#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2krt h LEU 2 N 0.00 0.15 -9.16 4.03 -0.00 -2.03 -3.45 115.31 104.84 2krt h LEU 2 Ca 0.00 -0.76 -0.58 0.00 -0.00 0.00 0.00 57.88 56.54 2krt h LEU 2 Cb 0.00 -0.05 -0.08 0.00 -0.00 0.00 0.00 40.66 40.54 2krt h LEU 2 CO 0.00 1.42 0.29 -0.55 -0.00 0.00 0.00 178.44 179.60 2krt s SER 3 N -6.77 6.87 -1.51 -0.43 0.15 -1.26 -4.97 113.70 105.79 2krt s SER 3 Ca -0.23 1.07 -0.09 0.00 0.70 0.00 0.00 55.95 57.40 2krt s SER 3 Cb 0.03 -2.42 -0.00 0.00 -1.71 0.00 0.00 66.02 61.92 2krt s SER 3 CO 0.68 -0.34 2.67 0.00 1.20 0.00 0.00 173.24 177.45 2krt n GLN 4 N 5.09 3.89 -3.92 5.44 10.64 -1.26 -4.86 117.38 132.39 2krt n GLN 4 Ca 0.02 -2.68 -0.34 0.00 -1.83 0.00 0.00 57.00 52.18 2krt n GLN 4 Cb 0.49 -2.80 -0.05 0.00 -0.86 0.00 0.00 30.24 27.02 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 1.20 3.92 0.27 2.61 0.00 -1.26 -5.01 121.76 123.49 2krt s ALA 5 Ca 0.62 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.82 2krt s ALA 5 Cb 0.17 -1.87 0.55 0.00 0.00 0.00 0.00 23.12 21.97 2krt s ALA 5 CO -0.07 0.73 1.79 -0.91 0.00 0.00 0.00 175.76 177.30 2krt h ASN 6 N 3.97 0.71 -0.44 0.00 2.35 -2.00 0.15 115.58 120.32 2krt h ASN 6 Ca -0.50 0.07 0.10 0.00 -0.55 0.00 0.00 56.30 55.43 2krt h ASN 6 Cb 1.19 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.48 2krt h ASN 6 CO 0.67 0.33 0.31 1.05 -1.65 0.00 0.00 177.43 178.14 2krt h GLU 7 N 0.78 0.12 0.01 0.81 4.11 -1.97 -0.55 114.58 117.88 2krt h GLU 7 Ca 0.48 -0.01 -0.05 0.00 0.07 0.00 0.00 59.36 59.86 2krt h GLU 7 Cb 0.60 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2krt h GLU 7 CO -0.32 0.08 -0.19 0.22 0.07 0.00 0.00 179.01 178.87 2krt h ASP 8 N 0.12 0.16 -0.18 3.06 3.58 -1.30 -2.99 116.42 118.87 2krt h ASP 8 Ca 0.21 -0.81 -0.01 0.00 0.42 0.00 0.00 57.03 56.83 2krt h ASP 8 Cb 0.65 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 2krt h ASP 8 CO -0.02 0.95 0.08 -0.26 -2.88 0.00 0.00 179.24 177.11 2krt h PHE 9 N -0.62 0.27 -0.97 0.28 0.04 -1.13 -0.66 116.94 114.14 2krt h PHE 9 Ca -0.03 -0.02 0.09 0.00 2.80 0.00 0.00 57.97 60.82 2krt h PHE 9 Cb 0.99 -0.08 -0.07 0.00 2.20 0.00 0.00 35.95 38.98 2krt h PHE 9 CO 0.20 0.32 0.62 1.57 -0.60 0.00 0.00 178.31 180.42 2krt h LYS 10 N 0.15 1.02 0.01 1.51 2.10 -1.26 -1.04 116.57 119.06 2krt h LYS 10 Ca 0.06 -0.06 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2krt h LYS 10 Cb 0.16 -0.23 0.00 0.00 -0.90 0.00 0.00 32.23 31.26 2krt h LYS 10 CO -0.01 0.67 -0.00 -0.22 -2.00 0.00 0.00 179.45 177.89 2krt h LYS 11 N 1.05 -0.01 -0.59 0.07 3.11 -1.30 -0.73 116.57 118.16 2krt h LYS 11 Ca 0.45 0.00 0.09 0.00 -2.81 0.00 0.00 60.65 58.38 2krt h LYS 11 Cb 0.32 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 31.48 2krt h LYS 11 CO -0.20 0.02 0.22 0.82 -2.81 0.00 0.00 179.45 177.49 2krt h ILE 12 N -0.04 0.77 -0.10 2.00 2.04 -0.20 0.37 117.51 122.35 2krt h ILE 12 Ca -0.00 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 2krt h ILE 12 Cb 0.03 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 2krt h ILE 12 CO 0.00 0.07 -0.00 0.58 0.00 0.00 0.00 178.15 178.80 2krt h VAL 13 N 0.40 1.25 0.00 1.67 2.07 -1.05 -2.97 116.25 117.62 2krt h VAL 13 Ca 0.30 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2krt h VAL 13 Cb 0.36 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2krt h VAL 13 CO -0.30 0.23 0.00 0.59 0.02 0.00 0.00 177.57 178.11 2krt n ASN 14 N -4.82 0.31 -1.58 0.57 3.02 -0.29 -2.56 115.26 109.91 2krt n ASN 14 Ca -0.06 0.54 0.06 0.00 -0.03 0.00 0.00 54.58 55.09 2krt n ASN 14 Cb 0.20 -0.62 0.32 0.00 -0.61 0.00 0.00 39.78 39.07 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 -1.81 4.66 -4.75 6.41 5.03 0.13 -4.94 115.26 120.00 2krt n ASN 15 Ca 0.05 -2.69 -0.41 0.00 0.87 0.00 0.00 54.58 52.41 2krt n ASN 15 Cb 0.31 -0.63 -0.04 0.00 -1.02 0.00 0.00 39.78 38.40 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 -2.32 3.78 -0.08 2.41 1.01 -1.06 -4.87 121.20 120.07 2krt s ILE 16 Ca 0.43 1.65 -0.20 0.00 0.00 0.00 0.00 60.65 62.53 2krt s ILE 16 Cb 0.32 -4.05 0.05 0.00 0.01 0.00 0.00 42.46 38.78 2krt s ILE 16 CO 0.14 0.34 0.48 -0.60 0.00 0.00 0.00 174.94 175.29 2krt s ARG 17 N -0.84 0.75 0.00 2.79 6.06 -1.26 -4.97 118.95 121.48 2krt s ARG 17 Ca 0.46 0.23 0.00 0.00 -2.50 0.00 0.00 55.73 53.93 2krt s ARG 17 Cb -0.30 0.35 0.00 0.00 0.06 0.00 0.00 34.95 35.07 2krt s ARG 17 CO 0.36 -0.19 0.78 1.47 -2.50 0.00 0.00 175.30 175.23 2krt n LEU 18 N 1.68 2.30 0.03 -0.88 -0.00 -1.26 -1.95 117.00 116.92 2krt n LEU 18 Ca -0.18 -1.13 0.00 0.00 -0.00 0.00 0.00 56.01 54.70 2krt n LEU 18 Cb 0.56 -0.40 0.00 0.00 -0.00 0.00 0.00 43.42 43.58 2krt n LEU 18 CO 0.18 0.39 0.00 1.17 -0.00 0.00 0.00 177.39 179.14 2krt n LYS 19 N 0.77 0.00 0.03 1.47 3.00 -1.12 -4.58 118.16 117.73 2krt n LYS 19 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 2krt n LYS 19 Cb 0.35 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 35.25 2krt n LYS 19 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 2krt h ASP 20 N 0.00 0.10 0.00 3.14 2.03 -1.96 -3.40 116.42 116.33 2krt h ASP 20 Ca 0.00 -0.14 -0.26 0.00 -0.73 0.00 0.00 57.03 55.90 2krt h ASP 20 Cb 0.00 -0.03 -0.04 0.00 -0.83 0.00 0.00 39.33 38.43 2krt h ASP 20 CO 0.00 1.12 -1.44 0.41 -1.03 0.00 0.00 179.24 178.30 2krt n THR 21 N -3.26 1.53 -3.81 1.15 -1.04 -0.82 -4.68 114.28 103.35 2krt n THR 21 Ca -0.11 -0.07 -0.09 0.00 -2.04 0.00 0.00 64.05 61.74 2krt n THR 21 Cb 1.01 -2.03 -0.03 0.00 -1.82 0.00 0.00 70.33 67.46 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 -2.38 -0.10 -0.21 -1.42 -0.71 -1.15 -1.55 117.98 110.46 2krt s PHE 22 Ca -0.30 -0.29 -0.00 0.00 -1.04 0.00 0.00 56.93 55.30 2krt s PHE 22 Cb 0.07 0.51 0.05 0.00 -1.21 0.00 0.00 43.02 42.45 2krt s PHE 22 CO 0.57 -1.07 -0.04 0.34 -1.34 0.00 0.00 175.22 173.68 2krt s ASP 23 N -2.91 3.36 0.05 1.98 -1.08 -0.47 -2.80 116.67 114.80 2krt s ASP 23 Ca 0.12 -0.95 -0.19 0.00 -0.52 0.00 0.00 52.55 51.00 2krt s ASP 23 Cb -0.03 -0.99 -0.06 0.00 -1.46 0.00 0.00 42.92 40.38 2krt s ASP 23 CO 0.03 -0.23 0.56 0.72 0.52 0.00 0.00 175.17 176.76 2krt s PHE 24 N 1.56 3.78 -0.07 -5.34 -0.71 -1.26 -0.65 117.98 115.28 2krt s PHE 24 Ca -0.03 1.23 0.00 0.00 -1.04 0.00 0.00 56.93 57.09 2krt s PHE 24 Cb -0.17 -2.49 -0.03 0.00 -1.21 0.00 0.00 43.02 39.11 2krt s PHE 24 CO -0.07 0.55 -0.04 0.21 -1.34 0.00 0.00 175.22 174.53 2krt s LYS 25 N -0.94 2.82 -0.14 1.99 2.20 0.48 -4.78 119.74 121.36 2krt s LYS 25 Ca 0.29 -0.51 -0.18 0.00 -0.36 0.00 0.00 55.97 55.20 2krt s LYS 25 Cb -0.19 -2.66 -0.04 0.00 -1.51 0.00 0.00 37.83 33.43 2krt s LYS 25 CO 0.18 0.67 0.50 -0.51 -0.36 0.00 0.00 175.35 175.83 2krt s LEU 26 N -0.89 4.23 0.43 5.43 2.01 -1.25 -1.91 118.68 126.73 2krt s LEU 26 Ca 0.13 0.78 0.13 0.00 0.01 0.00 0.00 54.13 55.17 2krt s LEU 26 Cb -0.11 -2.71 0.94 0.00 0.01 0.00 0.00 46.19 44.32 2krt s LEU 26 CO 0.02 -0.06 1.98 0.00 1.01 0.00 0.00 176.35 179.30 2krt h ALA 27 N 6.97 1.66 0.00 4.21 0.00 -1.44 -1.46 119.26 129.21 2krt h ALA 27 Ca -0.39 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2krt h ALA 27 Cb 1.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2krt h ALA 27 CO 0.75 0.25 -0.42 0.00 0.00 0.00 0.00 179.25 179.83 2krt h ALA 28 N 1.77 0.76 -2.12 0.00 0.00 -1.89 -3.39 119.26 114.39 2krt h ALA 28 Ca 0.02 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.36 2krt h ALA 28 Cb 0.29 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.69 2krt h ALA 28 CO 0.02 0.00 -0.97 1.19 0.00 0.00 0.00 179.25 179.49 2krt n PHE 29 N -2.53 0.49 0.31 0.00 3.72 -0.61 -4.98 117.46 113.87 2krt n PHE 29 Ca 0.03 -3.68 0.12 0.00 -0.05 0.00 0.00 57.45 53.88 2krt n PHE 29 Cb 0.49 -0.33 0.55 0.00 -0.94 0.00 0.00 39.48 39.25 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 4.27 0.00 -0.04 -1.08 0.13 -1.61 -2.35 132.00 131.32 2krt h PRO 30 Ca 0.12 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.24 2krt h PRO 30 Cb 0.84 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 2krt h PRO 30 CO 0.53 0.00 -0.11 0.09 -0.23 0.00 0.00 178.00 178.28 2krt n ASN 31 N -2.31 2.36 -4.34 1.44 5.03 -1.26 -4.88 115.26 111.30 2krt n ASN 31 Ca 0.01 -3.29 -0.26 0.00 0.87 0.00 0.00 54.58 51.91 2krt n ASN 31 Cb 0.16 -0.47 -0.13 0.00 -1.02 0.00 0.00 39.78 38.33 2krt n ASN 31 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2krt s GLN 32 N -2.97 1.26 0.33 3.52 -1.52 -0.88 -5.12 119.66 114.28 2krt s GLN 32 Ca 0.35 -1.27 0.03 0.00 -1.95 0.00 0.00 55.36 52.53 2krt s GLN 32 Cb 0.31 -1.63 -0.06 0.00 -0.22 0.00 0.00 33.01 31.41 2krt s GLN 32 CO 0.01 0.38 0.07 -0.80 -0.25 0.00 0.00 175.29 174.70 2krt s ASN 33 N -2.03 2.31 0.33 5.90 0.02 -1.26 -4.52 114.94 115.70 2krt s ASN 33 Ca 0.11 -1.42 0.10 0.00 -1.02 0.00 0.00 52.86 50.63 2krt s ASN 33 Cb -0.10 0.02 0.88 0.00 0.02 0.00 0.00 41.25 42.08 2krt s ASN 33 CO 0.05 -0.66 1.76 0.10 0.02 0.00 0.00 177.10 178.37 2krt h TYR 34 N 2.10 0.95 -0.00 2.20 -0.00 -1.90 0.24 116.97 120.55 2krt h TYR 34 Ca -0.40 0.03 0.00 0.00 0.00 0.00 0.00 58.73 58.36 2krt h TYR 34 Cb 1.25 -0.28 0.00 0.00 0.00 0.00 0.00 36.73 37.70 2krt h TYR 34 CO 0.69 0.13 -0.02 -3.47 -0.00 0.00 0.00 178.16 175.49 2krt n ASP 35 N -4.78 0.14 0.00 0.10 2.03 -1.26 -3.19 116.55 109.58 2krt n ASP 35 Ca 0.25 -0.61 0.00 0.00 0.52 0.00 0.00 54.79 54.96 2krt n ASP 35 Cb 0.71 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 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 -1.06 0.49 -3.19 -0.67 6.02 -0.10 -4.76 117.38 114.11 2krt n GLN 36 Ca 0.18 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.78 2krt n GLN 36 Cb 0.20 -0.96 -0.06 0.00 1.02 0.00 0.00 30.24 30.44 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 -4.69 4.51 0.33 1.08 1.98 -0.20 -4.96 118.68 116.73 2krt s LEU 37 Ca 0.00 1.31 -0.29 0.00 -2.89 0.00 0.00 54.13 52.26 2krt s LEU 37 Cb 0.00 -2.98 -0.11 0.00 0.66 0.00 0.00 46.19 43.75 2krt s LEU 37 CO 0.00 0.21 1.57 -0.76 -1.89 0.00 0.00 176.35 175.48 2krt s LEU 38 N -0.84 4.33 0.17 -0.68 2.01 -1.26 -4.73 118.68 117.68 2krt s LEU 38 Ca 0.31 3.01 -0.14 0.00 0.01 0.00 0.00 54.13 57.32 2krt s LEU 38 Cb -0.20 -3.65 0.08 0.00 0.01 0.00 0.00 46.19 42.44 2krt s LEU 38 CO 0.20 -0.92 1.80 1.55 1.01 0.00 0.00 176.35 179.99 2krt h PRO 39 N 4.13 0.52 -0.15 1.29 0.13 -1.95 -2.19 132.00 133.77 2krt h PRO 39 Ca -0.49 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2krt h PRO 39 Cb 1.23 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2krt h PRO 39 CO 0.74 0.34 0.09 0.77 -0.23 0.00 0.00 178.00 179.71 2krt h SER 40 N 0.54 0.18 -0.03 1.44 0.02 -2.00 -1.52 113.55 112.17 2krt h SER 40 Ca 0.19 -0.01 -0.22 0.00 -0.84 0.00 0.00 61.79 60.91 2krt h SER 40 Cb 0.04 -0.04 0.02 0.00 0.14 0.00 0.00 62.40 62.55 2krt h SER 40 CO -0.10 0.14 -0.86 1.56 -1.14 0.00 0.00 176.83 176.44 2krt h GLN 41 N 0.21 0.63 -0.60 3.45 1.08 -1.80 -3.16 115.11 114.92 2krt h GLN 41 Ca 0.06 -0.64 0.02 0.00 -1.45 0.00 0.00 58.65 56.64 2krt h GLN 41 Cb 0.00 0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.57 2krt h GLN 41 CO -0.01 1.24 0.39 0.82 -0.95 0.00 0.00 178.83 180.33 2krt h ILE 42 N 0.27 1.10 -0.58 2.54 2.04 -0.93 -0.60 117.51 121.36 2krt h ILE 42 Ca -0.10 -0.25 0.10 0.00 1.00 0.00 0.00 64.86 65.61 2krt h ILE 42 Cb 1.52 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 2krt h ILE 42 CO 0.17 0.13 0.39 0.22 0.00 0.00 0.00 178.15 179.06 2krt h TYR 43 N 0.73 0.39 0.00 1.37 3.20 -1.27 -1.25 116.97 120.15 2krt h TYR 43 Ca 0.23 0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.95 2krt h TYR 43 Cb 0.03 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 2krt h TYR 43 CO -0.00 0.19 -0.76 0.87 -1.64 0.00 0.00 178.16 176.82 2krt h LYS 44 N 0.37 0.00 0.00 1.82 1.79 -1.12 -3.30 116.57 116.13 2krt h LYS 44 Ca 0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 2krt h LYS 44 Cb 0.56 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 2krt h LYS 44 CO -0.07 0.76 0.00 -0.97 -1.08 0.00 0.00 179.45 178.09 2krt h ASN 45 N 0.00 0.00 -0.72 0.86 -1.24 -0.66 -1.80 115.58 112.02 2krt h ASN 45 Ca -0.01 0.00 0.15 0.00 0.71 0.00 0.00 56.30 57.15 2krt h ASN 45 Cb 1.57 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 40.58 2krt h ASN 45 CO 0.10 0.00 0.49 0.22 -1.29 0.00 0.00 177.43 176.95 2krt h TYR 46 N 0.00 0.40 -0.01 0.67 3.20 -1.64 0.11 116.97 119.71 2krt h TYR 46 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2krt h TYR 46 Cb 0.12 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.27 2krt h TYR 46 CO 0.00 0.15 -0.02 0.66 -1.64 0.00 0.00 178.16 177.32 2krt n TYR 47 N -4.46 0.00 -0.06 -3.82 4.01 -0.68 -4.21 117.16 107.94 2krt n TYR 47 Ca 0.14 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.75 2krt n TYR 47 Cb 0.55 -0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 39.51 2krt n TYR 47 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2krt n GLN 48 N -0.47 0.30 0.00 -0.72 1.13 0.26 -5.14 117.38 112.73 2krt n GLN 48 Ca 0.20 0.13 0.00 0.00 -1.94 0.00 0.00 57.00 55.39 2krt n GLN 48 Cb 0.24 -1.01 0.00 0.00 0.11 0.00 0.00 30.24 29.59 2krt n GLN 48 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2krt n GLY 49 N 2.19 4.35 2.84 1.08 0.00 -0.37 -4.86 105.19 110.41 2krt n GLY 49 Ca -0.23 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 44.76 2krt n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2krt s ILE 50 N -1.59 0.53 0.02 -0.61 1.01 -1.26 -1.15 121.20 118.15 2krt s ILE 50 Ca 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 60.65 60.65 2krt s ILE 50 Cb 0.00 -0.61 -0.04 0.00 0.01 0.00 0.00 42.46 41.82 2krt s ILE 50 CO 0.00 0.26 -0.04 -1.61 0.00 0.00 0.00 174.94 173.55 2krt s GLU 51 N 1.49 2.60 -0.29 2.79 0.41 -0.80 -4.96 118.70 119.95 2krt s GLU 51 Ca -0.02 -0.72 -0.04 0.00 -0.41 0.00 0.00 54.97 53.79 2krt s GLU 51 Cb -0.13 -2.55 0.03 0.00 -1.78 0.00 0.00 34.13 29.70 2krt s GLU 51 CO -0.03 0.59 0.01 0.42 -0.49 0.00 0.00 175.26 175.76 2krt s ILE 52 N -1.09 3.28 -0.96 -1.63 -1.09 -1.26 -0.39 121.20 118.07 2krt s ILE 52 Ca 0.19 -1.07 -0.24 0.00 -2.23 0.00 0.00 60.65 57.31 2krt s ILE 52 Cb -0.11 -2.76 0.04 0.00 -1.58 0.00 0.00 42.46 38.05 2krt s ILE 52 CO 0.10 0.03 1.43 -1.58 -1.23 0.00 0.00 174.94 173.70 2krt s GLN 53 N 1.35 3.47 0.11 2.79 2.00 0.17 -4.91 119.66 124.65 2krt s GLN 53 Ca -0.01 -0.90 -0.26 0.00 -2.00 0.00 0.00 55.36 52.19 2krt s GLN 53 Cb -0.18 -5.10 -0.07 0.00 0.80 0.00 0.00 33.01 28.46 2krt s GLN 53 CO -0.01 -2.24 0.80 1.14 -0.50 0.00 0.00 175.29 174.48 2krt s GLN 54 N 5.21 4.56 -0.02 1.67 -2.07 -1.26 -1.37 119.66 126.38 2krt s GLN 54 Ca 0.45 1.16 0.00 0.00 -1.82 0.00 0.00 55.36 55.15 2krt s GLN 54 Cb -0.02 -3.32 -0.01 0.00 -1.09 0.00 0.00 33.01 28.57 2krt s GLN 54 CO -0.04 0.41 -0.01 0.72 -1.32 0.00 0.00 175.29 175.04 2krt n HIS 55 N 2.24 0.00 -0.98 9.60 8.25 -0.59 -5.00 115.22 128.74 2krt n HIS 55 Ca -0.03 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.41 2krt n HIS 55 Cb 0.49 -0.06 0.01 0.00 1.12 0.00 0.00 29.99 31.55 2krt n HIS 55 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2krt n LYS 56 N -2.51 -0.19 -1.49 -0.41 5.02 -1.18 -4.85 118.16 112.55 2krt n LYS 56 Ca -0.03 -0.09 -0.14 0.00 -2.02 0.00 0.00 58.31 56.03 2krt n LYS 56 Cb 0.53 -0.06 -0.11 0.00 -0.02 0.00 0.00 35.03 35.37 2krt n LYS 56 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2krt n TYR 57 N -2.15 0.72 -3.41 2.13 4.02 -1.26 -4.84 117.16 112.37 2krt n TYR 57 Ca 0.01 -0.04 -0.43 0.00 -0.01 0.00 0.00 57.90 57.42 2krt n TYR 57 Cb 0.03 -1.92 -0.02 0.00 -0.02 0.00 0.00 39.34 37.41 2krt n TYR 57 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 2krt s GLN 58 N 8.00 3.98 0.00 -0.72 -1.52 -1.26 -4.17 119.66 123.96 2krt s GLN 58 Ca 0.89 -3.23 0.00 0.00 -1.95 0.00 0.00 55.36 51.07 2krt s GLN 58 Cb -0.26 -4.41 0.00 0.00 -0.22 0.00 0.00 33.01 28.12 2krt s GLN 58 CO 0.20 -1.25 0.00 -1.71 -0.25 0.00 0.00 175.29 172.29 2krt n ASN 59 N 2.62 0.00 0.04 5.90 2.85 -1.26 -4.95 115.26 120.46 2krt n ASN 59 Ca 0.23 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.60 2krt n ASN 59 Cb 0.39 0.07 -0.13 0.00 1.24 0.00 0.00 39.78 41.35 2krt n ASN 59 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 2krt h GLU 60 N 0.00 0.07 -4.49 1.20 4.57 -1.96 -3.46 114.58 110.52 2krt h GLU 60 Ca 0.00 -0.12 -0.33 0.00 -1.18 0.00 0.00 59.36 57.73 2krt h GLU 60 Cb 0.00 0.05 -0.27 0.00 -0.16 0.00 0.00 28.75 28.37 2krt h GLU 60 CO 0.00 0.89 -0.76 -0.48 -1.18 0.00 0.00 179.01 177.48 2krt s LEU 61 N -6.61 2.07 -0.26 1.64 2.34 -1.26 -2.42 118.68 114.17 2krt s LEU 61 Ca -0.03 -0.21 -0.14 0.00 0.06 0.00 0.00 54.13 53.81 2krt s LEU 61 Cb 0.09 -0.30 -0.04 0.00 -0.56 0.00 0.00 46.19 45.37 2krt s LEU 61 CO 0.83 0.02 0.31 -0.62 -1.06 0.00 0.00 176.35 175.83 2krt s ASP 62 N -0.48 6.20 -0.43 1.48 2.15 -0.98 -4.58 116.67 120.03 2krt s ASP 62 Ca -0.00 0.22 -0.09 0.00 0.43 0.00 0.00 52.55 53.10 2krt s ASP 62 Cb -0.04 -2.18 0.08 0.00 -0.30 0.00 0.00 42.92 40.48 2krt s ASP 62 CO -0.00 -0.11 0.27 -0.63 -0.17 0.00 0.00 175.17 174.53 2krt s ILE 63 N 1.80 4.24 0.03 4.11 1.01 -1.26 -2.46 121.20 128.67 2krt s ILE 63 Ca 0.13 -1.45 0.04 0.00 0.00 0.00 0.00 60.65 59.37 2krt s ILE 63 Cb -0.15 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 2krt s ILE 63 CO 0.09 -0.54 -0.12 -0.54 0.00 0.00 0.00 174.94 173.83 2krt s LYS 64 N 1.42 0.84 -0.23 2.79 -0.14 -1.24 -4.97 119.74 118.21 2krt s LYS 64 Ca 0.03 -0.65 -0.15 0.00 -1.36 0.00 0.00 55.97 53.84 2krt s LYS 64 Cb -0.23 -0.81 -0.04 0.00 -1.68 0.00 0.00 37.83 35.07 2krt s LYS 64 CO 0.02 0.20 0.37 0.42 -0.76 0.00 0.00 175.35 175.60 2krt s ILE 65 N -0.76 5.20 0.00 2.17 1.01 -1.26 -0.73 121.20 126.83 2krt s ILE 65 Ca 0.01 0.62 0.00 0.00 0.00 0.00 0.00 60.65 61.28 2krt s ILE 65 Cb -0.07 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.70 2krt s ILE 65 CO 0.01 0.23 0.22 -0.38 0.00 0.00 0.00 174.94 175.02 2krt n ILE 66 N 4.59 0.00 -3.91 2.92 5.41 0.91 -4.96 119.36 124.32 2krt n ILE 66 Ca -0.09 0.66 -0.09 0.00 1.00 0.00 0.00 62.75 64.23 2krt n ILE 66 Cb 0.51 -1.54 -0.04 0.00 -0.71 0.00 0.00 39.64 37.86 2krt n ILE 66 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 2krt s ASN 67 N -2.52 -0.15 0.01 4.38 3.84 -1.24 -4.99 114.94 114.27 2krt s ASN 67 Ca 0.00 -0.76 0.04 0.00 0.21 0.00 0.00 52.86 52.34 2krt s ASN 67 Cb 0.00 0.60 -0.03 0.00 -0.55 0.00 0.00 41.25 41.27 2krt s ASN 67 CO 0.00 -1.14 -0.08 -0.36 -2.79 0.00 0.00 177.10 172.72 2krt s PHE 68 N -3.96 2.85 0.08 0.43 0.08 -1.26 -1.66 117.98 114.53 2krt s PHE 68 Ca 0.17 -0.07 -0.04 0.00 0.12 0.00 0.00 56.93 57.12 2krt s PHE 68 Cb -0.01 -1.59 -0.03 0.00 -0.57 0.00 0.00 43.02 40.82 2krt s PHE 68 CO 0.05 0.36 0.06 -0.48 -0.10 0.00 0.00 175.22 175.11 2krt s LEU 69 N -1.42 1.99 0.75 -0.37 2.34 -1.11 -4.94 118.68 115.92 2krt s LEU 69 Ca 0.17 -0.93 -0.11 0.00 0.06 0.00 0.00 54.13 53.32 2krt s LEU 69 Cb -0.11 0.51 0.04 0.00 -0.56 0.00 0.00 46.19 46.07 2krt s LEU 69 CO 0.07 -0.67 1.09 -0.31 -1.06 0.00 0.00 176.35 175.47 2krt s TYR 70 N -3.93 2.62 -0.72 3.48 2.02 -1.26 -0.71 117.35 118.85 2krt s TYR 70 Ca 0.10 1.55 -0.26 0.00 -0.37 0.00 0.00 57.07 58.08 2krt s TYR 70 Cb 0.07 -3.05 -0.23 0.00 -0.40 0.00 0.00 41.96 38.34 2krt s TYR 70 CO -0.08 -1.74 1.88 -0.35 -1.57 0.00 0.00 175.55 173.69 2krt n PRO 71 N -3.31 0.72 -1.71 -1.71 -0.04 -1.26 -4.18 135.00 123.50 2krt n PRO 71 Ca 0.09 -1.70 -0.18 0.00 -0.04 0.00 0.00 63.50 61.67 2krt n PRO 71 Cb 0.53 -3.24 -0.07 0.00 -0.04 0.00 0.00 33.50 30.68 2krt n PRO 71 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2krt n ASP 72 N 12.70 -4.96 0.00 3.54 9.92 -1.26 -4.78 116.55 131.71 2krt n ASP 72 Ca 0.46 0.37 0.00 0.00 -0.53 0.00 0.00 54.79 55.09 2krt n ASP 72 Cb 0.44 -4.38 0.00 0.00 -0.64 0.00 0.00 41.12 36.54 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 -0.47 2.85 3.82 0.44 0.00 -1.26 -5.17 105.19 105.40 2krt n GLY 73 Ca -0.19 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 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 2.00 5.31 0.18 1.61 2.15 -1.26 -4.77 116.67 121.89 2krt s ASP 74 Ca 0.00 1.62 -0.11 0.00 0.43 0.00 0.00 52.55 54.49 2krt s ASP 74 Cb 0.00 -2.48 0.10 0.00 -0.30 0.00 0.00 42.92 40.24 2krt s ASP 74 CO 0.00 -1.49 1.75 2.19 -0.17 0.00 0.00 175.17 177.45 2krt h PHE 75 N -0.75 0.99 -0.03 -5.34 -0.00 -2.00 -1.69 116.94 108.11 2krt h PHE 75 Ca -0.44 -0.07 -0.03 0.00 -0.00 0.00 0.00 57.97 57.43 2krt h PHE 75 Cb 1.21 -0.30 -0.01 0.00 -0.00 0.00 0.00 35.95 36.86 2krt h PHE 75 CO 0.61 0.77 -0.12 0.78 -0.00 0.00 0.00 178.31 180.36 2krt h GLY 76 N 0.92 0.05 2.00 6.09 0.00 -1.99 -0.59 103.07 109.55 2krt h GLY 76 Ca 0.22 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.49 2krt h GLY 76 CO -0.02 0.03 -0.13 0.23 0.00 0.00 0.00 176.54 176.65 2krt h SER 77 N 0.05 0.00 -0.00 0.19 0.87 -1.69 -2.02 113.55 110.94 2krt h SER 77 Ca 0.01 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.53 2krt h SER 77 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 2krt h SER 77 CO 0.02 0.13 -0.17 0.00 -0.53 0.00 0.00 176.83 176.27 2krt h ALA 78 N 1.87 0.02 -0.27 6.23 0.00 -0.57 -3.36 119.26 123.18 2krt h ALA 78 Ca -0.00 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 2krt h ALA 78 Cb 0.41 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2krt h ALA 78 CO 0.02 0.03 -0.10 -0.91 0.00 0.00 0.00 179.25 178.28 2krt h ASN 79 N -0.60 0.43 -0.02 0.00 2.35 -1.25 0.99 115.58 117.48 2krt h ASN 79 Ca -0.02 -0.10 0.01 0.00 -0.55 0.00 0.00 56.30 55.64 2krt h ASN 79 Cb 0.94 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 39.20 2krt h ASN 79 CO 0.03 0.57 0.02 0.07 -1.65 0.00 0.00 177.43 176.47 2krt h LYS 80 N 0.42 0.00 0.00 0.81 2.10 -1.35 -2.30 116.57 116.25 2krt h LYS 80 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 2krt h LYS 80 Cb 0.44 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.77 2krt h LYS 80 CO 0.02 0.00 0.00 -1.71 -2.00 0.00 0.00 179.45 175.76 2krt n ASN 81 N -4.02 0.39 -3.40 7.07 5.15 -1.03 -3.74 115.26 115.69 2krt n ASN 81 Ca -0.02 -0.69 -0.20 0.00 -0.60 0.00 0.00 54.58 53.07 2krt n ASN 81 Cb 0.11 0.54 0.08 0.00 -0.53 0.00 0.00 39.78 39.97 2krt n ASN 81 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2krt n GLY 82 N 0.54 -0.41 3.35 8.20 0.00 0.33 -4.56 105.19 112.64 2krt n GLY 82 Ca 0.00 0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2krt n GLY 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2krt s THR 83 N -3.32 2.21 0.06 2.61 -4.23 -0.61 -1.49 115.64 110.87 2krt s THR 83 Ca 0.32 -1.26 0.04 0.00 -1.18 0.00 0.00 61.69 59.62 2krt s THR 83 Cb -0.14 -1.83 -0.03 0.00 1.34 0.00 0.00 72.50 71.84 2krt s THR 83 CO 0.70 0.44 -0.12 -0.76 -0.54 0.00 0.00 174.62 174.34 2krt s LEU 84 N -1.04 2.26 -0.42 4.79 1.43 -1.02 -4.29 118.68 120.40 2krt s LEU 84 Ca 0.11 -0.58 -0.15 0.00 -1.03 0.00 0.00 54.13 52.49 2krt s LEU 84 Cb -0.10 -0.40 0.03 0.00 0.03 0.00 0.00 46.19 45.75 2krt s LEU 84 CO 0.01 -0.11 0.30 -0.54 0.23 0.00 0.00 176.35 176.24 2krt s LYS 85 N -1.65 2.95 -0.36 1.70 1.02 0.11 -2.63 119.74 120.88 2krt s LYS 85 Ca -0.04 -1.08 -0.29 0.00 0.02 0.00 0.00 55.97 54.58 2krt s LYS 85 Cb -0.10 -3.97 0.01 0.00 -0.52 0.00 0.00 37.83 33.25 2krt s LYS 85 CO 0.02 -0.79 1.22 -0.51 -0.92 0.00 0.00 175.35 174.37 2krt s LEU 86 N 1.66 3.79 -0.95 3.17 1.02 -0.26 -2.76 118.68 124.35 2krt s LEU 86 Ca 0.05 0.94 -0.22 0.00 0.02 0.00 0.00 54.13 54.92 2krt s LEU 86 Cb -0.20 -3.54 0.08 0.00 0.02 0.00 0.00 46.19 42.55 2krt s LEU 86 CO 0.09 -1.12 1.30 -0.55 0.02 0.00 0.00 176.35 176.09 2krt s SER 87 N 2.60 6.50 0.14 2.29 0.15 -0.66 -0.93 113.70 123.78 2krt s SER 87 Ca 0.52 -1.55 -0.18 0.00 0.70 0.00 0.00 55.95 55.44 2krt s SER 87 Cb -0.13 -2.50 -0.07 0.00 -1.71 0.00 0.00 66.02 61.60 2krt s SER 87 CO 0.25 -1.38 0.62 -0.76 1.20 0.00 0.00 173.24 173.17 2krt s LEU 88 N 4.22 4.43 -0.41 3.45 1.02 0.04 -0.07 118.68 131.36 2krt s LEU 88 Ca 0.39 1.28 -0.08 0.00 0.02 0.00 0.00 54.13 55.75 2krt s LEU 88 Cb -0.03 -3.23 0.08 0.00 0.02 0.00 0.00 46.19 43.03 2krt s LEU 88 CO -0.07 0.15 0.25 0.00 0.02 0.00 0.00 176.35 176.70 2krt s MET 89 N -1.60 2.54 -0.49 1.70 0.23 0.09 -0.92 119.30 120.84 2krt s MET 89 Ca 0.36 -1.50 -0.20 0.00 -1.03 0.00 0.00 55.69 53.32 2krt s MET 89 Cb -0.18 -3.74 0.04 0.00 -1.53 0.00 0.00 34.83 29.42 2krt s MET 89 CO 0.20 -0.96 0.68 -0.51 -2.03 0.00 0.00 175.02 172.40 2krt s LEU 90 N 1.39 4.68 -0.42 0.18 2.01 0.13 -3.62 118.68 123.04 2krt s LEU 90 Ca 0.03 -0.64 -0.27 0.00 0.01 0.00 0.00 54.13 53.26 2krt s LEU 90 Cb -0.23 -2.59 0.02 0.00 0.01 0.00 0.00 46.19 43.40 2krt s LEU 90 CO 0.01 -0.90 1.01 -0.89 1.01 0.00 0.00 176.35 176.59 2krt s THR 91 N 2.88 4.42 -0.71 5.49 2.01 -1.03 0.21 115.64 128.92 2krt s THR 91 Ca 0.20 1.15 -0.26 0.00 0.31 0.00 0.00 61.69 63.09 2krt s THR 91 Cb -0.17 -4.46 -0.06 0.00 0.01 0.00 0.00 72.50 67.82 2krt s THR 91 CO 0.15 -0.76 2.11 -1.81 -0.69 0.00 0.00 174.62 173.62 2krt s ASP 92 N 2.14 4.78 0.10 3.53 1.11 0.95 -2.32 116.67 126.97 2krt s ASP 92 Ca 0.42 0.13 -0.31 0.00 0.18 0.00 0.00 52.55 52.97 2krt s ASP 92 Cb -0.10 -2.54 -0.13 0.00 1.07 0.00 0.00 42.92 41.23 2krt s ASP 92 CO 0.24 -2.89 1.61 0.11 1.18 0.00 0.00 175.17 175.42 2krt h LYS 93 N 14.38 -0.69 0.00 8.23 1.79 -1.74 0.82 116.57 139.35 2krt h LYS 93 Ca -0.10 0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2krt h LYS 93 Cb 1.11 0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 31.91 2krt h LYS 93 CO 1.16 -0.46 -0.01 1.57 -1.08 0.00 0.00 179.45 180.63 2krt h LYS 94 N -0.72 0.00 0.00 3.15 2.10 -1.90 -2.28 116.57 116.92 2krt h LYS 94 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2krt h LYS 94 Cb 0.66 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.99 2krt h LYS 94 CO -0.08 0.01 -0.87 0.09 -2.00 0.00 0.00 179.45 176.60 2krt n ASN 95 N -3.51 0.85 -1.75 7.07 4.13 -0.92 -4.99 115.26 116.15 2krt n ASN 95 Ca -0.03 -0.68 -0.17 0.00 1.68 0.00 0.00 54.58 55.38 2krt n ASN 95 Cb 0.09 1.13 -0.03 0.00 -1.54 0.00 0.00 39.78 39.43 2krt n ASN 95 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2krt n ASN 96 N -1.47 -5.00 -3.89 6.41 5.03 0.28 -5.01 115.26 111.61 2krt n ASN 96 Ca 0.02 0.11 -0.17 0.00 0.87 0.00 0.00 54.58 55.41 2krt n ASN 96 Cb 0.26 -4.07 0.01 0.00 -1.02 0.00 0.00 39.78 34.95 2krt n ASN 96 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2krt n GLN 97 N -2.59 0.92 -3.87 3.52 1.13 -0.84 -4.92 117.38 110.73 2krt n GLN 97 Ca -0.19 -2.25 -0.12 0.00 -1.94 0.00 0.00 57.00 52.50 2krt n GLN 97 Cb 0.63 0.19 -0.13 0.00 0.11 0.00 0.00 30.24 31.03 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 -1.75 0.02 0.17 5.09 0.11 -1.26 -0.03 120.40 122.74 2krt s VAL 98 Ca 0.23 -0.16 0.07 0.00 -2.93 0.00 0.00 61.98 59.19 2krt s VAL 98 Cb -0.02 -0.14 -0.04 0.00 -1.53 0.00 0.00 36.38 34.65 2krt s VAL 98 CO 0.15 -0.09 -0.15 -0.47 -3.33 0.00 0.00 175.10 171.21 2krt s TYR 99 N -0.25 1.60 -0.12 1.54 5.04 0.13 -4.91 117.35 120.38 2krt s TYR 99 Ca -0.03 -0.57 0.01 0.00 -2.44 0.00 0.00 57.07 54.05 2krt s TYR 99 Cb -0.02 -0.79 0.02 0.00 0.35 0.00 0.00 41.96 41.52 2krt s TYR 99 CO 0.00 0.26 -0.15 0.71 -1.34 0.00 0.00 175.55 175.03 2krt s TYR 100 N -2.58 2.07 -0.10 4.97 2.02 -1.26 0.22 117.35 122.69 2krt s TYR 100 Ca 0.17 -1.04 0.02 0.00 -0.37 0.00 0.00 57.07 55.84 2krt s TYR 100 Cb -0.03 -1.50 0.01 0.00 -0.40 0.00 0.00 41.96 40.05 2krt s TYR 100 CO 0.05 -0.55 -0.15 0.21 -1.57 0.00 0.00 175.55 173.55 2krt s LYS 101 N 1.15 2.10 -0.24 -0.62 2.47 -0.10 -4.98 119.74 119.52 2krt s LYS 101 Ca -0.03 -0.53 -0.17 0.00 -1.56 0.00 0.00 55.97 53.68 2krt s LYS 101 Cb -0.14 -1.77 -0.03 0.00 -1.46 0.00 0.00 37.83 34.43 2krt s LYS 101 CO -0.05 -0.03 0.48 -0.51 0.16 0.00 0.00 175.35 175.40 2krt s LEU 102 N 0.89 4.09 -0.40 5.43 2.01 -1.26 -0.78 118.68 128.66 2krt s LEU 102 Ca -0.09 0.52 -0.15 0.00 0.01 0.00 0.00 54.13 54.42 2krt s LEU 102 Cb -0.15 -2.62 0.01 0.00 0.01 0.00 0.00 46.19 43.44 2krt s LEU 102 CO 0.00 -0.22 0.32 -0.76 1.01 0.00 0.00 176.35 176.70 2krt s LEU 103 N 1.98 4.96 -0.56 1.79 1.43 -0.11 -4.83 118.68 123.34 2krt s LEU 103 Ca 0.21 -0.77 -0.22 0.00 -1.03 0.00 0.00 54.13 52.32 2krt s LEU 103 Cb -0.15 -2.20 0.06 0.00 0.03 0.00 0.00 46.19 43.92 2krt s LEU 103 CO 0.09 -0.44 0.82 -1.61 0.23 0.00 0.00 176.35 175.44 2krt s GLU 104 N 1.77 3.20 0.06 1.70 2.02 -1.26 -1.10 118.70 125.09 2krt s GLU 104 Ca 0.07 -0.67 0.05 0.00 0.02 0.00 0.00 54.97 54.44 2krt s GLU 104 Cb -0.18 -4.12 -0.03 0.00 0.10 0.00 0.00 34.13 29.90 2krt s GLU 104 CO 0.11 -1.46 -0.15 0.14 0.02 0.00 0.00 175.26 173.91 2krt s VAL 105 N 3.42 1.20 0.24 2.63 -7.23 -1.08 -5.00 120.40 114.60 2krt s VAL 105 Ca 0.22 -1.22 0.07 0.00 -1.81 0.00 0.00 61.98 59.24 2krt s VAL 105 Cb -0.17 -1.12 -0.04 0.00 0.56 0.00 0.00 36.38 35.62 2krt s VAL 105 CO 0.14 -0.11 0.18 -0.44 -0.31 0.00 0.00 175.10 174.56 2krt s SER 106 N -1.53 5.49 0.00 4.85 0.01 -1.26 -2.44 113.70 118.82 2krt s SER 106 Ca 0.01 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.01 2krt s SER 106 Cb -0.09 -1.39 0.00 0.00 0.21 0.00 0.00 66.02 64.75 2krt s SER 106 CO 0.02 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.26 2krt n GLY 107 N -1.09 1.31 0.15 3.44 0.00 -0.55 -4.96 105.19 103.48 2krt n GLY 107 Ca -0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.24 -2.38 1.61 0.04 -1.54 -3.40 116.94 111.03 2krt h PHE 108 Ca 0.00 0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.73 2krt h PHE 108 Cb 0.00 0.12 -0.24 0.00 2.20 0.00 0.00 35.95 38.03 2krt h PHE 108 CO 0.00 -0.15 -0.19 0.21 -0.60 0.00 0.00 178.31 177.58 2krt s LYS 109 N -6.17 0.50 -0.87 1.51 2.47 -1.26 -4.46 119.74 111.46 2krt s LYS 109 Ca -0.14 1.00 -0.15 0.00 -1.56 0.00 0.00 55.97 55.13 2krt s LYS 109 Cb 0.09 0.12 0.21 0.00 -1.46 0.00 0.00 37.83 36.79 2krt s LYS 109 CO 0.67 -0.17 0.87 -1.54 0.16 0.00 0.00 175.35 175.34 2krt s SER 110 N 1.71 6.78 -0.61 1.43 1.04 -1.26 -3.29 113.70 119.49 2krt s SER 110 Ca -0.09 -2.62 0.06 0.00 0.48 0.00 0.00 55.95 53.78 2krt s SER 110 Cb -0.08 -2.25 0.22 0.00 0.10 0.00 0.00 66.02 64.01 2krt s SER 110 CO -0.16 -0.65 0.62 0.59 0.98 0.00 0.00 173.24 174.62 2krt n ASN 111 N 4.42 2.80 -0.26 7.02 4.13 -0.90 -4.99 115.26 127.48 2krt n ASN 111 Ca 0.17 -3.21 -0.06 0.00 1.68 0.00 0.00 54.58 53.16 2krt n ASN 111 Cb 0.47 -0.68 0.05 0.00 -1.54 0.00 0.00 39.78 38.08 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 4.59 1.04 0.00 3.52 0.13 -1.73 -3.19 132.00 136.36 2krt h PRO 112 Ca 0.17 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2krt h PRO 112 Cb 0.73 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.68 2krt h PRO 112 CO 0.72 0.84 0.00 2.48 -0.23 0.00 0.00 178.00 181.81 2krt n TYR 113 N -4.39 0.00 0.07 1.56 0.18 -1.26 -4.75 117.16 108.56 2krt n TYR 113 Ca 0.06 -0.07 -0.18 0.00 1.88 0.00 0.00 57.90 59.59 2krt n TYR 113 Cb 0.15 -0.01 -0.09 0.00 -0.38 0.00 0.00 39.34 39.02 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 0.00 0.74 -2.43 -3.48 3.38 -1.96 -3.28 115.31 108.29 2krt h LEU 114 Ca 0.00 -0.63 -0.00 0.00 0.09 0.00 0.00 57.88 57.34 2krt h LEU 114 Cb 0.42 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2krt h LEU 114 CO 0.00 1.43 -0.02 -0.33 0.09 0.00 0.00 178.44 179.62 2krt h GLU 115 N 0.29 0.00 -0.83 1.13 4.39 -1.89 -1.97 114.58 115.71 2krt h GLU 115 Ca -0.13 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.35 2krt h GLU 115 Cb 1.72 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 30.24 2krt h GLU 115 CO 0.20 0.02 0.28 0.72 -1.16 0.00 0.00 179.01 179.07 2krt n HIS 116 N -3.20 2.20 0.73 4.33 8.25 -1.24 -4.57 115.22 121.72 2krt n HIS 116 Ca -0.02 -1.14 0.00 0.00 -0.26 0.00 0.00 57.72 56.30 2krt n HIS 116 Cb 0.15 -0.65 0.00 0.00 1.12 0.00 0.00 29.99 30.61 2krt n HIS 116 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2krt n HIS 117 N -0.19 0.00 -3.71 4.41 1.44 -0.74 -4.62 115.22 111.80 2krt n HIS 117 Ca 0.37 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.97 2krt n HIS 117 Cb 1.28 -0.06 -0.10 0.00 0.12 0.00 0.00 29.99 31.23 2krt n HIS 117 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2krt s HIS 118 N -1.07 -0.56 -0.33 -1.40 -3.43 -1.26 -5.12 115.29 102.12 2krt s HIS 118 Ca 0.00 1.28 -0.28 0.00 -0.80 0.00 0.00 55.06 55.26 2krt s HIS 118 Cb 0.00 0.23 -0.03 0.00 -1.43 0.00 0.00 32.58 31.35 2krt s HIS 118 CO 0.00 -0.29 1.96 -1.01 -2.00 0.00 0.00 174.74 173.40 2krt s HIS 119 N 0.75 1.57 -0.86 0.38 3.76 -1.26 -4.81 115.29 114.81 2krt s HIS 119 Ca -0.04 0.67 0.27 0.00 -0.15 0.00 0.00 55.06 55.81 2krt s HIS 119 Cb -0.05 -4.04 0.84 0.00 1.11 0.00 0.00 32.58 30.45 2krt s HIS 119 CO -0.05 -3.20 1.70 -2.39 -0.85 0.00 0.00 174.74 169.95 2krt n HIS 120 N 11.20 0.36 -1.91 1.40 -0.00 -1.26 -5.25 115.22 119.76 2krt n HIS 120 Ca 0.25 0.10 0.00 0.00 -0.00 0.00 0.00 57.72 58.08 2krt n HIS 120 Cb 0.47 -0.61 0.00 0.00 -0.00 0.00 0.00 29.99 29.85 2krt n HIS 120 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92