0.32 1.57 2.46 -1.26 -4.87 115.29 120.57 2krt s HIS 118 Ca 1.11 0.32 0.03 0.00 0.47 0.00 0.00 55.06 56.99 2krt s HIS 118 Cb -0.95 0.09 0.60 0.00 -0.13 0.00 0.00 32.58 32.20 2krt s HIS 118 CO 0.51 -0.36 1.92 0.45 -2.47 0.00 0.00 174.74 174.80 2krt h HIS 119 N 4.13 0.96 -2.80 3.88 3.86 -2.04 -3.43 115.15 119.71 2krt h HIS 119 Ca -0.29 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 58.87 2krt h HIS 119 Cb 1.18 -0.31 -0.17 0.00 1.06 0.00 0.00 27.41 29.16 2krt h HIS 119 CO 0.51 0.49 -0.03 -3.38 0.86 0.00 0.00 177.93 176.38 2krt s HIS 120 N -5.83 -0.37 0.00 2.45 0.00 -1.26 -5.33 115.29 104.95 2krt s HIS 120 Ca -0.11 0.44 0.00 0.00 -3.00 0.00 0.00 55.06 52.39 2krt s HIS 120 Cb 0.20 0.28 0.00 0.00 -4.00 0.00 0.00 32.58 29.05 2krt s HIS 120 CO 0.79 -0.58 0.00 1.58 -1.00 0.00 0.00 174.74 175.53