#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 0.76 -4.77 4.03 7.99 -1.26 -4.91 117.00 118.84 2krt n LEU 2 Ca 0.00 -0.16 -0.39 0.00 -0.01 0.00 0.00 56.01 55.45 2krt n LEU 2 Cb 0.00 -0.17 -0.06 0.00 -0.11 0.00 0.00 43.42 43.07 2krt n LEU 2 CO 0.00 0.17 0.57 -0.94 -1.51 0.00 0.00 177.39 175.68 2krt s SER 3 N -2.87 7.45 -0.38 -1.43 1.04 -1.26 -5.05 113.70 111.20 2krt s SER 3 Ca 0.14 1.78 0.01 0.00 0.48 0.00 0.00 55.95 58.35 2krt s SER 3 Cb 0.18 -2.55 0.12 0.00 0.10 0.00 0.00 66.02 63.87 2krt s SER 3 CO 0.68 0.12 0.16 0.00 0.98 0.00 0.00 173.24 175.18 2krt s GLN 4 N -1.43 1.06 -0.01 4.02 -2.07 -1.26 -5.10 119.66 114.87 2krt s GLN 4 Ca 0.41 -1.60 0.03 0.00 -1.82 0.00 0.00 55.36 52.38 2krt s GLN 4 Cb -0.23 -2.25 -0.01 0.00 -1.09 0.00 0.00 33.01 29.43 2krt s GLN 4 CO 0.27 -1.07 -0.11 0.00 -1.32 0.00 0.00 175.29 173.07 2krt s ALA 5 N 0.93 0.88 0.54 2.60 0.00 -1.26 -5.03 121.76 120.41 2krt s ALA 5 Ca 0.14 -0.47 0.26 0.00 0.00 0.00 0.00 51.96 51.88 2krt s ALA 5 Cb -0.21 -0.22 1.41 0.00 0.00 0.00 0.00 23.12 24.10 2krt s ALA 5 CO -0.11 0.21 1.99 -0.91 0.00 0.00 0.00 175.76 176.95 2krt h ASN 6 N 5.83 0.00 -0.23 0.00 2.35 -1.99 0.11 115.58 121.64 2krt h ASN 6 Ca -0.32 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.47 2krt h ASN 6 Cb 1.17 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.53 2krt h ASN 6 CO 0.49 0.00 0.16 1.05 -1.65 0.00 0.00 177.43 177.48 2krt h GLU 7 N 0.00 0.14 0.15 0.81 4.11 -2.00 -0.96 114.58 116.82 2krt h GLU 7 Ca 0.25 -0.01 -0.21 0.00 0.07 0.00 0.00 59.36 59.46 2krt h GLU 7 Cb 1.01 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 30.25 2krt h GLU 7 CO -0.00 0.09 -0.90 0.22 0.07 0.00 0.00 179.01 178.49 2krt h ASP 8 N 0.14 0.53 -0.46 3.06 1.82 -1.22 -3.28 116.42 117.01 2krt h ASP 8 Ca 0.10 -0.94 0.04 0.00 -0.39 0.00 0.00 57.03 55.84 2krt h ASP 8 Cb 0.22 -0.17 -0.04 0.00 0.68 0.00 0.00 39.33 40.02 2krt h ASP 8 CO -0.01 1.43 0.24 -0.26 -1.61 0.00 0.00 179.24 179.02 2krt h PHE 9 N -0.28 0.44 -0.70 0.28 0.04 -1.21 -0.54 116.94 114.97 2krt h PHE 9 Ca -0.15 0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.70 2krt h PHE 9 Cb 1.70 -0.13 -0.04 0.00 2.20 0.00 0.00 35.95 39.68 2krt h PHE 9 CO 0.19 0.23 0.46 1.57 -0.60 0.00 0.00 178.31 180.15 2krt h LYS 10 N 0.47 0.70 -0.41 1.51 2.10 -1.35 -0.31 116.57 119.29 2krt h LYS 10 Ca 0.20 -0.04 -0.05 0.00 -2.00 0.00 0.00 60.65 58.76 2krt h LYS 10 Cb 0.09 -0.16 -0.02 0.00 -0.90 0.00 0.00 32.23 31.25 2krt h LYS 10 CO -0.13 0.46 0.07 -0.22 -2.00 0.00 0.00 179.45 177.63 2krt h LYS 11 N 0.72 0.68 -0.72 0.07 3.11 -1.35 -2.05 116.57 117.02 2krt h LYS 11 Ca 0.30 -0.18 0.05 0.00 -2.81 0.00 0.00 60.65 58.01 2krt h LYS 11 Cb 0.27 -0.08 -0.05 0.00 -1.00 0.00 0.00 32.23 31.36 2krt h LYS 11 CO -0.10 0.71 0.43 0.82 -2.81 0.00 0.00 179.45 178.51 2krt h ILE 12 N 0.53 1.03 -0.56 2.00 2.04 0.42 1.12 117.51 124.09 2krt h ILE 12 Ca 0.13 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 2krt h ILE 12 Cb 0.36 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 2krt h ILE 12 CO 0.01 0.15 0.20 0.58 0.00 0.00 0.00 178.15 179.09 2krt h VAL 13 N 0.81 1.23 -0.00 1.67 2.07 -1.07 -2.38 116.25 118.59 2krt h VAL 13 Ca 0.31 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2krt h VAL 13 Cb 0.12 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2krt h VAL 13 CO -0.15 0.28 -0.11 0.59 0.02 0.00 0.00 177.57 178.20 2krt n ASN 14 N -4.47 0.12 0.19 0.57 3.02 -0.78 -3.37 115.26 110.54 2krt n ASN 14 Ca 0.03 0.30 0.13 0.00 -0.03 0.00 0.00 54.58 55.01 2krt n ASN 14 Cb 0.18 -0.32 0.28 0.00 -0.61 0.00 0.00 39.78 39.31 2krt n ASN 14 CO 0.00 0.00 0.00 -1.13 -2.62 0.00 0.00 177.26 173.51 2krt h ASN 15 N 0.01 0.00 -1.03 6.41 -0.00 0.18 -3.46 115.58 117.70 2krt h ASN 15 Ca 0.00 0.00 -0.70 0.00 -0.00 0.00 0.00 56.30 55.60 2krt h ASN 15 Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.80 2krt h ASN 15 CO 0.00 0.00 1.30 -0.38 -0.00 0.00 0.00 177.43 178.35 2krt n ILE 16 N -2.86 0.19 -4.86 2.57 5.41 -1.10 -4.81 119.36 113.91 2krt n ILE 16 Ca 0.04 -0.17 -0.25 0.00 1.00 0.00 0.00 62.75 63.36 2krt n ILE 16 Cb 0.48 -1.39 -0.16 0.00 -0.71 0.00 0.00 39.64 37.86 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 5.62 1.58 0.00 0.38 6.06 -1.26 -4.98 118.95 126.35 2krt s ARG 17 Ca 1.09 -0.63 0.00 0.00 -2.50 0.00 0.00 55.73 53.69 2krt s ARG 17 Cb -1.00 -1.46 0.00 0.00 0.06 0.00 0.00 34.95 32.55 2krt s ARG 17 CO 0.55 0.34 0.57 1.47 -2.50 0.00 0.00 175.30 175.73 2krt n LEU 18 N 2.82 1.65 0.00 -0.88 -0.00 -1.26 -0.88 117.00 118.45 2krt n LEU 18 Ca -0.16 -0.83 0.00 0.00 -0.00 0.00 0.00 56.01 55.02 2krt n LEU 18 Cb 0.53 -0.31 0.00 0.00 -0.00 0.00 0.00 43.42 43.64 2krt n LEU 18 CO 0.24 0.29 0.00 1.17 -0.00 0.00 0.00 177.39 179.09 2krt n LYS 19 N 0.59 0.00 0.07 1.47 4.81 -1.22 -4.52 118.16 119.36 2krt n LYS 19 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.52 2krt n LYS 19 Cb 0.29 -0.16 -0.04 0.00 0.02 0.00 0.00 35.03 35.13 2krt n LYS 19 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2krt n ASP 20 N -1.95 0.76 -0.09 3.14 2.03 -1.18 -4.58 116.55 114.67 2krt n ASP 20 Ca 0.00 0.30 -0.16 0.00 0.52 0.00 0.00 54.79 55.46 2krt n ASP 20 Cb 0.00 0.52 -0.08 0.00 -0.72 0.00 0.00 41.12 40.84 2krt n ASP 20 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2krt n THR 21 N -2.70 1.06 -3.69 5.18 -1.04 -0.05 -4.77 114.28 108.26 2krt n THR 21 Ca -0.04 -0.36 -0.12 0.00 -2.04 0.00 0.00 64.05 61.50 2krt n THR 21 Cb 0.65 -1.36 -0.09 0.00 -1.82 0.00 0.00 70.33 67.70 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 -2.36 -0.65 -0.75 -1.42 -0.71 -1.03 -0.38 117.98 110.68 2krt s PHE 22 Ca -0.26 1.48 -0.20 0.00 -1.04 0.00 0.00 56.93 56.91 2krt s PHE 22 Cb 0.08 0.28 0.11 0.00 -1.21 0.00 0.00 43.02 42.27 2krt s PHE 22 CO 0.40 -0.33 0.96 -0.51 -1.34 0.00 0.00 175.22 174.39 2krt s ASP 23 N 0.79 6.36 0.37 1.98 1.11 0.21 -3.41 116.67 124.08 2krt s ASP 23 Ca -0.04 -1.54 -0.07 0.00 0.18 0.00 0.00 52.55 51.08 2krt s ASP 23 Cb -0.05 -2.38 -0.06 0.00 1.07 0.00 0.00 42.92 41.50 2krt s ASP 23 CO -0.06 -1.20 0.68 0.72 1.18 0.00 0.00 175.17 176.49 2krt s PHE 24 N 3.12 3.48 -0.03 4.23 -0.71 -1.26 -2.21 117.98 124.61 2krt s PHE 24 Ca 0.23 0.85 -0.01 0.00 -1.04 0.00 0.00 56.93 56.96 2krt s PHE 24 Cb -0.14 -2.28 0.02 0.00 -1.21 0.00 0.00 43.02 39.41 2krt s PHE 24 CO 0.01 -0.01 0.06 0.21 -1.34 0.00 0.00 175.22 174.16 2krt s LYS 25 N -3.83 0.03 -0.13 1.99 2.20 -0.09 -4.92 119.74 114.99 2krt s LYS 25 Ca 0.48 0.17 -0.17 0.00 -0.36 0.00 0.00 55.97 56.08 2krt s LYS 25 Cb -0.10 -0.10 -0.04 0.00 -1.51 0.00 0.00 37.83 36.07 2krt s LYS 25 CO 0.32 -0.09 0.45 -0.51 -0.36 0.00 0.00 175.35 175.16 2krt s LEU 26 N 0.60 4.26 0.55 5.43 2.01 -1.26 -0.43 118.68 129.84 2krt s LEU 26 Ca -0.05 0.75 0.25 0.00 0.01 0.00 0.00 54.13 55.09 2krt s LEU 26 Cb -0.07 -2.64 1.48 0.00 0.01 0.00 0.00 46.19 44.97 2krt s LEU 26 CO -0.02 -0.00 2.05 0.00 1.01 0.00 0.00 176.35 179.39 2krt h ALA 27 N 6.80 2.15 0.00 4.21 0.00 -1.32 0.11 119.26 131.21 2krt h ALA 27 Ca -0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2krt h ALA 27 Cb 1.17 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2krt h ALA 27 CO 0.75 -0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.57 2krt h ALA 28 N 1.77 1.00 -2.03 0.00 0.00 -1.89 -3.37 119.26 114.73 2krt h ALA 28 Ca 0.15 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.50 2krt h ALA 28 Cb 0.68 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 18.08 2krt h ALA 28 CO -0.00 0.00 -1.09 1.19 0.00 0.00 0.00 179.25 179.35 2krt n PHE 29 N -2.41 -0.45 0.30 0.00 3.72 0.37 -4.98 117.46 114.02 2krt n PHE 29 Ca 0.05 -3.52 0.12 0.00 -0.05 0.00 0.00 57.45 54.05 2krt n PHE 29 Cb 0.44 -0.27 0.24 0.00 -0.94 0.00 0.00 39.48 38.94 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 4.18 0.00 0.00 -1.08 0.13 -1.69 -3.33 132.00 130.20 2krt h PRO 30 Ca 0.09 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.11 2krt h PRO 30 Cb 0.88 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.99 2krt h PRO 30 CO 0.45 0.00 -2.01 0.09 -0.23 0.00 0.00 178.00 176.30 2krt n ASN 31 N -2.93 0.55 -4.72 1.44 3.02 -1.26 -5.00 115.26 106.35 2krt n ASN 31 Ca 0.04 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.36 2krt n ASN 31 Cb 0.50 1.57 0.10 0.00 -0.61 0.00 0.00 39.78 41.34 2krt n ASN 31 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2krt s GLN 32 N -3.04 1.76 0.15 3.52 -1.52 -1.25 -5.13 119.66 114.15 2krt s GLN 32 Ca -0.08 -1.20 0.09 0.00 -1.95 0.00 0.00 55.36 52.22 2krt s GLN 32 Cb 0.10 -2.38 -0.04 0.00 -0.22 0.00 0.00 33.01 30.47 2krt s GLN 32 CO 0.79 -1.37 -0.20 -0.80 -0.25 0.00 0.00 175.29 173.46 2krt s ASN 33 N -4.73 2.77 0.62 5.90 0.01 -1.26 -4.98 114.94 113.27 2krt s ASN 33 Ca 0.66 -0.82 0.35 0.00 -0.71 0.00 0.00 52.86 52.34 2krt s ASN 33 Cb -0.05 -0.17 2.02 0.00 0.41 0.00 0.00 41.25 43.46 2krt s ASN 33 CO 0.44 0.01 2.26 0.10 -1.51 0.00 0.00 177.10 178.40 2krt h TYR 34 N 3.44 0.00 0.00 2.20 -0.00 -1.93 -0.65 116.97 120.03 2krt h TYR 34 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.29 2krt h TYR 34 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.93 2krt h TYR 34 CO 0.67 0.00 0.00 -0.25 -0.00 0.00 0.00 178.16 178.58 2krt n ASP 35 N -3.51 0.00 0.00 0.10 9.92 -1.26 -3.66 116.55 118.14 2krt n ASP 35 Ca -0.02 -0.56 0.00 0.00 -0.53 0.00 0.00 54.79 53.68 2krt n ASP 35 Cb 0.13 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.61 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 -0.95 0.00 -1.34 -1.24 6.02 -0.28 -4.77 117.38 114.83 2krt n GLN 36 Ca 0.11 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.80 2krt n GLN 36 Cb 0.05 -0.57 0.13 0.00 1.02 0.00 0.00 30.24 30.86 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 -5.20 2.24 0.13 1.08 2.01 -1.07 -4.81 118.68 113.06 2krt s LEU 37 Ca 0.00 1.33 -0.11 0.00 0.01 0.00 0.00 54.13 55.37 2krt s LEU 37 Cb 0.00 -3.77 -0.06 0.00 0.01 0.00 0.00 46.19 42.37 2krt s LEU 37 CO 0.00 -2.50 0.47 -0.76 1.01 0.00 0.00 176.35 174.57 2krt s LEU 38 N -6.10 4.31 0.48 1.79 2.01 -1.26 -4.34 118.68 115.58 2krt s LEU 38 Ca 0.63 0.88 0.18 0.00 0.01 0.00 0.00 54.13 55.84 2krt s LEU 38 Cb -0.17 -3.22 1.20 0.00 0.01 0.00 0.00 46.19 44.01 2krt s LEU 38 CO 0.56 0.10 2.02 1.55 1.01 0.00 0.00 176.35 181.58 2krt h PRO 39 N 3.39 0.19 -0.74 1.29 0.13 -1.95 -1.93 132.00 132.38 2krt h PRO 39 Ca -0.48 -0.01 0.04 0.00 -0.87 0.00 0.00 66.00 64.68 2krt h PRO 39 Cb 1.19 -0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.22 2krt h PRO 39 CO 0.67 0.13 0.46 0.77 -0.23 0.00 0.00 178.00 179.80 2krt h SER 40 N 0.20 0.73 -0.04 1.44 0.02 -1.95 -1.42 113.55 112.54 2krt h SER 40 Ca 0.22 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.14 2krt h SER 40 Cb 0.61 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.00 2krt h SER 40 CO -0.04 0.49 -0.13 1.56 -1.14 0.00 0.00 176.83 177.57 2krt h GLN 41 N 0.87 0.16 -0.90 3.45 1.08 -1.77 -3.25 115.11 114.76 2krt h GLN 41 Ca 0.31 -0.12 0.08 0.00 -1.45 0.00 0.00 58.65 57.48 2krt h GLN 41 Cb 0.08 0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.47 2krt h GLN 41 CO -0.14 0.75 0.58 0.82 -0.95 0.00 0.00 178.83 179.90 2krt h ILE 42 N -0.40 1.00 -0.54 2.54 2.04 -1.42 0.03 117.51 120.76 2krt h ILE 42 Ca -0.01 -0.32 0.13 0.00 1.00 0.00 0.00 64.86 65.66 2krt h ILE 42 Cb 0.77 -0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 2krt h ILE 42 CO 0.03 0.17 0.38 0.22 0.00 0.00 0.00 178.15 178.95 2krt h TYR 43 N 0.94 0.16 -0.00 1.37 3.20 -1.29 -2.00 116.97 119.36 2krt h TYR 43 Ca 0.41 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.28 2krt h TYR 43 Cb 0.33 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.55 2krt h TYR 43 CO -0.00 0.07 -0.34 1.63 -1.64 0.00 0.00 178.16 177.88 2krt n LYS 44 N -4.42 0.42 0.00 1.82 5.02 -0.01 -4.02 118.16 116.95 2krt n LYS 44 Ca 0.10 -0.23 0.14 0.00 -2.02 0.00 0.00 58.31 56.30 2krt n LYS 44 Cb 0.51 -1.50 0.55 0.00 -0.02 0.00 0.00 35.03 34.58 2krt n LYS 44 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2krt n ASN 45 N -1.09 0.97 -0.14 4.39 5.03 -0.75 -4.41 115.26 119.26 2krt n ASN 45 Ca 0.09 -1.07 -0.05 0.00 0.87 0.00 0.00 54.58 54.43 2krt n ASN 45 Cb 0.34 0.02 0.02 0.00 -1.02 0.00 0.00 39.78 39.13 2krt n ASN 45 CO 0.00 0.00 0.00 0.10 -1.83 0.00 0.00 177.26 175.53 2krt h TYR 46 N 1.37 -0.56 0.00 3.10 -0.00 -1.72 -1.76 116.97 117.41 2krt h TYR 46 Ca 0.00 0.05 -0.11 0.00 -0.00 0.00 0.00 58.73 58.67 2krt h TYR 46 Cb 0.41 0.32 -0.02 0.00 -0.00 0.00 0.00 36.73 37.44 2krt h TYR 46 CO 0.00 -0.30 -0.53 -0.92 -0.00 0.00 0.00 178.16 176.41 2krt h TYR 47 N -0.13 0.00 -0.12 0.10 3.20 -1.92 -3.24 116.97 114.87 2krt h TYR 47 Ca 0.21 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.99 2krt h TYR 47 Cb 0.46 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 2krt h TYR 47 CO -0.48 0.53 -0.35 1.96 -1.64 0.00 0.00 178.16 178.18 2krt h GLN 48 N 0.00 0.25 0.00 1.82 1.08 -1.59 -3.47 115.11 113.19 2krt h GLN 48 Ca -0.01 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 2krt h GLN 48 Cb 1.23 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.65 2krt h GLN 48 CO 0.07 0.57 0.00 0.41 -0.95 0.00 0.00 178.83 178.93 2krt n GLY 49 N -0.33 3.18 3.57 3.46 0.00 -0.97 -4.73 105.19 109.38 2krt n GLY 49 Ca -0.01 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 2krt n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2krt s ILE 50 N 0.00 5.14 -0.17 -0.61 1.01 -1.26 -0.93 121.20 124.38 2krt s ILE 50 Ca 0.00 0.11 -0.11 0.00 0.00 0.00 0.00 60.65 60.65 2krt s ILE 50 Cb 0.00 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 2krt s ILE 50 CO 0.00 0.27 0.20 -1.61 0.00 0.00 0.00 174.94 173.81 2krt s GLU 51 N 1.67 4.14 -0.40 2.79 0.41 0.43 -4.95 118.70 122.78 2krt s GLU 51 Ca 0.07 -0.07 0.01 0.00 -0.41 0.00 0.00 54.97 54.57 2krt s GLU 51 Cb -0.16 -3.40 0.11 0.00 -1.78 0.00 0.00 34.13 28.91 2krt s GLU 51 CO 0.09 0.33 0.16 0.42 -0.49 0.00 0.00 175.26 175.77 2krt s ILE 52 N 0.23 2.80 -0.93 -1.63 -1.09 -1.26 -0.92 121.20 118.41 2krt s ILE 52 Ca 0.12 -2.37 -0.20 0.00 -2.23 0.00 0.00 60.65 55.97 2krt s ILE 52 Cb -0.12 -2.97 0.10 0.00 -1.58 0.00 0.00 42.46 37.89 2krt s ILE 52 CO 0.01 -0.67 1.20 -1.58 -1.23 0.00 0.00 174.94 172.67 2krt s GLN 53 N 0.81 3.55 0.27 2.79 2.00 -0.94 -4.97 119.66 123.17 2krt s GLN 53 Ca 0.11 -1.49 -0.30 0.00 -2.00 0.00 0.00 55.36 51.68 2krt s GLN 53 Cb -0.21 -4.97 -0.12 0.00 0.80 0.00 0.00 33.01 28.52 2krt s GLN 53 CO -0.05 -1.90 1.63 1.14 -0.50 0.00 0.00 175.29 175.61 2krt s GLN 54 N 3.47 4.12 -0.04 1.67 1.03 -1.26 -0.62 119.66 128.03 2krt s GLN 54 Ca 0.35 2.59 0.06 0.00 0.04 0.00 0.00 55.36 58.40 2krt s GLN 54 Cb -0.05 -3.03 0.08 0.00 0.03 0.00 0.00 33.01 30.04 2krt s GLN 54 CO -0.08 -0.67 0.94 1.58 -2.54 0.00 0.00 175.29 174.52 2krt n HIS 55 N 2.64 0.00 -3.98 9.60 -0.00 0.49 -4.88 115.22 119.09 2krt n HIS 55 Ca 0.10 -0.42 -0.02 0.00 0.46 0.00 0.00 57.72 57.84 2krt n HIS 55 Cb 0.37 -0.07 -0.01 0.00 -0.12 0.00 0.00 29.99 30.16 2krt n HIS 55 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2krt n LYS 56 N -0.55 0.05 -1.54 1.57 5.02 -1.11 -4.84 118.16 116.75 2krt n LYS 56 Ca 0.05 -0.36 -0.37 0.00 -2.02 0.00 0.00 58.31 55.61 2krt n LYS 56 Cb 0.52 0.30 -0.05 0.00 -0.02 0.00 0.00 35.03 35.78 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 -0.07 1.35 -0.63 2.13 4.02 -1.26 -4.76 117.16 117.94 2krt n TYR 57 Ca 0.01 0.14 0.06 0.00 -0.01 0.00 0.00 57.90 58.10 2krt n TYR 57 Cb 0.07 -2.61 0.08 0.00 -0.02 0.00 0.00 39.34 36.86 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 8.92 1.98 0.08 -0.72 1.13 -1.26 -4.57 117.38 122.93 2krt n GLN 58 Ca 0.40 -2.10 -0.15 0.00 -1.94 0.00 0.00 57.00 53.22 2krt n GLN 58 Cb 0.47 -1.27 -0.08 0.00 0.11 0.00 0.00 30.24 29.47 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 0.55 0.15 1.08 -0.00 -2.02 -3.36 115.58 111.98 2krt h ASN 59 Ca 0.00 -0.49 -0.21 0.00 -0.00 0.00 0.00 56.30 55.60 2krt h ASN 59 Cb 0.79 -0.17 0.02 0.00 -0.00 0.00 0.00 38.32 38.96 2krt h ASN 59 CO 0.00 1.31 -0.94 -0.08 -0.00 0.00 0.00 177.43 177.73 2krt h GLU 60 N 0.19 0.31 -4.59 6.67 4.57 -1.96 -3.44 114.58 116.34 2krt h GLU 60 Ca -0.11 -0.54 -0.26 0.00 -1.18 0.00 0.00 59.36 57.27 2krt h GLU 60 Cb 1.73 0.20 -0.20 0.00 -0.16 0.00 0.00 28.75 30.32 2krt h GLU 60 CO 0.18 1.26 -0.72 -0.48 -1.18 0.00 0.00 179.01 178.07 2krt s LEU 61 N -7.82 2.32 -0.12 1.64 2.34 -1.26 -1.18 118.68 114.60 2krt s LEU 61 Ca -0.14 -0.67 -0.03 0.00 0.06 0.00 0.00 54.13 53.35 2krt s LEU 61 Cb 0.01 -0.14 -0.03 0.00 -0.56 0.00 0.00 46.19 45.47 2krt s LEU 61 CO 0.83 -0.27 -0.02 -0.62 -1.06 0.00 0.00 176.35 175.21 2krt s ASP 62 N -1.96 5.01 -0.19 1.48 2.15 0.20 -4.37 116.67 118.97 2krt s ASP 62 Ca -0.04 -0.00 -0.05 0.00 0.43 0.00 0.00 52.55 52.89 2krt s ASP 62 Cb -0.06 -1.62 -0.02 0.00 -0.30 0.00 0.00 42.92 40.92 2krt s ASP 62 CO -0.01 0.26 -0.01 -0.63 -0.17 0.00 0.00 175.17 174.61 2krt s ILE 63 N -0.20 3.85 -0.02 4.11 1.01 -1.26 -1.54 121.20 127.15 2krt s ILE 63 Ca 0.04 -0.35 -0.06 0.00 0.00 0.00 0.00 60.65 60.28 2krt s ILE 63 Cb -0.13 -2.73 0.00 0.00 0.01 0.00 0.00 42.46 39.62 2krt s ILE 63 CO 0.02 0.44 0.13 -0.54 0.00 0.00 0.00 174.94 174.99 2krt s LYS 64 N 0.95 0.36 -0.17 2.79 1.02 -1.24 -4.99 119.74 118.46 2krt s LYS 64 Ca 0.01 -0.20 -0.21 0.00 0.02 0.00 0.00 55.97 55.59 2krt s LYS 64 Cb -0.14 0.15 -0.03 0.00 -0.52 0.00 0.00 37.83 37.29 2krt s LYS 64 CO 0.02 -0.08 0.62 0.42 -0.92 0.00 0.00 175.35 175.41 2krt s ILE 65 N -0.87 5.05 0.00 2.17 1.01 -1.26 -0.92 121.20 126.37 2krt s ILE 65 Ca -0.10 1.19 0.00 0.00 0.00 0.00 0.00 60.65 61.74 2krt s ILE 65 Cb -0.05 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.47 2krt s ILE 65 CO 0.01 0.16 0.00 -0.38 0.00 0.00 0.00 174.94 174.73 2krt n ILE 66 N 4.44 0.00 -4.29 2.92 5.41 0.66 -4.95 119.36 123.55 2krt n ILE 66 Ca -0.02 0.41 -0.17 0.00 1.00 0.00 0.00 62.75 63.97 2krt n ILE 66 Cb 0.50 -1.25 -0.09 0.00 -0.71 0.00 0.00 39.64 38.08 2krt n ILE 66 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 2krt s ASN 67 N -2.76 1.17 -0.03 4.38 0.02 -1.26 -5.04 114.94 111.42 2krt s ASN 67 Ca 0.00 -1.53 0.06 0.00 -1.02 0.00 0.00 52.86 50.37 2krt s ASN 67 Cb 0.00 0.39 -0.02 0.00 0.02 0.00 0.00 41.25 41.63 2krt s ASN 67 CO 0.00 -0.88 -0.19 -0.36 0.02 0.00 0.00 177.10 175.69 2krt s PHE 68 N -3.74 2.55 -0.01 2.20 0.08 -1.26 -2.72 117.98 115.07 2krt s PHE 68 Ca 0.37 -0.27 -0.03 0.00 0.12 0.00 0.00 56.93 57.12 2krt s PHE 68 Cb 0.05 -1.57 -0.00 0.00 -0.57 0.00 0.00 43.02 40.94 2krt s PHE 68 CO 0.17 0.11 0.06 -0.48 -0.10 0.00 0.00 175.22 174.98 2krt s LEU 69 N -0.75 1.82 0.74 -0.37 2.34 -1.08 -4.99 118.68 116.39 2krt s LEU 69 Ca 0.11 -0.10 -0.12 0.00 0.06 0.00 0.00 54.13 54.09 2krt s LEU 69 Cb -0.10 0.31 0.04 0.00 -0.56 0.00 0.00 46.19 45.87 2krt s LEU 69 CO 0.00 -0.17 1.10 -0.31 -1.06 0.00 0.00 176.35 175.91 2krt s TYR 70 N -0.66 3.15 0.68 3.48 2.02 -1.26 -1.09 117.35 123.67 2krt s TYR 70 Ca -0.07 1.05 -0.17 0.00 -0.37 0.00 0.00 57.07 57.50 2krt s TYR 70 Cb -0.05 -3.12 -0.12 0.00 -0.40 0.00 0.00 41.96 38.27 2krt s TYR 70 CO 0.00 -1.40 -0.11 -2.30 -1.57 0.00 0.00 175.55 170.17 2krt n PRO 71 N -3.16 0.09 -1.54 -1.71 -0.02 -1.26 -4.63 135.00 122.77 2krt n PRO 71 Ca 0.07 0.04 -0.27 0.00 -2.02 0.00 0.00 63.50 61.33 2krt n PRO 71 Cb 0.57 -1.22 -0.08 0.00 -0.02 0.00 0.00 33.50 32.75 2krt n PRO 71 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2krt n ASP 72 N 2.01 1.51 0.00 2.55 2.03 -1.26 -3.96 116.55 119.43 2krt n ASP 72 Ca 0.06 -0.81 0.00 0.00 0.52 0.00 0.00 54.79 54.56 2krt n ASP 72 Cb 0.50 -1.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.46 2krt n ASP 72 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2krt n GLY 73 N 6.32 1.12 3.60 0.27 0.00 -1.26 -5.12 105.19 110.12 2krt n GLY 73 Ca 0.47 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 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 -4.00 4.44 0.06 1.61 2.15 -1.25 -5.05 116.67 114.62 2krt s ASP 74 Ca 0.00 -0.49 -0.18 0.00 0.43 0.00 0.00 52.55 52.32 2krt s ASP 74 Cb 0.00 -0.84 -0.15 0.00 -0.30 0.00 0.00 42.92 41.64 2krt s ASP 74 CO 0.00 0.11 1.30 2.19 -0.17 0.00 0.00 175.17 178.60 2krt h PHE 75 N 2.97 0.69 -0.14 -5.34 -0.00 -1.99 -3.14 116.94 109.99 2krt h PHE 75 Ca -0.47 -0.26 -0.06 0.00 -0.00 0.00 0.00 57.97 57.18 2krt h PHE 75 Cb 1.20 -0.12 -0.01 0.00 -0.00 0.00 0.00 35.95 37.01 2krt h PHE 75 CO 0.63 1.01 -0.19 0.78 -0.00 0.00 0.00 178.31 180.54 2krt h GLY 76 N 0.17 0.26 0.75 6.09 0.00 -2.00 -1.98 103.07 106.36 2krt h GLY 76 Ca -0.00 -0.17 0.11 0.00 0.00 0.00 0.00 47.33 47.26 2krt h GLY 76 CO 0.08 0.16 0.54 0.23 0.00 0.00 0.00 176.54 177.55 2krt h SER 77 N 0.22 0.66 -0.79 0.19 0.87 -1.96 -0.92 113.55 111.83 2krt h SER 77 Ca 0.04 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 2krt h SER 77 Cb 0.46 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.27 2krt h SER 77 CO 0.03 0.38 0.38 0.00 -0.53 0.00 0.00 176.83 177.09 2krt h ALA 78 N 1.60 1.02 0.00 6.23 0.00 -1.31 -1.08 119.26 125.71 2krt h ALA 78 Ca 0.39 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 2krt h ALA 78 Cb 0.52 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2krt h ALA 78 CO -0.16 0.58 -0.42 -0.91 0.00 0.00 0.00 179.25 178.35 2krt h ASN 79 N 1.12 0.00 0.44 0.00 4.21 -1.17 0.31 115.58 120.48 2krt h ASN 79 Ca 0.27 0.00 -0.31 0.00 1.21 0.00 0.00 56.30 57.47 2krt h ASN 79 Cb 0.12 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.31 2krt h ASN 79 CO -0.03 0.42 -1.58 0.07 -1.29 0.00 0.00 177.43 175.02 2krt h LYS 80 N 0.00 0.23 0.00 0.81 2.10 -1.06 -0.63 116.57 118.02 2krt h LYS 80 Ca -0.00 -0.39 -0.23 0.00 -2.00 0.00 0.00 60.65 58.03 2krt h LYS 80 Cb 0.97 0.14 -0.04 0.00 -0.90 0.00 0.00 32.23 32.41 2krt h LYS 80 CO 0.05 1.07 -1.18 -0.91 -2.00 0.00 0.00 179.45 176.48 2krt h ASN 81 N 0.06 0.00 -0.37 7.07 4.21 -1.21 -3.13 115.58 122.21 2krt h ASN 81 Ca -0.26 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.19 2krt h ASN 81 Cb 2.01 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 39.21 2krt h ASN 81 CO 0.15 0.99 -0.07 0.61 -1.29 0.00 0.00 177.43 177.82 2krt n GLY 82 N 1.40 0.31 3.38 2.83 0.00 0.11 -4.90 105.19 108.33 2krt n GLY 82 Ca -0.04 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.14 2.09 -0.06 2.61 -4.23 -1.18 -3.34 115.64 109.38 2krt s THR 83 Ca 0.00 -2.01 -0.06 0.00 -1.18 0.00 0.00 61.69 58.44 2krt s THR 83 Cb 0.00 -2.00 0.02 0.00 1.34 0.00 0.00 72.50 71.86 2krt s THR 83 CO 0.00 -0.24 0.17 -0.22 -0.54 0.00 0.00 174.62 173.78 2krt s LEU 84 N -2.75 1.29 -0.42 4.79 1.98 -0.12 -4.49 118.68 118.96 2krt s LEU 84 Ca 0.19 0.34 -0.21 0.00 -2.89 0.00 0.00 54.13 51.56 2krt s LEU 84 Cb -0.06 0.57 0.02 0.00 0.66 0.00 0.00 46.19 47.37 2krt s LEU 84 CO 0.09 -0.07 0.65 -0.54 -1.89 0.00 0.00 176.35 174.59 2krt s LYS 85 N 0.20 3.36 -0.19 1.98 1.02 -0.25 -1.47 119.74 124.40 2krt s LYS 85 Ca -0.01 -0.28 -0.26 0.00 0.02 0.00 0.00 55.97 55.45 2krt s LYS 85 Cb -0.02 -3.92 -0.01 0.00 -0.52 0.00 0.00 37.83 33.36 2krt s LYS 85 CO -0.00 -0.96 0.86 -0.51 -0.92 0.00 0.00 175.35 173.81 2krt s LEU 86 N 2.83 4.15 -0.57 3.17 2.01 0.65 -2.64 118.68 128.28 2krt s LEU 86 Ca 0.23 1.19 -0.20 0.00 0.01 0.00 0.00 54.13 55.37 2krt s LEU 86 Cb -0.14 -3.28 0.08 0.00 0.01 0.00 0.00 46.19 42.87 2krt s LEU 86 CO 0.18 -0.45 0.72 -0.55 1.01 0.00 0.00 176.35 177.26 2krt s SER 87 N 1.20 6.20 -0.16 2.29 0.15 -1.10 -1.22 113.70 121.05 2krt s SER 87 Ca 0.39 -1.16 -0.08 0.00 0.70 0.00 0.00 55.95 55.79 2krt s SER 87 Cb -0.16 -2.32 -0.04 0.00 -1.71 0.00 0.00 66.02 61.79 2krt s SER 87 CO 0.11 -1.09 0.13 -0.76 1.20 0.00 0.00 173.24 172.83 2krt s LEU 88 N 2.89 4.24 -0.53 3.45 2.01 -0.70 -0.25 118.68 129.80 2krt s LEU 88 Ca 0.15 0.32 -0.19 0.00 0.01 0.00 0.00 54.13 54.42 2krt s LEU 88 Cb -0.21 -2.07 0.07 0.00 0.01 0.00 0.00 46.19 43.99 2krt s LEU 88 CO 0.09 0.28 0.62 0.00 1.01 0.00 0.00 176.35 178.35 2krt s MET 89 N -0.23 3.08 -0.69 1.70 0.23 -0.10 -1.57 119.30 121.72 2krt s MET 89 Ca 0.11 -1.07 -0.27 0.00 -1.03 0.00 0.00 55.69 53.43 2krt s MET 89 Cb -0.11 -4.15 0.03 0.00 -1.53 0.00 0.00 34.83 29.07 2krt s MET 89 CO 0.01 -1.29 1.22 -0.51 -2.03 0.00 0.00 175.02 172.42 2krt s LEU 90 N 2.52 3.38 -0.53 0.18 2.01 0.18 -3.63 118.68 122.79 2krt s LEU 90 Ca 0.13 -0.39 -0.18 0.00 0.01 0.00 0.00 54.13 53.70 2krt s LEU 90 Cb -0.21 -2.68 0.08 0.00 0.01 0.00 0.00 46.19 43.39 2krt s LEU 90 CO 0.10 -1.71 0.58 -0.89 1.01 0.00 0.00 176.35 175.44 2krt s THR 91 N 5.35 4.97 0.47 5.49 2.01 -0.59 -0.76 115.64 132.58 2krt s THR 91 Ca 0.35 -0.86 -0.25 0.00 0.31 0.00 0.00 61.69 61.24 2krt s THR 91 Cb -0.09 -4.32 -0.08 0.00 0.01 0.00 0.00 72.50 68.03 2krt s THR 91 CO 0.17 -0.85 1.43 -0.62 -0.69 0.00 0.00 174.62 174.05 2krt s ASP 92 N 3.02 5.77 -0.06 3.53 -1.08 -0.06 -0.63 116.67 127.15 2krt s ASP 92 Ca 0.10 2.92 0.12 0.00 -0.52 0.00 0.00 52.55 55.17 2krt s ASP 92 Cb -0.23 -2.65 0.37 0.00 -1.46 0.00 0.00 42.92 38.95 2krt s ASP 92 CO 0.08 -1.25 1.30 0.29 0.52 0.00 0.00 175.17 176.11 2krt n LYS 93 N -0.32 2.87 0.02 4.34 4.76 -0.33 -3.19 118.16 126.31 2krt n LYS 93 Ca 0.06 -2.30 0.00 0.00 -2.87 0.00 0.00 58.31 53.20 2krt n LYS 93 Cb 0.42 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 2krt n LYS 93 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2krt n LYS 94 N 0.10 0.00 0.03 1.97 2.85 -1.26 -4.77 118.16 117.08 2krt n LYS 94 Ca 0.14 0.00 0.12 0.00 -1.05 0.00 0.00 58.31 57.52 2krt n LYS 94 Cb 0.58 -0.50 0.09 0.00 -0.65 0.00 0.00 35.03 34.54 2krt n LYS 94 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2krt n ASN 95 N -3.19 0.64 -1.73 -5.58 4.13 -1.26 -4.99 115.26 103.27 2krt n ASN 95 Ca 0.00 -0.12 -0.13 0.00 1.68 0.00 0.00 54.58 56.02 2krt n ASN 95 Cb 0.30 0.55 0.02 0.00 -1.54 0.00 0.00 39.78 39.12 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 -1.97 -4.09 -4.82 6.41 5.03 -1.19 -5.01 115.26 109.61 2krt n ASN 96 Ca 0.03 -0.13 -0.37 0.00 0.87 0.00 0.00 54.58 54.97 2krt n ASN 96 Cb 0.43 -3.04 -0.06 0.00 -1.02 0.00 0.00 39.78 36.09 2krt n ASN 96 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2krt s GLN 97 N -5.08 4.12 -0.22 3.52 -1.52 -1.26 -4.79 119.66 114.44 2krt s GLN 97 Ca 0.14 0.65 -0.08 0.00 -1.95 0.00 0.00 55.36 54.12 2krt s GLN 97 Cb -0.06 -3.13 -0.04 0.00 -0.22 0.00 0.00 33.01 29.56 2krt s GLN 97 CO 0.17 0.58 0.10 0.54 -0.25 0.00 0.00 175.29 176.43 2krt s VAL 98 N -1.24 4.81 0.07 1.09 0.11 -1.26 -0.88 120.40 123.10 2krt s VAL 98 Ca 0.32 -0.01 0.09 0.00 -2.93 0.00 0.00 61.98 59.45 2krt s VAL 98 Cb -0.18 -3.22 -0.03 0.00 -1.53 0.00 0.00 36.38 31.42 2krt s VAL 98 CO 0.19 0.38 -0.24 -0.47 -3.33 0.00 0.00 175.10 171.62 2krt s TYR 99 N 1.04 2.11 -0.17 1.54 5.04 0.06 -4.97 117.35 122.00 2krt s TYR 99 Ca 0.05 -0.40 -0.03 0.00 -2.44 0.00 0.00 57.07 54.26 2krt s TYR 99 Cb -0.14 -1.23 -0.02 0.00 0.35 0.00 0.00 41.96 40.93 2krt s TYR 99 CO 0.04 0.17 -0.06 0.71 -1.34 0.00 0.00 175.55 175.07 2krt s TYR 100 N -0.90 2.96 -0.07 4.97 2.02 -1.26 0.51 117.35 125.57 2krt s TYR 100 Ca 0.10 -0.56 -0.00 0.00 -0.37 0.00 0.00 57.07 56.24 2krt s TYR 100 Cb -0.10 -1.99 0.02 0.00 -0.40 0.00 0.00 41.96 39.50 2krt s TYR 100 CO 0.03 -0.24 -0.04 0.21 -1.57 0.00 0.00 175.55 173.95 2krt s LYS 101 N 0.74 0.96 -0.20 -0.62 2.47 -0.61 -4.99 119.74 117.48 2krt s LYS 101 Ca -0.02 -0.07 -0.19 0.00 -1.56 0.00 0.00 55.97 54.12 2krt s LYS 101 Cb -0.15 -1.11 -0.03 0.00 -1.46 0.00 0.00 37.83 35.09 2krt s LYS 101 CO 0.02 -0.21 0.56 -0.51 0.16 0.00 0.00 175.35 175.36 2krt s LEU 102 N 1.53 4.14 -0.18 5.43 1.43 -1.26 -1.73 118.68 128.05 2krt s LEU 102 Ca -0.01 0.72 0.01 0.00 -1.03 0.00 0.00 54.13 53.82 2krt s LEU 102 Cb -0.13 -2.77 0.03 0.00 0.03 0.00 0.00 46.19 43.35 2krt s LEU 102 CO -0.04 -0.22 -0.16 -0.76 0.23 0.00 0.00 176.35 175.40 2krt s LEU 103 N 1.76 2.12 -0.33 1.79 1.02 -0.35 -4.95 118.68 119.75 2krt s LEU 103 Ca 0.25 -0.69 -0.17 0.00 0.02 0.00 0.00 54.13 53.54 2krt s LEU 103 Cb -0.16 -1.37 -0.01 0.00 0.02 0.00 0.00 46.19 44.68 2krt s LEU 103 CO 0.10 -0.05 0.47 -0.70 0.02 0.00 0.00 176.35 176.19 2krt s GLU 104 N 1.35 3.71 0.46 1.70 2.12 -1.26 -0.25 118.70 126.52 2krt s GLU 104 Ca 0.03 -0.13 0.04 0.00 0.36 0.00 0.00 54.97 55.27 2krt s GLU 104 Cb -0.14 -3.77 -0.04 0.00 0.26 0.00 0.00 34.13 30.44 2krt s GLU 104 CO -0.11 -0.54 0.01 0.14 -0.54 0.00 0.00 175.26 174.22 2krt s VAL 105 N 2.27 1.52 0.31 3.70 -7.23 -0.54 -4.90 120.40 115.53 2krt s VAL 105 Ca 0.17 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.39 2krt s VAL 105 Cb -0.16 -2.55 -0.02 0.00 0.56 0.00 0.00 36.38 34.22 2krt s VAL 105 CO 0.12 0.00 0.18 -1.54 -0.31 0.00 0.00 175.10 173.55 2krt n SER 106 N -1.12 0.24 0.00 4.85 3.41 -1.26 -0.94 113.62 118.79 2krt n SER 106 Ca -0.12 -2.81 0.00 0.00 -0.26 0.00 0.00 58.87 55.67 2krt n SER 106 Cb 0.67 1.14 0.00 0.00 -0.26 0.00 0.00 64.21 65.76 2krt n SER 106 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2krt n GLY 107 N -0.42 0.98 0.00 5.00 0.00 -1.21 -5.03 105.19 104.52 2krt n GLY 107 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2krt n GLY 107 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2krt n PHE 108 N -0.54 0.00 -3.79 1.61 3.72 -1.26 -4.51 117.46 112.69 2krt n PHE 108 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 2krt n PHE 108 Cb 0.00 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.43 2krt n PHE 108 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2krt s LYS 109 N -0.35 0.32 -0.23 -1.08 -0.14 -1.26 -4.28 119.74 112.73 2krt s LYS 109 Ca 0.00 0.24 -0.01 0.00 -1.36 0.00 0.00 55.97 54.85 2krt s LYS 109 Cb 0.00 0.15 0.06 0.00 -1.68 0.00 0.00 37.83 36.37 2krt s LYS 109 CO 0.00 -0.05 -0.00 -1.54 -0.76 0.00 0.00 175.35 173.00 2krt s SER 110 N -0.09 3.51 -0.55 2.83 1.04 -1.26 -3.79 113.70 115.40 2krt s SER 110 Ca -0.02 -1.10 0.06 0.00 0.48 0.00 0.00 55.95 55.37 2krt s SER 110 Cb -0.02 -0.92 0.21 0.00 0.10 0.00 0.00 66.02 65.39 2krt s SER 110 CO 0.01 -0.28 0.54 0.59 0.98 0.00 0.00 173.24 175.08 2krt n ASN 111 N 4.83 1.80 0.00 7.02 5.03 -0.24 -5.00 115.26 128.70 2krt n ASN 111 Ca -0.09 -2.98 0.00 0.00 0.87 0.00 0.00 54.58 52.38 2krt n ASN 111 Cb 0.45 -0.66 0.00 0.00 -1.02 0.00 0.00 39.78 38.55 2krt n ASN 111 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 2krt n PRO 112 N 1.67 0.00 0.22 3.52 -0.02 -1.18 -1.47 135.00 137.74 2krt n PRO 112 Ca 0.25 0.14 0.15 0.00 -2.02 0.00 0.00 63.50 62.02 2krt n PRO 112 Cb 0.44 -0.95 0.74 0.00 -0.02 0.00 0.00 33.50 33.71 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 0.10 6.00 -0.00 -1.96 -2.38 116.97 118.73 2krt h TYR 113 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 58.73 58.44 2krt h TYR 113 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 36.73 36.76 2krt h TYR 113 CO 0.04 0.00 -1.18 -0.07 -0.00 0.00 0.00 178.16 176.95 2krt h LEU 114 N 0.00 0.86 0.10 0.10 3.38 -1.95 -3.14 115.31 114.65 2krt h LEU 114 Ca 0.00 -0.82 -0.00 0.00 0.09 0.00 0.00 57.88 57.15 2krt h LEU 114 Cb 0.17 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2krt h LEU 114 CO 0.00 1.58 -0.05 -0.08 0.09 0.00 0.00 178.44 179.99 2krt h GLU 115 N 0.25 -0.13 -0.06 1.13 4.22 -0.72 -3.02 114.58 116.25 2krt h GLU 115 Ca -0.18 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.27 2krt h GLU 115 Cb 1.85 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.13 2krt h GLU 115 CO 0.23 0.05 0.00 1.58 -2.18 0.00 0.00 179.01 178.68 2krt n HIS 116 N -5.08 0.03 -2.16 0.92 -0.00 -1.14 -3.35 115.22 104.44 2krt n HIS 116 Ca -0.08 -0.02 0.03 0.00 0.46 0.00 0.00 57.72 58.11 2krt n HIS 116 Cb 0.14 -0.00 0.09 0.00 -0.12 0.00 0.00 29.99 30.10 2krt n HIS 116 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2krt n HIS 117 N -0.41 0.21 -2.16 1.57 8.25 -1.14 -4.99 115.22 116.53 2krt n HIS 117 Ca 0.01 -1.06 -0.30 0.00 -0.26 0.00 0.00 57.72 56.10 2krt n HIS 117 Cb 0.03 -0.20 -0.05 0.00 1.12 0.00 0.00 29.99 30.89 2krt n HIS 117 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2krt s HIS 118 N -1.63 2.04 -0.99 4.41 3.76 -1.21 -4.89 115.29 116.78 2krt s HIS 118 Ca 0.36 0.18 -0.11 0.00 -0.15 0.00 0.00 55.06 55.33 2krt s HIS 118 Cb 0.38 -4.17 0.25 0.00 1.11 0.00 0.00 32.58 30.15 2krt s HIS 118 CO -0.11 -1.55 0.98 -3.38 -0.85 0.00 0.00 174.74 169.82 2krt s HIS 119 N 9.33 4.03 0.17 1.40 -3.43 -1.26 -4.97 115.29 120.57 2krt s HIS 119 Ca 0.65 -2.37 -0.23 0.00 -0.80 0.00 0.00 55.06 52.31 2krt s HIS 119 Cb -0.02 -3.85 0.08 0.00 -1.43 0.00 0.00 32.58 27.35 2krt s HIS 119 CO 0.05 -0.99 1.03 -3.38 -2.00 0.00 0.00 174.74 169.45 2krt s HIS 120 N -0.55 0.03 -2.87 0.38 -3.43 -1.26 -5.32 115.29 102.26 2krt s HIS 120 Ca 0.26 -0.40 0.23 0.00 -0.80 0.00 0.00 55.06 54.35 2krt s HIS 120 Cb -0.10 0.68 0.18 0.00 -1.43 0.00 0.00 32.58 31.92 2krt s HIS 120 CO -0.08 -0.89 1.23 0.72 -2.00 0.00 0.00 174.74 173.72