#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2krt n LEU 2 N 0.00 2.94 -4.86 3.17 7.99 -1.26 -4.97 117.00 120.01 2krt n LEU 2 Ca 0.00 -0.12 -0.33 0.00 -0.01 0.00 0.00 56.01 55.55 2krt n LEU 2 Cb 0.00 -0.88 -0.06 0.00 -0.11 0.00 0.00 43.42 42.38 2krt n LEU 2 CO 0.00 0.91 0.25 -0.55 -1.51 0.00 0.00 177.39 176.49 2krt s SER 3 N -6.48 6.73 -0.24 -1.43 0.15 -1.26 -5.03 113.70 106.15 2krt s SER 3 Ca -0.34 1.03 0.16 0.00 0.70 0.00 0.00 55.95 57.51 2krt s SER 3 Cb 0.09 -2.27 0.48 0.00 -1.71 0.00 0.00 66.02 62.60 2krt s SER 3 CO 0.58 -0.02 1.16 0.00 1.20 0.00 0.00 173.24 176.15 2krt n GLN 4 N 0.22 2.29 -2.17 5.44 10.64 -1.26 -4.93 117.38 127.60 2krt n GLN 4 Ca -0.01 -3.60 -0.28 0.00 -1.83 0.00 0.00 57.00 51.27 2krt n GLN 4 Cb 0.52 -1.72 0.05 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 -3.32 3.11 0.40 2.61 0.00 -1.26 -4.92 121.76 118.38 2krt s ALA 5 Ca 0.38 -0.63 0.13 0.00 0.00 0.00 0.00 51.96 51.84 2krt s ALA 5 Cb 0.37 -2.76 0.95 0.00 0.00 0.00 0.00 23.12 21.68 2krt s ALA 5 CO -0.02 -1.06 1.90 -0.91 0.00 0.00 0.00 175.76 175.67 2krt h ASN 6 N -0.46 0.51 0.25 0.00 2.35 -2.00 -0.66 115.58 115.57 2krt h ASN 6 Ca -0.45 0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 55.23 2krt h ASN 6 Cb 1.27 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.56 2krt h ASN 6 CO 0.62 0.26 -0.37 1.05 -1.65 0.00 0.00 177.43 177.34 2krt h GLU 7 N 0.54 0.18 -0.11 0.81 4.11 -1.99 -1.44 114.58 116.67 2krt h GLU 7 Ca 0.40 -0.07 -0.01 0.00 0.07 0.00 0.00 59.36 59.75 2krt h GLU 7 Cb 0.79 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 2krt h GLU 7 CO -0.16 0.53 0.02 -0.44 0.07 0.00 0.00 179.01 179.04 2krt h ASP 8 N 0.15 0.17 0.03 3.06 3.32 -1.48 -2.00 116.42 119.66 2krt h ASP 8 Ca 0.02 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 56.82 2krt h ASP 8 Cb 0.73 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.24 2krt h ASP 8 CO 0.06 0.37 -0.02 -0.26 -1.72 0.00 0.00 179.24 177.67 2krt h PHE 9 N -0.04 -0.04 -0.94 4.55 -1.00 -1.33 -1.61 116.94 116.53 2krt h PHE 9 Ca 0.03 -0.00 0.07 0.00 2.81 0.00 0.00 57.97 60.88 2krt h PHE 9 Cb 0.27 0.01 -0.07 0.00 3.61 0.00 0.00 35.95 39.78 2krt h PHE 9 CO 0.01 0.05 0.60 1.57 -1.61 0.00 0.00 178.31 178.93 2krt h LYS 10 N -0.12 1.04 -0.21 1.51 2.10 -1.32 -1.76 116.57 117.82 2krt h LYS 10 Ca -0.00 -0.06 0.02 0.00 -2.00 0.00 0.00 60.65 58.60 2krt h LYS 10 Cb 0.11 -0.24 -0.02 0.00 -0.90 0.00 0.00 32.23 31.18 2krt h LYS 10 CO 0.01 0.69 0.08 -0.22 -2.00 0.00 0.00 179.45 178.01 2krt h LYS 11 N 1.07 0.18 -0.60 0.07 3.11 -1.08 -0.25 116.57 119.07 2krt h LYS 11 Ca 0.41 -0.01 0.05 0.00 -2.81 0.00 0.00 60.65 58.29 2krt h LYS 11 Cb 0.19 -0.04 -0.05 0.00 -1.00 0.00 0.00 32.23 31.34 2krt h LYS 11 CO -0.18 0.12 0.34 0.82 -2.81 0.00 0.00 179.45 177.73 2krt h ILE 12 N 0.18 0.99 -0.04 2.00 2.04 -0.62 -0.21 117.51 121.85 2krt h ILE 12 Ca 0.09 -0.22 -0.17 0.00 1.00 0.00 0.00 64.86 65.55 2krt h ILE 12 Cb 0.05 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 2krt h ILE 12 CO -0.08 0.12 -0.74 0.58 0.00 0.00 0.00 178.15 178.03 2krt h VAL 13 N 0.64 1.43 0.00 1.67 2.07 -1.01 -3.02 116.25 118.03 2krt h VAL 13 Ca 0.26 -2.26 -0.09 0.00 0.82 0.00 0.00 66.70 65.43 2krt h VAL 13 Cb 0.13 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 2krt h VAL 13 CO -0.15 0.67 -0.54 0.78 0.02 0.00 0.00 177.57 178.34 2krt h ASN 14 N 0.17 0.00 -0.44 0.57 2.35 -0.88 -3.28 115.58 114.07 2krt h ASN 14 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2krt h ASN 14 Cb 1.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.67 2krt h ASN 14 CO 0.12 0.41 0.00 0.59 -1.65 0.00 0.00 177.43 176.89 2krt n ASN 15 N -3.14 2.36 -4.63 5.81 3.02 -0.11 -4.91 115.26 113.66 2krt n ASN 15 Ca 0.01 -1.99 -0.43 0.00 -0.03 0.00 0.00 54.58 52.14 2krt n ASN 15 Cb 0.71 -0.29 -0.03 0.00 -0.61 0.00 0.00 39.78 39.56 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 -1.42 3.14 0.13 2.41 1.01 -1.15 -4.81 121.20 120.51 2krt s ILE 16 Ca 0.30 0.15 0.10 0.00 0.00 0.00 0.00 60.65 61.21 2krt s ILE 16 Cb 0.16 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 2krt s ILE 16 CO 0.20 -0.06 -0.26 -0.60 0.00 0.00 0.00 174.94 174.23 2krt s ARG 17 N 5.27 1.36 0.00 2.79 6.06 -1.26 -4.95 118.95 128.22 2krt s ARG 17 Ca 0.90 -1.33 0.00 0.00 -2.50 0.00 0.00 55.73 52.80 2krt s ARG 17 Cb -0.36 -1.80 0.00 0.00 0.06 0.00 0.00 34.95 32.86 2krt s ARG 17 CO 0.37 0.42 0.53 1.47 -2.50 0.00 0.00 175.30 175.59 2krt n LEU 18 N 0.89 0.31 0.00 -0.88 -0.00 -1.26 -0.88 117.00 115.17 2krt n LEU 18 Ca -0.18 -0.15 0.00 0.00 -0.00 0.00 0.00 56.01 55.68 2krt n LEU 18 Cb 0.53 -0.15 0.00 0.00 -0.00 0.00 0.00 43.42 43.80 2krt n LEU 18 CO 0.23 0.08 0.00 1.17 -0.00 0.00 0.00 177.39 178.87 2krt n LYS 19 N -0.21 0.00 -0.05 1.47 4.81 -1.23 -3.64 118.16 119.32 2krt n LYS 19 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 2krt n LYS 19 Cb 0.08 -0.33 -0.07 0.00 0.02 0.00 0.00 35.03 34.72 2krt n LYS 19 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2krt h ASP 20 N 0.00 0.34 0.03 3.14 3.58 -1.94 -3.41 116.42 118.16 2krt h ASP 20 Ca 0.00 -0.46 -0.39 0.00 0.42 0.00 0.00 57.03 56.60 2krt h ASP 20 Cb 0.00 -0.09 -0.06 0.00 1.72 0.00 0.00 39.33 40.90 2krt h ASP 20 CO 0.00 0.73 -2.32 0.41 -2.88 0.00 0.00 179.24 175.17 2krt n THR 21 N -4.60 1.56 -3.32 2.25 -1.04 -0.06 -4.44 114.28 104.63 2krt n THR 21 Ca -0.06 -0.53 0.00 0.00 -2.04 0.00 0.00 64.05 61.42 2krt n THR 21 Cb 0.33 -1.59 -0.03 0.00 -1.82 0.00 0.00 70.33 67.22 2krt n THR 21 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 2krt s PHE 22 N -2.52 -1.39 -0.67 -1.42 -0.71 -0.73 -1.35 117.98 109.19 2krt s PHE 22 Ca -0.33 1.71 -0.23 0.00 -1.04 0.00 0.00 56.93 57.04 2krt s PHE 22 Cb 0.09 0.52 0.06 0.00 -1.21 0.00 0.00 43.02 42.49 2krt s PHE 22 CO 0.62 -0.79 1.01 0.16 -1.34 0.00 0.00 175.22 174.89 2krt s ASP 23 N 2.81 6.18 0.42 1.98 -4.77 -1.24 -3.52 116.67 118.52 2krt s ASP 23 Ca 0.13 -0.87 -0.04 0.00 -3.30 0.00 0.00 52.55 48.47 2krt s ASP 23 Cb -0.14 -2.44 -0.04 0.00 -1.09 0.00 0.00 42.92 39.21 2krt s ASP 23 CO -0.19 -1.50 0.69 0.72 0.70 0.00 0.00 175.17 175.60 2krt s PHE 24 N 4.33 3.53 0.09 2.11 -0.71 -1.26 -4.07 117.98 122.01 2krt s PHE 24 Ca 0.25 0.68 0.07 0.00 -1.04 0.00 0.00 56.93 56.89 2krt s PHE 24 Cb -0.15 -2.17 -0.03 0.00 -1.21 0.00 0.00 43.02 39.45 2krt s PHE 24 CO 0.11 -0.11 -0.18 0.21 -1.34 0.00 0.00 175.22 173.91 2krt s LYS 25 N -4.45 1.02 -0.20 1.99 2.20 0.02 -4.73 119.74 115.59 2krt s LYS 25 Ca 0.45 -1.10 -0.20 0.00 -0.36 0.00 0.00 55.97 54.77 2krt s LYS 25 Cb -0.10 -1.18 -0.03 0.00 -1.51 0.00 0.00 37.83 35.01 2krt s LYS 25 CO 0.40 0.27 0.58 -0.51 -0.36 0.00 0.00 175.35 175.73 2krt s LEU 26 N -1.88 4.14 0.42 5.43 2.01 -1.26 -1.05 118.68 126.50 2krt s LEU 26 Ca 0.04 0.76 0.10 0.00 0.01 0.00 0.00 54.13 55.04 2krt s LEU 26 Cb -0.10 -2.81 0.94 0.00 0.01 0.00 0.00 46.19 44.23 2krt s LEU 26 CO 0.04 -0.23 2.03 0.00 1.01 0.00 0.00 176.35 179.19 2krt h ALA 27 N 7.48 1.84 0.00 4.21 0.00 -1.73 -0.39 119.26 130.68 2krt h ALA 27 Ca -0.32 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2krt h ALA 27 Cb 1.15 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2krt h ALA 27 CO 0.76 0.09 -0.08 0.00 0.00 0.00 0.00 179.25 180.01 2krt h ALA 28 N 1.73 0.95 -2.74 0.00 0.00 -1.91 -3.39 119.26 113.89 2krt h ALA 28 Ca 0.20 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.51 2krt h ALA 28 Cb 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.59 2krt h ALA 28 CO -0.05 0.00 -0.77 -0.06 0.00 0.00 0.00 179.25 178.36 2krt s PHE 29 N -3.13 2.26 -0.46 0.00 0.08 -0.16 -4.99 117.98 111.58 2krt s PHE 29 Ca 0.09 -2.78 0.24 0.00 0.12 0.00 0.00 56.93 54.61 2krt s PHE 29 Cb 0.11 -1.80 1.00 0.00 -0.57 0.00 0.00 43.02 41.76 2krt s PHE 29 CO 0.62 -0.70 1.71 -0.35 -0.10 0.00 0.00 175.22 176.41 2krt n PRO 30 N 2.54 0.20 -0.02 0.24 -0.04 -1.22 -2.57 135.00 134.14 2krt n PRO 30 Ca 0.23 0.43 0.02 0.00 -0.04 0.00 0.00 63.50 64.14 2krt n PRO 30 Cb 0.41 -1.88 0.02 0.00 -0.04 0.00 0.00 33.50 32.01 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 -2.26 1.97 -4.92 3.54 5.03 -1.26 -5.00 115.26 112.36 2krt n ASN 31 Ca 0.02 -2.14 -0.21 0.00 0.87 0.00 0.00 54.58 53.11 2krt n ASN 31 Cb 0.22 -0.07 -0.03 0.00 -1.02 0.00 0.00 39.78 38.88 2krt n ASN 31 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2krt s GLN 32 N -1.27 3.25 0.12 3.52 -1.52 -1.06 -5.13 119.66 117.57 2krt s GLN 32 Ca 0.05 -0.87 0.09 0.00 -1.95 0.00 0.00 55.36 52.68 2krt s GLN 32 Cb 0.05 -2.77 -0.04 0.00 -0.22 0.00 0.00 33.01 30.03 2krt s GLN 32 CO 0.00 0.41 -0.21 -0.80 -0.25 0.00 0.00 175.29 174.44 2krt s ASN 33 N -3.94 2.67 0.66 5.90 0.01 -1.26 -4.66 114.94 114.32 2krt s ASN 33 Ca 0.34 -0.72 0.34 0.00 -0.71 0.00 0.00 52.86 52.11 2krt s ASN 33 Cb -0.09 -0.15 1.87 0.00 0.41 0.00 0.00 41.25 43.29 2krt s ASN 33 CO 0.28 0.06 2.06 0.10 -1.51 0.00 0.00 177.10 178.09 2krt h TYR 34 N 3.91 0.00 0.00 2.20 -0.00 -1.90 0.77 116.97 121.94 2krt h TYR 34 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.27 2krt h TYR 34 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.91 2krt h TYR 34 CO 0.63 0.00 0.00 -3.47 -0.00 0.00 0.00 178.16 175.32 2krt n ASP 35 N -2.99 0.24 0.00 0.10 2.03 -1.26 -4.38 116.55 110.29 2krt n ASP 35 Ca -0.02 0.53 0.00 0.00 0.52 0.00 0.00 54.79 55.82 2krt n ASP 35 Cb 0.29 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 40.10 2krt n ASP 35 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2krt n GLN 36 N -1.73 0.00 -2.20 -0.67 6.02 0.07 -4.87 117.38 114.01 2krt n GLN 36 Ca 0.06 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.65 2krt n GLN 36 Cb 0.35 -0.58 -0.03 0.00 1.02 0.00 0.00 30.24 31.00 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 -5.18 4.45 0.27 1.08 1.98 -0.10 -4.96 118.68 116.22 2krt s LEU 37 Ca 0.00 2.55 -0.30 0.00 -2.89 0.00 0.00 54.13 53.49 2krt s LEU 37 Cb 0.00 -3.64 -0.11 0.00 0.66 0.00 0.00 46.19 43.11 2krt s LEU 37 CO 0.00 -0.47 1.50 -0.76 -1.89 0.00 0.00 176.35 174.73 2krt s LEU 38 N -1.31 4.37 0.31 -0.68 1.43 -1.26 -4.83 118.68 116.71 2krt s LEU 38 Ca 0.50 2.79 0.07 0.00 -1.03 0.00 0.00 54.13 56.45 2krt s LEU 38 Cb -0.38 -3.63 0.77 0.00 0.03 0.00 0.00 46.19 42.99 2krt s LEU 38 CO 0.47 -0.78 1.77 1.55 0.23 0.00 0.00 176.35 179.58 2krt h PRO 39 N 4.87 0.70 -0.04 1.29 0.13 -1.93 -0.29 132.00 136.74 2krt h PRO 39 Ca -0.47 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2krt h PRO 39 Cb 1.22 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 2krt h PRO 39 CO 0.78 0.47 0.02 1.03 -0.23 0.00 0.00 178.00 180.06 2krt h SER 40 N 0.73 0.05 0.23 1.44 0.87 -1.94 -1.91 113.55 113.02 2krt h SER 40 Ca 0.59 -0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 60.97 2krt h SER 40 Cb 0.97 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.91 2krt h SER 40 CO -0.40 0.12 -0.38 1.56 -0.53 0.00 0.00 176.83 177.20 2krt h GLN 41 N -0.03 0.21 -0.18 2.24 1.08 -1.64 -2.38 115.11 114.42 2krt h GLN 41 Ca 0.01 -0.09 0.02 0.00 -1.45 0.00 0.00 58.65 57.14 2krt h GLN 41 Cb 0.09 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 2krt h GLN 41 CO -0.00 0.57 0.06 0.82 -0.95 0.00 0.00 178.83 179.33 2krt h ILE 42 N 0.18 0.96 -0.27 2.54 2.04 -0.96 -2.72 117.51 119.29 2krt h ILE 42 Ca 0.02 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 2krt h ILE 42 Cb 0.76 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 2krt h ILE 42 CO 0.06 0.03 0.15 0.22 0.00 0.00 0.00 178.15 178.61 2krt h TYR 43 N 0.15 0.34 0.00 1.37 3.20 -0.95 -2.38 116.97 118.71 2krt h TYR 43 Ca 0.07 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.95 2krt h TYR 43 Cb 0.04 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.20 2krt h TYR 43 CO -0.11 0.24 0.00 0.87 -1.64 0.00 0.00 178.16 177.52 2krt h LYS 44 N 0.36 0.00 0.00 1.82 1.79 -1.10 -1.09 116.57 118.35 2krt h LYS 44 Ca 0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 2krt h LYS 44 Cb -0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2krt h LYS 44 CO -0.02 0.00 0.00 0.09 -1.08 0.00 0.00 179.45 178.44 2krt n ASN 45 N -2.32 0.00 -0.11 0.86 3.02 -0.90 -3.19 115.26 112.62 2krt n ASN 45 Ca -0.01 -0.40 0.15 0.00 -0.03 0.00 0.00 54.58 54.30 2krt n ASN 45 Cb 0.09 -0.09 0.54 0.00 -0.61 0.00 0.00 39.78 39.70 2krt n ASN 45 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 2krt h TYR 46 N 0.00 0.38 0.10 3.10 -0.00 -1.42 0.36 116.97 119.49 2krt h TYR 46 Ca 0.00 0.01 -0.33 0.00 -0.00 0.00 0.00 58.73 58.41 2krt h TYR 46 Cb 0.06 -0.12 -0.02 0.00 -0.00 0.00 0.00 36.73 36.65 2krt h TYR 46 CO 0.00 0.16 -1.77 -0.92 -0.00 0.00 0.00 178.16 175.62 2krt h TYR 47 N 0.34 0.37 0.15 0.10 3.20 -1.82 -3.42 116.97 115.89 2krt h TYR 47 Ca 0.32 -0.27 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 2krt h TYR 47 Cb 0.79 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.05 2krt h TYR 47 CO -0.00 1.47 -0.07 1.96 -1.64 0.00 0.00 178.16 179.87 2krt h GLN 48 N 0.06 -0.20 0.00 1.82 1.08 -1.49 -3.51 115.11 112.87 2krt h GLN 48 Ca -0.33 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.88 2krt h GLN 48 Cb 2.03 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 29.50 2krt h GLN 48 CO 0.11 -0.13 0.00 0.41 -0.95 0.00 0.00 178.83 178.27 2krt n GLY 49 N 1.26 4.00 3.02 3.46 0.00 0.12 -4.91 105.19 112.13 2krt n GLY 49 Ca -0.03 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 2krt n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2krt s ILE 50 N -2.00 1.47 -0.34 -0.61 1.01 -1.26 -1.87 121.20 117.59 2krt s ILE 50 Ca 0.00 -0.59 -0.16 0.00 0.00 0.00 0.00 60.65 59.90 2krt s ILE 50 Cb 0.00 -1.37 -0.01 0.00 0.01 0.00 0.00 42.46 41.09 2krt s ILE 50 CO 0.00 0.44 0.38 -1.61 0.00 0.00 0.00 174.94 174.15 2krt s GLU 51 N 1.25 3.57 -0.05 2.79 0.41 -0.22 -4.96 118.70 121.50 2krt s GLU 51 Ca -0.01 -0.38 -0.03 0.00 -0.41 0.00 0.00 54.97 54.14 2krt s GLU 51 Cb -0.14 -3.81 -0.04 0.00 -1.78 0.00 0.00 34.13 28.37 2krt s GLU 51 CO -0.06 -0.54 0.11 0.42 -0.49 0.00 0.00 175.26 174.70 2krt s ILE 52 N 2.07 5.07 -0.10 -1.63 -1.09 -1.26 -0.80 121.20 123.47 2krt s ILE 52 Ca 0.13 -0.14 0.04 0.00 -2.23 0.00 0.00 60.65 58.44 2krt s ILE 52 Cb -0.16 -3.27 0.00 0.00 -1.58 0.00 0.00 42.46 37.44 2krt s ILE 52 CO 0.12 0.46 -0.24 -1.10 -1.23 0.00 0.00 174.94 172.95 2krt s GLN 53 N -1.46 3.03 -0.81 2.79 -0.21 -1.26 -5.01 119.66 116.73 2krt s GLN 53 Ca 0.20 -0.88 -0.25 0.00 0.02 0.00 0.00 55.36 54.46 2krt s GLN 53 Cb -0.12 -2.29 -0.01 0.00 1.00 0.00 0.00 33.01 31.59 2krt s GLN 53 CO 0.11 0.18 1.76 -0.65 -2.12 0.00 0.00 175.29 174.56 2krt s GLN 54 N 0.34 2.83 0.00 2.91 1.11 -1.26 -4.00 119.66 121.58 2krt s GLN 54 Ca -0.19 -0.15 0.13 0.00 0.01 0.00 0.00 55.36 55.17 2krt s GLN 54 Cb -0.18 -4.80 0.33 0.00 -1.01 0.00 0.00 33.01 27.35 2krt s GLN 54 CO 0.09 -2.84 1.25 1.58 0.01 0.00 0.00 175.29 175.38 2krt n HIS 55 N 12.19 0.47 -1.98 0.91 -0.00 -0.46 -5.01 115.22 121.34 2krt n HIS 55 Ca 0.28 -0.41 0.00 0.00 0.46 0.00 0.00 57.72 58.05 2krt n HIS 55 Cb 0.49 -0.02 0.00 0.00 -0.12 0.00 0.00 29.99 30.35 2krt n HIS 55 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 2krt n LYS 56 N 0.74 0.00 -1.66 1.57 4.81 -1.09 -4.59 118.16 117.94 2krt n LYS 56 Ca 0.13 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.41 2krt n LYS 56 Cb 0.44 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.41 2krt n LYS 56 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2krt s TYR 57 N -1.23 1.28 -0.44 5.64 1.51 -1.26 -4.87 117.35 117.97 2krt s TYR 57 Ca 0.00 1.94 -0.07 0.00 -1.01 0.00 0.00 57.07 57.93 2krt s TYR 57 Cb 0.00 -3.47 0.11 0.00 -0.11 0.00 0.00 41.96 38.50 2krt s TYR 57 CO 0.00 -1.15 0.29 -0.65 -1.11 0.00 0.00 175.55 172.92 2krt s GLN 58 N 8.40 2.32 0.00 -0.62 -1.52 -1.26 -4.51 119.66 122.46 2krt s GLN 58 Ca 0.84 -1.76 0.00 0.00 -1.95 0.00 0.00 55.36 52.50 2krt s GLN 58 Cb -0.08 -3.79 0.00 0.00 -0.22 0.00 0.00 33.01 28.92 2krt s GLN 58 CO 0.12 -1.13 0.00 -1.71 -0.25 0.00 0.00 175.29 172.32 2krt n ASN 59 N 4.80 0.00 -0.04 5.90 2.85 -1.26 -4.97 115.26 122.54 2krt n ASN 59 Ca -0.06 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.40 2krt n ASN 59 Cb 0.41 0.01 -0.12 0.00 1.24 0.00 0.00 39.78 41.33 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 -0.88 1.18 -4.13 1.20 4.07 -1.26 -4.79 120.64 116.03 2krt n GLU 60 Ca 0.00 -0.06 -0.16 0.00 -0.06 0.00 0.00 57.16 56.88 2krt n GLU 60 Cb 0.00 -1.37 -0.15 0.00 -0.06 0.00 0.00 31.44 29.87 2krt n GLU 60 CO 0.00 0.00 0.00 -0.48 -0.06 0.00 0.00 177.13 176.59 2krt s LEU 61 N -4.65 1.83 0.09 4.31 0.05 -1.26 -0.52 118.68 118.52 2krt s LEU 61 Ca -0.06 -0.09 -0.19 0.00 0.05 0.00 0.00 54.13 53.84 2krt s LEU 61 Cb 0.06 -0.28 -0.07 0.00 -2.05 0.00 0.00 46.19 43.86 2krt s LEU 61 CO 0.61 0.03 0.57 -1.81 -0.55 0.00 0.00 176.35 175.20 2krt s ASP 62 N 0.14 7.04 -0.23 1.48 1.01 -0.88 -4.68 116.67 120.55 2krt s ASP 62 Ca -0.01 1.25 0.01 0.00 0.71 0.00 0.00 52.55 54.51 2krt s ASP 62 Cb -0.05 -2.35 0.05 0.00 1.01 0.00 0.00 42.92 41.58 2krt s ASP 62 CO -0.00 0.25 -0.10 -0.63 0.21 0.00 0.00 175.17 174.89 2krt s ILE 63 N -1.17 1.80 -0.05 0.77 1.01 -1.26 -3.40 121.20 118.90 2krt s ILE 63 Ca 0.31 -1.25 -0.04 0.00 0.00 0.00 0.00 60.65 59.66 2krt s ILE 63 Cb -0.19 -1.92 0.01 0.00 0.01 0.00 0.00 42.46 40.38 2krt s ILE 63 CO 0.19 0.06 0.13 -0.54 0.00 0.00 0.00 174.94 174.78 2krt s LYS 64 N 1.30 0.15 -0.08 2.79 1.02 -1.25 -5.01 119.74 118.65 2krt s LYS 64 Ca -0.04 0.20 -0.21 0.00 0.02 0.00 0.00 55.97 55.94 2krt s LYS 64 Cb -0.18 0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.14 2krt s LYS 64 CO -0.07 -0.03 0.59 0.42 -0.92 0.00 0.00 175.35 175.34 2krt s ILE 65 N 0.16 5.09 -0.15 2.17 1.01 -1.26 -1.11 121.20 127.11 2krt s ILE 65 Ca -0.01 1.20 -0.22 0.00 0.00 0.00 0.00 60.65 61.63 2krt s ILE 65 Cb -0.02 -3.93 -0.24 0.00 0.01 0.00 0.00 42.46 38.28 2krt s ILE 65 CO -0.00 0.31 0.53 0.40 0.00 0.00 0.00 174.94 176.17 2krt h ILE 66 N 4.65 1.25 -2.01 2.92 2.04 -1.22 -3.49 117.51 121.65 2krt h ILE 66 Ca -0.42 -2.32 0.15 0.00 1.00 0.00 0.00 64.86 63.27 2krt h ILE 66 Cb 1.19 2.78 -0.03 0.00 -0.74 0.00 0.00 36.82 40.02 2krt h ILE 66 CO 0.75 0.55 0.45 -0.46 0.00 0.00 0.00 178.15 179.43 2krt n ASN 67 N -4.31 -0.94 -4.33 1.72 0.23 -1.26 -4.97 115.26 101.40 2krt n ASN 67 Ca -0.22 -1.40 -0.33 0.00 -0.53 0.00 0.00 54.58 52.10 2krt n ASN 67 Cb 0.70 1.50 -0.14 0.00 -2.08 0.00 0.00 39.78 39.76 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 -3.11 2.83 -0.19 -2.53 0.40 -1.26 -2.67 117.98 111.45 2krt s PHE 68 Ca 0.16 -0.81 -0.10 0.00 -0.60 0.00 0.00 56.93 55.58 2krt s PHE 68 Cb -0.01 -1.91 -0.05 0.00 0.51 0.00 0.00 43.02 41.56 2krt s PHE 68 CO 0.02 -0.35 0.14 -0.51 0.70 0.00 0.00 175.22 175.22 2krt s LEU 69 N 0.69 4.22 0.09 -0.37 1.02 -0.54 -4.95 118.68 118.85 2krt s LEU 69 Ca -0.06 0.26 -0.21 0.00 0.02 0.00 0.00 54.13 54.14 2krt s LEU 69 Cb -0.15 -2.10 -0.07 0.00 0.02 0.00 0.00 46.19 43.89 2krt s LEU 69 CO 0.02 0.19 0.63 -0.31 0.02 0.00 0.00 176.35 176.90 2krt s TYR 70 N 0.27 3.83 -0.27 0.29 2.02 -1.26 -2.08 117.35 120.15 2krt s TYR 70 Ca 0.09 1.37 -0.32 0.00 -0.37 0.00 0.00 57.07 57.84 2krt s TYR 70 Cb -0.11 -2.58 -0.09 0.00 -0.40 0.00 0.00 41.96 38.78 2krt s TYR 70 CO -0.01 0.55 2.18 -2.30 -1.57 0.00 0.00 175.55 174.40 2krt n PRO 71 N 1.76 1.55 -2.08 -1.71 -0.02 -1.26 -1.66 135.00 131.59 2krt n PRO 71 Ca -0.09 0.44 -0.15 0.00 -2.02 0.00 0.00 63.50 61.68 2krt n PRO 71 Cb 0.50 -2.81 -0.02 0.00 -0.02 0.00 0.00 33.50 31.15 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 10.36 -4.57 -2.81 2.55 8.00 -1.26 -3.71 116.55 125.11 2krt n ASP 72 Ca 0.35 0.08 -0.11 0.00 0.71 0.00 0.00 54.79 55.81 2krt n ASP 72 Cb 0.33 -3.63 0.05 0.00 -0.02 0.00 0.00 41.12 37.85 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 -1.05 -0.63 3.64 0.44 0.00 -0.66 -5.06 105.19 101.87 2krt n GLY 73 Ca -0.17 0.36 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.32 -0.84 0.32 1.61 2.15 -1.24 -5.03 116.67 110.32 2krt s ASP 74 Ca 0.33 1.32 0.15 0.00 0.43 0.00 0.00 52.55 54.78 2krt s ASP 74 Cb -0.04 1.40 0.51 0.00 -0.30 0.00 0.00 42.92 44.49 2krt s ASP 74 CO 0.55 -0.21 1.67 2.19 -0.17 0.00 0.00 175.17 179.21 2krt h PHE 75 N 6.82 0.00 -0.71 -5.34 -0.00 -1.94 -3.05 116.94 112.72 2krt h PHE 75 Ca -0.28 0.00 0.02 0.00 -0.00 0.00 0.00 57.97 57.70 2krt h PHE 75 Cb 1.21 0.00 -0.04 0.00 -0.00 0.00 0.00 35.95 37.12 2krt h PHE 75 CO 0.08 0.49 0.46 0.78 -0.00 0.00 0.00 178.31 180.12 2krt h GLY 76 N 2.01 1.01 0.99 6.09 0.00 -1.96 0.10 103.07 111.31 2krt h GLY 76 Ca -0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 2krt h GLY 76 CO 0.06 0.33 0.22 1.48 0.00 0.00 0.00 176.54 178.63 2krt h SER 77 N 0.92 0.77 -0.75 0.19 4.64 -1.85 -1.27 113.55 116.19 2krt h SER 77 Ca 0.27 -0.17 0.04 0.00 -0.47 0.00 0.00 61.79 61.46 2krt h SER 77 Cb -0.05 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 61.80 2krt h SER 77 CO -0.08 0.73 0.50 0.00 -0.87 0.00 0.00 176.83 177.11 2krt h ALA 78 N 1.07 1.57 -0.13 5.18 0.00 -1.31 0.72 119.26 126.37 2krt h ALA 78 Ca 0.19 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2krt h ALA 78 Cb 0.20 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2krt h ALA 78 CO -0.01 0.35 -0.12 -0.91 0.00 0.00 0.00 179.25 178.56 2krt h ASN 79 N 0.90 0.32 -0.18 0.00 2.35 -0.37 0.38 115.58 118.99 2krt h ASN 79 Ca 0.30 -0.47 -0.22 0.00 -0.55 0.00 0.00 56.30 55.37 2krt h ASN 79 Cb 0.08 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.36 2krt h ASN 79 CO -0.09 0.73 -0.73 0.07 -1.65 0.00 0.00 177.43 175.75 2krt h LYS 80 N -0.08 0.82 -0.03 0.81 2.10 -1.05 -3.20 116.57 115.94 2krt h LYS 80 Ca 0.02 -0.63 -0.16 0.00 -2.00 0.00 0.00 60.65 57.88 2krt h LYS 80 Cb 0.63 0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.07 2krt h LYS 80 CO 0.03 1.24 -0.71 -0.91 -2.00 0.00 0.00 179.45 177.10 2krt h ASN 81 N 0.57 0.22 -1.41 7.07 4.21 -0.95 -2.43 115.58 122.85 2krt h ASN 81 Ca -0.04 -0.14 -0.25 0.00 1.21 0.00 0.00 56.30 57.08 2krt h ASN 81 Cb 1.36 -0.06 -0.04 0.00 -1.12 0.00 0.00 38.32 38.45 2krt h ASN 81 CO 0.15 0.86 -0.29 0.61 -1.29 0.00 0.00 177.43 177.47 2krt n GLY 82 N 0.51 0.31 3.20 2.83 0.00 0.12 -4.84 105.19 107.32 2krt n GLY 82 Ca -0.03 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.57 1.50 0.00 2.61 -4.23 -1.19 -2.16 115.64 109.61 2krt s THR 83 Ca 0.00 -0.93 0.05 0.00 -1.18 0.00 0.00 61.69 59.62 2krt s THR 83 Cb 0.00 -1.27 -0.01 0.00 1.34 0.00 0.00 72.50 72.55 2krt s THR 83 CO 0.00 0.32 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.50 2krt s LEU 84 N -0.71 2.07 -0.44 4.79 1.43 -1.09 -4.65 118.68 120.08 2krt s LEU 84 Ca 0.07 -0.31 -0.18 0.00 -1.03 0.00 0.00 54.13 52.67 2krt s LEU 84 Cb -0.08 -0.69 0.03 0.00 0.03 0.00 0.00 46.19 45.48 2krt s LEU 84 CO 0.00 0.13 0.51 -0.54 0.23 0.00 0.00 176.35 176.68 2krt s LYS 85 N -0.57 3.13 -0.15 1.70 3.01 -0.88 -3.18 119.74 122.80 2krt s LYS 85 Ca 0.04 -0.71 -0.29 0.00 -1.01 0.00 0.00 55.97 54.00 2krt s LYS 85 Cb -0.06 -3.99 -0.01 0.00 -1.01 0.00 0.00 37.83 32.77 2krt s LYS 85 CO 0.00 -0.94 1.05 -0.51 0.51 0.00 0.00 175.35 175.46 2krt s LEU 86 N 2.33 4.19 -0.62 3.17 2.01 -0.48 -1.47 118.68 127.81 2krt s LEU 86 Ca 0.14 1.51 -0.19 0.00 0.01 0.00 0.00 54.13 55.60 2krt s LEU 86 Cb -0.17 -3.55 0.10 0.00 0.01 0.00 0.00 46.19 42.59 2krt s LEU 86 CO 0.14 -0.56 0.76 -0.44 1.01 0.00 0.00 176.35 177.26 2krt s SER 87 N 1.23 6.22 -0.11 2.29 0.01 -1.09 -1.16 113.70 121.08 2krt s SER 87 Ca 0.48 -1.44 -0.13 0.00 1.31 0.00 0.00 55.95 56.16 2krt s SER 87 Cb -0.18 -2.32 -0.05 0.00 0.21 0.00 0.00 66.02 63.69 2krt s SER 87 CO 0.14 -1.14 0.30 -0.76 0.41 0.00 0.00 173.24 172.19 2krt s LEU 88 N 2.79 4.32 -0.52 2.44 1.02 -0.12 -0.58 118.68 128.03 2krt s LEU 88 Ca 0.14 0.62 -0.18 0.00 0.02 0.00 0.00 54.13 54.73 2krt s LEU 88 Cb -0.22 -2.39 0.07 0.00 0.02 0.00 0.00 46.19 43.67 2krt s LEU 88 CO 0.06 0.20 0.61 0.00 0.02 0.00 0.00 176.35 177.24 2krt s MET 89 N -0.14 3.08 0.05 1.70 0.23 -0.27 -1.49 119.30 122.47 2krt s MET 89 Ca 0.18 -1.08 -0.23 0.00 -1.03 0.00 0.00 55.69 53.53 2krt s MET 89 Cb -0.14 -4.15 -0.06 0.00 -1.53 0.00 0.00 34.83 28.95 2krt s MET 89 CO 0.06 -1.28 0.70 -0.51 -2.03 0.00 0.00 175.02 171.97 2krt s LEU 90 N 2.48 4.46 -0.09 0.18 2.01 0.61 -3.93 118.68 124.41 2krt s LEU 90 Ca 0.12 1.38 0.00 0.00 0.01 0.00 0.00 54.13 55.64 2krt s LEU 90 Cb -0.21 -3.12 0.02 0.00 0.01 0.00 0.00 46.19 42.88 2krt s LEU 90 CO 0.09 0.09 -0.07 -0.89 1.01 0.00 0.00 176.35 176.58 2krt s THR 91 N -0.32 0.92 0.28 5.49 2.01 -1.22 -0.77 115.64 122.03 2krt s THR 91 Ca 0.35 -0.26 -0.29 0.00 0.31 0.00 0.00 61.69 61.80 2krt s THR 91 Cb -0.20 -0.93 -0.10 0.00 0.01 0.00 0.00 72.50 71.28 2krt s THR 91 CO 0.21 0.34 1.40 -1.81 -0.69 0.00 0.00 174.62 174.07 2krt s ASP 92 N 1.43 6.67 0.11 3.53 1.11 -1.11 -2.07 116.67 126.34 2krt s ASP 92 Ca -0.01 2.69 0.13 0.00 0.18 0.00 0.00 52.55 55.54 2krt s ASP 92 Cb -0.13 -2.63 -0.13 0.00 1.07 0.00 0.00 42.92 41.10 2krt s ASP 92 CO -0.04 -0.66 1.06 0.11 1.18 0.00 0.00 175.17 176.82 2krt h LYS 93 N 4.37 0.00 0.00 8.23 1.79 -1.12 -2.30 116.57 127.55 2krt h LYS 93 Ca -0.47 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 57.72 2krt h LYS 93 Cb 1.22 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.83 2krt h LYS 93 CO 0.73 0.57 -1.49 0.36 -1.08 0.00 0.00 179.45 178.53 2krt n LYS 94 N -3.12 0.57 0.16 3.15 2.85 -1.26 -4.58 118.16 115.93 2krt n LYS 94 Ca -0.06 0.52 0.10 0.00 -1.05 0.00 0.00 58.31 57.82 2krt n LYS 94 Cb 0.89 -1.71 0.08 0.00 -0.65 0.00 0.00 35.03 33.64 2krt n LYS 94 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 177.40 176.44 2krt h ASN 95 N -0.97 0.00 -2.78 -5.58 2.35 -1.94 -3.47 115.58 103.18 2krt h ASN 95 Ca -0.41 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 54.96 2krt h ASN 95 Cb 1.38 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.70 2krt h ASN 95 CO -0.24 0.07 -0.46 0.59 -1.65 0.00 0.00 177.43 175.74 2krt n ASN 96 N -2.94 -5.37 -2.75 5.81 3.02 -0.86 -4.95 115.26 107.21 2krt n ASN 96 Ca 0.02 0.12 -0.08 0.00 -0.03 0.00 0.00 54.58 54.61 2krt n ASN 96 Cb 0.57 -4.54 0.04 0.00 -0.61 0.00 0.00 39.78 35.24 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 -2.83 0.22 -4.18 3.52 1.13 -1.26 -4.78 117.38 109.20 2krt n GLN 97 Ca -0.22 -0.81 -0.16 0.00 -1.94 0.00 0.00 57.00 53.87 2krt n GLN 97 Cb 0.66 -0.26 -0.15 0.00 0.11 0.00 0.00 30.24 30.61 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 -1.04 0.45 0.00 5.09 0.11 -1.26 -2.76 120.40 120.99 2krt s VAL 98 Ca 0.21 -0.23 0.02 0.00 -2.93 0.00 0.00 61.98 59.05 2krt s VAL 98 Cb -0.01 -0.39 -0.01 0.00 -1.53 0.00 0.00 36.38 34.44 2krt s VAL 98 CO 0.14 0.13 -0.05 -0.47 -3.33 0.00 0.00 175.10 171.53 2krt s TYR 99 N -0.06 0.45 -0.28 1.54 5.04 0.05 -4.99 117.35 119.11 2krt s TYR 99 Ca 0.01 -0.12 -0.08 0.00 -2.44 0.00 0.00 57.07 54.44 2krt s TYR 99 Cb -0.03 -0.29 -0.01 0.00 0.35 0.00 0.00 41.96 41.98 2krt s TYR 99 CO -0.00 -0.02 0.10 0.71 -1.34 0.00 0.00 175.55 175.00 2krt s TYR 100 N -0.24 3.13 -0.13 4.97 2.02 -1.26 -0.28 117.35 125.56 2krt s TYR 100 Ca 0.01 -0.57 0.01 0.00 -0.37 0.00 0.00 57.07 56.14 2krt s TYR 100 Cb -0.03 -2.28 -0.01 0.00 -0.40 0.00 0.00 41.96 39.24 2krt s TYR 100 CO -0.00 -0.43 -0.16 0.21 -1.57 0.00 0.00 175.55 173.59 2krt s LYS 101 N 1.59 3.25 -0.15 -0.62 2.47 -0.55 -4.98 119.74 120.75 2krt s LYS 101 Ca 0.05 -0.75 -0.12 0.00 -1.56 0.00 0.00 55.97 53.59 2krt s LYS 101 Cb -0.16 -2.55 -0.05 0.00 -1.46 0.00 0.00 37.83 33.61 2krt s LYS 101 CO 0.04 0.14 0.25 -0.51 0.16 0.00 0.00 175.35 175.43 2krt s LEU 102 N 0.50 4.27 -0.20 5.43 1.43 -1.25 -0.94 118.68 127.92 2krt s LEU 102 Ca -0.11 0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 53.44 2krt s LEU 102 Cb -0.16 -2.29 -0.00 0.00 0.03 0.00 0.00 46.19 43.77 2krt s LEU 102 CO 0.05 0.18 -0.09 -0.76 0.23 0.00 0.00 176.35 175.96 2krt s LEU 103 N 0.12 2.70 -0.50 1.79 1.43 -0.31 -4.89 118.68 119.02 2krt s LEU 103 Ca 0.15 -0.45 -0.19 0.00 -1.03 0.00 0.00 54.13 52.61 2krt s LEU 103 Cb -0.13 -1.67 0.05 0.00 0.03 0.00 0.00 46.19 44.48 2krt s LEU 103 CO 0.03 -0.00 0.63 -1.61 0.23 0.00 0.00 176.35 175.63 2krt s GLU 104 N 1.34 3.14 0.15 1.70 2.02 -1.26 -1.39 118.70 124.41 2krt s GLU 104 Ca 0.04 -0.82 0.10 0.00 0.02 0.00 0.00 54.97 54.31 2krt s GLU 104 Cb -0.14 -4.08 -0.04 0.00 0.10 0.00 0.00 34.13 29.97 2krt s GLU 104 CO -0.05 -1.20 -0.22 0.14 0.02 0.00 0.00 175.26 173.95 2krt s VAL 105 N 2.68 2.04 0.41 2.63 -7.23 -1.19 -5.02 120.40 114.72 2krt s VAL 105 Ca 0.16 -1.85 0.07 0.00 -1.81 0.00 0.00 61.98 58.56 2krt s VAL 105 Cb -0.18 -1.90 -0.08 0.00 0.56 0.00 0.00 36.38 34.78 2krt s VAL 105 CO 0.13 -0.12 0.03 -0.44 -0.31 0.00 0.00 175.10 174.38 2krt s SER 106 N -2.40 3.94 0.00 4.85 0.01 -1.26 -2.66 113.70 116.18 2krt s SER 106 Ca 0.15 -1.34 0.00 0.00 1.31 0.00 0.00 55.95 56.07 2krt s SER 106 Cb -0.08 -0.40 0.00 0.00 0.21 0.00 0.00 66.02 65.75 2krt s SER 106 CO 0.07 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 173.87 2krt n GLY 107 N -1.00 1.08 0.14 3.44 0.00 -0.92 -4.99 105.19 102.93 2krt n GLY 107 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.21 -2.46 1.61 0.04 -1.72 -3.44 116.94 110.77 2krt h PHE 108 Ca 0.00 -0.00 -0.38 0.00 2.80 0.00 0.00 57.97 60.39 2krt h PHE 108 Cb 0.00 0.07 -0.36 0.00 2.20 0.00 0.00 35.95 37.86 2krt h PHE 108 CO 0.00 0.13 -0.67 0.21 -0.60 0.00 0.00 178.31 177.38 2krt s LYS 109 N -2.88 0.24 -1.30 1.51 2.47 -1.26 -4.81 119.74 113.71 2krt s LYS 109 Ca -0.09 -0.12 -0.11 0.00 -1.56 0.00 0.00 55.97 54.08 2krt s LYS 109 Cb 0.00 -1.00 0.14 0.00 -1.46 0.00 0.00 37.83 35.51 2krt s LYS 109 CO 0.34 -0.89 1.86 -1.13 0.16 0.00 0.00 175.35 175.69 2krt n SER 110 N 5.30 4.90 -3.25 1.43 3.41 -1.26 -2.71 113.62 121.44 2krt n SER 110 Ca -0.04 -3.04 -0.25 0.00 -0.26 0.00 0.00 58.87 55.28 2krt n SER 110 Cb 0.46 -1.53 -0.08 0.00 -0.26 0.00 0.00 64.21 62.80 2krt n SER 110 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2krt n ASN 111 N 4.71 -0.07 0.06 4.04 4.13 -1.25 -5.01 115.26 121.87 2krt n ASN 111 Ca 0.42 -2.60 -0.03 0.00 1.68 0.00 0.00 54.58 54.05 2krt n ASN 111 Cb 0.38 -0.59 -0.01 0.00 -1.54 0.00 0.00 39.78 38.02 2krt n ASN 111 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 2krt h PRO 112 N 4.51 -0.17 -0.01 3.52 0.11 -1.72 -2.26 132.00 135.97 2krt h PRO 112 Ca 0.13 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2krt h PRO 112 Cb 0.89 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2krt h PRO 112 CO 0.43 -0.11 -0.27 2.48 -0.21 0.00 0.00 178.00 180.31 2krt n TYR 113 N -2.61 0.00 0.04 0.65 0.18 -1.26 -4.15 117.16 110.00 2krt n TYR 113 Ca -0.02 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.70 2krt n TYR 113 Cb 0.07 -0.08 -0.11 0.00 -0.38 0.00 0.00 39.34 38.85 2krt n TYR 113 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 2krt h LEU 114 N 1.70 0.00 -0.76 -3.48 3.38 -1.95 -2.88 115.31 111.33 2krt h LEU 114 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 2krt h LEU 114 Cb 0.58 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.25 2krt h LEU 114 CO 0.00 0.91 0.40 -0.08 0.09 0.00 0.00 178.44 179.76 2krt h GLU 115 N 0.00 0.66 -1.53 1.13 4.22 -1.56 -3.17 114.58 114.33 2krt h GLU 115 Ca -0.12 -0.04 -0.55 0.00 0.08 0.00 0.00 59.36 58.73 2krt h GLU 115 Cb 1.80 -0.15 -0.42 0.00 0.50 0.00 0.00 28.75 30.48 2krt h GLU 115 CO 0.10 0.44 -0.82 -2.39 -2.18 0.00 0.00 179.01 174.16 2krt n HIS 116 N -4.81 3.01 0.16 0.92 1.44 -1.24 -4.83 115.22 109.85 2krt n HIS 116 Ca 0.12 -3.18 0.00 0.00 -2.01 0.00 0.00 57.72 52.65 2krt n HIS 116 Cb 0.28 -0.19 0.25 0.00 0.12 0.00 0.00 29.99 30.45 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 2.71 0.00 -2.17 -1.40 2.76 -1.48 -3.47 115.15 112.11 2krt h HIS 117 Ca 0.21 -0.00 0.21 0.00 -2.20 0.00 0.00 60.37 58.59 2krt h HIS 117 Cb 0.92 -0.00 -0.08 0.00 1.55 0.00 0.00 27.41 29.80 2krt h HIS 117 CO 0.76 0.52 0.59 -3.38 -1.30 0.00 0.00 177.93 175.11 2krt s HIS 118 N -3.86 -0.07 -0.44 5.26 -3.43 -1.26 -5.09 115.29 106.40 2krt s HIS 118 Ca -0.02 -0.20 -0.16 0.00 -0.80 0.00 0.00 55.06 53.87 2krt s HIS 118 Cb 0.13 0.63 0.04 0.00 -1.43 0.00 0.00 32.58 31.95 2krt s HIS 118 CO 0.75 -0.71 0.40 -1.01 -2.00 0.00 0.00 174.74 172.17 2krt s HIS 119 N -2.88 3.20 -0.16 0.38 0.09 -1.26 -5.03 115.29 109.63 2krt s HIS 119 Ca 0.15 -0.60 -0.29 0.00 -0.00 0.00 0.00 55.06 54.32 2krt s HIS 119 Cb -0.00 -2.93 0.10 0.00 -0.00 0.00 0.00 32.58 29.75 2krt s HIS 119 CO 0.01 -0.72 0.88 -1.58 -0.00 0.00 0.00 174.74 173.33 2krt s HIS 120 N 1.92 -0.52 -2.85 1.40 5.65 -1.26 -5.29 115.29 114.33 2krt s HIS 120 Ca 0.08 1.02 0.25 0.00 0.25 0.00 0.00 55.06 56.66 2krt s HIS 120 Cb -0.20 0.40 0.45 0.00 -1.18 0.00 0.00 32.58 32.05 2krt s HIS 120 CO 0.11 -0.41 1.40 0.72 -0.65 0.00 0.00 174.74 175.91