#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 0.17 0.00 -0.89 4.07 -2.11 -3.47 115.31 113.08 2krt h LEU 2 Ca 0.00 -0.83 0.00 0.00 0.08 0.00 0.00 57.88 57.13 2krt h LEU 2 Cb 0.00 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.68 2krt h LEU 2 CO 0.00 1.35 0.00 -1.20 -1.08 0.00 0.00 178.44 177.51 2krt n SER 3 N -4.31 0.00 -3.02 -0.43 7.64 -1.26 -4.76 113.62 107.48 2krt n SER 3 Ca -0.20 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.55 2krt n SER 3 Cb 0.69 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.88 2krt n SER 3 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2krt n GLN 4 N 0.00 -2.47 -1.61 1.43 10.64 -1.26 -4.92 117.38 119.19 2krt n GLN 4 Ca 0.00 0.12 -0.31 0.00 -1.83 0.00 0.00 57.00 54.98 2krt n GLN 4 Cb 0.00 -4.66 0.06 0.00 -0.86 0.00 0.00 30.24 24.78 2krt n GLN 4 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2krt s ALA 5 N -2.40 2.59 0.55 2.61 0.00 -1.26 -4.86 121.76 118.99 2krt s ALA 5 Ca 0.22 -0.06 0.25 0.00 0.00 0.00 0.00 51.96 52.37 2krt s ALA 5 Cb -0.13 -3.13 1.49 0.00 0.00 0.00 0.00 23.12 21.35 2krt s ALA 5 CO 0.27 -1.34 2.08 -0.91 0.00 0.00 0.00 175.76 175.87 2krt h ASN 6 N -0.80 0.00 -0.29 0.00 2.35 -2.00 0.10 115.58 114.95 2krt h ASN 6 Ca -0.45 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.25 2krt h ASN 6 Cb 1.23 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.58 2krt h ASN 6 CO 0.59 0.00 0.01 1.05 -1.65 0.00 0.00 177.43 177.43 2krt h GLU 7 N 0.00 0.61 -0.12 0.81 4.11 -1.99 0.28 114.58 118.28 2krt h GLU 7 Ca 0.12 -0.14 -0.11 0.00 0.07 0.00 0.00 59.36 59.30 2krt h GLU 7 Cb 0.52 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2krt h GLU 7 CO -0.00 0.62 -0.37 0.22 0.07 0.00 0.00 179.01 179.55 2krt h ASP 8 N 0.58 0.53 -0.15 3.06 3.58 -1.15 -2.60 116.42 120.27 2krt h ASP 8 Ca 0.12 -0.60 -0.01 0.00 0.42 0.00 0.00 57.03 56.97 2krt h ASP 8 Cb 0.35 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 2krt h ASP 8 CO 0.01 1.04 0.07 -0.26 -2.88 0.00 0.00 179.24 177.22 2krt h PHE 9 N 0.05 0.22 -0.61 0.28 -1.00 -1.32 -2.23 116.94 112.33 2krt h PHE 9 Ca -0.01 -0.01 0.03 0.00 2.81 0.00 0.00 57.97 60.79 2krt h PHE 9 Cb 0.99 -0.07 -0.03 0.00 3.61 0.00 0.00 35.95 40.45 2krt h PHE 9 CO 0.11 0.26 0.40 1.57 -1.61 0.00 0.00 178.31 179.04 2krt h LYS 10 N 0.11 0.70 -0.04 1.51 2.10 -1.01 -0.27 116.57 119.67 2krt h LYS 10 Ca 0.05 -0.04 0.02 0.00 -2.00 0.00 0.00 60.65 58.68 2krt h LYS 10 Cb 0.13 -0.16 -0.02 0.00 -0.90 0.00 0.00 32.23 31.28 2krt h LYS 10 CO -0.01 0.47 -0.08 -0.22 -2.00 0.00 0.00 179.45 177.61 2krt h LYS 11 N 0.72 -0.12 -0.81 0.07 3.64 -1.19 -0.64 116.57 118.25 2krt h LYS 11 Ca 0.24 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.73 2krt h LYS 11 Cb 0.07 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.84 2krt h LYS 11 CO -0.07 -0.08 0.45 0.82 -2.27 0.00 0.00 179.45 178.30 2krt h ILE 12 N -0.12 0.88 -0.93 2.00 2.04 -0.61 0.46 117.51 121.22 2krt h ILE 12 Ca 0.04 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 2krt h ILE 12 Cb 0.19 0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.29 2krt h ILE 12 CO -0.11 0.14 0.54 0.58 0.00 0.00 0.00 178.15 179.29 2krt h VAL 13 N 0.74 1.26 0.00 1.67 2.07 -0.58 -1.14 116.25 120.28 2krt h VAL 13 Ca 0.40 -0.60 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 2krt h VAL 13 Cb 0.39 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 2krt h VAL 13 CO -0.26 0.28 -0.40 0.78 0.02 0.00 0.00 177.57 177.99 2krt h ASN 14 N 1.30 0.00 -0.23 0.57 2.35 -0.36 -3.22 115.58 115.99 2krt h ASN 14 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 2krt h ASN 14 Cb -0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.35 2krt h ASN 14 CO -0.06 0.28 0.00 0.59 -1.65 0.00 0.00 177.43 176.59 2krt n ASN 15 N -3.12 1.64 -4.55 5.81 5.03 0.16 -4.87 115.26 115.35 2krt n ASN 15 Ca 0.02 -1.82 -0.38 0.00 0.87 0.00 0.00 54.58 53.26 2krt n ASN 15 Cb 0.65 -0.15 -0.04 0.00 -1.02 0.00 0.00 39.78 39.22 2krt n ASN 15 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 2krt n ILE 16 N 0.34 0.00 -3.95 2.41 5.41 -0.48 -4.83 119.36 118.26 2krt n ILE 16 Ca 0.14 -0.68 -0.36 0.00 1.00 0.00 0.00 62.75 62.84 2krt n ILE 16 Cb 0.30 -2.60 -0.06 0.00 -0.71 0.00 0.00 39.64 36.56 2krt n ILE 16 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2krt s ARG 17 N 7.92 3.37 0.00 0.38 6.06 -1.26 -4.95 118.95 130.46 2krt s ARG 17 Ca 1.01 -0.19 -0.04 0.00 -2.50 0.00 0.00 55.73 54.01 2krt s ARG 17 Cb -0.28 -3.12 -0.18 0.00 0.06 0.00 0.00 34.95 31.42 2krt s ARG 17 CO 0.30 0.76 2.75 1.47 -2.50 0.00 0.00 175.30 178.08 2krt n LEU 18 N 1.90 4.02 0.00 -0.88 -0.00 -1.26 -1.42 117.00 119.36 2krt n LEU 18 Ca -0.19 -2.48 0.00 0.00 -0.00 0.00 0.00 56.01 53.35 2krt n LEU 18 Cb 0.55 -1.06 0.00 0.00 -0.00 0.00 0.00 43.42 42.90 2krt n LEU 18 CO 0.32 1.14 0.00 1.17 -0.00 0.00 0.00 177.39 180.02 2krt n LYS 19 N 2.51 0.00 -0.00 1.47 4.81 -0.33 -4.74 118.16 121.88 2krt n LYS 19 Ca 0.29 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.61 2krt n LYS 19 Cb 0.67 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.58 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 0.15 0.03 3.14 3.58 -1.94 -3.41 116.42 117.97 2krt h ASP 20 Ca 0.00 -0.31 -0.38 0.00 0.42 0.00 0.00 57.03 56.75 2krt h ASP 20 Cb 0.00 -0.05 -0.06 0.00 1.72 0.00 0.00 39.33 40.94 2krt h ASP 20 CO 0.00 1.28 -2.39 0.41 -2.88 0.00 0.00 179.24 175.66 2krt n THR 21 N -3.22 1.54 -3.53 2.25 -1.04 -0.51 -4.25 114.28 105.53 2krt n THR 21 Ca -0.20 -0.60 -0.14 0.00 -2.04 0.00 0.00 64.05 61.07 2krt n THR 21 Cb 1.05 -1.45 -0.05 0.00 -1.82 0.00 0.00 70.33 68.06 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 -2.53 -0.49 -0.25 -1.42 -0.71 -1.07 -2.09 117.98 109.41 2krt s PHE 22 Ca -0.32 0.56 0.02 0.00 -1.04 0.00 0.00 56.93 56.15 2krt s PHE 22 Cb 0.08 0.41 0.05 0.00 -1.21 0.00 0.00 43.02 42.35 2krt s PHE 22 CO 0.64 -0.69 -0.10 -0.51 -1.34 0.00 0.00 175.22 173.22 2krt s ASP 23 N -2.01 4.32 -0.21 1.98 1.11 -0.76 -1.19 116.67 119.91 2krt s ASP 23 Ca -0.05 -1.24 -0.15 0.00 0.18 0.00 0.00 52.55 51.30 2krt s ASP 23 Cb -0.01 -1.57 -0.04 0.00 1.07 0.00 0.00 42.92 42.37 2krt s ASP 23 CO -0.02 -0.17 0.36 0.72 1.18 0.00 0.00 175.17 177.24 2krt s PHE 24 N 1.17 3.36 -0.11 4.23 -0.71 -1.25 -0.75 117.98 123.90 2krt s PHE 24 Ca -0.06 0.54 -0.05 0.00 -1.04 0.00 0.00 56.93 56.33 2krt s PHE 24 Cb -0.19 -2.49 -0.04 0.00 -1.21 0.00 0.00 43.02 39.10 2krt s PHE 24 CO -0.05 -0.01 0.06 0.21 -1.34 0.00 0.00 175.22 174.09 2krt s LYS 25 N 1.32 3.32 -0.21 1.99 2.20 0.06 -4.87 119.74 123.56 2krt s LYS 25 Ca 0.17 -0.29 -0.17 0.00 -0.36 0.00 0.00 55.97 55.32 2krt s LYS 25 Cb -0.15 -3.01 -0.04 0.00 -1.51 0.00 0.00 37.83 33.12 2krt s LYS 25 CO 0.07 0.66 0.45 -0.51 -0.36 0.00 0.00 175.35 175.67 2krt s LEU 26 N -0.74 4.14 0.27 5.43 2.01 -1.26 -1.07 118.68 127.46 2krt s LEU 26 Ca 0.12 0.57 -0.04 0.00 0.01 0.00 0.00 54.13 54.79 2krt s LEU 26 Cb -0.12 -2.60 0.35 0.00 0.01 0.00 0.00 46.19 43.84 2krt s LEU 26 CO 0.03 -0.13 1.92 0.00 1.01 0.00 0.00 176.35 179.18 2krt h ALA 27 N 7.48 1.35 0.00 4.21 0.00 -1.07 -0.92 119.26 130.31 2krt h ALA 27 Ca -0.35 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2krt h ALA 27 Cb 1.16 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2krt h ALA 27 CO 0.72 0.57 0.00 0.00 0.00 0.00 0.00 179.25 180.54 2krt h ALA 28 N 1.42 1.00 -2.47 0.00 0.00 -1.83 -3.34 119.26 114.04 2krt h ALA 28 Ca 0.37 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.69 2krt h ALA 28 Cb -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.35 2krt h ALA 28 CO -0.10 0.00 -0.89 1.19 0.00 0.00 0.00 179.25 179.44 2krt n PHE 29 N -2.50 0.15 0.75 0.00 3.72 -0.35 -4.98 117.46 114.25 2krt n PHE 29 Ca 0.01 -3.57 0.07 0.00 -0.05 0.00 0.00 57.45 53.91 2krt n PHE 29 Cb 0.24 -0.01 0.37 0.00 -0.94 0.00 0.00 39.48 39.14 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 2.45 0.33 -0.16 -1.08 -0.04 -1.21 -2.12 135.00 133.17 2krt n PRO 30 Ca 0.27 0.06 0.07 0.00 -0.04 0.00 0.00 63.50 63.86 2krt n PRO 30 Cb 0.46 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.11 1.75 -4.00 3.54 3.02 -1.26 -5.03 115.26 112.16 2krt n ASN 31 Ca 0.09 -2.71 -0.29 0.00 -0.03 0.00 0.00 54.58 51.64 2krt n ASN 31 Cb 0.07 -0.33 0.19 0.00 -0.61 0.00 0.00 39.78 39.10 2krt n ASN 31 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2krt n GLN 32 N -1.01 -1.14 -3.70 3.52 -0.00 -0.90 -5.11 117.38 109.04 2krt n GLN 32 Ca 0.11 -2.16 -0.12 0.00 -0.00 0.00 0.00 57.00 54.83 2krt n GLN 32 Cb 0.62 -1.28 -0.13 0.00 -0.00 0.00 0.00 30.24 29.45 2krt n GLN 32 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 2krt s ASN 33 N -5.77 -0.05 0.44 2.61 3.84 -1.26 -5.04 114.94 109.72 2krt s ASN 33 Ca 0.74 0.61 0.22 0.00 0.21 0.00 0.00 52.86 54.64 2krt s ASN 33 Cb -0.02 0.60 1.19 0.00 -0.55 0.00 0.00 41.25 42.47 2krt s ASN 33 CO 0.52 -0.20 1.84 0.10 -2.79 0.00 0.00 177.10 176.56 2krt h TYR 34 N 7.66 0.43 0.00 0.43 -0.00 -1.95 0.13 116.97 123.68 2krt h TYR 34 Ca -0.29 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.46 2krt h TYR 34 Cb 1.14 -0.13 0.00 0.00 0.00 0.00 0.00 36.73 37.74 2krt h TYR 34 CO 0.35 0.09 0.00 -0.25 -0.00 0.00 0.00 178.16 178.34 2krt n ASP 35 N -4.47 0.00 -0.25 0.10 9.92 -1.26 -2.95 116.55 117.63 2krt n ASP 35 Ca 0.21 0.45 0.03 0.00 -0.53 0.00 0.00 54.79 54.94 2krt n ASP 35 Cb 0.83 -0.46 0.04 0.00 -0.64 0.00 0.00 41.12 40.89 2krt n ASP 35 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2krt n GLN 36 N -1.46 0.62 -4.85 -1.24 6.02 0.46 -4.63 117.38 112.30 2krt n GLN 36 Ca 0.01 -1.38 -0.33 0.00 -0.01 0.00 0.00 57.00 55.30 2krt n GLN 36 Cb 0.05 -0.81 -0.13 0.00 1.02 0.00 0.00 30.24 30.37 2krt n GLN 36 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2krt s LEU 37 N -0.85 2.76 0.37 1.08 2.01 -1.15 -4.94 118.68 117.95 2krt s LEU 37 Ca 0.08 -0.21 -0.26 0.00 0.01 0.00 0.00 54.13 53.75 2krt s LEU 37 Cb 0.07 -1.58 -0.09 0.00 0.01 0.00 0.00 46.19 44.61 2krt s LEU 37 CO 0.01 0.31 1.13 -0.76 1.01 0.00 0.00 176.35 178.05 2krt s LEU 38 N -0.51 4.28 0.32 1.79 1.43 -1.26 -4.43 118.68 120.30 2krt s LEU 38 Ca 0.07 2.27 0.01 0.00 -1.03 0.00 0.00 54.13 55.44 2krt s LEU 38 Cb -0.12 -3.94 0.55 0.00 0.03 0.00 0.00 46.19 42.71 2krt s LEU 38 CO 0.02 -0.49 1.95 1.55 0.23 0.00 0.00 176.35 179.61 2krt h PRO 39 N 2.94 0.97 -0.54 1.29 0.13 -1.98 -2.05 132.00 132.76 2krt h PRO 39 Ca -0.48 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.56 2krt h PRO 39 Cb 1.22 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 32.11 2krt h PRO 39 CO 0.64 0.64 0.23 0.66 -0.23 0.00 0.00 178.00 179.93 2krt h SER 40 N 0.99 0.73 -0.52 1.44 4.64 -2.00 -1.74 113.55 117.10 2krt h SER 40 Ca 0.34 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2krt h SER 40 Cb 0.08 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 2krt h SER 40 CO -0.10 0.68 0.31 1.56 -0.87 0.00 0.00 176.83 178.41 2krt h GLN 41 N 0.72 0.70 -0.43 4.77 1.08 -1.78 -1.70 115.11 118.47 2krt h GLN 41 Ca 0.18 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.30 2krt h GLN 41 Cb 0.17 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 2krt h GLN 41 CO -0.02 0.51 0.19 0.82 -0.95 0.00 0.00 178.83 179.39 2krt h ILE 42 N 0.69 1.19 -0.23 2.54 2.04 -1.29 0.24 117.51 122.69 2krt h ILE 42 Ca 0.18 -0.57 0.03 0.00 1.00 0.00 0.00 64.86 65.51 2krt h ILE 42 Cb -0.01 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 2krt h ILE 42 CO -0.03 0.21 0.02 0.22 0.00 0.00 0.00 178.15 178.57 2krt h TYR 43 N 0.56 0.03 -0.04 1.37 3.20 -1.08 -1.07 116.97 119.94 2krt h TYR 43 Ca 0.15 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.95 2krt h TYR 43 Cb 0.15 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 2krt h TYR 43 CO -0.00 -0.01 -0.34 0.87 -1.64 0.00 0.00 178.16 177.04 2krt h LYS 44 N 0.10 0.08 0.00 1.82 1.79 -1.18 -2.82 116.57 116.36 2krt h LYS 44 Ca 0.11 -0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 58.49 2krt h LYS 44 Cb 0.12 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 2krt h LYS 44 CO -0.16 0.41 -0.30 -0.97 -1.08 0.00 0.00 179.45 177.35 2krt h ASN 45 N 0.07 0.00 -0.90 0.86 -0.73 -0.33 -3.06 115.58 111.49 2krt h ASN 45 Ca 0.01 0.00 0.21 0.00 1.87 0.00 0.00 56.30 58.38 2krt h ASN 45 Cb 0.64 0.00 -0.12 0.00 0.27 0.00 0.00 38.32 39.11 2krt h ASN 45 CO 0.05 0.30 0.42 0.22 -0.37 0.00 0.00 177.43 178.05 2krt h TYR 46 N 0.00 0.71 0.00 0.67 3.20 -0.94 0.11 116.97 120.72 2krt h TYR 46 Ca -0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2krt h TYR 46 Cb 0.87 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.96 2krt h TYR 46 CO 0.00 0.01 0.00 0.66 -1.64 0.00 0.00 178.16 177.19 2krt n TYR 47 N -4.99 0.00 -0.02 -3.82 4.01 -1.16 -2.28 117.16 108.91 2krt n TYR 47 Ca 0.22 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.78 2krt n TYR 47 Cb 0.62 -0.48 -0.14 0.00 -0.31 0.00 0.00 39.34 39.03 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 -1.48 0.72 0.00 -0.72 1.13 0.33 -5.09 117.38 112.26 2krt n GLN 48 Ca 0.05 0.25 0.00 0.00 -1.94 0.00 0.00 57.00 55.35 2krt n GLN 48 Cb 0.20 -1.70 0.00 0.00 0.11 0.00 0.00 30.24 28.85 2krt n GLN 48 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2krt n GLY 49 N 1.92 4.65 2.87 1.08 0.00 -0.84 -4.82 105.19 110.05 2krt n GLY 49 Ca -0.30 -1.06 -0.21 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.72 0.51 -0.15 -0.61 1.01 -1.26 -0.54 121.20 118.45 2krt s ILE 50 Ca 0.00 -0.08 -0.13 0.00 0.00 0.00 0.00 60.65 60.44 2krt s ILE 50 Cb 0.00 -0.56 -0.05 0.00 0.01 0.00 0.00 42.46 41.86 2krt s ILE 50 CO 0.00 0.23 0.29 -1.61 0.00 0.00 0.00 174.94 173.85 2krt s GLU 51 N 1.12 4.19 -0.43 2.79 2.02 -0.23 -4.90 118.70 123.26 2krt s GLU 51 Ca -0.08 0.10 -0.13 0.00 0.02 0.00 0.00 54.97 54.88 2krt s GLU 51 Cb -0.14 -3.40 0.05 0.00 0.10 0.00 0.00 34.13 30.75 2krt s GLU 51 CO -0.01 0.30 0.31 0.42 0.02 0.00 0.00 175.26 176.30 2krt s ILE 52 N 0.29 4.90 -0.05 -1.63 -1.09 -1.26 -0.76 121.20 121.60 2krt s ILE 52 Ca 0.17 -1.00 -0.22 0.00 -2.23 0.00 0.00 60.65 57.37 2krt s ILE 52 Cb -0.13 -3.86 -0.04 0.00 -1.58 0.00 0.00 42.46 36.84 2krt s ILE 52 CO 0.04 -0.44 0.63 -1.58 -1.23 0.00 0.00 174.94 172.37 2krt s GLN 53 N 1.59 4.39 0.54 2.79 2.00 0.07 -4.94 119.66 126.09 2krt s GLN 53 Ca 0.04 0.77 -0.17 0.00 -2.00 0.00 0.00 55.36 53.99 2krt s GLN 53 Cb -0.22 -3.41 -0.06 0.00 0.80 0.00 0.00 33.01 30.12 2krt s GLN 53 CO 0.06 0.19 1.02 -0.65 -0.50 0.00 0.00 175.29 175.42 2krt s GLN 54 N 0.39 3.70 0.38 1.67 -0.21 -1.26 -1.83 119.66 122.50 2krt s GLN 54 Ca 0.33 1.12 0.00 0.00 0.02 0.00 0.00 55.36 56.84 2krt s GLN 54 Cb -0.18 -2.09 0.00 0.00 1.00 0.00 0.00 33.01 31.74 2krt s GLN 54 CO 0.17 -0.49 0.00 1.58 -2.12 0.00 0.00 175.29 174.43 2krt n HIS 55 N -1.61 -3.91 -4.06 0.91 -0.00 -1.11 -4.81 115.22 100.64 2krt n HIS 55 Ca 0.08 1.17 -0.34 0.00 0.46 0.00 0.00 57.72 59.10 2krt n HIS 55 Cb 0.53 2.85 -0.15 0.00 -0.12 0.00 0.00 29.99 33.10 2krt n HIS 55 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 2krt s LYS 56 N -2.00 3.04 -0.75 1.57 2.20 -0.89 -4.79 119.74 118.12 2krt s LYS 56 Ca 0.00 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 54.80 2krt s LYS 56 Cb 0.00 -2.71 0.00 0.00 -1.51 0.00 0.00 37.83 33.61 2krt s LYS 56 CO 0.00 -0.23 0.00 0.66 -0.36 0.00 0.00 175.35 175.42 2krt n TYR 57 N 4.66 -1.53 1.06 4.03 4.02 -1.26 -4.79 117.16 123.34 2krt n TYR 57 Ca -0.20 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.75 2krt n TYR 57 Cb 0.50 -2.22 0.32 0.00 -0.02 0.00 0.00 39.34 37.91 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 -2.65 0.53 0.10 -0.72 1.13 -1.26 -2.09 117.38 112.41 2krt n GLN 58 Ca -0.10 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.73 2krt n GLN 58 Cb 0.56 -1.32 -0.15 0.00 0.11 0.00 0.00 30.24 29.45 2krt n GLN 58 CO 0.00 0.00 0.00 -0.97 -1.44 0.00 0.00 177.06 174.65 2krt h ASN 59 N 0.00 0.70 0.92 1.08 -1.24 -2.00 -3.38 115.58 111.66 2krt h ASN 59 Ca 0.00 -0.91 -0.20 0.00 0.71 0.00 0.00 56.30 55.90 2krt h ASN 59 Cb 0.00 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 38.79 2krt h ASN 59 CO 0.00 1.55 -1.15 -0.33 -1.29 0.00 0.00 177.43 176.21 2krt h GLU 60 N -0.04 0.00 -4.02 6.67 4.39 -1.79 -3.44 114.58 116.36 2krt h GLU 60 Ca -0.19 0.00 -0.41 0.00 0.34 0.00 0.00 59.36 59.09 2krt h GLU 60 Cb 1.89 0.00 -0.34 0.00 -0.10 0.00 0.00 28.75 30.20 2krt h GLU 60 CO 0.22 0.61 -0.77 -0.48 -1.16 0.00 0.00 179.01 177.43 2krt s LEU 61 N -6.30 1.29 -0.14 1.33 2.34 -1.20 0.46 118.68 116.46 2krt s LEU 61 Ca -0.01 -0.13 -0.15 0.00 0.06 0.00 0.00 54.13 53.91 2krt s LEU 61 Cb 0.09 -0.46 -0.05 0.00 -0.56 0.00 0.00 46.19 45.21 2krt s LEU 61 CO 0.80 -0.06 0.33 -0.62 -1.06 0.00 0.00 176.35 175.74 2krt s ASP 62 N 0.98 6.51 -0.21 1.48 2.15 -0.50 -4.39 116.67 122.68 2krt s ASP 62 Ca -0.10 0.60 -0.10 0.00 0.43 0.00 0.00 52.55 53.37 2krt s ASP 62 Cb -0.14 -2.20 -0.05 0.00 -0.30 0.00 0.00 42.92 40.22 2krt s ASP 62 CO -0.00 0.10 0.14 -0.63 -0.17 0.00 0.00 175.17 174.61 2krt s ILE 63 N 0.35 5.39 -0.01 4.11 1.01 -1.26 -0.84 121.20 129.94 2krt s ILE 63 Ca 0.19 0.19 -0.02 0.00 0.00 0.00 0.00 60.65 61.01 2krt s ILE 63 Cb -0.14 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 38.85 2krt s ILE 63 CO 0.06 0.41 0.05 -0.54 0.00 0.00 0.00 174.94 174.92 2krt s LYS 64 N 0.57 0.12 -0.14 2.79 -0.14 -1.16 -4.91 119.74 116.86 2krt s LYS 64 Ca 0.08 -0.04 -0.11 0.00 -1.36 0.00 0.00 55.97 54.54 2krt s LYS 64 Cb -0.12 0.05 -0.05 0.00 -1.68 0.00 0.00 37.83 36.04 2krt s LYS 64 CO -0.00 -0.02 0.21 0.42 -0.76 0.00 0.00 175.35 175.20 2krt s ILE 65 N -0.25 5.37 -0.16 2.17 1.01 -1.26 -0.39 121.20 127.69 2krt s ILE 65 Ca -0.03 0.37 -0.12 0.00 0.00 0.00 0.00 60.65 60.87 2krt s ILE 65 Cb -0.02 -3.52 -0.06 0.00 0.01 0.00 0.00 42.46 38.87 2krt s ILE 65 CO 0.00 0.49 -0.17 -0.38 0.00 0.00 0.00 174.94 174.88 2krt n ILE 66 N 2.91 1.45 -3.53 2.92 5.41 0.38 -4.95 119.36 123.97 2krt n ILE 66 Ca -0.16 0.15 -0.04 0.00 1.00 0.00 0.00 62.75 63.71 2krt n ILE 66 Cb 0.53 -2.33 0.01 0.00 -0.71 0.00 0.00 39.64 37.14 2krt n ILE 66 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 2krt n ASN 67 N -4.55 -1.13 -4.04 4.38 0.23 -1.25 -5.04 115.26 103.85 2krt n ASN 67 Ca -0.13 -1.72 -0.27 0.00 -0.53 0.00 0.00 54.58 51.93 2krt n ASN 67 Cb 0.38 1.88 -0.17 0.00 -2.08 0.00 0.00 39.78 39.79 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 -4.76 1.76 0.11 -2.53 0.08 -1.26 -1.75 117.98 109.62 2krt s PHE 68 Ca 0.10 -0.76 0.09 0.00 0.12 0.00 0.00 56.93 56.48 2krt s PHE 68 Cb -0.02 -1.28 -0.04 0.00 -0.57 0.00 0.00 43.02 41.11 2krt s PHE 68 CO 0.05 -0.39 -0.18 -0.51 -0.10 0.00 0.00 175.22 174.09 2krt s LEU 69 N 0.88 2.70 0.10 -0.37 1.02 -0.35 -4.97 118.68 117.68 2krt s LEU 69 Ca -0.10 -0.54 -0.12 0.00 0.02 0.00 0.00 54.13 53.39 2krt s LEU 69 Cb -0.15 -1.55 -0.06 0.00 0.02 0.00 0.00 46.19 44.45 2krt s LEU 69 CO 0.01 0.18 0.46 -0.31 0.02 0.00 0.00 176.35 176.71 2krt s TYR 70 N -1.13 3.60 0.00 0.29 2.02 -1.26 -0.86 117.35 120.02 2krt s TYR 70 Ca 0.18 0.91 0.00 0.00 -0.37 0.00 0.00 57.07 57.79 2krt s TYR 70 Cb -0.11 -2.25 0.00 0.00 -0.40 0.00 0.00 41.96 39.20 2krt s TYR 70 CO 0.10 0.49 0.55 -2.30 -1.57 0.00 0.00 175.55 172.82 2krt n PRO 71 N 0.94 0.00 -0.94 -1.71 -0.02 -1.26 -1.55 135.00 130.46 2krt n PRO 71 Ca -0.07 0.55 -0.19 0.00 -2.02 0.00 0.00 63.50 61.76 2krt n PRO 71 Cb 0.52 -1.01 0.11 0.00 -0.02 0.00 0.00 33.50 33.10 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 -1.31 4.39 -1.71 2.55 9.92 -1.26 -4.82 116.55 124.31 2krt n ASP 72 Ca 0.00 -3.22 -0.15 0.00 -0.53 0.00 0.00 54.79 50.89 2krt n ASP 72 Cb 0.00 -0.81 -0.01 0.00 -0.64 0.00 0.00 41.12 39.66 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 -0.59 -0.20 2.83 0.44 0.00 -0.59 -5.02 105.19 102.06 2krt n GLY 73 Ca 0.44 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.33 0.04 0.27 1.61 2.15 -1.26 -5.00 116.67 112.15 2krt s ASP 74 Ca 0.00 0.02 0.01 0.00 0.43 0.00 0.00 52.55 53.00 2krt s ASP 74 Cb 0.00 -0.03 0.37 0.00 -0.30 0.00 0.00 42.92 42.95 2krt s ASP 74 CO 0.00 -0.06 1.72 2.19 -0.17 0.00 0.00 175.17 178.85 2krt h PHE 75 N 6.66 0.65 -0.79 -5.34 -0.00 -1.95 -2.57 116.94 113.60 2krt h PHE 75 Ca -0.34 -0.13 -0.05 0.00 -0.00 0.00 0.00 57.97 57.46 2krt h PHE 75 Cb 1.17 -0.16 -0.03 0.00 -0.00 0.00 0.00 35.95 36.92 2krt h PHE 75 CO 0.45 0.74 0.30 0.78 -0.00 0.00 0.00 178.31 180.59 2krt h GLY 76 N 0.99 1.27 1.07 6.09 0.00 -2.00 -2.15 103.07 108.34 2krt h GLY 76 Ca 0.08 -0.71 0.02 0.00 0.00 0.00 0.00 47.33 46.73 2krt h GLY 76 CO 0.04 0.66 0.59 0.23 0.00 0.00 0.00 176.54 178.07 2krt h SER 77 N 1.15 0.99 -0.87 0.19 0.87 -1.93 -1.14 113.55 112.81 2krt h SER 77 Ca 0.26 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 2krt h SER 77 Cb 0.24 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 2krt h SER 77 CO -0.02 0.70 0.50 0.00 -0.53 0.00 0.00 176.83 177.48 2krt h ALA 78 N 1.46 1.12 -0.09 6.23 0.00 -1.01 -2.52 119.26 124.45 2krt h ALA 78 Ca 0.34 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 2krt h ALA 78 Cb -0.06 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.38 2krt h ALA 78 CO -0.09 0.60 -0.17 -0.97 0.00 0.00 0.00 179.25 178.62 2krt h ASN 79 N 1.21 0.31 0.20 0.00 -1.24 -0.88 0.55 115.58 115.73 2krt h ASN 79 Ca 0.31 -0.56 -0.04 0.00 0.71 0.00 0.00 56.30 56.72 2krt h ASN 79 Cb -0.01 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 38.95 2krt h ASN 79 CO -0.05 0.81 -0.19 0.07 -1.29 0.00 0.00 177.43 176.78 2krt h LYS 80 N -0.18 0.00 0.00 6.67 2.10 -1.18 0.56 116.57 124.54 2krt h LYS 80 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2krt h LYS 80 Cb 0.76 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.09 2krt h LYS 80 CO 0.04 0.19 -1.84 0.09 -2.00 0.00 0.00 179.45 175.92 2krt n ASN 81 N -4.27 0.27 -0.97 7.07 4.13 -0.95 -3.54 115.26 117.00 2krt n ASN 81 Ca -0.02 -0.12 -0.13 0.00 1.68 0.00 0.00 54.58 55.99 2krt n ASN 81 Cb 0.25 1.85 -0.05 0.00 -1.54 0.00 0.00 39.78 40.29 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 1.33 1.34 3.58 7.41 0.00 0.19 -4.76 105.19 114.29 2krt n GLY 82 Ca -0.03 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.44 3.65 -0.04 2.61 -4.23 -1.00 -1.31 115.64 112.87 2krt s THR 83 Ca 0.00 -0.63 0.04 0.00 -1.18 0.00 0.00 61.69 59.92 2krt s THR 83 Cb 0.00 -2.54 -0.00 0.00 1.34 0.00 0.00 72.50 71.30 2krt s THR 83 CO 0.00 0.50 -0.17 -0.22 -0.54 0.00 0.00 174.62 174.19 2krt s LEU 84 N -1.10 1.93 -0.44 4.79 2.96 -1.20 -4.56 118.68 121.06 2krt s LEU 84 Ca 0.15 -0.35 -0.21 0.00 -0.22 0.00 0.00 54.13 53.49 2krt s LEU 84 Cb -0.11 -0.98 0.02 0.00 0.50 0.00 0.00 46.19 45.63 2krt s LEU 84 CO 0.04 0.16 0.67 -0.54 -1.32 0.00 0.00 176.35 175.37 2krt s LYS 85 N -0.00 3.33 -0.23 1.98 3.01 -0.04 -3.70 119.74 124.10 2krt s LYS 85 Ca -0.03 -0.29 -0.23 0.00 -1.01 0.00 0.00 55.97 54.42 2krt s LYS 85 Cb -0.11 -3.94 -0.01 0.00 -1.01 0.00 0.00 37.83 32.76 2krt s LYS 85 CO 0.02 -1.02 0.74 -0.51 0.51 0.00 0.00 175.35 175.09 2krt s LEU 86 N 2.92 4.10 -0.69 3.17 2.01 0.16 -1.22 118.68 129.13 2krt s LEU 86 Ca 0.24 0.93 -0.22 0.00 0.01 0.00 0.00 54.13 55.09 2krt s LEU 86 Cb -0.14 -3.05 0.07 0.00 0.01 0.00 0.00 46.19 43.09 2krt s LEU 86 CO 0.20 -0.42 1.00 -0.44 1.01 0.00 0.00 176.35 177.70 2krt s SER 87 N 1.33 6.22 -0.19 2.29 0.01 -0.72 -1.43 113.70 121.22 2krt s SER 87 Ca 0.32 -1.07 -0.10 0.00 1.31 0.00 0.00 55.95 56.41 2krt s SER 87 Cb -0.16 -2.43 -0.05 0.00 0.21 0.00 0.00 66.02 63.60 2krt s SER 87 CO 0.09 -1.43 0.15 -0.76 0.41 0.00 0.00 173.24 171.70 2krt s LEU 88 N 4.03 4.24 -0.47 2.44 1.02 -0.78 -0.47 118.68 128.68 2krt s LEU 88 Ca 0.24 0.28 -0.14 0.00 0.02 0.00 0.00 54.13 54.53 2krt s LEU 88 Cb -0.15 -2.11 0.08 0.00 0.02 0.00 0.00 46.19 44.03 2krt s LEU 88 CO 0.08 0.20 0.38 0.00 0.02 0.00 0.00 176.35 177.03 2krt s MET 89 N 0.20 2.89 -0.12 1.70 0.23 0.48 -0.99 119.30 123.69 2krt s MET 89 Ca 0.10 -1.42 -0.22 0.00 -1.03 0.00 0.00 55.69 53.11 2krt s MET 89 Cb -0.11 -4.07 -0.03 0.00 -1.53 0.00 0.00 34.83 29.08 2krt s MET 89 CO -0.01 -1.05 0.65 -0.51 -2.03 0.00 0.00 175.02 172.07 2krt s LEU 90 N 1.58 4.25 -0.54 0.18 2.01 0.16 -2.98 118.68 123.35 2krt s LEU 90 Ca 0.04 1.03 -0.15 0.00 0.01 0.00 0.00 54.13 55.06 2krt s LEU 90 Cb -0.25 -2.97 0.13 0.00 0.01 0.00 0.00 46.19 43.11 2krt s LEU 90 CO 0.05 -0.16 0.49 -0.89 1.01 0.00 0.00 176.35 176.86 2krt s THR 91 N 1.15 5.09 -0.80 5.49 2.01 -0.02 0.34 115.64 128.90 2krt s THR 91 Ca 0.33 -1.59 -0.26 0.00 0.31 0.00 0.00 61.69 60.49 2krt s THR 91 Cb -0.17 -4.27 -0.10 0.00 0.01 0.00 0.00 72.50 67.98 2krt s THR 91 CO 0.14 -0.86 2.24 -1.81 -0.69 0.00 0.00 174.62 173.63 2krt s ASP 92 N 3.40 4.39 0.48 3.53 1.11 0.59 -1.41 116.67 128.76 2krt s ASP 92 Ca 0.04 -0.09 0.20 0.00 0.18 0.00 0.00 52.55 52.88 2krt s ASP 92 Cb -0.29 -2.55 1.21 0.00 1.07 0.00 0.00 42.92 42.37 2krt s ASP 92 CO 0.02 -3.38 1.97 0.11 1.18 0.00 0.00 175.17 175.08 2krt h LYS 93 N 12.88 0.21 -0.94 8.23 1.79 -0.26 1.17 116.57 139.66 2krt h LYS 93 Ca 0.00 -0.01 0.19 0.00 -2.18 0.00 0.00 60.65 58.65 2krt h LYS 93 Cb 1.03 -0.05 -0.11 0.00 -1.58 0.00 0.00 32.23 31.52 2krt h LYS 93 CO 1.09 0.14 0.51 1.57 -1.08 0.00 0.00 179.45 181.68 2krt h LYS 94 N 0.21 0.60 -0.01 3.15 2.10 -1.87 -2.82 116.57 117.94 2krt h LYS 94 Ca 0.29 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.90 2krt h LYS 94 Cb 0.84 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 32.03 2krt h LYS 94 CO -0.05 0.40 -0.04 0.09 -2.00 0.00 0.00 179.45 177.84 2krt n ASN 95 N -4.88 1.23 -1.78 7.07 5.03 0.07 -4.99 115.26 117.02 2krt n ASN 95 Ca 0.22 -1.11 -0.20 0.00 0.87 0.00 0.00 54.58 54.36 2krt n ASN 95 Cb 0.58 0.18 -0.07 0.00 -1.02 0.00 0.00 39.78 39.46 2krt n ASN 95 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2krt n ASN 96 N 0.05 -5.31 -4.99 6.41 4.05 0.38 -4.98 115.26 110.87 2krt n ASN 96 Ca 0.03 0.37 -0.19 0.00 0.45 0.00 0.00 54.58 55.24 2krt n ASN 96 Cb 0.12 -4.64 0.00 0.00 1.23 0.00 0.00 39.78 36.50 2krt n ASN 96 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 2krt s GLN 97 N -4.01 2.98 -0.22 1.20 -1.52 -1.07 -4.89 119.66 112.14 2krt s GLN 97 Ca 0.00 -1.03 0.00 0.00 -1.95 0.00 0.00 55.36 52.39 2krt s GLN 97 Cb 0.00 -2.76 0.03 0.00 -0.22 0.00 0.00 33.01 30.06 2krt s GLN 97 CO 0.00 -0.12 -0.14 0.54 -0.25 0.00 0.00 175.29 175.32 2krt s VAL 98 N -2.30 2.38 0.04 1.09 0.11 -1.26 -0.30 120.40 120.16 2krt s VAL 98 Ca 0.49 -1.07 -0.00 0.00 -2.93 0.00 0.00 61.98 58.47 2krt s VAL 98 Cb -0.10 -2.14 -0.04 0.00 -1.53 0.00 0.00 36.38 32.57 2krt s VAL 98 CO 0.33 0.33 0.17 -0.47 -3.33 0.00 0.00 175.10 172.13 2krt s TYR 99 N 1.27 3.45 -0.20 1.54 5.04 0.15 -4.92 117.35 123.69 2krt s TYR 99 Ca 0.01 0.25 -0.04 0.00 -2.44 0.00 0.00 57.07 54.85 2krt s TYR 99 Cb -0.15 -1.75 -0.02 0.00 0.35 0.00 0.00 41.96 40.39 2krt s TYR 99 CO -0.09 0.59 -0.04 0.71 -1.34 0.00 0.00 175.55 175.39 2krt s TYR 100 N -1.42 2.97 -0.12 4.97 2.02 -1.26 0.39 117.35 124.90 2krt s TYR 100 Ca 0.31 -0.68 0.00 0.00 -0.37 0.00 0.00 57.07 56.33 2krt s TYR 100 Cb -0.13 -2.05 0.02 0.00 -0.40 0.00 0.00 41.96 39.41 2krt s TYR 100 CO 0.24 -0.35 -0.10 0.21 -1.57 0.00 0.00 175.55 173.97 2krt s LYS 101 N 1.07 1.83 0.00 -0.62 2.47 -0.16 -5.00 119.74 119.34 2krt s LYS 101 Ca 0.01 -0.38 -0.25 0.00 -1.56 0.00 0.00 55.97 53.80 2krt s LYS 101 Cb -0.15 -1.77 -0.05 0.00 -1.46 0.00 0.00 37.83 34.41 2krt s LYS 101 CO 0.00 -0.23 0.76 -0.51 0.16 0.00 0.00 175.35 175.53 2krt s LEU 102 N 1.55 4.40 0.12 5.43 1.43 -1.26 -1.87 118.68 128.48 2krt s LEU 102 Ca 0.03 1.38 0.10 0.00 -1.03 0.00 0.00 54.13 54.62 2krt s LEU 102 Cb -0.13 -3.21 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 2krt s LEU 102 CO -0.08 -0.05 -0.25 -0.76 0.23 0.00 0.00 176.35 175.43 2krt s LEU 103 N 0.32 2.32 -0.11 1.79 1.43 -0.51 -4.95 118.68 118.96 2krt s LEU 103 Ca 0.39 -0.74 -0.05 0.00 -1.03 0.00 0.00 54.13 52.71 2krt s LEU 103 Cb -0.20 -1.13 0.05 0.00 0.03 0.00 0.00 46.19 44.94 2krt s LEU 103 CO 0.22 0.15 0.24 -1.83 0.23 0.00 0.00 176.35 175.36 2krt s GLU 104 N -2.03 0.18 0.08 1.70 -1.05 -1.26 0.37 118.70 116.69 2krt s GLU 104 Ca 0.12 0.58 0.04 0.00 -0.15 0.00 0.00 54.97 55.56 2krt s GLU 104 Cb -0.10 -0.11 -0.03 0.00 -0.44 0.00 0.00 34.13 33.45 2krt s GLU 104 CO 0.06 -0.20 -0.12 0.14 0.95 0.00 0.00 175.26 176.09 2krt s VAL 105 N 1.58 0.97 -0.18 1.83 -7.23 -1.24 -4.95 120.40 111.18 2krt s VAL 105 Ca -0.06 -1.41 -0.12 0.00 -1.81 0.00 0.00 61.98 58.58 2krt s VAL 105 Cb -0.11 -1.12 -0.05 0.00 0.56 0.00 0.00 36.38 35.67 2krt s VAL 105 CO -0.08 -0.38 0.24 -0.44 -0.31 0.00 0.00 175.10 174.13 2krt s SER 106 N -2.00 6.34 0.00 4.85 0.01 -1.25 -3.26 113.70 118.39 2krt s SER 106 Ca -0.00 0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.65 2krt s SER 106 Cb -0.07 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 64.01 2krt s SER 106 CO 0.01 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.39 2krt n GLY 107 N 3.52 1.16 0.17 3.44 0.00 -0.43 -4.99 105.19 108.07 2krt n GLY 107 Ca -0.13 -0.08 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.28 -0.94 1.61 0.04 -1.77 -3.41 116.94 112.19 2krt h PHE 108 Ca 0.00 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.77 2krt h PHE 108 Cb 0.00 0.17 -0.19 0.00 2.20 0.00 0.00 35.95 38.13 2krt h PHE 108 CO 0.00 -0.18 -0.41 0.21 -0.60 0.00 0.00 178.31 177.32 2krt s LYS 109 N -6.18 0.74 -0.47 1.51 2.47 -1.26 -4.15 119.74 112.39 2krt s LYS 109 Ca -0.14 -0.14 -0.07 0.00 -1.56 0.00 0.00 55.97 54.06 2krt s LYS 109 Cb 0.12 0.11 0.12 0.00 -1.46 0.00 0.00 37.83 36.73 2krt s LYS 109 CO 0.69 -1.10 0.31 -1.54 0.16 0.00 0.00 175.35 173.88 2krt s SER 110 N 1.99 5.55 -0.40 1.43 1.04 -1.26 -3.22 113.70 118.82 2krt s SER 110 Ca 0.15 -2.04 0.06 0.00 0.48 0.00 0.00 55.95 54.60 2krt s SER 110 Cb -0.04 -1.94 0.21 0.00 0.10 0.00 0.00 66.02 64.34 2krt s SER 110 CO -0.10 -0.62 0.44 0.59 0.98 0.00 0.00 173.24 174.53 2krt n ASN 111 N 4.68 -0.27 0.00 7.02 4.13 0.15 -4.94 115.26 126.03 2krt n ASN 111 Ca -0.04 -2.54 0.00 0.00 1.68 0.00 0.00 54.58 53.68 2krt n ASN 111 Cb 0.41 -0.52 0.00 0.00 -1.54 0.00 0.00 39.78 38.13 2krt n ASN 111 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 2krt n PRO 112 N 2.16 0.00 0.19 3.52 -0.02 -1.23 -1.47 135.00 138.16 2krt n PRO 112 Ca 0.25 0.24 0.07 0.00 -2.02 0.00 0.00 63.50 62.05 2krt n PRO 112 Cb 0.51 -1.20 0.29 0.00 -0.02 0.00 0.00 33.50 33.08 2krt n PRO 112 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 2krt h TYR 113 N 0.00 0.00 -0.03 6.00 -0.00 -1.94 -3.16 116.97 117.84 2krt h TYR 113 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 58.66 2krt h TYR 113 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.72 2krt h TYR 113 CO 0.05 0.31 -0.33 -0.07 -0.00 0.00 0.00 178.16 178.12 2krt h LEU 114 N 0.00 0.05 -0.23 0.10 3.38 -1.97 -1.94 115.31 114.70 2krt h LEU 114 Ca -0.00 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2krt h LEU 114 Cb 0.97 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 2krt h LEU 114 CO 0.04 0.38 0.13 -0.08 0.09 0.00 0.00 178.44 179.00 2krt h GLU 115 N 0.05 0.26 -1.99 1.13 4.57 -1.22 -3.03 114.58 114.35 2krt h GLU 115 Ca 0.00 -0.02 -0.34 0.00 -1.18 0.00 0.00 59.36 57.82 2krt h GLU 115 Cb 0.61 -0.06 -0.12 0.00 -0.16 0.00 0.00 28.75 29.02 2krt h GLU 115 CO 0.04 0.17 0.02 0.72 -1.18 0.00 0.00 179.01 178.79 2krt n HIS 116 N -4.97 0.82 -2.69 0.92 8.25 -0.73 -4.86 115.22 111.96 2krt n HIS 116 Ca -0.02 -1.72 -0.42 0.00 -0.26 0.00 0.00 57.72 55.29 2krt n HIS 116 Cb 0.05 -1.46 -0.02 0.00 1.12 0.00 0.00 29.99 29.67 2krt n HIS 116 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2krt s HIS 117 N -0.42 2.78 -0.19 4.41 -3.43 -1.15 -4.77 115.29 112.53 2krt s HIS 117 Ca 0.61 -1.15 0.13 0.00 -0.80 0.00 0.00 55.06 53.85 2krt s HIS 117 Cb 0.35 -4.56 0.38 0.00 -1.43 0.00 0.00 32.58 27.32 2krt s HIS 117 CO -0.11 -1.76 1.20 1.58 -2.00 0.00 0.00 174.74 173.64 2krt n HIS 118 N 7.97 0.00 0.27 0.38 -0.00 -1.26 -4.67 115.22 117.91 2krt n HIS 118 Ca 0.32 -1.36 0.13 0.00 0.46 0.00 0.00 57.72 57.28 2krt n HIS 118 Cb 0.49 -0.22 0.75 0.00 -0.12 0.00 0.00 29.99 30.89 2krt n HIS 118 CO 0.00 0.00 0.00 1.12 0.46 0.00 0.00 176.34 177.92 2krt h HIS 119 N 0.72 0.00 -2.65 1.57 2.07 -2.01 -3.44 115.15 111.41 2krt h HIS 119 Ca -0.00 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.43 2krt h HIS 119 Cb 1.00 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.96 2krt h HIS 119 CO 0.54 0.11 -0.04 0.72 -3.07 0.00 0.00 177.93 176.19 2krt n HIS 120 N -3.63 -0.82 1.83 6.12 8.25 -1.26 -5.35 115.22 120.36 2krt n HIS 120 Ca -0.02 -0.77 0.15 0.00 -0.26 0.00 0.00 57.72 56.82 2krt n HIS 120 Cb 0.22 0.19 0.81 0.00 1.12 0.00 0.00 29.99 32.33 2krt n HIS 120 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56