#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 -0.72 -0.02 4.03 2.96 -1.26 -5.18 118.68 118.50 2krt s LEU 2 Ca 0.00 1.43 0.06 0.00 -0.22 0.00 0.00 54.13 55.40 2krt s LEU 2 Cb 0.00 2.43 -0.01 0.00 0.50 0.00 0.00 46.19 49.10 2krt s LEU 2 CO 0.00 -0.25 -0.18 -0.44 -1.32 0.00 0.00 176.35 174.16 2krt s SER 3 N 0.45 2.15 -0.55 3.68 0.01 -1.26 -5.10 113.70 113.08 2krt s SER 3 Ca -0.01 -0.33 -0.07 0.00 1.31 0.00 0.00 55.95 56.86 2krt s SER 3 Cb -0.05 -0.27 0.14 0.00 0.21 0.00 0.00 66.02 66.06 2krt s SER 3 CO -0.00 0.22 0.40 -1.10 0.41 0.00 0.00 173.24 173.17 2krt s GLN 4 N -0.40 2.55 -0.25 12.44 -0.21 -1.26 -4.90 119.66 127.63 2krt s GLN 4 Ca 0.06 -2.11 -0.23 0.00 0.02 0.00 0.00 55.36 53.10 2krt s GLN 4 Cb -0.07 -3.86 0.07 0.00 1.00 0.00 0.00 33.01 30.14 2krt s GLN 4 CO -0.01 -1.18 0.67 0.00 -2.12 0.00 0.00 175.29 172.66 2krt s ALA 5 N 0.72 -1.66 0.21 6.09 0.00 -1.26 -5.05 121.76 120.80 2krt s ALA 5 Ca 0.11 1.90 -0.12 0.00 0.00 0.00 0.00 51.96 53.85 2krt s ALA 5 Cb -0.22 -1.10 0.27 0.00 0.00 0.00 0.00 23.12 22.07 2krt s ALA 5 CO -0.03 -0.32 1.67 -0.91 0.00 0.00 0.00 175.76 176.17 2krt h ASN 6 N 5.09 -0.26 -0.14 0.00 2.35 -2.00 0.89 115.58 121.51 2krt h ASN 6 Ca -0.29 0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.61 2krt h ASN 6 Cb 1.16 0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.78 2krt h ASN 6 CO 0.08 -0.10 0.09 1.05 -1.65 0.00 0.00 177.43 176.89 2krt h GLU 7 N 0.12 0.20 -0.11 0.81 4.11 -1.99 -1.50 114.58 116.21 2krt h GLU 7 Ca 0.30 -0.01 -0.11 0.00 0.07 0.00 0.00 59.36 59.61 2krt h GLU 7 Cb 0.48 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2krt h GLU 7 CO -0.50 0.14 -0.37 0.22 0.07 0.00 0.00 179.01 178.57 2krt h ASP 8 N 0.20 0.52 -0.43 3.06 1.82 -1.26 -1.48 116.42 118.86 2krt h ASP 8 Ca 0.05 -0.61 0.01 0.00 -0.39 0.00 0.00 57.03 56.09 2krt h ASP 8 Cb -0.00 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 39.83 2krt h ASP 8 CO -0.01 1.04 0.27 -0.26 -1.61 0.00 0.00 179.24 178.67 2krt h PHE 9 N 0.02 0.51 -0.29 0.28 0.04 -0.74 -0.12 116.94 116.65 2krt h PHE 9 Ca -0.02 0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 2krt h PHE 9 Cb 1.00 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.97 2krt h PHE 9 CO 0.11 0.31 -0.13 1.57 -0.60 0.00 0.00 178.31 179.57 2krt h LYS 10 N 0.55 0.50 -0.81 1.51 2.10 -1.34 -1.74 116.57 117.34 2krt h LYS 10 Ca 0.16 -0.14 0.06 0.00 -2.00 0.00 0.00 60.65 58.73 2krt h LYS 10 Cb -0.03 -0.05 -0.06 0.00 -0.90 0.00 0.00 32.23 31.19 2krt h LYS 10 CO -0.05 0.62 0.50 -0.22 -2.00 0.00 0.00 179.45 178.30 2krt h LYS 11 N 0.46 0.89 -0.93 0.07 3.11 -0.56 0.11 116.57 119.73 2krt h LYS 11 Ca 0.08 -0.05 0.06 0.00 -2.81 0.00 0.00 60.65 57.93 2krt h LYS 11 Cb 0.50 -0.20 -0.06 0.00 -1.00 0.00 0.00 32.23 31.47 2krt h LYS 11 CO 0.03 0.59 0.59 0.82 -2.81 0.00 0.00 179.45 178.66 2krt h ILE 12 N 0.91 1.06 -0.45 2.00 2.04 -0.16 0.88 117.51 123.79 2krt h ILE 12 Ca 0.35 -0.37 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 2krt h ILE 12 Cb 0.16 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.13 2krt h ILE 12 CO -0.17 0.19 -0.06 0.58 0.00 0.00 0.00 178.15 178.70 2krt h VAL 13 N 1.07 1.25 -0.00 1.67 2.07 -0.81 -2.19 116.25 119.30 2krt h VAL 13 Ca 0.40 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.84 2krt h VAL 13 Cb 0.17 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2krt h VAL 13 CO -0.17 0.38 -0.04 0.59 0.02 0.00 0.00 177.57 178.34 2krt n ASN 14 N -4.19 0.18 -1.02 0.57 5.03 0.32 -3.42 115.26 112.73 2krt n ASN 14 Ca 0.02 -0.36 0.11 0.00 0.87 0.00 0.00 54.58 55.22 2krt n ASN 14 Cb 0.33 -0.18 0.26 0.00 -1.02 0.00 0.00 39.78 39.17 2krt n ASN 14 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2krt n ASN 15 N -1.15 3.02 -4.67 6.41 4.05 0.29 -4.95 115.26 118.27 2krt n ASN 15 Ca 0.15 -1.94 -0.43 0.00 0.45 0.00 0.00 54.58 52.81 2krt n ASN 15 Cb 0.25 -0.26 -0.02 0.00 1.23 0.00 0.00 39.78 40.98 2krt n ASN 15 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2krt s ILE 16 N -1.49 4.65 -0.02 -1.44 1.01 -1.20 -4.85 121.20 117.85 2krt s ILE 16 Ca 0.38 1.97 0.05 0.00 0.00 0.00 0.00 60.65 63.05 2krt s ILE 16 Cb 0.21 -4.27 -0.01 0.00 0.01 0.00 0.00 42.46 38.40 2krt s ILE 16 CO 0.30 -0.13 -0.17 -0.60 0.00 0.00 0.00 174.94 174.34 2krt s ARG 17 N 2.92 1.50 0.00 2.79 6.06 -1.26 -5.00 118.95 125.96 2krt s ARG 17 Ca 0.46 -0.59 0.00 0.00 -2.50 0.00 0.00 55.73 53.10 2krt s ARG 17 Cb -0.17 -1.39 0.00 0.00 0.06 0.00 0.00 34.95 33.46 2krt s ARG 17 CO 0.10 0.31 1.09 1.47 -2.50 0.00 0.00 175.30 175.77 2krt n LEU 18 N 2.86 3.00 0.00 -0.88 -0.00 -1.26 -1.18 117.00 119.54 2krt n LEU 18 Ca -0.16 -1.40 0.00 0.00 -0.00 0.00 0.00 56.01 54.45 2krt n LEU 18 Cb 0.54 -0.59 0.00 0.00 -0.00 0.00 0.00 43.42 43.36 2krt n LEU 18 CO 0.24 0.55 0.00 1.17 -0.00 0.00 0.00 177.39 179.35 2krt n LYS 19 N 1.22 0.00 -0.05 1.47 4.81 -1.10 -4.60 118.16 119.91 2krt n LYS 19 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.22 2krt n LYS 19 Cb 0.35 -0.22 -0.13 0.00 0.02 0.00 0.00 35.03 35.04 2krt n LYS 19 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2krt n ASP 20 N -1.64 2.04 0.10 3.14 2.03 -1.17 -4.63 116.55 116.43 2krt n ASP 20 Ca 0.00 0.20 -0.23 0.00 0.52 0.00 0.00 54.79 55.28 2krt n ASP 20 Cb 0.00 -0.81 -0.15 0.00 -0.72 0.00 0.00 41.12 39.44 2krt n ASP 20 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2krt h THR 21 N -0.22 1.28 -1.94 5.18 2.02 -1.48 -3.45 112.91 114.30 2krt h THR 21 Ca -0.46 -2.61 -0.03 0.00 0.77 0.00 0.00 66.41 64.09 2krt h THR 21 Cb 1.84 3.03 -0.21 0.00 -1.74 0.00 0.00 68.15 71.08 2krt h THR 21 CO -0.03 0.78 0.21 0.72 0.37 0.00 0.00 175.52 177.57 2krt s PHE 22 N -2.54 -0.68 -0.34 3.16 -0.71 -1.14 -1.88 117.98 113.85 2krt s PHE 22 Ca -0.12 1.44 -0.09 0.00 -1.04 0.00 0.00 56.93 57.11 2krt s PHE 22 Cb 0.03 0.35 0.02 0.00 -1.21 0.00 0.00 43.02 42.21 2krt s PHE 22 CO 0.89 -0.47 0.16 0.34 -1.34 0.00 0.00 175.22 174.80 2krt s ASP 23 N -0.42 5.52 -0.09 1.98 2.15 -0.87 -2.71 116.67 122.23 2krt s ASP 23 Ca -0.05 -0.86 -0.20 0.00 0.43 0.00 0.00 52.55 51.87 2krt s ASP 23 Cb -0.02 -1.97 -0.04 0.00 -0.30 0.00 0.00 42.92 40.59 2krt s ASP 23 CO 0.04 -0.30 0.58 0.72 -0.17 0.00 0.00 175.17 176.04 2krt s PHE 24 N 1.53 3.55 -0.14 -5.34 -0.71 -1.26 -1.44 117.98 114.18 2krt s PHE 24 Ca 0.02 1.06 -0.02 0.00 -1.04 0.00 0.00 56.93 56.95 2krt s PHE 24 Cb -0.18 -2.66 -0.02 0.00 -1.21 0.00 0.00 43.02 38.95 2krt s PHE 24 CO 0.05 0.15 -0.08 0.21 -1.34 0.00 0.00 175.22 174.22 2krt s LYS 25 N 0.62 3.49 0.04 1.99 2.20 0.45 -4.90 119.74 123.64 2krt s LYS 25 Ca 0.31 -0.58 -0.30 0.00 -0.36 0.00 0.00 55.97 55.04 2krt s LYS 25 Cb -0.16 -2.78 -0.04 0.00 -1.51 0.00 0.00 37.83 33.33 2krt s LYS 25 CO 0.14 0.27 0.99 -0.51 -0.36 0.00 0.00 175.35 175.87 2krt s LEU 26 N 0.26 4.42 0.41 5.43 2.01 -1.22 -1.01 118.68 128.98 2krt s LEU 26 Ca -0.05 1.73 0.08 0.00 0.01 0.00 0.00 54.13 55.90 2krt s LEU 26 Cb -0.15 -3.58 0.89 0.00 0.01 0.00 0.00 46.19 43.37 2krt s LEU 26 CO 0.04 -0.20 2.04 0.00 1.01 0.00 0.00 176.35 179.24 2krt h ALA 27 N 6.34 1.77 0.00 4.21 0.00 -1.73 -1.36 119.26 128.49 2krt h ALA 27 Ca -0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2krt h ALA 27 Cb 1.22 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2krt h ALA 27 CO 0.74 0.19 -0.66 0.00 0.00 0.00 0.00 179.25 179.52 2krt n ALA 28 N -2.48 3.08 -3.49 0.00 0.00 -1.26 -4.59 120.51 111.76 2krt n ALA 28 Ca 0.05 -0.28 -0.27 0.00 0.00 0.00 0.00 53.44 52.93 2krt n ALA 28 Cb 0.13 -1.14 -0.10 0.00 0.00 0.00 0.00 19.45 18.33 2krt n ALA 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2krt n PHE 29 N -1.98 -0.05 0.33 0.00 3.72 -0.53 -4.99 117.46 113.95 2krt n PHE 29 Ca 0.03 -3.52 0.15 0.00 -0.05 0.00 0.00 57.45 54.07 2krt n PHE 29 Cb 0.42 0.07 0.62 0.00 -0.94 0.00 0.00 39.48 39.66 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 5.55 0.00 0.00 -1.08 0.13 -1.76 -3.06 132.00 131.77 2krt h PRO 30 Ca 0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.37 2krt h PRO 30 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2krt h PRO 30 CO 0.45 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.31 2krt n ASN 31 N -2.73 1.64 -4.92 1.44 5.03 -1.26 -4.87 115.26 109.60 2krt n ASN 31 Ca 0.01 -1.65 -0.27 0.00 0.87 0.00 0.00 54.58 53.54 2krt n ASN 31 Cb 0.26 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.00 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 -0.65 3.56 0.21 3.52 -1.52 -1.16 -5.11 119.66 118.50 2krt s GLN 32 Ca 0.00 -0.20 0.09 0.00 -1.95 0.00 0.00 55.36 53.30 2krt s GLN 32 Cb 0.00 -2.72 -0.05 0.00 -0.22 0.00 0.00 33.01 30.03 2krt s GLN 32 CO 0.00 0.27 -0.17 -0.80 -0.25 0.00 0.00 175.29 174.33 2krt s ASN 33 N -3.37 2.86 0.31 5.90 0.01 -1.26 -4.73 114.94 114.67 2krt s ASN 33 Ca 0.41 -0.97 0.08 0.00 -0.71 0.00 0.00 52.86 51.67 2krt s ASN 33 Cb -0.11 -0.18 0.83 0.00 0.41 0.00 0.00 41.25 42.20 2krt s ASN 33 CO 0.31 -0.07 1.73 0.10 -1.51 0.00 0.00 177.10 177.66 2krt h TYR 34 N 2.72 0.97 0.00 2.20 -0.00 -1.90 0.16 116.97 121.12 2krt h TYR 34 Ca -0.40 0.04 0.00 0.00 0.00 0.00 0.00 58.73 58.37 2krt h TYR 34 Cb 1.22 -0.28 0.00 0.00 0.00 0.00 0.00 36.73 37.68 2krt h TYR 34 CO 0.73 0.08 0.00 -0.40 -0.00 0.00 0.00 178.16 178.57 2krt n ASP 35 N -4.89 0.03 0.00 0.10 5.75 -1.26 -3.39 116.55 112.89 2krt n ASP 35 Ca 0.25 0.50 0.00 0.00 -0.01 0.00 0.00 54.79 55.54 2krt n ASP 35 Cb 0.69 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 2krt n ASP 35 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2krt n GLN 36 N -1.53 4.06 -3.52 0.11 1.13 -0.20 -4.81 117.38 112.62 2krt n GLN 36 Ca 0.05 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.70 2krt n GLN 36 Cb 0.25 -0.62 -0.10 0.00 0.11 0.00 0.00 30.24 29.87 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 -2.05 4.62 0.41 1.08 1.98 0.39 -4.93 118.68 120.18 2krt s LEU 37 Ca 0.00 -0.50 -0.26 0.00 -2.89 0.00 0.00 54.13 50.48 2krt s LEU 37 Cb 0.00 -2.14 -0.09 0.00 0.66 0.00 0.00 46.19 44.62 2krt s LEU 37 CO 0.00 -0.27 1.34 -0.76 -1.89 0.00 0.00 176.35 174.77 2krt s LEU 38 N 1.71 4.21 0.28 -0.68 1.43 -1.26 -4.77 118.68 119.60 2krt s LEU 38 Ca 0.06 2.74 -0.02 0.00 -1.03 0.00 0.00 54.13 55.88 2krt s LEU 38 Cb -0.18 -3.88 0.60 0.00 0.03 0.00 0.00 46.19 42.76 2krt s LEU 38 CO 0.10 -0.91 1.61 -0.65 0.23 0.00 0.00 176.35 176.73 2krt h PRO 39 N 2.65 0.08 -0.46 1.29 0.11 -1.94 -0.64 132.00 133.09 2krt h PRO 39 Ca -0.50 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.67 2krt h PRO 39 Cb 1.25 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 2krt h PRO 39 CO 0.62 0.05 0.16 0.77 -0.21 0.00 0.00 178.00 179.40 2krt h SER 40 N 0.08 0.16 -0.40 -2.05 0.02 -2.00 -0.05 113.55 109.32 2krt h SER 40 Ca 0.51 0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 61.40 2krt h SER 40 Cb 0.98 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.54 2krt h SER 40 CO -0.77 0.13 -0.18 1.56 -1.14 0.00 0.00 176.83 176.42 2krt h GLN 41 N 0.33 0.89 -0.03 3.45 1.08 -1.50 -1.74 115.11 117.59 2krt h GLN 41 Ca 0.22 -0.35 -0.00 0.00 -1.45 0.00 0.00 58.65 57.07 2krt h GLN 41 Cb 0.22 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.60 2krt h GLN 41 CO -0.22 1.00 0.02 0.82 -0.95 0.00 0.00 178.83 179.49 2krt h ILE 42 N 0.78 1.04 -0.41 2.54 2.04 -0.95 0.77 117.51 123.32 2krt h ILE 42 Ca 0.11 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 65.89 2krt h ILE 42 Cb 0.72 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 2krt h ILE 42 CO 0.06 0.03 0.24 0.22 0.00 0.00 0.00 178.15 178.69 2krt h TYR 43 N 0.00 0.45 0.00 1.37 5.03 -0.92 -2.41 116.97 120.49 2krt h TYR 43 Ca 0.01 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.28 2krt h TYR 43 Cb 0.03 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.17 2krt h TYR 43 CO -0.06 0.26 -0.26 0.87 -1.32 0.00 0.00 178.16 177.64 2krt h LYS 44 N 0.48 0.00 0.00 1.82 1.57 -1.25 -2.89 116.57 116.30 2krt h LYS 44 Ca 0.17 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 2krt h LYS 44 Cb 0.02 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 2krt h LYS 44 CO -0.08 0.26 -0.03 -0.97 -0.57 0.00 0.00 179.45 178.06 2krt h ASN 45 N 0.00 0.00 -0.46 0.86 -1.24 -0.31 -2.04 115.58 112.38 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 0.86 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.90 2krt h ASN 45 CO 0.03 0.03 0.45 0.22 -1.29 0.00 0.00 177.43 176.87 2krt h TYR 46 N 0.00 0.00 -0.10 0.67 3.20 -1.47 0.12 116.97 119.39 2krt h TYR 46 Ca -0.00 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.90 2krt h TYR 46 Cb 0.06 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.33 2krt h TYR 46 CO 0.00 0.00 0.07 -0.92 -1.64 0.00 0.00 178.16 175.67 2krt h TYR 47 N 0.00 0.00 0.00 -3.82 3.20 -1.59 -3.19 116.97 111.58 2krt h TYR 47 Ca 0.22 0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.89 2krt h TYR 47 Cb 1.11 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.35 2krt h TYR 47 CO 0.00 0.00 -1.50 1.04 -1.64 0.00 0.00 178.16 176.06 2krt n GLN 48 N -4.48 0.54 0.00 1.82 6.02 0.30 -5.14 117.38 116.44 2krt n GLN 48 Ca -0.01 0.34 0.00 0.00 -0.01 0.00 0.00 57.00 57.33 2krt n GLN 48 Cb 0.19 -1.55 0.00 0.00 1.02 0.00 0.00 30.24 29.90 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 1.41 1.94 2.79 1.08 0.00 -0.40 -5.00 105.19 107.01 2krt n GLY 49 Ca -0.30 -1.78 -0.15 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.54 -0.01 -0.10 -0.61 1.01 -1.26 -2.07 121.20 116.61 2krt s ILE 50 Ca 0.00 0.18 -0.13 0.00 0.00 0.00 0.00 60.65 60.70 2krt s ILE 50 Cb 0.00 -0.11 -0.05 0.00 0.01 0.00 0.00 42.46 42.31 2krt s ILE 50 CO 0.00 0.09 0.31 -1.61 0.00 0.00 0.00 174.94 173.73 2krt s GLU 51 N 0.98 4.02 -0.29 2.79 2.02 -0.18 -4.86 118.70 123.17 2krt s GLU 51 Ca -0.08 0.16 -0.09 0.00 0.02 0.00 0.00 54.97 54.98 2krt s GLU 51 Cb -0.12 -3.32 -0.01 0.00 0.10 0.00 0.00 34.13 30.77 2krt s GLU 51 CO -0.03 0.46 0.13 0.42 0.02 0.00 0.00 175.26 176.27 2krt s ILE 52 N -0.24 4.54 -0.91 -1.63 -1.09 -1.26 -0.41 121.20 120.20 2krt s ILE 52 Ca 0.19 -0.34 -0.22 0.00 -2.23 0.00 0.00 60.65 58.05 2krt s ILE 52 Cb -0.14 -3.26 0.08 0.00 -1.58 0.00 0.00 42.46 37.56 2krt s ILE 52 CO 0.07 0.15 1.24 -1.58 -1.23 0.00 0.00 174.94 173.58 2krt s GLN 53 N 1.62 3.49 0.56 2.79 0.74 -0.52 -4.96 119.66 123.38 2krt s GLN 53 Ca 0.05 -1.26 -0.16 0.00 0.05 0.00 0.00 55.36 54.04 2krt s GLN 53 Cb -0.17 -4.92 -0.05 0.00 1.10 0.00 0.00 33.01 28.97 2krt s GLN 53 CO 0.06 -1.97 1.02 -0.65 -0.55 0.00 0.00 175.29 173.20 2krt s GLN 54 N 4.00 3.60 0.00 1.67 -0.21 -1.26 -2.04 119.66 125.41 2krt s GLN 54 Ca 0.36 1.07 0.00 0.00 0.02 0.00 0.00 55.36 56.81 2krt s GLN 54 Cb -0.05 -2.08 0.00 0.00 1.00 0.00 0.00 33.01 31.88 2krt s GLN 54 CO -0.05 -0.57 0.00 1.58 -2.12 0.00 0.00 175.29 174.14 2krt n HIS 55 N -1.88 -0.50 -2.84 0.91 -0.00 -0.79 -4.94 115.22 105.17 2krt n HIS 55 Ca 0.08 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.83 2krt n HIS 55 Cb 0.53 0.22 -0.04 0.00 -0.12 0.00 0.00 29.99 30.59 2krt n HIS 55 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 2krt s LYS 56 N -1.44 4.01 -1.03 1.57 1.02 -1.20 -4.54 119.74 118.13 2krt s LYS 56 Ca 0.00 0.77 -0.12 0.00 0.02 0.00 0.00 55.97 56.64 2krt s LYS 56 Cb 0.00 -3.73 0.11 0.00 -0.52 0.00 0.00 37.83 33.70 2krt s LYS 56 CO 0.00 -0.74 0.34 0.66 -0.92 0.00 0.00 175.35 174.69 2krt n TYR 57 N 6.40 -1.61 1.02 3.18 4.02 -1.26 -4.74 117.16 124.17 2krt n TYR 57 Ca 0.06 0.37 0.00 0.00 -0.01 0.00 0.00 57.90 58.32 2krt n TYR 57 Cb 0.48 -1.75 0.00 0.00 -0.02 0.00 0.00 39.34 38.05 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 -3.37 0.51 0.10 -0.72 1.13 -1.26 -1.99 117.38 111.78 2krt n GLN 58 Ca 0.04 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 55.07 2krt n GLN 58 Cb 0.49 -1.00 0.02 0.00 0.11 0.00 0.00 30.24 29.86 2krt n GLN 58 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 2krt h ASN 59 N 0.00 0.00 0.00 1.08 4.21 -1.97 -3.38 115.58 115.52 2krt h ASN 59 Ca 0.00 0.00 -0.38 0.00 1.21 0.00 0.00 56.30 57.13 2krt h ASN 59 Cb 0.00 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.14 2krt h ASN 59 CO 0.00 0.80 -2.36 1.21 -1.29 0.00 0.00 177.43 175.78 2krt n GLU 60 N -3.54 0.56 -4.38 0.81 4.07 -0.84 -4.68 120.64 112.64 2krt n GLU 60 Ca -0.00 0.18 -0.27 0.00 -0.06 0.00 0.00 57.16 57.01 2krt n GLU 60 Cb 0.78 -1.44 -0.12 0.00 -0.06 0.00 0.00 31.44 30.60 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 -6.78 2.37 -0.07 4.31 2.34 -1.21 -1.96 118.68 117.68 2krt s LEU 61 Ca -0.33 -0.79 0.01 0.00 0.06 0.00 0.00 54.13 53.07 2krt s LEU 61 Cb 0.10 -1.11 -0.03 0.00 -0.56 0.00 0.00 46.19 44.60 2krt s LEU 61 CO 0.50 0.12 -0.06 -0.62 -1.06 0.00 0.00 176.35 175.22 2krt s ASP 62 N -2.31 4.68 -0.29 1.48 2.15 0.14 -4.15 116.67 118.37 2krt s ASP 62 Ca 0.15 -0.01 -0.06 0.00 0.43 0.00 0.00 52.55 53.06 2krt s ASP 62 Cb -0.09 -1.19 0.02 0.00 -0.30 0.00 0.00 42.92 41.36 2krt s ASP 62 CO 0.07 0.36 0.05 -0.63 -0.17 0.00 0.00 175.17 174.86 2krt s ILE 63 N -0.82 3.72 0.01 4.11 1.01 -1.26 -2.07 121.20 125.89 2krt s ILE 63 Ca 0.13 -0.81 -0.00 0.00 0.00 0.00 0.00 60.65 59.96 2krt s ILE 63 Cb -0.11 -2.94 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 2krt s ILE 63 CO 0.02 0.07 -0.01 -0.54 0.00 0.00 0.00 174.94 174.48 2krt s LYS 64 N 1.45 0.18 -0.09 2.79 1.02 -1.24 -4.82 119.74 119.04 2krt s LYS 64 Ca 0.02 -0.32 -0.06 0.00 0.02 0.00 0.00 55.97 55.63 2krt s LYS 64 Cb -0.17 0.07 -0.04 0.00 -0.52 0.00 0.00 37.83 37.16 2krt s LYS 64 CO 0.01 -0.03 0.15 0.42 -0.92 0.00 0.00 175.35 174.98 2krt s ILE 65 N -0.79 5.47 0.00 2.17 1.01 -1.26 -0.64 121.20 127.16 2krt s ILE 65 Ca -0.09 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.65 2krt s ILE 65 Cb -0.05 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 38.98 2krt s ILE 65 CO -0.00 0.53 0.00 -0.38 0.00 0.00 0.00 174.94 175.09 2krt n ILE 66 N 1.67 0.00 -4.34 2.92 5.41 0.40 -4.92 119.36 120.49 2krt n ILE 66 Ca -0.17 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.29 2krt n ILE 66 Cb 0.54 -0.60 -0.05 0.00 -0.71 0.00 0.00 39.64 38.83 2krt n ILE 66 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 2krt s ASN 67 N -0.18 4.35 -0.09 4.38 0.01 -1.26 -4.95 114.94 117.20 2krt s ASN 67 Ca 0.00 -1.41 0.02 0.00 -0.71 0.00 0.00 52.86 50.76 2krt s ASN 67 Cb 0.00 0.31 0.02 0.00 0.41 0.00 0.00 41.25 41.99 2krt s ASN 67 CO 0.00 -0.89 -0.13 -0.36 -1.51 0.00 0.00 177.10 174.21 2krt s PHE 68 N -2.79 1.71 0.01 2.20 0.08 -1.26 -0.88 117.98 117.04 2krt s PHE 68 Ca 0.22 -0.74 0.03 0.00 0.12 0.00 0.00 56.93 56.55 2krt s PHE 68 Cb 0.01 -1.26 -0.04 0.00 -0.57 0.00 0.00 43.02 41.16 2krt s PHE 68 CO 0.13 -0.40 -0.03 -0.51 -0.10 0.00 0.00 175.22 174.31 2krt s LEU 69 N 0.95 3.35 0.41 -0.37 1.02 0.26 -4.95 118.68 119.35 2krt s LEU 69 Ca -0.08 -0.09 -0.12 0.00 0.02 0.00 0.00 54.13 53.86 2krt s LEU 69 Cb -0.15 -1.94 -0.07 0.00 0.02 0.00 0.00 46.19 44.05 2krt s LEU 69 CO -0.00 0.27 0.80 -0.31 0.02 0.00 0.00 176.35 177.13 2krt s TYR 70 N -1.07 3.45 0.52 0.29 2.02 -1.26 -0.65 117.35 120.66 2krt s TYR 70 Ca 0.19 1.13 0.25 0.00 -0.37 0.00 0.00 57.07 58.27 2krt s TYR 70 Cb -0.11 -2.50 1.38 0.00 -0.40 0.00 0.00 41.96 40.32 2krt s TYR 70 CO 0.10 -0.12 1.98 -1.35 -1.57 0.00 0.00 175.55 174.59 2krt h PRO 71 N 1.34 0.03 0.00 -1.71 0.11 -1.92 -3.39 132.00 126.46 2krt h PRO 71 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2krt h PRO 71 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2krt h PRO 71 CO 0.64 0.02 0.00 -3.47 -0.21 0.00 0.00 178.00 174.98 2krt n ASP 72 N -4.38 0.00 0.00 -2.05 2.03 -1.26 -5.10 116.55 105.80 2krt n ASP 72 Ca 0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.42 2krt n ASP 72 Cb 0.63 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.03 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 3.03 1.23 3.78 0.27 0.00 -1.26 -5.13 105.19 107.11 2krt n GLY 73 Ca 0.00 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 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 7.14 0.19 1.61 2.15 -1.26 -4.93 116.67 121.56 2krt s ASP 74 Ca 0.00 1.97 -0.10 0.00 0.43 0.00 0.00 52.55 54.85 2krt s ASP 74 Cb 0.00 -2.59 0.10 0.00 -0.30 0.00 0.00 42.92 40.13 2krt s ASP 74 CO 0.00 -0.22 1.72 2.19 -0.17 0.00 0.00 175.17 178.69 2krt h PHE 75 N 3.05 1.07 -0.56 -5.34 -0.00 -2.01 -1.15 116.94 112.00 2krt h PHE 75 Ca -0.47 -0.11 -0.05 0.00 -0.00 0.00 0.00 57.97 57.34 2krt h PHE 75 Cb 1.20 -0.31 -0.02 0.00 -0.00 0.00 0.00 35.95 36.82 2krt h PHE 75 CO 0.60 0.86 0.17 0.78 -0.00 0.00 0.00 178.31 180.72 2krt h GLY 76 N 0.96 0.94 1.53 6.09 0.00 -1.99 -0.19 103.07 110.41 2krt h GLY 76 Ca 0.21 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 2krt h GLY 76 CO -0.01 0.52 0.28 0.23 0.00 0.00 0.00 176.54 177.56 2krt h SER 77 N 0.79 0.55 -0.20 0.19 0.87 -1.91 -0.30 113.55 113.53 2krt h SER 77 Ca 0.18 -0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.63 2krt h SER 77 Cb 0.29 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.11 2krt h SER 77 CO -0.01 0.43 -0.20 0.00 -0.53 0.00 0.00 176.83 176.52 2krt h ALA 78 N 1.67 0.29 -0.15 6.23 0.00 -0.67 -2.74 119.26 123.89 2krt h ALA 78 Ca 0.17 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 2krt h ALA 78 Cb -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2krt h ALA 78 CO -0.03 0.23 -0.39 -0.91 0.00 0.00 0.00 179.25 178.15 2krt h ASN 79 N 0.16 0.35 0.55 0.00 2.35 -0.66 0.17 115.58 118.50 2krt h ASN 79 Ca 0.03 -0.14 -0.16 0.00 -0.55 0.00 0.00 56.30 55.48 2krt h ASN 79 Cb 0.75 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 39.01 2krt h ASN 79 CO 0.05 0.71 -0.71 0.07 -1.65 0.00 0.00 177.43 175.90 2krt h LYS 80 N 0.28 0.13 0.02 0.81 2.10 -1.12 -2.34 116.57 116.46 2krt h LYS 80 Ca 0.03 -0.11 -0.00 0.00 -2.00 0.00 0.00 60.65 58.56 2krt h LYS 80 Cb 0.82 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.18 2krt h LYS 80 CO 0.07 0.79 -0.01 -0.97 -2.00 0.00 0.00 179.45 177.32 2krt h ASN 81 N 0.09 -0.03 0.00 7.07 -0.73 -1.30 -3.21 115.58 117.47 2krt h ASN 81 Ca -0.02 -0.36 0.00 0.00 1.87 0.00 0.00 56.30 57.80 2krt h ASN 81 Cb 1.26 0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.85 2krt h ASN 81 CO 0.10 0.64 0.00 0.61 -0.37 0.00 0.00 177.43 178.41 2krt n GLY 82 N 1.59 0.84 3.90 1.57 0.00 0.57 -4.80 105.19 108.86 2krt n GLY 82 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.11 5.43 -0.02 2.61 -4.23 -1.26 -3.84 115.64 112.22 2krt s THR 83 Ca 0.00 -0.13 0.04 0.00 -1.18 0.00 0.00 61.69 60.42 2krt s THR 83 Cb 0.00 -3.54 -0.01 0.00 1.34 0.00 0.00 72.50 70.29 2krt s THR 83 CO 0.00 0.33 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.51 2krt s LEU 84 N -1.91 1.98 -0.45 4.79 1.43 -0.29 -4.23 118.68 120.00 2krt s LEU 84 Ca 0.27 -0.26 -0.20 0.00 -1.03 0.00 0.00 54.13 52.91 2krt s LEU 84 Cb -0.13 -0.74 0.03 0.00 0.03 0.00 0.00 46.19 45.38 2krt s LEU 84 CO 0.18 0.16 0.64 -0.54 0.23 0.00 0.00 176.35 177.02 2krt s LYS 85 N -0.21 3.24 -0.12 1.70 1.02 0.17 -1.93 119.74 123.62 2krt s LYS 85 Ca 0.03 -0.47 -0.28 0.00 0.02 0.00 0.00 55.97 55.26 2krt s LYS 85 Cb -0.07 -3.98 -0.01 0.00 -0.52 0.00 0.00 37.83 33.25 2krt s LYS 85 CO -0.00 -1.05 0.95 -0.51 -0.92 0.00 0.00 175.35 173.81 2krt s LEU 86 N 2.79 4.23 -0.91 3.17 1.02 -0.18 -0.57 118.68 128.24 2krt s LEU 86 Ca 0.21 1.42 -0.21 0.00 0.02 0.00 0.00 54.13 55.58 2krt s LEU 86 Cb -0.15 -3.45 0.10 0.00 0.02 0.00 0.00 46.19 42.71 2krt s LEU 86 CO 0.18 -0.42 1.19 -0.55 0.02 0.00 0.00 176.35 176.77 2krt s SER 87 N 1.10 6.52 -0.02 2.29 0.15 -0.06 -1.77 113.70 121.91 2krt s SER 87 Ca 0.45 -1.70 -0.20 0.00 0.70 0.00 0.00 55.95 55.20 2krt s SER 87 Cb -0.18 -2.45 -0.05 0.00 -1.71 0.00 0.00 66.02 61.63 2krt s SER 87 CO 0.16 -1.25 0.59 -0.76 1.20 0.00 0.00 173.24 173.18 2krt s LEU 88 N 3.54 4.40 -0.47 3.45 1.02 -0.46 -0.46 118.68 129.71 2krt s LEU 88 Ca 0.35 1.13 -0.13 0.00 0.02 0.00 0.00 54.13 55.50 2krt s LEU 88 Cb -0.05 -2.91 0.09 0.00 0.02 0.00 0.00 46.19 43.33 2krt s LEU 88 CO -0.06 0.08 0.36 0.00 0.02 0.00 0.00 176.35 176.75 2krt s MET 89 N -0.07 2.80 -0.38 1.70 0.23 0.19 -1.04 119.30 122.72 2krt s MET 89 Ca 0.31 -1.50 -0.27 0.00 -1.03 0.00 0.00 55.69 53.20 2krt s MET 89 Cb -0.18 -4.02 0.02 0.00 -1.53 0.00 0.00 34.83 29.12 2krt s MET 89 CO 0.17 -1.07 0.99 -0.51 -2.03 0.00 0.00 175.02 172.56 2krt s LEU 90 N 1.53 3.93 -0.21 0.18 2.01 0.22 -3.63 118.68 122.71 2krt s LEU 90 Ca 0.04 0.65 -0.10 0.00 0.01 0.00 0.00 54.13 54.73 2krt s LEU 90 Cb -0.25 -3.36 -0.05 0.00 0.01 0.00 0.00 46.19 42.53 2krt s LEU 90 CO 0.04 -0.93 0.14 -0.89 1.01 0.00 0.00 176.35 175.71 2krt s THR 91 N 3.67 5.39 -0.11 5.49 2.01 -0.88 -0.28 115.64 130.93 2krt s THR 91 Ca 0.41 0.18 -0.29 0.00 0.31 0.00 0.00 61.69 62.30 2krt s THR 91 Cb -0.11 -3.47 -0.06 0.00 0.01 0.00 0.00 72.50 68.86 2krt s THR 91 CO 0.20 0.41 1.95 -0.62 -0.69 0.00 0.00 174.62 175.87 2krt s ASP 92 N 0.56 6.13 0.38 3.53 -1.08 0.16 -0.68 116.67 125.67 2krt s ASP 92 Ca 0.08 2.16 0.28 0.00 -0.52 0.00 0.00 52.55 54.55 2krt s ASP 92 Cb -0.12 -2.52 1.22 0.00 -1.46 0.00 0.00 42.92 40.04 2krt s ASP 92 CO -0.00 -1.38 1.83 0.11 0.52 0.00 0.00 175.17 176.25 2krt h LYS 93 N 11.98 0.00 0.00 4.34 1.79 -1.67 -1.76 116.57 131.24 2krt h LYS 93 Ca -0.43 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 2krt h LYS 93 Cb 1.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 2krt h LYS 93 CO 0.96 0.00 -0.60 1.63 -1.08 0.00 0.00 179.45 180.36 2krt n LYS 94 N -2.56 0.32 0.10 3.15 5.02 -1.26 -4.69 118.16 118.24 2krt n LYS 94 Ca 0.01 0.13 0.13 0.00 -2.02 0.00 0.00 58.31 56.55 2krt n LYS 94 Cb 0.22 -1.03 0.44 0.00 -0.02 0.00 0.00 35.03 34.64 2krt n LYS 94 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2krt n ASN 95 N -3.82 0.70 -3.06 4.39 3.02 -1.25 -4.96 115.26 110.27 2krt n ASN 95 Ca -0.08 0.58 -0.06 0.00 -0.03 0.00 0.00 54.58 54.99 2krt n ASN 95 Cb 0.31 -0.76 0.03 0.00 -0.61 0.00 0.00 39.78 38.75 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 -2.17 -7.09 -4.37 6.41 3.02 -0.66 -5.03 115.26 105.36 2krt n ASN 96 Ca 0.05 -0.31 -0.19 0.00 -0.03 0.00 0.00 54.58 54.10 2krt n ASN 96 Cb 0.39 -5.06 -0.10 0.00 -0.61 0.00 0.00 39.78 34.39 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 -3.53 1.41 -0.05 3.52 -1.52 -1.25 -4.92 119.66 113.33 2krt s GLN 97 Ca 0.17 -1.69 0.03 0.00 -1.95 0.00 0.00 55.36 51.92 2krt s GLN 97 Cb -0.02 -0.96 -0.03 0.00 -0.22 0.00 0.00 33.01 31.78 2krt s GLN 97 CO 0.71 0.03 -0.11 0.54 -0.25 0.00 0.00 175.29 176.21 2krt s VAL 98 N -3.14 3.36 0.05 1.09 0.11 -1.26 -0.66 120.40 119.95 2krt s VAL 98 Ca 0.27 -0.65 0.04 0.00 -2.93 0.00 0.00 61.98 58.71 2krt s VAL 98 Cb 0.03 -2.36 -0.02 0.00 -1.53 0.00 0.00 36.38 32.50 2krt s VAL 98 CO 0.09 0.57 -0.12 -0.47 -3.33 0.00 0.00 175.10 171.84 2krt s TYR 99 N -0.80 1.04 -0.02 1.54 5.04 0.62 -4.97 117.35 119.79 2krt s TYR 99 Ca 0.12 -0.41 0.06 0.00 -2.44 0.00 0.00 57.07 54.41 2krt s TYR 99 Cb -0.11 -0.60 -0.03 0.00 0.35 0.00 0.00 41.96 41.57 2krt s TYR 99 CO 0.02 0.01 -0.19 0.71 -1.34 0.00 0.00 175.55 174.76 2krt s TYR 100 N -1.07 2.54 -0.12 4.97 2.02 -1.26 0.73 117.35 125.15 2krt s TYR 100 Ca -0.02 -0.28 -0.05 0.00 -0.37 0.00 0.00 57.07 56.35 2krt s TYR 100 Cb -0.09 -1.55 0.06 0.00 -0.40 0.00 0.00 41.96 39.98 2krt s TYR 100 CO 0.01 0.12 0.26 0.21 -1.57 0.00 0.00 175.55 174.58 2krt s LYS 101 N -0.83 0.16 -0.34 -0.62 2.47 -0.21 -4.96 119.74 115.42 2krt s LYS 101 Ca 0.12 0.70 -0.18 0.00 -1.56 0.00 0.00 55.97 55.05 2krt s LYS 101 Cb -0.10 -0.05 -0.01 0.00 -1.46 0.00 0.00 37.83 36.20 2krt s LYS 101 CO 0.01 -0.26 0.50 -0.51 0.16 0.00 0.00 175.35 175.25 2krt s LEU 102 N 2.16 4.31 -0.36 5.43 2.01 -1.26 -1.36 118.68 129.61 2krt s LEU 102 Ca -0.01 0.03 -0.09 0.00 0.01 0.00 0.00 54.13 54.06 2krt s LEU 102 Cb -0.12 -2.58 0.03 0.00 0.01 0.00 0.00 46.19 43.53 2krt s LEU 102 CO -0.09 -0.45 0.17 -0.76 1.01 0.00 0.00 176.35 176.24 2krt s LEU 103 N 2.36 4.55 -0.52 1.79 1.43 -0.73 -4.87 118.68 122.69 2krt s LEU 103 Ca 0.19 -1.01 -0.21 0.00 -1.03 0.00 0.00 54.13 52.07 2krt s LEU 103 Cb -0.15 -1.97 0.05 0.00 0.03 0.00 0.00 46.19 44.15 2krt s LEU 103 CO 0.13 -0.35 0.72 -1.83 0.23 0.00 0.00 176.35 175.24 2krt s GLU 104 N 1.51 3.19 0.19 1.70 -1.05 -1.25 -1.01 118.70 121.97 2krt s GLU 104 Ca 0.01 -0.69 0.11 0.00 -0.15 0.00 0.00 54.97 54.25 2krt s GLU 104 Cb -0.19 -4.08 -0.04 0.00 -0.44 0.00 0.00 34.13 29.37 2krt s GLU 104 CO 0.05 -1.30 -0.23 0.14 0.95 0.00 0.00 175.26 174.88 2krt s VAL 105 N 3.03 2.24 0.31 1.83 -7.23 -0.81 -4.83 120.40 114.94 2krt s VAL 105 Ca 0.20 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.41 2krt s VAL 105 Cb -0.17 -2.06 0.04 0.00 0.56 0.00 0.00 36.38 34.75 2krt s VAL 105 CO 0.14 -0.15 0.33 -0.24 -0.31 0.00 0.00 175.10 174.88 2krt n SER 106 N 0.29 1.52 0.00 4.85 2.88 -1.26 -1.13 113.62 120.77 2krt n SER 106 Ca -0.13 -1.92 0.00 0.00 -1.33 0.00 0.00 58.87 55.49 2krt n SER 106 Cb 0.56 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 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 1.28 1.99 0.08 0.46 0.00 -1.25 -4.97 105.19 102.78 2krt n GLY 107 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 0.16 -2.49 1.61 0.04 -1.79 -3.41 116.94 111.06 2krt h PHE 108 Ca 0.00 -0.04 0.15 0.00 2.80 0.00 0.00 57.97 60.88 2krt h PHE 108 Cb 0.00 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.06 2krt h PHE 108 CO 0.00 0.52 0.52 0.21 -0.60 0.00 0.00 178.31 178.95 2krt s LYS 109 N -4.55 1.34 -0.35 1.51 2.47 -1.26 -4.90 119.74 114.00 2krt s LYS 109 Ca -0.15 -0.82 -0.02 0.00 -1.56 0.00 0.00 55.97 53.42 2krt s LYS 109 Cb 0.04 0.41 0.19 0.00 -1.46 0.00 0.00 37.83 37.00 2krt s LYS 109 CO 0.70 -0.62 0.86 -1.54 0.16 0.00 0.00 175.35 174.91 2krt s SER 110 N -3.17 -0.87 -0.52 1.43 1.04 -1.24 -4.00 113.70 106.37 2krt s SER 110 Ca 0.17 -0.36 0.05 0.00 0.48 0.00 0.00 55.95 56.29 2krt s SER 110 Cb -0.02 1.18 0.18 0.00 0.10 0.00 0.00 66.02 67.45 2krt s SER 110 CO 0.05 -0.11 0.41 0.59 0.98 0.00 0.00 173.24 175.16 2krt n ASN 111 N 4.20 0.84 0.42 7.02 5.03 -0.88 -4.98 115.26 126.91 2krt n ASN 111 Ca 0.08 -2.70 -0.17 0.00 0.87 0.00 0.00 54.58 52.66 2krt n ASN 111 Cb 0.60 -0.63 -0.08 0.00 -1.02 0.00 0.00 39.78 38.65 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 5.42 -1.04 -0.38 3.52 0.13 -1.83 -3.33 132.00 134.49 2krt h PRO 112 Ca 0.22 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.42 2krt h PRO 112 Cb 0.85 0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2krt h PRO 112 CO 0.50 -0.69 0.00 2.48 -0.23 0.00 0.00 178.00 180.06 2krt n TYR 113 N -5.23 0.50 0.85 1.56 0.18 -1.26 -4.46 117.16 109.30 2krt n TYR 113 Ca -0.13 -0.35 0.11 0.00 1.88 0.00 0.00 57.90 59.41 2krt n TYR 113 Cb 0.43 -0.01 0.29 0.00 -0.38 0.00 0.00 39.34 39.67 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 1.02 2.47 0.00 -3.48 4.77 -1.25 -4.08 117.00 116.45 2krt n LEU 114 Ca 0.15 -1.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.10 2krt n LEU 114 Cb 0.49 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2krt n LEU 114 CO 0.12 0.52 0.00 1.21 -1.33 0.00 0.00 177.39 177.90 2krt n GLU 115 N 0.85 0.00 -3.45 3.23 2.13 -1.25 -4.94 120.64 117.21 2krt n GLU 115 Ca 0.17 0.08 -0.25 0.00 0.66 0.00 0.00 57.16 57.83 2krt n GLU 115 Cb 0.46 -0.50 -0.11 0.00 0.27 0.00 0.00 31.44 31.55 2krt n GLU 115 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2krt s HIS 116 N -0.21 0.26 -1.57 4.31 3.76 -1.26 -5.06 115.29 115.52 2krt s HIS 116 Ca 0.00 -1.11 -0.10 0.00 -0.15 0.00 0.00 55.06 53.71 2krt s HIS 116 Cb 0.00 -0.74 -0.08 0.00 1.11 0.00 0.00 32.58 32.86 2krt s HIS 116 CO 0.00 -0.87 2.95 -2.39 -0.85 0.00 0.00 174.74 173.58 2krt n HIS 117 N 4.52 2.38 -2.49 1.40 1.44 -1.26 -4.92 115.22 116.29 2krt n HIS 117 Ca 0.06 -3.05 -0.43 0.00 -2.01 0.00 0.00 57.72 52.29 2krt n HIS 117 Cb 0.41 -2.44 -0.02 0.00 0.12 0.00 0.00 29.99 28.06 2krt n HIS 117 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2krt s HIS 118 N 1.94 2.73 -0.10 -1.40 3.76 -1.26 -4.98 115.29 115.98 2krt s HIS 118 Ca 0.69 0.84 -0.30 0.00 -0.15 0.00 0.00 55.06 56.14 2krt s HIS 118 Cb 0.18 -4.11 0.07 0.00 1.11 0.00 0.00 32.58 29.84 2krt s HIS 118 CO -0.06 -1.50 0.71 -3.38 -0.85 0.00 0.00 174.74 169.66 2krt s HIS 119 N 4.53 -0.66 0.13 1.40 -3.43 -1.26 -5.16 115.29 110.84 2krt s HIS 119 Ca 0.53 1.22 -0.30 0.00 -0.80 0.00 0.00 55.06 55.72 2krt s HIS 119 Cb -0.13 0.39 -0.07 0.00 -1.43 0.00 0.00 32.58 31.35 2krt s HIS 119 CO 0.26 -0.55 1.06 -1.01 -2.00 0.00 0.00 174.74 172.50 2krt s HIS 120 N -0.92 3.66 -2.00 0.38 3.76 -1.26 -5.33 115.29 113.58 2krt s HIS 120 Ca -0.08 1.64 0.25 0.00 -0.15 0.00 0.00 55.06 56.72 2krt s HIS 120 Cb -0.01 -3.21 1.49 0.00 1.11 0.00 0.00 32.58 31.97 2krt s HIS 120 CO 0.08 -0.36 1.85 -2.39 -0.85 0.00 0.00 174.74 173.06