#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 3.65 0.25 4.03 2.01 -1.26 -4.96 118.68 122.40 2krt s LEU 2 Ca 0.00 2.36 -0.30 0.00 0.01 0.00 0.00 54.13 56.21 2krt s LEU 2 Cb 0.00 -4.60 -0.10 0.00 0.01 0.00 0.00 46.19 41.51 2krt s LEU 2 CO 0.00 -1.60 1.34 -0.55 1.01 0.00 0.00 176.35 176.56 2krt s SER 3 N -1.65 6.80 0.00 2.29 0.15 -1.26 -4.89 113.70 115.14 2krt s SER 3 Ca 0.77 2.55 0.19 0.00 0.70 0.00 0.00 55.95 60.16 2krt s SER 3 Cb -0.30 -2.62 1.00 0.00 -1.71 0.00 0.00 66.02 62.39 2krt s SER 3 CO 0.33 -0.57 1.57 0.00 1.20 0.00 0.00 173.24 175.77 2krt n GLN 4 N 2.04 0.35 -2.78 5.44 10.64 -1.26 -4.56 117.38 127.25 2krt n GLN 4 Ca 0.05 0.08 -0.34 0.00 -1.83 0.00 0.00 57.00 54.95 2krt n GLN 4 Cb 0.42 -1.50 -0.06 0.00 -0.86 0.00 0.00 30.24 28.23 2krt n GLN 4 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2krt s ALA 5 N -2.43 3.09 0.54 2.61 0.00 -1.26 -4.96 121.76 119.35 2krt s ALA 5 Ca 0.21 0.47 0.28 0.00 0.00 0.00 0.00 51.96 52.91 2krt s ALA 5 Cb 0.13 -3.17 1.69 0.00 0.00 0.00 0.00 23.12 21.77 2krt s ALA 5 CO 0.27 0.11 2.20 -0.91 0.00 0.00 0.00 175.76 177.43 2krt h ASN 6 N 2.33 0.00 -0.10 0.00 -0.26 -2.00 -1.17 115.58 114.38 2krt h ASN 6 Ca -0.48 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.25 2krt h ASN 6 Cb 1.19 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.44 2krt h ASN 6 CO 0.62 0.03 0.06 1.05 -1.06 0.00 0.00 177.43 178.13 2krt h GLU 7 N 0.00 0.16 0.04 0.81 4.11 -1.92 -0.02 114.58 117.76 2krt h GLU 7 Ca -0.00 -0.01 -0.11 0.00 0.07 0.00 0.00 59.36 59.31 2krt h GLU 7 Cb 0.09 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.31 2krt h GLU 7 CO 0.00 0.13 -0.46 0.22 0.07 0.00 0.00 179.01 178.97 2krt h ASP 8 N 0.16 0.33 -0.97 3.06 1.82 -1.46 -3.28 116.42 116.07 2krt h ASP 8 Ca 0.04 -0.86 0.03 0.00 -0.39 0.00 0.00 57.03 55.85 2krt h ASP 8 Cb 0.02 -0.10 -0.05 0.00 0.68 0.00 0.00 39.33 39.87 2krt h ASP 8 CO -0.01 1.15 0.64 -0.26 -1.61 0.00 0.00 179.24 179.15 2krt h PHE 9 N -0.45 1.20 -0.68 0.28 -1.00 -1.41 -1.05 116.94 113.83 2krt h PHE 9 Ca -0.07 0.03 0.06 0.00 2.81 0.00 0.00 57.97 60.80 2krt h PHE 9 Cb 1.26 -0.40 -0.04 0.00 3.61 0.00 0.00 35.95 40.37 2krt h PHE 9 CO 0.19 0.72 0.45 1.57 -1.61 0.00 0.00 178.31 179.63 2krt h LYS 10 N 1.26 0.69 0.11 1.51 2.10 -1.13 0.15 116.57 121.26 2krt h LYS 10 Ca 0.37 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.98 2krt h LYS 10 Cb -0.06 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 31.12 2krt h LYS 10 CO -0.11 0.46 -0.05 -0.22 -2.00 0.00 0.00 179.45 177.53 2krt h LYS 11 N 0.72 -0.14 -0.94 0.07 3.64 -1.30 -1.90 116.57 116.71 2krt h LYS 11 Ca 0.29 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.82 2krt h LYS 11 Cb 0.24 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.00 2krt h LYS 11 CO -0.09 0.12 0.56 0.82 -2.27 0.00 0.00 179.45 178.59 2krt h ILE 12 N -0.40 0.84 -0.58 2.00 2.04 -0.28 0.55 117.51 121.69 2krt h ILE 12 Ca -0.01 -0.29 -0.06 0.00 1.00 0.00 0.00 64.86 65.50 2krt h ILE 12 Cb 0.33 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 2krt h ILE 12 CO 0.02 0.15 0.13 0.58 0.00 0.00 0.00 178.15 179.04 2krt h VAL 13 N 0.85 1.25 -0.00 1.67 2.07 -0.67 -2.04 116.25 119.38 2krt h VAL 13 Ca 0.49 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2krt h VAL 13 Cb 0.57 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2krt h VAL 13 CO -0.30 0.34 -0.04 0.59 0.02 0.00 0.00 177.57 178.18 2krt n ASN 14 N -4.37 0.24 -1.15 0.57 3.02 -0.54 -2.89 115.26 110.14 2krt n ASN 14 Ca 0.03 -0.61 0.11 0.00 -0.03 0.00 0.00 54.58 54.08 2krt n ASN 14 Cb 0.24 -0.12 0.27 0.00 -0.61 0.00 0.00 39.78 39.57 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 -1.01 3.37 -4.55 6.41 5.03 0.18 -4.90 115.26 119.79 2krt n ASN 15 Ca 0.17 -1.98 -0.34 0.00 0.87 0.00 0.00 54.58 53.31 2krt n ASN 15 Cb 0.22 -0.36 -0.04 0.00 -1.02 0.00 0.00 39.78 38.59 2krt n ASN 15 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2krt s ILE 16 N -1.29 3.33 -0.07 2.41 1.01 -1.03 -4.80 121.20 120.76 2krt s ILE 16 Ca 0.42 0.01 -0.09 0.00 0.00 0.00 0.00 60.65 60.99 2krt s ILE 16 Cb 0.22 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 2krt s ILE 16 CO 0.30 -0.79 0.22 -0.60 0.00 0.00 0.00 174.94 174.07 2krt s ARG 17 N 7.24 3.57 0.00 2.79 6.06 -1.26 -4.98 118.95 132.36 2krt s ARG 17 Ca 0.72 -0.01 -0.01 0.00 -2.50 0.00 0.00 55.73 53.93 2krt s ARG 17 Cb -0.11 -3.18 -0.05 0.00 0.06 0.00 0.00 34.95 31.66 2krt s ARG 17 CO 0.14 0.74 1.61 1.47 -2.50 0.00 0.00 175.30 176.76 2krt n LEU 18 N 1.78 3.23 0.11 -0.88 -0.00 -1.26 -2.04 117.00 117.94 2krt n LEU 18 Ca -0.17 -1.69 0.00 0.00 -0.00 0.00 0.00 56.01 54.15 2krt n LEU 18 Cb 0.54 -0.75 0.00 0.00 -0.00 0.00 0.00 43.42 43.21 2krt n LEU 18 CO 0.34 0.69 0.00 1.17 -0.00 0.00 0.00 177.39 179.59 2krt n LYS 19 N 2.03 0.00 -0.15 1.47 3.00 -1.05 -4.42 118.16 119.04 2krt n LYS 19 Ca 0.09 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.30 2krt n LYS 19 Cb 0.39 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.41 2krt n LYS 19 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2krt h ASP 20 N 0.00 0.64 0.04 3.14 1.82 -1.96 -3.33 116.42 116.76 2krt h ASP 20 Ca 0.00 -0.22 -0.00 0.00 -0.39 0.00 0.00 57.03 56.42 2krt h ASP 20 Cb 0.00 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 39.84 2krt h ASP 20 CO 0.00 0.68 -0.02 0.74 -1.61 0.00 0.00 179.24 179.04 2krt h THR 21 N 0.56 0.95 -1.71 2.25 2.02 -1.69 -3.40 112.91 111.89 2krt h THR 21 Ca 0.14 -1.60 0.03 0.00 0.77 0.00 0.00 66.41 65.75 2krt h THR 21 Cb 0.28 1.76 -0.25 0.00 -1.74 0.00 0.00 68.15 68.21 2krt h THR 21 CO -0.00 0.31 0.37 0.72 0.37 0.00 0.00 175.52 177.28 2krt s PHE 22 N -2.25 -0.56 -0.20 3.16 -0.71 -1.11 -0.13 117.98 116.18 2krt s PHE 22 Ca -0.11 1.36 -0.21 0.00 -1.04 0.00 0.00 56.93 56.93 2krt s PHE 22 Cb -0.01 0.34 -0.02 0.00 -1.21 0.00 0.00 43.02 42.12 2krt s PHE 22 CO 0.40 -0.27 0.66 -0.51 -1.34 0.00 0.00 175.22 174.16 2krt s ASP 23 N 0.29 6.71 -0.22 1.98 1.01 -0.87 -2.52 116.67 123.05 2krt s ASP 23 Ca 0.02 0.87 -0.19 0.00 0.71 0.00 0.00 52.55 53.96 2krt s ASP 23 Cb -0.05 -2.36 -0.03 0.00 1.01 0.00 0.00 42.92 41.49 2krt s ASP 23 CO -0.05 -0.30 0.57 0.72 0.21 0.00 0.00 175.17 176.32 2krt s PHE 24 N 2.01 3.33 -0.12 4.23 -0.71 -1.26 -0.65 117.98 124.81 2krt s PHE 24 Ca 0.30 0.79 -0.05 0.00 -1.04 0.00 0.00 56.93 56.93 2krt s PHE 24 Cb -0.16 -2.75 -0.04 0.00 -1.21 0.00 0.00 43.02 38.87 2krt s PHE 24 CO 0.10 -0.20 0.08 0.21 -1.34 0.00 0.00 175.22 174.07 2krt s LYS 25 N 2.02 3.40 0.05 1.99 2.20 0.18 -4.92 119.74 124.66 2krt s LYS 25 Ca 0.25 -0.26 -0.23 0.00 -0.36 0.00 0.00 55.97 55.37 2krt s LYS 25 Cb -0.16 -3.07 -0.06 0.00 -1.51 0.00 0.00 37.83 33.04 2krt s LYS 25 CO 0.09 0.65 0.69 -0.51 -0.36 0.00 0.00 175.35 175.91 2krt s LEU 26 N -0.70 4.46 0.13 5.43 2.01 -1.26 -1.51 118.68 127.25 2krt s LEU 26 Ca 0.12 1.35 -0.05 0.00 0.01 0.00 0.00 54.13 55.56 2krt s LEU 26 Cb -0.12 -3.10 -0.10 0.00 0.01 0.00 0.00 46.19 42.89 2krt s LEU 26 CO 0.03 0.10 1.31 0.00 1.01 0.00 0.00 176.35 178.79 2krt h ALA 27 N 5.37 0.36 -0.15 4.21 0.00 -1.88 -3.01 119.26 124.16 2krt h ALA 27 Ca -0.45 -0.70 -0.20 0.00 0.00 0.00 0.00 54.91 53.56 2krt h ALA 27 Cb 1.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2krt h ALA 27 CO 0.69 0.80 -0.71 0.00 0.00 0.00 0.00 179.25 180.03 2krt h ALA 28 N 0.72 0.46 -2.87 0.00 0.00 -1.91 -3.38 119.26 112.29 2krt h ALA 28 Ca -0.08 -0.58 -0.61 0.00 0.00 0.00 0.00 54.91 53.64 2krt h ALA 28 Cb 1.56 -0.04 -0.41 0.00 0.00 0.00 0.00 17.79 18.89 2krt h ALA 28 CO 0.16 0.71 -0.63 1.19 0.00 0.00 0.00 179.25 180.68 2krt n PHE 29 N -3.92 2.76 0.45 0.00 3.72 -1.24 -4.94 117.46 114.29 2krt n PHE 29 Ca -0.06 -4.17 0.13 0.00 -0.05 0.00 0.00 57.45 53.31 2krt n PHE 29 Cb 0.70 -0.51 0.45 0.00 -0.94 0.00 0.00 39.48 39.18 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 5.24 0.00 -0.35 -1.08 0.13 -1.71 -3.16 132.00 131.07 2krt h PRO 30 Ca 0.17 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.27 2krt h PRO 30 Cb 0.76 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.88 2krt h PRO 30 CO 0.69 0.00 0.01 0.09 -0.23 0.00 0.00 178.00 178.56 2krt n ASN 31 N -2.45 4.14 -4.74 1.44 3.02 -1.26 -4.93 115.26 110.48 2krt n ASN 31 Ca 0.03 -3.07 -0.23 0.00 -0.03 0.00 0.00 54.58 51.28 2krt n ASN 31 Cb 0.35 -0.59 -0.06 0.00 -0.61 0.00 0.00 39.78 38.87 2krt n ASN 31 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2krt s GLN 32 N -2.86 2.32 -0.03 3.52 -1.52 -1.19 -5.14 119.66 114.74 2krt s GLN 32 Ca 0.45 -1.66 0.04 0.00 -1.95 0.00 0.00 55.36 52.25 2krt s GLN 32 Cb 0.36 -2.11 -0.00 0.00 -0.22 0.00 0.00 33.01 31.04 2krt s GLN 32 CO 0.10 0.01 -0.15 -0.80 -0.25 0.00 0.00 175.29 174.20 2krt s ASN 33 N -3.88 1.91 0.55 5.90 0.01 -1.26 -4.93 114.94 113.23 2krt s ASN 33 Ca 0.39 -0.31 0.25 0.00 -0.71 0.00 0.00 52.86 52.49 2krt s ASN 33 Cb -0.00 -0.45 1.44 0.00 0.41 0.00 0.00 41.25 42.64 2krt s ASN 33 CO 0.23 0.15 2.04 0.10 -1.51 0.00 0.00 177.10 178.11 2krt h TYR 34 N 6.16 0.00 0.00 2.20 -0.00 -1.91 -1.04 116.97 122.38 2krt h TYR 34 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.40 2krt h TYR 34 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.90 2krt h TYR 34 CO 0.43 0.00 0.00 -0.40 -0.00 0.00 0.00 178.16 178.19 2krt n ASP 35 N -4.24 0.00 0.00 0.10 5.75 -1.26 -3.08 116.55 113.82 2krt n ASP 35 Ca 0.06 -0.42 0.00 0.00 -0.01 0.00 0.00 54.79 54.42 2krt n ASP 35 Cb 0.46 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 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 -1.10 0.68 -3.49 0.11 10.64 -0.50 -4.51 117.38 119.20 2krt n GLN 36 Ca 0.13 -0.01 -0.37 0.00 -1.83 0.00 0.00 57.00 54.92 2krt n GLN 36 Cb 0.10 -0.17 -0.08 0.00 -0.86 0.00 0.00 30.24 29.23 2krt n GLN 36 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 2krt s LEU 37 N -0.20 4.19 0.29 2.61 1.98 -0.55 -5.01 118.68 121.99 2krt s LEU 37 Ca 0.00 0.45 -0.29 0.00 -2.89 0.00 0.00 54.13 51.40 2krt s LEU 37 Cb 0.00 -2.39 -0.10 0.00 0.66 0.00 0.00 46.19 44.36 2krt s LEU 37 CO 0.00 0.02 1.34 -0.76 -1.89 0.00 0.00 176.35 175.06 2krt s LEU 38 N 0.92 4.41 0.54 -0.68 2.01 -1.26 -4.85 118.68 119.77 2krt s LEU 38 Ca 0.16 2.64 0.26 0.00 0.01 0.00 0.00 54.13 57.20 2krt s LEU 38 Cb -0.14 -3.64 1.43 0.00 0.01 0.00 0.00 46.19 43.85 2krt s LEU 38 CO 0.06 -0.58 2.00 1.55 1.01 0.00 0.00 176.35 180.39 2krt h PRO 39 N 4.11 0.00 -0.03 1.29 0.13 -1.97 -0.97 132.00 134.57 2krt h PRO 39 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2krt h PRO 39 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 2krt h PRO 39 CO 0.70 0.00 0.01 0.66 -0.23 0.00 0.00 178.00 179.15 2krt h SER 40 N 0.00 0.03 -0.06 1.44 4.64 -1.99 0.34 113.55 117.96 2krt h SER 40 Ca 0.23 -0.11 -0.08 0.00 -0.47 0.00 0.00 61.79 61.36 2krt h SER 40 Cb 0.96 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 2krt h SER 40 CO -0.00 0.13 -0.21 1.56 -0.87 0.00 0.00 176.83 177.44 2krt h GLN 41 N -0.07 0.45 -0.18 4.77 4.20 -1.60 -1.67 115.11 121.01 2krt h GLN 41 Ca 0.01 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 2krt h GLN 41 Cb 0.11 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 2krt h GLN 41 CO -0.00 0.64 0.11 0.82 -0.67 0.00 0.00 178.83 179.73 2krt h ILE 42 N 0.41 1.07 -0.02 2.54 2.04 -1.04 -2.72 117.51 119.79 2krt h ILE 42 Ca 0.07 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 2krt h ILE 42 Cb 0.60 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2krt h ILE 42 CO 0.04 0.06 -0.22 0.22 0.00 0.00 0.00 178.15 178.26 2krt h TYR 43 N 0.23 0.04 0.00 1.37 3.20 -0.68 -1.64 116.97 119.49 2krt h TYR 43 Ca 0.07 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 2krt h TYR 43 Cb 0.01 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.26 2krt h TYR 43 CO -0.06 0.26 -0.05 0.87 -1.64 0.00 0.00 178.16 177.55 2krt h LYS 44 N 0.04 0.00 0.00 1.82 1.79 -0.99 -0.55 116.57 118.67 2krt h LYS 44 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2krt h LYS 44 Cb 0.41 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 2krt h LYS 44 CO 0.03 0.05 0.00 -1.71 -1.08 0.00 0.00 179.45 176.73 2krt n ASN 45 N -3.44 0.47 0.18 0.86 5.15 -0.61 -2.77 115.26 115.09 2krt n ASN 45 Ca -0.02 0.59 0.16 0.00 -0.60 0.00 0.00 54.58 54.71 2krt n ASN 45 Cb 0.17 -0.70 0.77 0.00 -0.53 0.00 0.00 39.78 39.49 2krt n ASN 45 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 2krt h TYR 46 N 0.00 0.00 0.00 1.20 3.20 -1.19 0.15 116.97 120.32 2krt h TYR 46 Ca 0.00 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.74 2krt h TYR 46 Cb 0.44 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 2krt h TYR 46 CO 0.00 0.00 -0.60 1.88 -1.64 0.00 0.00 178.16 177.80 2krt h TYR 47 N 0.00 0.00 0.00 -3.82 -1.99 -1.71 -3.40 116.97 106.05 2krt h TYR 47 Ca 0.10 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.80 2krt h TYR 47 Cb 0.49 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.22 2krt h TYR 47 CO 0.00 0.60 -0.79 1.04 -0.00 0.00 0.00 178.16 179.00 2krt n GLN 48 N -3.38 0.49 0.00 4.88 1.13 0.28 -5.10 117.38 115.68 2krt n GLN 48 Ca 0.01 0.42 0.00 0.00 -1.94 0.00 0.00 57.00 55.49 2krt n GLN 48 Cb 0.72 -1.61 0.00 0.00 0.11 0.00 0.00 30.24 29.46 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 1.54 3.84 3.65 1.08 0.00 0.13 -5.00 105.19 110.44 2krt n GLY 49 Ca -0.13 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 5.19 -0.09 -0.61 1.01 -1.26 -3.22 121.20 122.22 2krt s ILE 50 Ca 0.00 0.67 -0.11 0.00 0.00 0.00 0.00 60.65 61.21 2krt s ILE 50 Cb 0.00 -3.72 -0.05 0.00 0.01 0.00 0.00 42.46 38.70 2krt s ILE 50 CO 0.00 0.22 0.26 -1.61 0.00 0.00 0.00 174.94 173.81 2krt s GLU 51 N 1.58 3.77 -0.26 2.79 2.02 -0.57 -4.95 118.70 123.09 2krt s GLU 51 Ca 0.18 0.10 -0.08 0.00 0.02 0.00 0.00 54.97 55.18 2krt s GLU 51 Cb -0.15 -3.25 -0.03 0.00 0.10 0.00 0.00 34.13 30.80 2krt s GLU 51 CO 0.08 0.64 0.10 0.42 0.02 0.00 0.00 175.26 176.53 2krt s ILE 52 N -0.75 4.55 -1.02 -1.63 -1.09 -1.26 -0.65 121.20 119.35 2krt s ILE 52 Ca 0.18 -0.13 -0.11 0.00 -2.23 0.00 0.00 60.65 58.36 2krt s ILE 52 Cb -0.14 -3.16 0.25 0.00 -1.58 0.00 0.00 42.46 37.83 2krt s ILE 52 CO 0.07 0.29 1.02 -1.58 -1.23 0.00 0.00 174.94 173.51 2krt s GLN 53 N 1.64 3.97 0.19 2.79 2.00 0.18 -4.99 119.66 125.44 2krt s GLN 53 Ca 0.06 -2.86 -0.32 0.00 -2.00 0.00 0.00 55.36 50.24 2krt s GLN 53 Cb -0.15 -4.56 -0.11 0.00 0.80 0.00 0.00 33.01 28.98 2krt s GLN 53 CO 0.05 -1.31 1.70 1.14 -0.50 0.00 0.00 175.29 176.37 2krt s GLN 54 N -0.44 4.15 -0.01 1.67 0.00 -1.26 -2.04 119.66 121.72 2krt s GLN 54 Ca 0.27 2.55 0.02 0.00 -0.00 0.00 0.00 55.36 58.20 2krt s GLN 54 Cb -0.09 -3.13 0.03 0.00 0.00 0.00 0.00 33.01 29.82 2krt s GLN 54 CO -0.08 -0.73 0.99 1.58 0.00 0.00 0.00 175.29 177.06 2krt n HIS 55 N 4.12 0.00 -4.09 9.60 -0.00 0.81 -4.96 115.22 120.70 2krt n HIS 55 Ca 0.16 -0.12 -0.14 0.00 0.46 0.00 0.00 57.72 58.08 2krt n HIS 55 Cb 0.36 -0.06 -0.05 0.00 -0.12 0.00 0.00 29.99 30.13 2krt n HIS 55 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 2krt s LYS 56 N -0.34 1.85 -0.76 1.57 2.20 -1.08 -4.71 119.74 118.48 2krt s LYS 56 Ca 0.04 -1.72 -0.16 0.00 -0.36 0.00 0.00 55.97 53.76 2krt s LYS 56 Cb 0.03 0.43 -0.19 0.00 -1.51 0.00 0.00 37.83 36.59 2krt s LYS 56 CO 0.00 -0.76 2.00 0.66 -0.36 0.00 0.00 175.35 176.89 2krt n TYR 57 N -0.54 0.53 -0.09 4.03 4.02 -1.26 -4.63 117.16 119.22 2krt n TYR 57 Ca 0.01 -0.04 0.09 0.00 -0.01 0.00 0.00 57.90 57.95 2krt n TYR 57 Cb 0.62 -1.56 0.22 0.00 -0.02 0.00 0.00 39.34 38.59 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 6.83 2.56 0.05 -0.72 1.13 -1.26 -4.28 117.38 121.68 2krt n GLN 58 Ca 0.43 -2.26 0.12 0.00 -1.94 0.00 0.00 57.00 53.35 2krt n GLN 58 Cb 0.36 -1.43 0.49 0.00 0.11 0.00 0.00 30.24 29.77 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 1.16 0.35 -0.06 1.08 2.85 -1.26 -3.95 115.26 115.42 2krt n ASN 59 Ca 0.18 0.54 -0.11 0.00 -0.11 0.00 0.00 54.58 55.08 2krt n ASN 59 Cb 0.53 -0.63 -0.05 0.00 1.24 0.00 0.00 39.78 40.86 2krt n ASN 59 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2krt n GLU 60 N -1.84 0.30 -5.17 1.20 4.07 -1.26 -4.81 120.64 113.12 2krt n GLU 60 Ca 0.05 0.10 -0.30 0.00 -0.06 0.00 0.00 57.16 56.95 2krt n GLU 60 Cb 0.33 -1.11 -0.16 0.00 -0.06 0.00 0.00 31.44 30.44 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 -6.22 2.03 0.19 4.31 2.34 -1.25 -0.48 118.68 119.61 2krt s LEU 61 Ca -0.18 -0.47 -0.15 0.00 0.06 0.00 0.00 54.13 53.39 2krt s LEU 61 Cb 0.06 -1.27 -0.07 0.00 -0.56 0.00 0.00 46.19 44.34 2krt s LEU 61 CO 0.26 0.23 0.61 -0.62 -1.06 0.00 0.00 176.35 175.77 2krt s ASP 62 N -0.16 6.85 -0.28 1.48 2.15 -0.47 -4.46 116.67 121.77 2krt s ASP 62 Ca -0.02 1.16 0.02 0.00 0.43 0.00 0.00 52.55 54.14 2krt s ASP 62 Cb -0.13 -2.32 0.07 0.00 -0.30 0.00 0.00 42.92 40.24 2krt s ASP 62 CO 0.03 0.03 -0.06 -0.63 -0.17 0.00 0.00 175.17 174.38 2krt s ILE 63 N -1.58 2.33 -0.12 4.11 1.01 -1.26 -2.97 121.20 122.72 2krt s ILE 63 Ca 0.42 -1.76 0.00 0.00 0.00 0.00 0.00 60.65 59.31 2krt s ILE 63 Cb -0.14 -2.44 0.02 0.00 0.01 0.00 0.00 42.46 39.91 2krt s ILE 63 CO 0.20 -0.17 -0.10 -0.54 0.00 0.00 0.00 174.94 174.32 2krt s LYS 64 N 1.08 1.81 -0.37 2.79 1.02 -1.24 -4.97 119.74 119.86 2krt s LYS 64 Ca -0.04 -0.38 -0.27 0.00 0.02 0.00 0.00 55.97 55.30 2krt s LYS 64 Cb -0.20 -1.74 0.02 0.00 -0.52 0.00 0.00 37.83 35.39 2krt s LYS 64 CO -0.05 -0.21 1.01 0.42 -0.92 0.00 0.00 175.35 175.60 2krt s ILE 65 N 1.49 4.50 0.01 2.17 1.01 -1.26 -1.30 121.20 127.81 2krt s ILE 65 Ca 0.02 1.37 -0.25 0.00 0.00 0.00 0.00 60.65 61.80 2krt s ILE 65 Cb -0.13 -4.41 -0.18 0.00 0.01 0.00 0.00 42.46 37.75 2krt s ILE 65 CO -0.07 -0.60 1.35 0.40 0.00 0.00 0.00 174.94 176.02 2krt h ILE 66 N 5.86 1.08 -2.36 2.92 2.04 -0.59 -3.49 117.51 122.98 2krt h ILE 66 Ca -0.22 -0.74 0.13 0.00 1.00 0.00 0.00 64.86 65.03 2krt h ILE 66 Cb 1.07 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.67 2krt h ILE 66 CO 1.02 0.18 0.48 -0.46 0.00 0.00 0.00 178.15 179.37 2krt n ASN 67 N -4.99 -1.39 -4.23 1.72 0.23 -1.25 -5.04 115.26 100.32 2krt n ASN 67 Ca -0.09 -1.72 -0.25 0.00 -0.53 0.00 0.00 54.58 51.99 2krt n ASN 67 Cb 0.21 2.25 -0.14 0.00 -2.08 0.00 0.00 39.78 40.02 2krt n ASN 67 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 2krt s PHE 68 N -2.86 1.74 0.00 -2.53 0.08 -1.26 -1.53 117.98 111.62 2krt s PHE 68 Ca 0.19 -0.36 0.00 0.00 0.12 0.00 0.00 56.93 56.88 2krt s PHE 68 Cb -0.02 -1.06 -0.00 0.00 -0.57 0.00 0.00 43.02 41.37 2krt s PHE 68 CO 0.04 0.05 -0.01 -0.48 -0.10 0.00 0.00 175.22 174.72 2krt s LEU 69 N -0.98 2.05 0.72 -0.37 2.34 -0.80 -5.01 118.68 116.64 2krt s LEU 69 Ca 0.07 -0.11 -0.11 0.00 0.06 0.00 0.00 54.13 54.04 2krt s LEU 69 Cb -0.08 -0.03 0.02 0.00 -0.56 0.00 0.00 46.19 45.54 2krt s LEU 69 CO 0.01 -0.05 1.07 -0.31 -1.06 0.00 0.00 176.35 176.01 2krt s TYR 70 N -0.30 2.98 -0.19 3.48 1.51 -1.26 -1.43 117.35 122.14 2krt s TYR 70 Ca -0.03 1.43 -0.35 0.00 -1.01 0.00 0.00 57.07 57.12 2krt s TYR 70 Cb -0.02 -2.93 -0.11 0.00 -0.11 0.00 0.00 41.96 38.78 2krt s TYR 70 CO -0.00 -1.40 1.97 -2.30 -1.11 0.00 0.00 175.55 172.71 2krt n PRO 71 N -3.24 1.78 -1.07 -1.71 -0.02 -1.26 -0.89 135.00 128.59 2krt n PRO 71 Ca 0.08 0.61 -0.02 0.00 -2.02 0.00 0.00 63.50 62.14 2krt n PRO 71 Cb 0.54 -2.60 -0.01 0.00 -0.02 0.00 0.00 33.50 31.41 2krt n PRO 71 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2krt n ASP 72 N 7.75 -5.66 -0.85 2.55 8.00 -1.26 -1.80 116.55 125.28 2krt n ASP 72 Ca 0.28 0.06 -0.11 0.00 0.71 0.00 0.00 54.79 55.73 2krt n ASP 72 Cb 0.27 -3.37 -0.05 0.00 -0.02 0.00 0.00 41.12 37.96 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 0.45 1.14 3.81 0.44 0.00 -0.07 -4.99 105.19 105.98 2krt n GLY 73 Ca -0.02 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.54 5.79 0.02 1.61 2.15 -0.75 -4.86 116.67 118.09 2krt s ASP 74 Ca 0.00 0.16 -0.25 0.00 0.43 0.00 0.00 52.55 52.89 2krt s ASP 74 Cb 0.00 -1.68 -0.18 0.00 -0.30 0.00 0.00 42.92 40.77 2krt s ASP 74 CO 0.00 0.25 1.40 2.19 -0.17 0.00 0.00 175.17 178.84 2krt h PHE 75 N 3.89 -0.17 -0.37 -5.34 -0.00 -1.94 -3.07 116.94 109.94 2krt h PHE 75 Ca -0.48 -0.00 -0.15 0.00 -0.00 0.00 0.00 57.97 57.33 2krt h PHE 75 Cb 1.18 0.06 -0.01 0.00 -0.00 0.00 0.00 35.95 37.18 2krt h PHE 75 CO 0.64 0.12 -0.38 0.78 -0.00 0.00 0.00 178.31 179.48 2krt h GLY 76 N -0.47 0.96 1.35 6.09 0.00 -1.96 -2.96 103.07 106.08 2krt h GLY 76 Ca -0.02 -0.97 0.08 0.00 0.00 0.00 0.00 47.33 46.43 2krt h GLY 76 CO 0.03 0.87 0.25 0.23 0.00 0.00 0.00 176.54 177.93 2krt h SER 77 N 0.72 0.12 0.01 0.19 0.87 -1.83 -2.02 113.55 111.61 2krt h SER 77 Ca 0.06 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2krt h SER 77 Cb 0.95 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 2krt h SER 77 CO 0.09 0.08 -0.00 0.00 -0.53 0.00 0.00 176.83 176.46 2krt h ALA 78 N 1.81 -0.01 -0.76 6.23 0.00 -1.42 -3.32 119.26 121.79 2krt h ALA 78 Ca 0.17 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.83 2krt h ALA 78 Cb 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 2krt h ALA 78 CO -0.02 -0.20 0.50 -0.91 0.00 0.00 0.00 179.25 178.62 2krt h ASN 79 N -0.61 0.77 1.06 0.00 2.35 -1.30 0.22 115.58 118.07 2krt h ASN 79 Ca -0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2krt h ASN 79 Cb 0.60 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.80 2krt h ASN 79 CO 0.00 0.52 0.00 0.07 -1.65 0.00 0.00 177.43 176.37 2krt h LYS 80 N 0.89 0.00 0.00 0.81 2.10 -1.49 0.10 116.57 118.99 2krt h LYS 80 Ca 0.31 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.96 2krt h LYS 80 Cb 0.13 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.46 2krt h LYS 80 CO -0.10 0.00 -1.03 -1.71 -2.00 0.00 0.00 179.45 174.61 2krt n ASN 81 N -2.98 4.55 -0.23 7.07 5.15 -0.94 -3.88 115.26 124.00 2krt n ASN 81 Ca 0.01 -0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 53.97 2krt n ASN 81 Cb 0.31 0.33 -0.00 0.00 -0.53 0.00 0.00 39.78 39.89 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 3.15 0.35 3.34 8.20 0.00 0.72 -4.76 105.19 116.19 2krt n GLY 82 Ca -0.01 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.16 1.91 0.00 2.61 -4.23 -1.26 -3.53 115.64 108.98 2krt s THR 83 Ca 0.00 -1.88 0.02 0.00 -1.18 0.00 0.00 61.69 58.65 2krt s THR 83 Cb -0.00 -1.85 -0.01 0.00 1.34 0.00 0.00 72.50 71.98 2krt s THR 83 CO 0.00 -0.23 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.58 2krt s LEU 84 N -2.54 2.04 -0.29 4.79 2.96 -0.90 -4.44 118.68 120.30 2krt s LEU 84 Ca 0.15 -0.16 -0.20 0.00 -0.22 0.00 0.00 54.13 53.70 2krt s LEU 84 Cb -0.07 -0.26 -0.01 0.00 0.50 0.00 0.00 46.19 46.34 2krt s LEU 84 CO 0.07 0.03 0.60 -0.54 -1.32 0.00 0.00 176.35 175.19 2krt s LYS 85 N -0.33 3.94 -0.21 1.98 1.02 -0.52 -2.24 119.74 123.38 2krt s LYS 85 Ca 0.00 0.30 -0.19 0.00 0.02 0.00 0.00 55.97 56.11 2krt s LYS 85 Cb -0.03 -3.71 -0.03 0.00 -0.52 0.00 0.00 37.83 33.54 2krt s LYS 85 CO -0.00 -0.51 0.54 -0.51 -0.92 0.00 0.00 175.35 173.95 2krt s LEU 86 N 2.52 4.13 -0.59 3.17 1.02 0.00 -1.90 118.68 127.04 2krt s LEU 86 Ca 0.24 0.68 -0.21 0.00 0.02 0.00 0.00 54.13 54.86 2krt s LEU 86 Cb -0.15 -2.74 0.08 0.00 0.02 0.00 0.00 46.19 43.40 2krt s LEU 86 CO 0.11 -0.22 0.80 -0.44 0.02 0.00 0.00 176.35 176.62 2krt s SER 87 N 1.23 6.20 -0.14 2.29 0.01 -0.58 -2.13 113.70 120.58 2krt s SER 87 Ca 0.24 -1.06 -0.06 0.00 1.31 0.00 0.00 55.95 56.38 2krt s SER 87 Cb -0.15 -2.35 -0.04 0.00 0.21 0.00 0.00 66.02 63.68 2krt s SER 87 CO 0.10 -1.20 0.07 -0.76 0.41 0.00 0.00 173.24 171.86 2krt s LEU 88 N 3.29 3.93 -0.46 2.44 1.02 -0.90 0.22 118.68 128.21 2krt s LEU 88 Ca 0.18 0.21 -0.13 0.00 0.02 0.00 0.00 54.13 54.41 2krt s LEU 88 Cb -0.19 -1.96 0.08 0.00 0.02 0.00 0.00 46.19 44.14 2krt s LEU 88 CO 0.10 0.30 0.36 0.00 0.02 0.00 0.00 176.35 177.12 2krt s MET 89 N -0.36 2.83 -0.16 1.70 0.23 -0.42 -1.28 119.30 121.84 2krt s MET 89 Ca 0.09 -1.44 -0.24 0.00 -1.03 0.00 0.00 55.69 53.07 2krt s MET 89 Cb -0.12 -4.02 -0.02 0.00 -1.53 0.00 0.00 34.83 29.14 2krt s MET 89 CO 0.02 -1.04 0.77 -0.51 -2.03 0.00 0.00 175.02 172.23 2krt s LEU 90 N 1.55 4.19 -0.27 0.18 2.01 0.69 -3.66 118.68 123.37 2krt s LEU 90 Ca 0.04 1.11 -0.07 0.00 0.01 0.00 0.00 54.13 55.22 2krt s LEU 90 Cb -0.24 -3.15 -0.01 0.00 0.01 0.00 0.00 46.19 42.80 2krt s LEU 90 CO 0.04 -0.33 0.06 -0.89 1.01 0.00 0.00 176.35 176.25 2krt s THR 91 N 1.87 4.03 -0.03 5.49 2.01 -1.16 -0.70 115.64 127.15 2krt s THR 91 Ca 0.36 -0.48 -0.30 0.00 0.31 0.00 0.00 61.69 61.58 2krt s THR 91 Cb -0.17 -2.98 -0.03 0.00 0.01 0.00 0.00 72.50 69.34 2krt s THR 91 CO 0.13 0.21 1.01 -1.81 -0.69 0.00 0.00 174.62 173.47 2krt s ASP 92 N 1.54 7.30 0.30 3.53 1.01 -0.15 -1.37 116.67 128.83 2krt s ASP 92 Ca 0.04 1.65 0.08 0.00 0.71 0.00 0.00 52.55 55.04 2krt s ASP 92 Cb -0.16 -2.57 0.47 0.00 1.01 0.00 0.00 42.92 41.67 2krt s ASP 92 CO 0.02 -0.34 1.69 0.11 0.21 0.00 0.00 175.17 176.86 2krt h LYS 93 N 6.92 0.13 -0.15 8.23 1.79 -1.09 0.26 116.57 132.65 2krt h LYS 93 Ca -0.38 -0.07 -0.07 0.00 -2.18 0.00 0.00 60.65 57.96 2krt h LYS 93 Cb 1.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.84 2krt h LYS 93 CO 0.79 0.58 -0.16 1.57 -1.08 0.00 0.00 179.45 181.15 2krt h LYS 94 N 0.11 0.38 -0.01 3.15 2.10 -1.93 -3.37 116.57 117.00 2krt h LYS 94 Ca 0.01 -0.20 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 2krt h LYS 94 Cb 0.87 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.21 2krt h LYS 94 CO 0.07 0.76 -0.25 0.09 -2.00 0.00 0.00 179.45 178.12 2krt n ASN 95 N -4.53 1.08 -0.27 7.07 3.02 -1.22 -4.97 115.26 115.44 2krt n ASN 95 Ca -0.06 -1.04 -0.04 0.00 -0.03 0.00 0.00 54.58 53.42 2krt n ASN 95 Cb 0.37 0.57 -0.02 0.00 -0.61 0.00 0.00 39.78 40.09 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 -0.43 -5.68 -4.84 6.41 5.03 0.89 -4.96 115.26 111.68 2krt n ASN 96 Ca 0.04 0.09 -0.31 0.00 0.87 0.00 0.00 54.58 55.27 2krt n ASN 96 Cb 0.20 -3.50 0.05 0.00 -1.02 0.00 0.00 39.78 35.51 2krt n ASN 96 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2krt s GLN 97 N -2.17 2.95 -0.08 3.52 -1.52 -1.24 -4.73 119.66 116.39 2krt s GLN 97 Ca 0.00 0.78 0.02 0.00 -1.95 0.00 0.00 55.36 54.21 2krt s GLN 97 Cb 0.00 -2.01 0.02 0.00 -0.22 0.00 0.00 33.01 30.80 2krt s GLN 97 CO 0.00 -1.04 -0.12 0.54 -0.25 0.00 0.00 175.29 174.42 2krt s VAL 98 N -3.14 1.15 -0.01 1.09 0.11 -1.26 -0.98 120.40 117.36 2krt s VAL 98 Ca 0.58 -0.46 0.06 0.00 -2.93 0.00 0.00 61.98 59.22 2krt s VAL 98 Cb -0.13 -1.07 -0.02 0.00 -1.53 0.00 0.00 36.38 33.64 2krt s VAL 98 CO 0.54 0.36 -0.19 -0.47 -3.33 0.00 0.00 175.10 172.02 2krt s TYR 99 N 0.86 1.69 -0.31 1.54 5.04 0.12 -4.94 117.35 121.37 2krt s TYR 99 Ca -0.11 -0.32 -0.14 0.00 -2.44 0.00 0.00 57.07 54.06 2krt s TYR 99 Cb -0.15 -1.08 -0.03 0.00 0.35 0.00 0.00 41.96 41.05 2krt s TYR 99 CO 0.01 -0.02 0.30 0.71 -1.34 0.00 0.00 175.55 175.21 2krt s TYR 100 N -0.48 3.22 -0.17 4.97 2.02 -1.26 -0.22 117.35 125.43 2krt s TYR 100 Ca 0.07 0.09 0.01 0.00 -0.37 0.00 0.00 57.07 56.87 2krt s TYR 100 Cb -0.07 -2.54 0.02 0.00 -0.40 0.00 0.00 41.96 38.97 2krt s TYR 100 CO -0.01 -0.30 -0.20 0.21 -1.57 0.00 0.00 175.55 173.69 2krt s LYS 101 N 1.91 2.96 -0.21 -0.62 2.47 -0.40 -5.00 119.74 120.85 2krt s LYS 101 Ca 0.10 -0.82 -0.19 0.00 -1.56 0.00 0.00 55.97 53.50 2krt s LYS 101 Cb -0.16 -2.52 -0.03 0.00 -1.46 0.00 0.00 37.83 33.65 2krt s LYS 101 CO 0.11 -0.18 0.54 -0.51 0.16 0.00 0.00 175.35 175.47 2krt s LEU 102 N 1.21 4.13 -0.20 5.43 2.01 -1.26 -2.13 118.68 127.88 2krt s LEU 102 Ca 0.03 0.68 0.01 0.00 0.01 0.00 0.00 54.13 54.86 2krt s LEU 102 Cb -0.13 -2.73 0.04 0.00 0.01 0.00 0.00 46.19 43.37 2krt s LEU 102 CO -0.11 -0.22 -0.14 -0.76 1.01 0.00 0.00 176.35 176.13 2krt s LEU 103 N 1.82 2.35 -0.41 1.79 1.02 -0.90 -4.94 118.68 119.40 2krt s LEU 103 Ca 0.24 -0.85 -0.17 0.00 0.02 0.00 0.00 54.13 53.38 2krt s LEU 103 Cb -0.15 -1.35 0.02 0.00 0.02 0.00 0.00 46.19 44.72 2krt s LEU 103 CO 0.10 -0.10 0.44 -1.83 0.02 0.00 0.00 176.35 174.98 2krt s GLU 104 N 1.33 3.16 0.23 1.70 -1.05 -1.26 -0.82 118.70 121.99 2krt s GLU 104 Ca 0.00 -0.70 0.11 0.00 -0.15 0.00 0.00 54.97 54.23 2krt s GLU 104 Cb -0.15 -3.95 -0.05 0.00 -0.44 0.00 0.00 34.13 29.54 2krt s GLU 104 CO -0.09 -0.82 -0.20 0.14 0.95 0.00 0.00 175.26 175.23 2krt s VAL 105 N 2.15 2.51 0.54 1.83 -7.23 -0.95 -4.86 120.40 114.39 2krt s VAL 105 Ca 0.12 -2.16 0.09 0.00 -1.81 0.00 0.00 61.98 58.22 2krt s VAL 105 Cb -0.17 -2.26 0.06 0.00 0.56 0.00 0.00 36.38 34.58 2krt s VAL 105 CO 0.14 -0.24 0.66 -0.55 -0.31 0.00 0.00 175.10 174.80 2krt s SER 106 N -3.07 5.06 0.00 4.85 0.15 -1.26 -2.12 113.70 117.31 2krt s SER 106 Ca 0.25 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 56.02 2krt s SER 106 Cb -0.07 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 2krt s SER 106 CO 0.13 -1.19 0.00 0.61 1.20 0.00 0.00 173.24 173.98 2krt n GLY 107 N -2.06 1.37 0.00 9.45 0.00 -1.23 -5.02 105.19 107.70 2krt n GLY 107 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2krt n GLY 107 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2krt n PHE 108 N 0.00 0.00 -3.15 1.61 3.72 -1.26 -4.34 117.46 114.04 2krt n PHE 108 Ca 0.00 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.44 2krt n PHE 108 Cb 0.00 -0.35 -0.01 0.00 -0.94 0.00 0.00 39.48 38.18 2krt n PHE 108 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2krt s LYS 109 N -1.91 0.44 -0.26 -1.08 2.47 -1.26 -4.04 119.74 114.10 2krt s LYS 109 Ca 0.00 0.74 -0.00 0.00 -1.56 0.00 0.00 55.97 55.15 2krt s LYS 109 Cb 0.00 0.41 0.04 0.00 -1.46 0.00 0.00 37.83 36.82 2krt s LYS 109 CO 0.00 -0.50 -0.07 -1.54 0.16 0.00 0.00 175.35 173.40 2krt s SER 110 N 2.89 4.41 -0.51 1.43 1.04 -1.26 -3.88 113.70 117.81 2krt s SER 110 Ca 0.13 -1.09 0.05 0.00 0.48 0.00 0.00 55.95 55.53 2krt s SER 110 Cb -0.13 -1.64 0.20 0.00 0.10 0.00 0.00 66.02 64.56 2krt s SER 110 CO -0.18 -0.17 0.49 0.59 0.98 0.00 0.00 173.24 174.95 2krt n ASN 111 N 4.60 1.18 0.00 7.02 4.13 0.36 -4.95 115.26 127.60 2krt n ASN 111 Ca -0.15 -2.82 0.00 0.00 1.68 0.00 0.00 54.58 53.29 2krt n ASN 111 Cb 0.45 -0.64 0.00 0.00 -1.54 0.00 0.00 39.78 38.05 2krt n ASN 111 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 2krt n PRO 112 N 1.97 0.00 0.25 3.52 -0.02 -1.25 -2.39 135.00 137.09 2krt n PRO 112 Ca 0.25 0.15 0.08 0.00 -2.02 0.00 0.00 63.50 61.97 2krt n PRO 112 Cb 0.45 -1.10 0.63 0.00 -0.02 0.00 0.00 33.50 33.45 2krt n PRO 112 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 2krt h TYR 113 N 0.00 0.00 0.00 6.00 -0.00 -1.94 -2.79 116.97 118.24 2krt h TYR 113 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2krt h TYR 113 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 2krt h TYR 113 CO 0.06 0.06 0.00 -0.07 -0.00 0.00 0.00 178.16 178.21 2krt h LEU 114 N 0.00 0.00 -1.53 0.10 3.38 -1.92 -0.79 115.31 114.56 2krt h LEU 114 Ca -0.00 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.16 2krt h LEU 114 Cb 0.11 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 2krt h LEU 114 CO 0.01 0.00 0.58 1.05 0.09 0.00 0.00 178.44 180.17 2krt h GLU 115 N 0.00 0.39 0.00 1.13 4.11 -1.18 -1.13 114.58 117.90 2krt h GLU 115 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 2krt h GLU 115 Cb 0.46 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2krt h GLU 115 CO 0.00 0.26 -0.96 -2.39 0.07 0.00 0.00 179.01 175.99 2krt n HIS 116 N -4.50 0.00 0.18 2.06 1.44 -1.16 -4.37 115.22 108.87 2krt n HIS 116 Ca 0.18 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.95 2krt n HIS 116 Cb 0.67 -0.02 0.23 0.00 0.12 0.00 0.00 29.99 30.99 2krt n HIS 116 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2krt h HIS 117 N 0.00 0.00 -0.39 -1.40 6.17 -0.96 -3.42 115.15 115.16 2krt h HIS 117 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 60.37 61.06 2krt h HIS 117 Cb 0.04 0.00 -0.16 0.00 2.52 0.00 0.00 27.41 29.81 2krt h HIS 117 CO 0.00 0.37 -0.21 -1.58 0.71 0.00 0.00 177.93 177.22 2krt s HIS 118 N -3.32 -0.63 -0.69 5.26 5.65 -0.44 -4.97 115.29 116.14 2krt s HIS 118 Ca 0.02 -0.19 -0.24 0.00 0.25 0.00 0.00 55.06 54.90 2krt s HIS 118 Cb 0.09 0.12 0.06 0.00 -1.18 0.00 0.00 32.58 31.67 2krt s HIS 118 CO 0.70 -0.49 1.06 -1.58 -0.65 0.00 0.00 174.74 173.78 2krt s HIS 119 N 1.03 2.57 -0.24 3.88 2.46 -1.21 -4.75 115.29 119.02 2krt s HIS 119 Ca 0.24 -0.43 -0.22 0.00 0.47 0.00 0.00 55.06 55.12 2krt s HIS 119 Cb 0.09 -4.39 -0.01 0.00 -0.13 0.00 0.00 32.58 28.13 2krt s HIS 119 CO -0.10 -1.77 0.73 -1.58 -2.47 0.00 0.00 174.74 169.55 2krt s HIS 120 N 4.53 3.30 -2.00 3.88 5.65 -1.26 -5.12 115.29 124.27 2krt s HIS 120 Ca 0.26 0.98 0.28 0.00 0.25 0.00 0.00 55.06 56.84 2krt s HIS 120 Cb -0.14 -2.94 1.68 0.00 -1.18 0.00 0.00 32.58 30.00 2krt s HIS 120 CO 0.11 -0.35 2.02 1.58 -0.65 0.00 0.00 174.74 177.45