#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 3.22 0.47 4.03 2.01 -1.26 -5.11 118.68 122.04 2krt s LEU 2 Ca 0.00 -0.48 0.04 0.00 0.01 0.00 0.00 54.13 53.70 2krt s LEU 2 Cb 0.00 -1.79 -0.04 0.00 0.01 0.00 0.00 46.19 44.37 2krt s LEU 2 CO 0.00 -0.07 0.05 -0.44 1.01 0.00 0.00 176.35 176.90 2krt s SER 3 N 1.49 4.11 0.00 2.29 0.01 -1.26 -5.07 113.70 115.26 2krt s SER 3 Ca 0.05 -1.47 0.01 0.00 1.31 0.00 0.00 55.95 55.85 2krt s SER 3 Cb -0.15 0.09 0.02 0.00 0.21 0.00 0.00 66.02 66.19 2krt s SER 3 CO -0.01 -0.70 0.80 0.00 0.41 0.00 0.00 173.24 173.75 2krt n GLN 4 N -1.19 0.00 -1.86 12.44 10.64 -1.26 -5.02 117.38 131.13 2krt n GLN 4 Ca -0.11 -0.64 -0.31 0.00 -1.83 0.00 0.00 57.00 54.10 2krt n GLN 4 Cb 0.67 0.22 0.02 0.00 -0.86 0.00 0.00 30.24 30.29 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 0.00 2.89 0.27 2.61 0.00 -1.26 -4.90 121.76 121.37 2krt s ALA 5 Ca 0.02 0.08 -0.04 0.00 0.00 0.00 0.00 51.96 52.02 2krt s ALA 5 Cb 0.02 -3.14 0.34 0.00 0.00 0.00 0.00 23.12 20.34 2krt s ALA 5 CO -0.01 -0.84 1.93 -0.91 0.00 0.00 0.00 175.76 175.94 2krt h ASN 6 N -0.18 1.07 0.51 0.00 -0.26 -2.00 -0.91 115.58 113.80 2krt h ASN 6 Ca -0.45 -0.02 -0.12 0.00 -0.56 0.00 0.00 56.30 55.15 2krt h ASN 6 Cb 1.20 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 38.18 2krt h ASN 6 CO 0.59 0.76 -0.56 1.05 -1.06 0.00 0.00 177.43 178.22 2krt h GLU 7 N 1.26 0.06 -0.37 0.81 4.11 -2.00 -3.16 114.58 115.29 2krt h GLU 7 Ca 0.36 -0.04 -0.02 0.00 0.07 0.00 0.00 59.36 59.73 2krt h GLU 7 Cb -0.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2krt h GLU 7 CO -0.09 0.60 0.14 0.22 0.07 0.00 0.00 179.01 179.95 2krt h ASP 8 N 0.04 0.52 -0.14 3.06 3.58 -1.57 0.15 116.42 122.07 2krt h ASP 8 Ca -0.00 -0.18 0.04 0.00 0.42 0.00 0.00 57.03 57.30 2krt h ASP 8 Cb 1.00 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 41.88 2krt h ASP 8 CO 0.08 0.56 -0.09 -0.26 -2.88 0.00 0.00 179.24 176.64 2krt h PHE 9 N 0.45 -0.23 -0.31 0.28 0.04 -1.31 -1.21 116.94 114.65 2krt h PHE 9 Ca 0.12 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.84 2krt h PHE 9 Cb 0.21 0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.47 2krt h PHE 9 CO 0.00 -0.14 -0.10 1.57 -0.60 0.00 0.00 178.31 179.04 2krt h LYS 10 N -0.10 0.53 -0.48 1.51 2.10 -1.51 -2.62 116.57 116.00 2krt h LYS 10 Ca 0.09 -0.15 0.07 0.00 -2.00 0.00 0.00 60.65 58.66 2krt h LYS 10 Cb 0.22 -0.06 -0.06 0.00 -0.90 0.00 0.00 32.23 31.43 2krt h LYS 10 CO -0.20 0.63 0.15 -0.22 -2.00 0.00 0.00 179.45 177.82 2krt h LYS 11 N 0.49 0.31 -0.80 0.07 3.64 -0.30 0.19 116.57 120.16 2krt h LYS 11 Ca 0.09 -0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.57 2krt h LYS 11 Cb 0.47 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.14 2krt h LYS 11 CO 0.03 0.20 0.42 0.82 -2.27 0.00 0.00 179.45 178.65 2krt h ILE 12 N 0.32 0.81 0.00 2.00 2.04 -0.87 0.27 117.51 122.07 2krt h ILE 12 Ca 0.23 -0.23 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 2krt h ILE 12 Cb 0.26 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 2krt h ILE 12 CO -0.26 0.12 -0.30 0.58 0.00 0.00 0.00 178.15 178.29 2krt h VAL 13 N 0.66 1.08 0.00 1.67 2.07 -1.00 -1.81 116.25 118.92 2krt h VAL 13 Ca 0.41 -1.09 -0.05 0.00 0.82 0.00 0.00 66.70 66.80 2krt h VAL 13 Cb 0.49 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 2krt h VAL 13 CO -0.30 0.30 -0.25 0.78 0.02 0.00 0.00 177.57 178.11 2krt h ASN 14 N 0.00 0.00 -0.28 0.57 2.35 0.78 -3.24 115.58 115.76 2krt h ASN 14 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2krt h ASN 14 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.95 2krt h ASN 14 CO 0.04 0.21 0.00 0.59 -1.65 0.00 0.00 177.43 176.62 2krt n ASN 15 N -3.14 1.68 -4.56 5.81 3.02 0.76 -4.76 115.26 114.07 2krt n ASN 15 Ca 0.03 -2.04 -0.39 0.00 -0.03 0.00 0.00 54.58 52.15 2krt n ASN 15 Cb 0.62 -0.23 -0.03 0.00 -0.61 0.00 0.00 39.78 39.52 2krt n ASN 15 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2krt s ILE 16 N -1.62 3.75 -0.12 2.41 1.01 -1.12 -4.76 121.20 120.75 2krt s ILE 16 Ca 0.19 -0.33 -0.04 0.00 0.00 0.00 0.00 60.65 60.48 2krt s ILE 16 Cb 0.11 -4.78 -0.03 0.00 0.01 0.00 0.00 42.46 37.76 2krt s ILE 16 CO 0.12 -1.69 0.02 -0.60 0.00 0.00 0.00 174.94 172.79 2krt s ARG 17 N 5.64 3.38 0.00 2.79 6.06 -1.26 -4.97 118.95 130.59 2krt s ARG 17 Ca 0.48 -0.40 0.04 0.00 -2.50 0.00 0.00 55.73 53.36 2krt s ARG 17 Cb -0.04 -2.94 0.23 0.00 0.06 0.00 0.00 34.95 32.26 2krt s ARG 17 CO 0.00 0.51 0.87 1.47 -2.50 0.00 0.00 175.30 175.66 2krt n LEU 18 N 2.74 0.00 -0.12 -0.88 -0.00 -1.26 -0.74 117.00 116.74 2krt n LEU 18 Ca -0.18 0.17 -0.23 0.00 -0.00 0.00 0.00 56.01 55.77 2krt n LEU 18 Cb 0.53 -0.17 -0.08 0.00 -0.00 0.00 0.00 43.42 43.70 2krt n LEU 18 CO 0.31 -0.15 -1.17 0.29 -0.00 0.00 0.00 177.39 176.67 2krt n LYS 19 N -1.17 0.57 -0.05 1.47 4.76 -1.26 -4.47 118.16 118.01 2krt n LYS 19 Ca 0.02 0.27 -0.18 0.00 -2.87 0.00 0.00 58.31 55.56 2krt n LYS 19 Cb 0.03 -1.49 -0.14 0.00 -1.84 0.00 0.00 35.03 31.59 2krt n LYS 19 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2krt n ASP 20 N -4.33 1.71 -0.06 4.39 8.00 -1.09 -4.68 116.55 120.49 2krt n ASP 20 Ca -0.42 0.12 -0.18 0.00 0.71 0.00 0.00 54.79 55.02 2krt n ASP 20 Cb 0.76 -0.45 -0.13 0.00 -0.02 0.00 0.00 41.12 41.28 2krt n ASP 20 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2krt h THR 21 N 0.03 1.38 -2.96 -3.53 2.02 -1.23 -3.39 112.91 105.24 2krt h THR 21 Ca -0.46 -2.32 0.01 0.00 0.77 0.00 0.00 66.41 64.41 2krt h THR 21 Cb 2.01 2.91 -0.10 0.00 -1.74 0.00 0.00 68.15 71.23 2krt h THR 21 CO 0.03 0.54 0.23 0.72 0.37 0.00 0.00 175.52 177.42 2krt s PHE 22 N -2.32 -0.44 -0.21 3.16 -0.71 -1.16 -0.56 117.98 115.74 2krt s PHE 22 Ca -0.22 0.17 -0.07 0.00 -1.04 0.00 0.00 56.93 55.77 2krt s PHE 22 Cb 0.01 0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 42.38 2krt s PHE 22 CO 0.69 -0.93 0.06 -0.51 -1.34 0.00 0.00 175.22 173.19 2krt s ASP 23 N -2.78 5.40 -0.30 1.98 1.11 -0.30 -4.09 116.67 117.68 2krt s ASP 23 Ca 0.04 -0.04 -0.10 0.00 0.18 0.00 0.00 52.55 52.63 2krt s ASP 23 Cb -0.02 -1.94 -0.01 0.00 1.07 0.00 0.00 42.92 42.01 2krt s ASP 23 CO -0.08 0.09 0.15 0.72 1.18 0.00 0.00 175.17 177.23 2krt s PHE 24 N 0.88 3.17 -0.05 4.23 -0.71 -1.26 -0.79 117.98 123.45 2krt s PHE 24 Ca 0.04 -0.48 0.06 0.00 -1.04 0.00 0.00 56.93 55.50 2krt s PHE 24 Cb -0.14 -2.35 -0.02 0.00 -1.21 0.00 0.00 43.02 39.31 2krt s PHE 24 CO 0.02 -0.42 -0.22 0.21 -1.34 0.00 0.00 175.22 173.48 2krt s LYS 25 N 1.63 2.46 -0.36 1.99 2.20 0.07 -4.84 119.74 122.89 2krt s LYS 25 Ca 0.05 -0.84 -0.27 0.00 -0.36 0.00 0.00 55.97 54.55 2krt s LYS 25 Cb -0.17 -2.22 0.02 0.00 -1.51 0.00 0.00 37.83 33.95 2krt s LYS 25 CO 0.06 0.49 0.97 -0.51 -0.36 0.00 0.00 175.35 176.01 2krt s LEU 26 N -0.42 3.96 0.56 5.43 2.01 -1.26 -0.29 118.68 128.66 2krt s LEU 26 Ca 0.04 0.70 0.26 0.00 0.01 0.00 0.00 54.13 55.14 2krt s LEU 26 Cb -0.12 -3.35 1.50 0.00 0.01 0.00 0.00 46.19 44.24 2krt s LEU 26 CO 0.01 -0.88 2.06 0.00 1.01 0.00 0.00 176.35 178.55 2krt h ALA 27 N 8.42 2.09 -0.03 4.21 0.00 -1.67 0.93 119.26 133.21 2krt h ALA 27 Ca -0.22 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 2krt h ALA 27 Cb 1.07 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2krt h ALA 27 CO 1.00 -0.40 -0.67 0.00 0.00 0.00 0.00 179.25 179.18 2krt h ALA 28 N 1.77 0.82 -2.25 0.00 0.00 -1.89 -3.38 119.26 114.33 2krt h ALA 28 Ca 0.14 -0.59 -0.59 0.00 0.00 0.00 0.00 54.91 53.86 2krt h ALA 28 Cb 0.64 -0.09 -0.41 0.00 0.00 0.00 0.00 17.79 17.93 2krt h ALA 28 CO -0.00 0.80 -0.78 1.19 0.00 0.00 0.00 179.25 180.45 2krt n PHE 29 N -3.79 1.99 0.53 0.00 3.72 0.30 -4.94 117.46 115.27 2krt n PHE 29 Ca -0.02 -3.92 0.12 0.00 -0.05 0.00 0.00 57.45 53.58 2krt n PHE 29 Cb 0.66 -0.44 0.45 0.00 -0.94 0.00 0.00 39.48 39.22 2krt n PHE 29 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2krt n PRO 30 N 1.30 0.19 0.04 -1.08 -0.04 -1.10 -2.70 135.00 131.61 2krt n PRO 30 Ca 0.26 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 64.14 2krt n PRO 30 Cb 0.45 -1.79 0.14 0.00 -0.04 0.00 0.00 33.50 32.26 2krt n PRO 30 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2krt n ASN 31 N -2.13 0.64 -4.99 3.54 3.02 -1.26 -4.96 115.26 109.13 2krt n ASN 31 Ca 0.04 -0.03 -0.20 0.00 -0.03 0.00 0.00 54.58 54.36 2krt n ASN 31 Cb 0.30 0.36 0.01 0.00 -0.61 0.00 0.00 39.78 39.84 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 -3.15 2.99 0.21 3.52 -1.52 -1.10 -5.13 119.66 115.47 2krt s GLN 32 Ca 0.06 -0.93 0.10 0.00 -1.95 0.00 0.00 55.36 52.64 2krt s GLN 32 Cb 0.14 -2.72 -0.05 0.00 -0.22 0.00 0.00 33.01 30.17 2krt s GLN 32 CO 0.74 -0.16 -0.19 1.21 -0.25 0.00 0.00 175.29 176.64 2krt s ASN 33 N -4.25 3.02 0.52 5.90 3.84 -1.26 -4.91 114.94 117.80 2krt s ASN 33 Ca 0.49 -0.93 0.16 0.00 0.21 0.00 0.00 52.86 52.78 2krt s ASN 33 Cb -0.10 -0.21 1.25 0.00 -0.55 0.00 0.00 41.25 41.65 2krt s ASN 33 CO 0.34 -0.01 2.15 0.10 -2.79 0.00 0.00 177.10 176.88 2krt h TYR 34 N 2.87 0.02 0.00 0.43 -0.00 -1.92 0.14 116.97 118.51 2krt h TYR 34 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.31 2krt h TYR 34 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 36.73 37.94 2krt h TYR 34 CO 0.72 0.01 0.00 -0.25 -0.00 0.00 0.00 178.16 178.64 2krt n ASP 35 N -4.54 0.56 0.00 0.10 8.00 -1.26 -2.78 116.55 116.63 2krt n ASP 35 Ca -0.03 0.68 0.00 0.00 0.71 0.00 0.00 54.79 56.15 2krt n ASP 35 Cb 0.09 -0.78 0.00 0.00 -0.02 0.00 0.00 41.12 40.41 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 -2.16 1.80 -4.43 -1.24 6.02 0.41 -4.81 117.38 112.98 2krt n GLN 36 Ca 0.01 -1.17 -0.34 0.00 -0.01 0.00 0.00 57.00 55.49 2krt n GLN 36 Cb 0.15 -0.95 -0.11 0.00 1.02 0.00 0.00 30.24 30.35 2krt n GLN 36 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2krt s LEU 37 N -0.68 3.33 0.24 1.08 1.98 -0.73 -4.85 118.68 119.05 2krt s LEU 37 Ca 0.00 -0.03 -0.30 0.00 -2.89 0.00 0.00 54.13 50.91 2krt s LEU 37 Cb 0.00 -1.78 -0.09 0.00 0.66 0.00 0.00 46.19 44.98 2krt s LEU 37 CO 0.00 0.26 0.96 -0.76 -1.89 0.00 0.00 176.35 174.92 2krt s LEU 38 N -0.20 4.64 0.17 -0.68 2.01 -1.26 -4.70 118.68 118.65 2krt s LEU 38 Ca 0.04 1.98 -0.15 0.00 0.01 0.00 0.00 54.13 56.01 2krt s LEU 38 Cb -0.13 -3.61 0.12 0.00 0.01 0.00 0.00 46.19 42.59 2krt s LEU 38 CO 0.02 0.12 1.70 1.55 1.01 0.00 0.00 176.35 180.76 2krt h PRO 39 N 4.13 0.11 -0.11 1.29 0.13 -1.97 -1.02 132.00 134.55 2krt h PRO 39 Ca -0.45 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 2krt h PRO 39 Cb 1.20 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2krt h PRO 39 CO 0.68 0.07 -0.03 0.77 -0.23 0.00 0.00 178.00 179.27 2krt h SER 40 N 0.12 0.15 0.14 1.44 0.02 -2.01 -2.51 113.55 110.89 2krt h SER 40 Ca 0.21 -0.02 -0.25 0.00 -0.84 0.00 0.00 61.79 60.89 2krt h SER 40 Cb 0.29 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.81 2krt h SER 40 CO -0.34 0.21 -0.99 1.56 -1.14 0.00 0.00 176.83 176.12 2krt h GLN 41 N 0.16 0.59 -0.41 3.45 1.08 -1.63 -3.32 115.11 115.02 2krt h GLN 41 Ca 0.04 -0.62 0.05 0.00 -1.45 0.00 0.00 58.65 56.66 2krt h GLN 41 Cb 0.16 0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 27.72 2krt h GLN 41 CO 0.01 1.23 0.16 0.82 -0.95 0.00 0.00 178.83 180.10 2krt h ILE 42 N 0.33 0.90 -0.77 2.54 2.04 -0.81 -2.60 117.51 119.15 2krt h ILE 42 Ca -0.11 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.68 2krt h ILE 42 Cb 1.64 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 38.21 2krt h ILE 42 CO 0.19 0.06 0.50 0.22 0.00 0.00 0.00 178.15 179.12 2krt h TYR 43 N 0.33 0.89 0.00 1.37 3.20 -1.63 -1.99 116.97 119.14 2krt h TYR 43 Ca 0.19 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 2krt h TYR 43 Cb 0.16 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.13 2krt h TYR 43 CO -0.14 0.50 -0.01 0.87 -1.64 0.00 0.00 178.16 177.75 2krt h LYS 44 N 0.91 0.00 0.00 1.82 1.79 -1.56 -1.17 116.57 118.36 2krt h LYS 44 Ca 0.31 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.78 2krt h LYS 44 Cb 0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 2krt h LYS 44 CO -0.09 0.01 0.00 -1.71 -1.08 0.00 0.00 179.45 176.57 2krt n ASN 45 N -3.12 0.00 -0.21 0.86 5.15 -0.75 -3.92 115.26 113.26 2krt n ASN 45 Ca -0.02 -0.13 0.22 0.00 -0.60 0.00 0.00 54.58 54.04 2krt n ASN 45 Cb 0.16 -0.25 0.58 0.00 -0.53 0.00 0.00 39.78 39.73 2krt n ASN 45 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 2krt h TYR 46 N 0.00 0.37 0.06 1.20 -0.00 -1.36 -0.67 116.97 116.57 2krt h TYR 46 Ca 0.00 0.01 -0.31 0.00 -0.00 0.00 0.00 58.73 58.43 2krt h TYR 46 Cb 0.20 -0.11 -0.03 0.00 -0.00 0.00 0.00 36.73 36.79 2krt h TYR 46 CO 0.00 0.09 -1.69 -0.92 -0.00 0.00 0.00 178.16 175.64 2krt h TYR 47 N 0.28 0.24 -0.56 0.10 3.20 -1.83 -3.38 116.97 115.02 2krt h TYR 47 Ca 0.45 -0.18 -0.11 0.00 3.14 0.00 0.00 58.73 62.03 2krt h TYR 47 Cb 1.31 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.55 2krt h TYR 47 CO -0.00 1.30 -0.08 1.96 -1.64 0.00 0.00 178.16 179.70 2krt h GLN 48 N 0.04 1.05 0.00 1.82 7.50 -1.38 -3.49 115.11 120.65 2krt h GLN 48 Ca -0.29 -0.37 0.00 0.00 0.50 0.00 0.00 58.65 58.48 2krt h GLN 48 Cb 2.01 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 29.46 2krt h GLN 48 CO 0.11 1.07 0.00 0.41 -1.50 0.00 0.00 178.83 178.92 2krt n GLY 49 N -0.31 4.16 3.53 3.46 0.00 -0.69 -4.85 105.19 110.49 2krt n GLY 49 Ca 0.02 -1.17 -0.36 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.61 4.58 -0.45 -0.61 1.01 -1.26 -1.72 121.20 122.13 2krt s ILE 50 Ca 0.00 -0.09 -0.18 0.00 0.00 0.00 0.00 60.65 60.38 2krt s ILE 50 Cb 0.00 -3.12 0.04 0.00 0.01 0.00 0.00 42.46 39.39 2krt s ILE 50 CO 0.00 0.37 0.53 -1.61 0.00 0.00 0.00 174.94 174.23 2krt s GLU 51 N 1.19 3.13 -0.27 2.79 0.41 0.60 -4.91 118.70 121.64 2krt s GLU 51 Ca 0.05 -0.76 -0.15 0.00 -0.41 0.00 0.00 54.97 53.70 2krt s GLU 51 Cb -0.14 -4.01 -0.04 0.00 -1.78 0.00 0.00 34.13 28.16 2krt s GLU 51 CO 0.04 -1.00 0.40 0.42 -0.49 0.00 0.00 175.26 174.63 2krt s ILE 52 N 2.37 5.15 -0.33 -1.63 -1.09 -1.26 -0.75 121.20 123.68 2krt s ILE 52 Ca 0.14 0.63 -0.07 0.00 -2.23 0.00 0.00 60.65 59.13 2krt s ILE 52 Cb -0.17 -3.72 0.03 0.00 -1.58 0.00 0.00 42.46 37.01 2krt s ILE 52 CO 0.14 0.14 0.10 -1.58 -1.23 0.00 0.00 174.94 172.51 2krt s GLN 53 N 2.11 2.75 -0.41 2.79 -0.44 0.03 -4.98 119.66 121.52 2krt s GLN 53 Ca 0.16 -1.09 -0.29 0.00 -2.50 0.00 0.00 55.36 51.65 2krt s GLN 53 Cb -0.16 -3.44 0.01 0.00 -1.64 0.00 0.00 33.01 27.79 2krt s GLN 53 CO 0.10 -0.60 1.40 1.14 0.50 0.00 0.00 175.29 177.83 2krt s GLN 54 N 1.43 3.58 -0.07 1.67 -2.07 -1.26 -1.15 119.66 121.79 2krt s GLN 54 Ca -0.00 0.93 0.14 0.00 -1.82 0.00 0.00 55.36 54.60 2krt s GLN 54 Cb -0.19 -4.02 -0.23 0.00 -1.09 0.00 0.00 33.01 27.48 2krt s GLN 54 CO 0.03 -1.56 0.55 1.58 -1.32 0.00 0.00 175.29 174.57 2krt n HIS 55 N 8.77 0.81 -3.74 9.60 -0.00 -0.49 -4.92 115.22 125.25 2krt n HIS 55 Ca 0.16 0.29 -0.16 0.00 0.46 0.00 0.00 57.72 58.48 2krt n HIS 55 Cb 0.48 -1.15 -0.16 0.00 -0.12 0.00 0.00 29.99 29.04 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 -2.58 -0.03 -0.87 1.57 1.02 0.28 -4.97 119.74 114.16 2krt s LYS 56 Ca -0.06 0.28 0.00 0.00 0.02 0.00 0.00 55.97 56.21 2krt s LYS 56 Cb 0.08 -0.30 0.00 0.00 -0.52 0.00 0.00 37.83 37.08 2krt s LYS 56 CO 0.83 -0.21 0.00 0.66 -0.92 0.00 0.00 175.35 175.70 2krt n TYR 57 N 4.51 -0.48 1.77 3.18 4.02 -1.26 -4.74 117.16 124.16 2krt n TYR 57 Ca -0.21 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.74 2krt n TYR 57 Cb 0.50 -2.00 0.31 0.00 -0.02 0.00 0.00 39.34 38.14 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 -1.35 0.89 -0.03 -0.72 1.13 -1.26 -2.97 117.38 113.06 2krt n GLN 58 Ca -0.08 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.10 2krt n GLN 58 Cb 0.30 -1.19 0.55 0.00 0.11 0.00 0.00 30.24 30.01 2krt n GLN 58 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2krt n ASN 59 N -0.69 1.00 -0.04 1.08 3.02 -1.26 -4.01 115.26 114.36 2krt n ASN 59 Ca 0.08 -1.47 -0.08 0.00 -0.03 0.00 0.00 54.58 53.08 2krt n ASN 59 Cb 0.04 -0.04 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 2krt n ASN 59 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2krt n GLU 60 N -0.16 0.20 -5.05 3.52 4.07 -1.16 -4.85 120.64 117.21 2krt n GLU 60 Ca 0.18 0.07 -0.31 0.00 -0.06 0.00 0.00 57.16 57.04 2krt n GLU 60 Cb 0.25 -1.00 -0.17 0.00 -0.06 0.00 0.00 31.44 30.46 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 -5.99 2.02 -0.05 4.31 0.05 -1.26 -1.62 118.68 116.15 2krt s LEU 61 Ca -0.12 -0.52 -0.15 0.00 0.05 0.00 0.00 54.13 53.39 2krt s LEU 61 Cb 0.04 -1.32 -0.05 0.00 -2.05 0.00 0.00 46.19 42.81 2krt s LEU 61 CO 0.18 0.13 0.40 -0.62 -0.55 0.00 0.00 176.35 175.88 2krt s ASP 62 N 0.46 6.72 -0.41 1.48 -1.08 -0.41 -4.49 116.67 118.95 2krt s ASP 62 Ca -0.17 0.86 -0.16 0.00 -0.52 0.00 0.00 52.55 52.56 2krt s ASP 62 Cb -0.17 -2.24 0.02 0.00 -1.46 0.00 0.00 42.92 39.06 2krt s ASP 62 CO 0.07 0.24 0.37 -0.63 0.52 0.00 0.00 175.17 175.74 2krt s ILE 63 N -0.58 5.17 -0.22 4.11 1.01 -1.26 -1.83 121.20 127.60 2krt s ILE 63 Ca 0.23 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.46 2krt s ILE 63 Cb -0.16 -3.97 0.05 0.00 0.01 0.00 0.00 42.46 38.40 2krt s ILE 63 CO 0.11 -0.34 -0.08 -0.54 0.00 0.00 0.00 174.94 174.10 2krt s LYS 64 N 1.94 1.83 -0.21 2.79 1.02 -1.20 -4.89 119.74 121.03 2krt s LYS 64 Ca 0.09 -0.92 -0.23 0.00 0.02 0.00 0.00 55.97 54.93 2krt s LYS 64 Cb -0.18 -2.50 -0.01 0.00 -0.52 0.00 0.00 37.83 34.62 2krt s LYS 64 CO 0.12 -0.51 0.76 0.42 -0.92 0.00 0.00 175.35 175.22 2krt s ILE 65 N 1.39 4.91 -0.04 2.17 1.01 -1.26 -1.05 121.20 128.32 2krt s ILE 65 Ca -0.04 1.46 -0.02 0.00 0.00 0.00 0.00 60.65 62.05 2krt s ILE 65 Cb -0.18 -4.07 -0.01 0.00 0.01 0.00 0.00 42.46 38.22 2krt s ILE 65 CO -0.07 0.01 0.13 0.40 0.00 0.00 0.00 174.94 175.41 2krt h ILE 66 N 5.29 0.00 -2.73 2.92 2.04 -1.28 -3.48 117.51 120.27 2krt h ILE 66 Ca -0.27 -0.45 -0.09 0.00 1.00 0.00 0.00 64.86 65.04 2krt h ILE 66 Cb 1.12 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 2krt h ILE 66 CO 0.83 0.00 -0.03 -0.46 0.00 0.00 0.00 178.15 178.49 2krt n ASN 67 N -3.45 -0.62 -4.20 1.72 0.23 -1.26 -4.95 115.26 102.73 2krt n ASN 67 Ca -0.01 -1.74 -0.32 0.00 -0.53 0.00 0.00 54.58 51.98 2krt n ASN 67 Cb 0.03 1.13 -0.17 0.00 -2.08 0.00 0.00 39.78 38.68 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 -4.59 2.52 0.13 -2.53 0.40 -1.26 -2.10 117.98 110.56 2krt s PHE 68 Ca 0.11 -1.08 0.06 0.00 -0.60 0.00 0.00 56.93 55.41 2krt s PHE 68 Cb -0.01 -1.70 -0.04 0.00 0.51 0.00 0.00 43.02 41.79 2krt s PHE 68 CO 0.08 -0.45 -0.00 -0.51 0.70 0.00 0.00 175.22 175.03 2krt s LEU 69 N 0.46 3.38 0.37 -0.37 1.02 0.19 -4.98 118.68 118.74 2krt s LEU 69 Ca -0.16 -0.28 -0.05 0.00 0.02 0.00 0.00 54.13 53.65 2krt s LEU 69 Cb -0.17 -2.08 -0.05 0.00 0.02 0.00 0.00 46.19 43.91 2krt s LEU 69 CO 0.07 0.13 0.65 -0.31 0.02 0.00 0.00 176.35 176.91 2krt s TYR 70 N -1.50 3.50 0.00 0.29 2.02 -1.26 -0.96 117.35 119.44 2krt s TYR 70 Ca 0.26 0.72 0.00 0.00 -0.37 0.00 0.00 57.07 57.68 2krt s TYR 70 Cb -0.11 -2.19 0.00 0.00 -0.40 0.00 0.00 41.96 39.27 2krt s TYR 70 CO 0.18 -0.00 0.66 -2.30 -1.57 0.00 0.00 175.55 172.52 2krt n PRO 71 N -1.47 0.00 -0.11 -1.71 -0.02 -1.26 -2.28 135.00 128.15 2krt n PRO 71 Ca -0.01 0.53 0.08 0.00 -2.02 0.00 0.00 63.50 62.09 2krt n PRO 71 Cb 0.55 -1.16 0.29 0.00 -0.02 0.00 0.00 33.50 33.16 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 -1.48 1.62 0.00 2.55 9.92 -1.26 -4.91 116.55 122.99 2krt n ASP 72 Ca 0.00 -1.81 0.00 0.00 -0.53 0.00 0.00 54.79 52.45 2krt n ASP 72 Cb 0.00 -0.15 0.00 0.00 -0.64 0.00 0.00 41.12 40.33 2krt n ASP 72 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2krt n GLY 73 N 1.07 2.91 3.72 0.44 0.00 -0.97 -5.04 105.19 107.33 2krt n GLY 73 Ca 0.14 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 2krt n GLY 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2krt s ASP 74 N 0.31 7.02 0.40 1.61 1.11 -1.26 -4.65 116.67 121.21 2krt s ASP 74 Ca 0.00 2.19 0.11 0.00 0.18 0.00 0.00 52.55 55.03 2krt s ASP 74 Cb 0.00 -2.59 0.91 0.00 1.07 0.00 0.00 42.92 42.31 2krt s ASP 74 CO 0.00 -0.47 1.94 2.19 1.18 0.00 0.00 175.17 180.01 2krt h PHE 75 N 6.09 0.61 -0.68 4.23 -5.15 -1.98 -1.02 116.94 119.04 2krt h PHE 75 Ca -0.43 0.02 0.03 0.00 -0.20 0.00 0.00 57.97 57.39 2krt h PHE 75 Cb 1.21 -0.20 -0.04 0.00 0.22 0.00 0.00 35.95 37.14 2krt h PHE 75 CO 0.65 0.28 0.42 0.78 -2.00 0.00 0.00 178.31 178.43 2krt h GLY 76 N 0.56 0.98 1.13 6.09 0.00 -2.01 -2.28 103.07 107.54 2krt h GLY 76 Ca 0.33 -0.31 0.06 0.00 0.00 0.00 0.00 47.33 47.41 2krt h GLY 76 CO -0.11 0.26 0.43 1.76 0.00 0.00 0.00 176.54 178.87 2krt h SER 77 N 0.81 0.56 -0.49 0.19 0.02 -1.58 -1.00 113.55 112.06 2krt h SER 77 Ca 0.28 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.21 2krt h SER 77 Cb 0.04 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 2krt h SER 77 CO -0.12 0.36 0.24 0.00 -1.14 0.00 0.00 176.83 176.17 2krt h ALA 78 N 1.65 1.42 0.03 3.77 0.00 -1.21 -1.65 119.26 123.28 2krt h ALA 78 Ca 0.28 -0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.86 2krt h ALA 78 Cb 0.28 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 17.87 2krt h ALA 78 CO -0.09 0.45 -0.82 -0.91 0.00 0.00 0.00 179.25 177.88 2krt h ASN 79 N 0.75 0.67 0.13 0.00 2.35 -1.08 0.11 115.58 118.51 2krt h ASN 79 Ca 0.19 -0.78 -0.15 0.00 -0.55 0.00 0.00 56.30 55.00 2krt h ASN 79 Cb 0.11 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 2krt h ASN 79 CO -0.02 1.37 -0.54 0.07 -1.65 0.00 0.00 177.43 176.66 2krt h LYS 80 N 0.05 0.44 0.06 0.81 2.10 -1.26 -0.16 116.57 118.61 2krt h LYS 80 Ca -0.11 -0.27 -0.38 0.00 -2.00 0.00 0.00 60.65 57.89 2krt h LYS 80 Cb 1.53 0.03 -0.05 0.00 -0.90 0.00 0.00 32.23 32.84 2krt h LYS 80 CO 0.16 0.87 -2.25 0.09 -2.00 0.00 0.00 179.45 176.32 2krt n ASN 81 N -3.95 2.00 -0.09 7.07 4.13 -0.63 -2.82 115.26 120.97 2krt n ASN 81 Ca -0.03 0.03 -0.01 0.00 1.68 0.00 0.00 54.58 56.25 2krt n ASN 81 Cb 0.59 -0.59 -0.01 0.00 -1.54 0.00 0.00 39.78 38.23 2krt n ASN 81 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2krt n GLY 82 N 2.12 0.50 3.88 7.41 0.00 0.38 -4.76 105.19 114.73 2krt n GLY 82 Ca -0.39 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.95 5.44 0.06 2.61 -4.23 -1.26 -3.69 115.64 112.63 2krt s THR 83 Ca 0.00 0.07 0.09 0.00 -1.18 0.00 0.00 61.69 60.67 2krt s THR 83 Cb 0.00 -3.42 -0.03 0.00 1.34 0.00 0.00 72.50 70.39 2krt s THR 83 CO 0.00 0.52 -0.24 -0.76 -0.54 0.00 0.00 174.62 173.61 2krt s LEU 84 N -1.32 2.20 -0.37 4.79 1.43 0.29 -4.15 118.68 121.55 2krt s LEU 84 Ca 0.19 -0.59 -0.09 0.00 -1.03 0.00 0.00 54.13 52.62 2krt s LEU 84 Cb -0.12 -1.12 0.05 0.00 0.03 0.00 0.00 46.19 45.03 2krt s LEU 84 CO 0.09 0.19 0.18 -0.54 0.23 0.00 0.00 176.35 176.50 2krt s LYS 85 N -1.36 2.66 -0.04 1.70 1.02 -0.14 -1.57 119.74 122.01 2krt s LYS 85 Ca 0.10 -1.25 -0.29 0.00 0.02 0.00 0.00 55.97 54.55 2krt s LYS 85 Cb -0.09 -3.64 -0.03 0.00 -0.52 0.00 0.00 37.83 33.55 2krt s LYS 85 CO 0.03 -0.77 0.96 -0.51 -0.92 0.00 0.00 175.35 174.13 2krt s LEU 86 N 1.45 4.33 -0.69 3.17 2.01 0.03 -0.64 118.68 128.34 2krt s LEU 86 Ca 0.01 1.57 -0.17 0.00 0.01 0.00 0.00 54.13 55.54 2krt s LEU 86 Cb -0.20 -3.51 0.14 0.00 0.01 0.00 0.00 46.19 42.62 2krt s LEU 86 CO 0.04 -0.30 0.75 -0.55 1.01 0.00 0.00 176.35 177.30 2krt s SER 87 N 1.02 6.37 -0.06 2.29 0.15 -0.89 -1.20 113.70 121.38 2krt s SER 87 Ca 0.49 -1.84 -0.08 0.00 0.70 0.00 0.00 55.95 55.22 2krt s SER 87 Cb -0.20 -2.28 -0.05 0.00 -1.71 0.00 0.00 66.02 61.78 2krt s SER 87 CO 0.24 -0.96 0.23 -0.76 1.20 0.00 0.00 173.24 173.19 2krt s LEU 88 N 2.00 4.40 -0.33 3.45 1.02 0.24 -0.70 118.68 128.77 2krt s LEU 88 Ca 0.15 0.59 -0.01 0.00 0.02 0.00 0.00 54.13 54.88 2krt s LEU 88 Cb -0.19 -2.34 0.07 0.00 0.02 0.00 0.00 46.19 43.75 2krt s LEU 88 CO 0.00 0.35 0.04 0.00 0.02 0.00 0.00 176.35 176.76 2krt s MET 89 N -1.25 2.21 -0.16 1.70 0.23 -0.22 -0.70 119.30 121.11 2krt s MET 89 Ca 0.20 -1.47 -0.28 0.00 -1.03 0.00 0.00 55.69 53.11 2krt s MET 89 Cb -0.13 -3.25 -0.01 0.00 -1.53 0.00 0.00 34.83 29.91 2krt s MET 89 CO 0.09 -0.75 0.97 -0.51 -2.03 0.00 0.00 175.02 172.79 2krt s LEU 90 N 1.18 4.18 -0.26 0.18 2.01 0.20 -3.21 118.68 122.95 2krt s LEU 90 Ca -0.01 1.38 -0.10 0.00 0.01 0.00 0.00 54.13 55.42 2krt s LEU 90 Cb -0.20 -3.46 -0.05 0.00 0.01 0.00 0.00 46.19 42.49 2krt s LEU 90 CO -0.03 -0.51 0.15 -0.89 1.01 0.00 0.00 176.35 176.09 2krt s THR 91 N 2.46 5.15 0.02 5.49 2.01 -0.76 -0.92 115.64 129.09 2krt s THR 91 Ca 0.44 0.11 -0.30 0.00 0.31 0.00 0.00 61.69 62.25 2krt s THR 91 Cb -0.17 -3.42 -0.07 0.00 0.01 0.00 0.00 72.50 68.85 2krt s THR 91 CO 0.12 0.31 1.62 -1.81 -0.69 0.00 0.00 174.62 174.17 2krt s ASP 92 N 1.41 6.66 0.00 3.53 1.11 -1.04 -1.29 116.67 127.06 2krt s ASP 92 Ca 0.07 2.36 0.18 0.00 0.18 0.00 0.00 52.55 55.34 2krt s ASP 92 Cb -0.15 -2.55 0.79 0.00 1.07 0.00 0.00 42.92 42.07 2krt s ASP 92 CO 0.07 -0.87 1.58 0.29 1.18 0.00 0.00 175.17 177.41 2krt n LYS 93 N 6.03 0.02 0.02 8.23 4.76 -0.64 -2.02 118.16 134.57 2krt n LYS 93 Ca 0.16 0.18 -0.02 0.00 -2.87 0.00 0.00 58.31 55.76 2krt n LYS 93 Cb 0.42 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.10 2krt n LYS 93 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2krt n LYS 94 N -1.48 0.10 0.23 1.97 4.76 -1.26 -4.75 118.16 117.72 2krt n LYS 94 Ca 0.05 0.04 0.15 0.00 -2.87 0.00 0.00 58.31 55.68 2krt n LYS 94 Cb 0.21 -0.67 0.57 0.00 -1.84 0.00 0.00 35.03 33.30 2krt n LYS 94 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 2krt h ASN 95 N -0.20 0.00 -1.89 4.39 2.35 -1.96 -3.46 115.58 114.81 2krt h ASN 95 Ca 0.00 0.00 -0.42 0.00 -0.55 0.00 0.00 56.30 55.33 2krt h ASN 95 Cb 0.20 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.46 2krt h ASN 95 CO 0.00 0.00 -0.44 0.59 -1.65 0.00 0.00 177.43 175.93 2krt n ASN 96 N -2.83 -5.60 -2.64 5.81 3.02 -0.85 -4.98 115.26 107.19 2krt n ASN 96 Ca 0.02 0.29 -0.06 0.00 -0.03 0.00 0.00 54.58 54.79 2krt n ASN 96 Cb 0.32 -4.82 0.03 0.00 -0.61 0.00 0.00 39.78 34.70 2krt n ASN 96 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2krt n GLN 97 N -2.64 0.31 -3.51 3.52 1.13 -1.26 -4.81 117.38 110.12 2krt n GLN 97 Ca -0.22 -0.69 -0.19 0.00 -1.94 0.00 0.00 57.00 53.96 2krt n GLN 97 Cb 0.68 -0.20 -0.13 0.00 0.11 0.00 0.00 30.24 30.69 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 -0.80 -0.30 0.03 5.09 0.11 -1.26 -2.49 120.40 120.79 2krt s VAL 98 Ca 0.18 -0.11 -0.01 0.00 -2.93 0.00 0.00 61.98 59.11 2krt s VAL 98 Cb -0.01 -0.66 -0.04 0.00 -1.53 0.00 0.00 36.38 34.14 2krt s VAL 98 CO 0.12 -0.21 0.16 -0.47 -3.33 0.00 0.00 175.10 171.37 2krt s TYR 99 N 2.30 3.45 -0.05 1.54 5.04 -0.09 -4.90 117.35 124.64 2krt s TYR 99 Ca 0.06 0.26 0.01 0.00 -2.44 0.00 0.00 57.07 54.96 2krt s TYR 99 Cb -0.16 -1.76 -0.03 0.00 0.35 0.00 0.00 41.96 40.36 2krt s TYR 99 CO -0.12 0.59 -0.06 0.71 -1.34 0.00 0.00 175.55 175.33 2krt s TYR 100 N -1.38 2.94 -0.06 4.97 2.02 -1.26 0.59 117.35 125.16 2krt s TYR 100 Ca 0.30 0.02 -0.06 0.00 -0.37 0.00 0.00 57.07 56.96 2krt s TYR 100 Cb -0.13 -1.69 0.02 0.00 -0.40 0.00 0.00 41.96 39.76 2krt s TYR 100 CO 0.22 0.35 0.17 0.21 -1.57 0.00 0.00 175.55 174.92 2krt s LYS 101 N -0.94 0.19 -0.15 -0.62 2.47 0.13 -4.98 119.74 115.84 2krt s LYS 101 Ca 0.13 0.24 -0.05 0.00 -1.56 0.00 0.00 55.97 54.74 2krt s LYS 101 Cb -0.11 0.08 -0.04 0.00 -1.46 0.00 0.00 37.83 36.31 2krt s LYS 101 CO 0.03 -0.03 0.02 -0.51 0.16 0.00 0.00 175.35 175.02 2krt s LEU 102 N 0.15 3.63 -0.21 5.43 1.43 -1.25 -0.59 118.68 127.26 2krt s LEU 102 Ca -0.00 0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.13 2krt s LEU 102 Cb -0.02 -1.88 -0.00 0.00 0.03 0.00 0.00 46.19 44.32 2krt s LEU 102 CO -0.00 0.24 -0.09 -0.76 0.23 0.00 0.00 176.35 175.97 2krt s LEU 103 N -0.04 2.67 -0.39 1.79 1.43 -0.34 -4.88 118.68 118.93 2krt s LEU 103 Ca 0.04 -0.47 -0.19 0.00 -1.03 0.00 0.00 54.13 52.49 2krt s LEU 103 Cb -0.13 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.44 2krt s LEU 103 CO 0.02 -0.01 0.55 -1.61 0.23 0.00 0.00 176.35 175.53 2krt s GLU 104 N 1.42 3.45 0.33 1.70 8.01 -1.26 -0.79 118.70 131.55 2krt s GLU 104 Ca 0.05 -0.29 0.03 0.00 0.01 0.00 0.00 54.97 54.78 2krt s GLU 104 Cb -0.14 -3.87 -0.05 0.00 -4.31 0.00 0.00 34.13 25.76 2krt s GLU 104 CO -0.06 -0.79 0.09 0.14 0.01 0.00 0.00 175.26 174.65 2krt s VAL 105 N 2.51 0.84 0.22 2.63 -7.23 -0.61 -4.96 120.40 113.81 2krt s VAL 105 Ca 0.19 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.38 2krt s VAL 105 Cb -0.15 -2.64 -0.01 0.00 0.56 0.00 0.00 36.38 34.15 2krt s VAL 105 CO 0.15 0.00 0.26 -1.54 -0.31 0.00 0.00 175.10 173.66 2krt n SER 106 N -0.79 -0.71 0.00 4.85 3.41 -1.26 -0.55 113.62 118.58 2krt n SER 106 Ca -0.02 -2.33 0.00 0.00 -0.26 0.00 0.00 58.87 56.26 2krt n SER 106 Cb 0.66 1.42 0.00 0.00 -0.26 0.00 0.00 64.21 66.03 2krt n SER 106 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2krt n GLY 107 N -0.39 1.29 0.13 5.00 0.00 -1.24 -4.98 105.19 104.99 2krt n GLY 107 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 0.35 -3.33 1.61 0.04 -1.81 -3.47 116.94 110.32 2krt h PHE 108 Ca 0.00 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2krt h PHE 108 Cb 0.00 -0.11 -0.07 0.00 2.20 0.00 0.00 35.95 37.97 2krt h PHE 108 CO 0.00 0.34 0.05 0.21 -0.60 0.00 0.00 178.31 178.31 2krt s LYS 109 N -5.68 1.63 -0.30 1.51 2.47 -1.26 -4.75 119.74 113.37 2krt s LYS 109 Ca -0.13 -1.10 -0.11 0.00 -1.56 0.00 0.00 55.97 53.06 2krt s LYS 109 Cb 0.08 0.54 0.17 0.00 -1.46 0.00 0.00 37.83 37.16 2krt s LYS 109 CO 0.71 -0.71 0.91 -1.54 0.16 0.00 0.00 175.35 174.88 2krt s SER 110 N -2.96 -0.74 -0.55 1.43 1.04 -1.26 -3.91 113.70 106.75 2krt s SER 110 Ca 0.16 0.72 0.06 0.00 0.48 0.00 0.00 55.95 57.37 2krt s SER 110 Cb -0.03 1.72 0.22 0.00 0.10 0.00 0.00 66.02 68.04 2krt s SER 110 CO 0.07 -0.14 0.58 0.59 0.98 0.00 0.00 173.24 175.31 2krt n ASN 111 N 5.25 1.97 0.06 7.02 4.13 -0.07 -4.94 115.26 128.68 2krt n ASN 111 Ca -0.07 -3.03 -0.02 0.00 1.68 0.00 0.00 54.58 53.14 2krt n ASN 111 Cb 0.52 -0.66 -0.01 0.00 -1.54 0.00 0.00 39.78 38.09 2krt n ASN 111 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2krt h PRO 112 N 4.57 -0.16 0.00 3.52 0.13 -1.76 -3.35 132.00 134.95 2krt h PRO 112 Ca 0.16 0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.27 2krt h PRO 112 Cb 0.78 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.94 2krt h PRO 112 CO 0.64 -0.10 -1.19 2.48 -0.23 0.00 0.00 178.00 179.59 2krt n TYR 113 N -2.95 0.88 0.24 1.56 0.18 -1.26 -4.18 117.16 111.63 2krt n TYR 113 Ca -0.02 0.26 0.03 0.00 1.88 0.00 0.00 57.90 60.06 2krt n TYR 113 Cb 0.06 -0.95 0.14 0.00 -0.38 0.00 0.00 39.34 38.22 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 -2.69 0.00 -0.24 -3.48 4.77 -1.26 -2.31 117.00 111.79 2krt n LEU 114 Ca -0.03 0.43 -0.01 0.00 -0.03 0.00 0.00 56.01 56.38 2krt n LEU 114 Cb 0.62 -0.43 0.11 0.00 -2.33 0.00 0.00 43.42 41.38 2krt n LEU 114 CO 0.41 -0.34 1.10 1.05 -1.33 0.00 0.00 177.39 178.28 2krt h GLU 115 N 0.00 0.70 -6.17 3.23 4.11 -1.73 -3.38 114.58 111.34 2krt h GLU 115 Ca 0.00 -0.04 -0.68 0.00 0.07 0.00 0.00 59.36 58.71 2krt h GLU 115 Cb 0.09 -0.16 -0.18 0.00 0.50 0.00 0.00 28.75 29.01 2krt h GLU 115 CO 0.00 0.46 -0.69 -3.38 0.07 0.00 0.00 179.01 175.47 2krt s HIS 116 N -6.08 2.95 -1.32 2.06 -3.43 -0.98 -4.63 115.29 103.87 2krt s HIS 116 Ca -0.13 0.02 0.00 0.00 -0.80 0.00 0.00 55.06 54.16 2krt s HIS 116 Cb 0.17 -1.68 0.00 0.00 -1.43 0.00 0.00 32.58 29.63 2krt s HIS 116 CO 0.76 0.37 0.00 0.72 -2.00 0.00 0.00 174.74 174.59 2krt n HIS 117 N 1.95 -1.04 0.38 0.38 8.25 -1.26 -4.82 115.22 119.06 2krt n HIS 117 Ca -0.17 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.39 2krt n HIS 117 Cb 0.53 -2.96 0.44 0.00 1.12 0.00 0.00 29.99 29.11 2krt n HIS 117 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2krt n HIS 118 N -3.11 0.58 1.00 4.41 1.44 -1.26 0.06 115.22 118.34 2krt n HIS 118 Ca -0.16 0.24 0.11 0.00 -2.01 0.00 0.00 57.72 55.89 2krt n HIS 118 Cb 0.59 -0.88 0.33 0.00 0.12 0.00 0.00 29.99 30.14 2krt n HIS 118 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2krt n HIS 119 N -2.04 0.26 -3.69 -1.40 -0.00 -1.26 -4.95 115.22 102.14 2krt n HIS 119 Ca 0.02 -0.13 -0.24 0.00 -0.00 0.00 0.00 57.72 57.37 2krt n HIS 119 Cb 0.18 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.23 2krt n HIS 119 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2krt n HIS 120 N 0.66 -2.33 1.64 1.57 -0.00 0.11 -5.29 115.22 111.57 2krt n HIS 120 Ca 0.17 0.92 0.13 0.00 0.46 0.00 0.00 57.72 59.40 2krt n HIS 120 Cb 0.41 -4.57 0.78 0.00 -0.12 0.00 0.00 29.99 26.49 2krt n HIS 120 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38