#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2krt s LEU 2 N 0.00 3.42 -0.21 4.03 2.96 -1.26 -4.97 118.68 122.64 2krt s LEU 2 Ca 0.00 0.55 -0.29 0.00 -0.22 0.00 0.00 54.13 54.16 2krt s LEU 2 Cb 0.00 -3.08 -0.01 0.00 0.50 0.00 0.00 46.19 43.60 2krt s LEU 2 CO 0.00 -1.82 1.29 -0.44 -1.32 0.00 0.00 176.35 174.06 2krt s SER 3 N 5.45 6.83 -0.45 3.68 0.01 -1.26 -4.93 113.70 123.02 2krt s SER 3 Ca 0.61 1.52 0.07 0.00 1.31 0.00 0.00 55.95 59.47 2krt s SER 3 Cb -0.14 -2.54 0.29 0.00 0.21 0.00 0.00 66.02 63.85 2krt s SER 3 CO 0.27 -0.89 0.93 0.00 0.41 0.00 0.00 173.24 173.95 2krt n GLN 4 N 6.90 0.90 -3.74 12.44 10.64 -1.26 -5.01 117.38 138.26 2krt n GLN 4 Ca 0.14 -2.18 -0.01 0.00 -1.83 0.00 0.00 57.00 53.13 2krt n GLN 4 Cb 0.45 -1.28 -0.00 0.00 -0.86 0.00 0.00 30.24 28.55 2krt n GLN 4 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2krt s ALA 5 N -0.08 -1.96 0.23 2.61 0.00 -1.26 -5.00 121.76 116.30 2krt s ALA 5 Ca 0.29 0.28 -0.05 0.00 0.00 0.00 0.00 51.96 52.49 2krt s ALA 5 Cb 0.27 0.56 0.23 0.00 0.00 0.00 0.00 23.12 24.18 2krt s ALA 5 CO -0.13 -1.06 1.72 -0.91 0.00 0.00 0.00 175.76 175.38 2krt h ASN 6 N 2.00 0.88 0.21 0.00 -0.26 -2.00 -2.17 115.58 114.24 2krt h ASN 6 Ca -0.27 -0.23 -0.14 0.00 -0.56 0.00 0.00 56.30 55.10 2krt h ASN 6 Cb 1.21 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 38.23 2krt h ASN 6 CO 0.29 0.94 -0.54 1.05 -1.06 0.00 0.00 177.43 178.10 2krt h GLU 7 N 0.84 0.36 -0.50 0.81 4.11 -1.99 -2.80 114.58 115.41 2krt h GLU 7 Ca 0.16 -0.22 0.05 0.00 0.07 0.00 0.00 59.36 59.41 2krt h GLU 7 Cb 0.49 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 2krt h GLU 7 CO 0.02 0.81 0.25 -0.44 0.07 0.00 0.00 179.01 179.72 2krt h ASP 8 N 0.28 0.35 0.12 3.06 5.19 -1.84 -0.47 116.42 123.11 2krt h ASP 8 Ca 0.01 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.44 2krt h ASP 8 Cb 1.04 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.52 2krt h ASP 8 CO 0.09 0.24 -0.06 -0.26 -3.12 0.00 0.00 179.24 176.13 2krt h PHE 9 N 0.48 -0.16 -0.40 4.55 0.04 -1.33 -2.50 116.94 117.63 2krt h PHE 9 Ca 0.22 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.98 2krt h PHE 9 Cb 0.14 0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 2krt h PHE 9 CO -0.11 0.03 0.19 1.57 -0.60 0.00 0.00 178.31 179.39 2krt h LYS 10 N -0.32 0.55 -0.31 1.51 2.10 -1.39 -1.28 116.57 117.44 2krt h LYS 10 Ca -0.02 -0.06 0.06 0.00 -2.00 0.00 0.00 60.65 58.63 2krt h LYS 10 Cb 0.26 -0.11 -0.06 0.00 -0.90 0.00 0.00 32.23 31.42 2krt h LYS 10 CO 0.03 0.44 -0.08 -0.22 -2.00 0.00 0.00 179.45 177.61 2krt h LYS 11 N 0.55 -0.00 -0.51 0.07 3.11 -0.90 0.14 116.57 119.03 2krt h LYS 11 Ca 0.14 0.00 0.05 0.00 -2.81 0.00 0.00 60.65 58.03 2krt h LYS 11 Cb 0.07 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.26 2krt h LYS 11 CO -0.02 -0.00 0.25 0.82 -2.81 0.00 0.00 179.45 177.69 2krt h ILE 12 N -0.00 0.94 -0.64 2.00 2.04 -0.82 0.25 117.51 121.28 2krt h ILE 12 Ca 0.15 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 2krt h ILE 12 Cb 0.23 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 2krt h ILE 12 CO -0.32 0.09 0.37 0.58 0.00 0.00 0.00 178.15 178.87 2krt h VAL 13 N 0.48 1.20 0.00 1.67 2.07 -0.73 -1.03 116.25 119.91 2krt h VAL 13 Ca 0.23 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2krt h VAL 13 Cb 0.15 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2krt h VAL 13 CO -0.17 0.21 0.00 0.78 0.02 0.00 0.00 177.57 178.41 2krt h ASN 14 N 0.87 0.00 -0.60 0.57 2.35 -0.40 -3.06 115.58 115.32 2krt h ASN 14 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 2krt h ASN 14 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 2krt h ASN 14 CO -0.04 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.33 2krt n ASN 15 N -2.75 3.52 -4.73 5.81 5.03 0.86 -4.90 115.26 118.10 2krt n ASN 15 Ca 0.04 -1.99 -0.42 0.00 0.87 0.00 0.00 54.58 53.08 2krt n ASN 15 Cb 0.42 -0.40 -0.03 0.00 -1.02 0.00 0.00 39.78 38.75 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 -1.20 2.45 -0.03 2.41 1.01 -0.46 -4.88 121.20 120.50 2krt s ILE 16 Ca 0.43 0.33 0.05 0.00 0.00 0.00 0.00 60.65 61.46 2krt s ILE 16 Cb 0.23 -3.21 -0.01 0.00 0.01 0.00 0.00 42.46 39.48 2krt s ILE 16 CO 0.31 0.03 -0.16 -0.13 0.00 0.00 0.00 174.94 174.99 2krt s ARG 17 N 0.78 1.47 0.00 2.79 3.00 -1.26 -4.92 118.95 120.82 2krt s ARG 17 Ca 0.69 -0.57 0.00 0.00 0.00 0.00 0.00 55.73 55.85 2krt s ARG 17 Cb -0.45 -1.36 0.00 0.00 0.00 0.00 0.00 34.95 33.14 2krt s ARG 17 CO 0.35 0.29 0.85 1.47 0.00 0.00 0.00 175.30 178.26 2krt n LEU 18 N 2.92 2.51 0.00 2.53 -0.00 -1.26 -1.14 117.00 122.55 2krt n LEU 18 Ca -0.16 -1.23 0.00 0.00 -0.00 0.00 0.00 56.01 54.62 2krt n LEU 18 Cb 0.54 -0.44 0.00 0.00 -0.00 0.00 0.00 43.42 43.52 2krt n LEU 18 CO 0.24 0.43 0.00 1.17 -0.00 0.00 0.00 177.39 179.23 2krt n LYS 19 N 0.73 0.00 -0.08 1.47 4.81 -1.09 -4.59 118.16 119.41 2krt n LYS 19 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 2krt n LYS 19 Cb 0.38 -0.21 -0.04 0.00 0.02 0.00 0.00 35.03 35.18 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 -1.16 1.84 0.07 3.14 2.03 -1.16 -4.74 116.55 116.57 2krt n ASP 20 Ca 0.00 0.56 -0.21 0.00 0.52 0.00 0.00 54.79 55.66 2krt n ASP 20 Cb 0.00 -0.88 -0.13 0.00 -0.72 0.00 0.00 41.12 39.39 2krt n ASP 20 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2krt h THR 21 N -1.00 1.38 -2.53 5.18 2.02 -1.47 -3.44 112.91 113.04 2krt h THR 21 Ca -0.10 -2.42 -0.09 0.00 0.77 0.00 0.00 66.41 64.57 2krt h THR 21 Cb 0.76 2.85 -0.20 0.00 -1.74 0.00 0.00 68.15 69.81 2krt h THR 21 CO -0.06 0.72 -0.07 0.72 0.37 0.00 0.00 175.52 177.20 2krt s PHE 22 N -2.84 -0.44 -0.33 3.16 -0.71 -0.87 -0.68 117.98 115.26 2krt s PHE 22 Ca -0.11 0.83 -0.07 0.00 -1.04 0.00 0.00 56.93 56.54 2krt s PHE 22 Cb 0.04 0.23 0.03 0.00 -1.21 0.00 0.00 43.02 42.11 2krt s PHE 22 CO 0.88 -0.44 0.12 -0.51 -1.34 0.00 0.00 175.22 173.93 2krt s ASP 23 N -0.92 5.35 0.18 1.98 1.11 0.31 -2.67 116.67 122.01 2krt s ASP 23 Ca -0.10 -0.99 -0.16 0.00 0.18 0.00 0.00 52.55 51.49 2krt s ASP 23 Cb -0.03 -1.90 -0.07 0.00 1.07 0.00 0.00 42.92 41.98 2krt s ASP 23 CO 0.06 -0.30 0.61 0.72 1.18 0.00 0.00 175.17 177.43 2krt s PHE 24 N 1.46 3.60 0.01 4.23 -0.71 -1.26 -1.25 117.98 124.06 2krt s PHE 24 Ca 0.00 1.15 0.09 0.00 -1.04 0.00 0.00 56.93 57.13 2krt s PHE 24 Cb -0.19 -2.44 -0.02 0.00 -1.21 0.00 0.00 43.02 39.15 2krt s PHE 24 CO 0.03 0.38 -0.26 0.21 -1.34 0.00 0.00 175.22 174.24 2krt s LYS 25 N -2.06 1.95 -0.13 1.99 2.20 0.11 -4.83 119.74 118.96 2krt s LYS 25 Ca 0.41 -1.02 -0.13 0.00 -0.36 0.00 0.00 55.97 54.87 2krt s LYS 25 Cb -0.15 -2.00 -0.05 0.00 -1.51 0.00 0.00 37.83 34.12 2krt s LYS 25 CO 0.20 0.53 0.29 -0.51 -0.36 0.00 0.00 175.35 175.50 2krt s LEU 26 N -0.92 4.30 0.28 5.43 2.01 -1.23 -0.67 118.68 127.88 2krt s LEU 26 Ca 0.11 0.58 0.01 0.00 0.01 0.00 0.00 54.13 54.84 2krt s LEU 26 Cb -0.10 -2.37 0.40 0.00 0.01 0.00 0.00 46.19 44.13 2krt s LEU 26 CO 0.01 0.18 1.74 0.00 1.01 0.00 0.00 176.35 179.29 2krt h ALA 27 N 6.09 1.12 0.00 4.21 0.00 -1.76 -2.73 119.26 126.18 2krt h ALA 27 Ca -0.45 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 53.99 2krt h ALA 27 Cb 1.18 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2krt h ALA 27 CO 0.71 0.55 -0.95 0.00 0.00 0.00 0.00 179.25 179.56 2krt h ALA 28 N 1.30 0.59 -2.98 0.00 0.00 -1.88 -3.39 119.26 112.90 2krt h ALA 28 Ca 0.09 -0.76 -0.62 0.00 0.00 0.00 0.00 54.91 53.63 2krt h ALA 28 Cb 0.57 0.03 -0.41 0.00 0.00 0.00 0.00 17.79 17.98 2krt h ALA 28 CO 0.04 0.95 -0.65 -0.06 0.00 0.00 0.00 179.25 179.53 2krt s PHE 29 N -2.85 3.09 0.10 0.00 0.08 -1.13 -5.03 117.98 112.24 2krt s PHE 29 Ca 0.01 -3.14 -0.32 0.00 0.12 0.00 0.00 56.93 53.60 2krt s PHE 29 Cb 0.08 -2.39 -0.14 0.00 -0.57 0.00 0.00 43.02 40.01 2krt s PHE 29 CO 0.79 -0.61 1.60 -1.00 -0.10 0.00 0.00 175.22 175.89 2krt h PRO 30 N 5.54 -0.76 -0.60 0.24 0.13 -1.70 -3.11 132.00 131.75 2krt h PRO 30 Ca 0.15 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2krt h PRO 30 Cb 0.79 0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2krt h PRO 30 CO 0.65 -0.51 0.00 0.09 -0.23 0.00 0.00 178.00 178.00 2krt n ASN 31 N -5.49 4.42 -4.91 1.44 4.13 -1.26 -4.48 115.26 109.11 2krt n ASN 31 Ca -0.10 -2.40 -0.31 0.00 1.68 0.00 0.00 54.58 53.45 2krt n ASN 31 Cb 0.39 -0.53 -0.04 0.00 -1.54 0.00 0.00 39.78 38.06 2krt n ASN 31 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2krt s GLN 32 N -1.74 3.51 0.23 3.52 -1.52 -1.17 -5.11 119.66 117.37 2krt s GLN 32 Ca 0.47 -0.30 0.07 0.00 -1.95 0.00 0.00 55.36 53.65 2krt s GLN 32 Cb 0.30 -2.98 -0.04 0.00 -0.22 0.00 0.00 33.01 30.07 2krt s GLN 32 CO 0.23 0.57 0.16 -0.80 -0.25 0.00 0.00 175.29 175.20 2krt s ASN 33 N -2.42 5.40 0.34 5.90 0.02 -1.26 -4.64 114.94 118.28 2krt s ASN 33 Ca 0.36 -0.26 0.12 0.00 -1.02 0.00 0.00 52.86 52.05 2krt s ASN 33 Cb -0.13 -1.35 1.06 0.00 0.02 0.00 0.00 41.25 40.85 2krt s ASN 33 CO 0.26 -0.00 1.58 0.10 0.02 0.00 0.00 177.10 179.06 2krt h TYR 34 N 1.80 0.42 0.00 2.20 -0.00 -1.91 0.11 116.97 119.59 2krt h TYR 34 Ca -0.48 0.05 0.00 0.00 0.00 0.00 0.00 58.73 58.31 2krt h TYR 34 Cb 1.23 -0.02 0.00 0.00 0.00 0.00 0.00 36.73 37.94 2krt h TYR 34 CO 0.58 -0.44 0.00 -0.40 -0.00 0.00 0.00 178.16 177.89 2krt n ASP 35 N -5.36 0.00 0.00 0.10 5.68 -1.26 -2.38 116.55 113.33 2krt n ASP 35 Ca 0.31 -0.93 0.00 0.00 -0.50 0.00 0.00 54.79 53.67 2krt n ASP 35 Cb 1.02 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 41.00 2krt n ASP 35 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2krt n GLN 36 N -0.68 1.12 -4.93 0.11 6.02 0.37 -4.86 117.38 114.53 2krt n GLN 36 Ca 0.05 -0.18 -0.32 0.00 -0.01 0.00 0.00 57.00 56.54 2krt n GLN 36 Cb 0.02 -0.60 -0.17 0.00 1.02 0.00 0.00 30.24 30.51 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 -0.42 2.08 0.57 1.08 2.01 -1.00 -4.97 118.68 118.01 2krt s LEU 37 Ca 0.00 -0.57 -0.19 0.00 0.01 0.00 0.00 54.13 53.38 2krt s LEU 37 Cb 0.00 -1.40 -0.05 0.00 0.01 0.00 0.00 46.19 44.75 2krt s LEU 37 CO 0.00 0.12 1.18 -0.76 1.01 0.00 0.00 176.35 177.90 2krt s LEU 38 N 0.58 3.72 0.29 1.79 1.43 -1.26 -4.80 118.68 120.43 2krt s LEU 38 Ca -0.13 2.32 0.01 0.00 -1.03 0.00 0.00 54.13 55.30 2krt s LEU 38 Cb -0.17 -4.57 0.70 0.00 0.03 0.00 0.00 46.19 42.19 2krt s LEU 38 CO 0.04 -1.42 1.62 -0.65 0.23 0.00 0.00 176.35 176.16 2krt h PRO 39 N 1.08 0.11 -0.45 1.29 0.11 -1.95 0.19 132.00 132.37 2krt h PRO 39 Ca -0.50 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 2krt h PRO 39 Cb 1.28 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 2krt h PRO 39 CO 0.56 0.07 0.06 0.77 -0.21 0.00 0.00 178.00 179.26 2krt h SER 40 N 0.11 0.65 -0.02 -2.05 0.02 -1.98 -0.18 113.55 110.10 2krt h SER 40 Ca 0.56 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.38 2krt h SER 40 Cb 1.13 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.50 2krt h SER 40 CO -0.76 0.68 0.01 1.56 -1.14 0.00 0.00 176.83 177.18 2krt h GLN 41 N 0.67 0.03 -0.48 3.45 1.08 -0.99 -0.98 115.11 117.89 2krt h GLN 41 Ca 0.14 -0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.26 2krt h GLN 41 Cb 0.32 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.72 2krt h GLN 41 CO 0.00 0.20 -0.03 0.82 -0.95 0.00 0.00 178.83 178.87 2krt h ILE 42 N -0.14 1.25 -0.84 2.54 2.04 -1.34 -1.76 117.51 119.26 2krt h ILE 42 Ca 0.01 -1.07 0.03 0.00 1.00 0.00 0.00 64.86 64.83 2krt h ILE 42 Cb 0.17 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 2krt h ILE 42 CO -0.00 0.37 0.54 0.22 0.00 0.00 0.00 178.15 179.28 2krt h TYR 43 N 0.76 1.00 -0.67 1.37 3.20 -0.86 -1.55 116.97 120.22 2krt h TYR 43 Ca 0.14 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 2krt h TYR 43 Cb 0.50 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 2krt h TYR 43 CO 0.03 0.57 0.16 0.87 -1.64 0.00 0.00 178.16 178.15 2krt h LYS 44 N 1.04 1.07 0.00 1.82 1.57 -0.87 -2.85 116.57 118.35 2krt h LYS 44 Ca 0.33 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2krt h LYS 44 Cb 0.01 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 2krt h LYS 44 CO -0.12 0.95 -0.03 -0.97 -0.57 0.00 0.00 179.45 178.71 2krt h ASN 45 N 1.02 0.00 -0.89 0.86 -1.24 -0.41 -2.12 115.58 112.80 2krt h ASN 45 Ca 0.21 0.00 0.20 0.00 0.71 0.00 0.00 56.30 57.42 2krt h ASN 45 Cb 0.36 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.35 2krt h ASN 45 CO 0.00 0.03 0.59 0.22 -1.29 0.00 0.00 177.43 176.99 2krt h TYR 46 N 0.00 0.52 -0.00 0.67 3.20 -1.13 0.19 116.97 120.41 2krt h TYR 46 Ca -0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2krt h TYR 46 Cb 0.07 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.18 2krt h TYR 46 CO 0.00 0.14 -0.00 0.66 -1.64 0.00 0.00 178.16 177.32 2krt n TYR 47 N -4.50 0.00 -0.06 -3.82 4.01 -0.80 -3.73 117.16 108.27 2krt n TYR 47 Ca 0.19 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.84 2krt n TYR 47 Cb 0.69 -0.03 -0.05 0.00 -0.31 0.00 0.00 39.34 39.65 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 -0.88 0.27 0.00 -0.72 1.13 0.48 -5.13 117.38 112.54 2krt n GLN 48 Ca 0.22 0.08 0.00 0.00 -1.94 0.00 0.00 57.00 55.36 2krt n GLN 48 Cb 0.16 -1.14 0.00 0.00 0.11 0.00 0.00 30.24 29.37 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 2.75 4.52 3.07 1.08 0.00 -0.19 -4.92 105.19 111.50 2krt n GLY 49 Ca -0.21 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.22 1.79 -0.44 -0.61 1.01 -1.26 -2.26 121.20 118.20 2krt s ILE 50 Ca 0.00 -0.77 -0.17 0.00 0.00 0.00 0.00 60.65 59.71 2krt s ILE 50 Cb 0.00 -1.64 0.04 0.00 0.01 0.00 0.00 42.46 40.86 2krt s ILE 50 CO 0.00 0.49 0.47 -1.61 0.00 0.00 0.00 174.94 174.29 2krt s GLU 51 N 1.38 3.08 -0.74 2.79 2.02 0.16 -4.94 118.70 122.46 2krt s GLU 51 Ca 0.05 -0.86 -0.21 0.00 0.02 0.00 0.00 54.97 53.96 2krt s GLU 51 Cb -0.13 -4.01 0.09 0.00 0.10 0.00 0.00 34.13 30.18 2krt s GLU 51 CO -0.11 -0.95 1.00 0.42 0.02 0.00 0.00 175.26 175.64 2krt s ILE 52 N 2.16 4.48 -1.14 -1.63 -1.09 -1.26 0.04 121.20 122.77 2krt s ILE 52 Ca 0.12 -0.79 -0.19 0.00 -2.23 0.00 0.00 60.65 57.56 2krt s ILE 52 Cb -0.18 -4.70 0.08 0.00 -1.58 0.00 0.00 42.46 36.08 2krt s ILE 52 CO 0.12 -1.45 1.52 -1.58 -1.23 0.00 0.00 174.94 172.32 2krt s GLN 53 N 3.55 3.81 0.54 2.79 0.74 -0.38 -4.98 119.66 125.73 2krt s GLN 53 Ca 0.25 -1.71 -0.20 0.00 0.05 0.00 0.00 55.36 53.74 2krt s GLN 53 Cb -0.14 -5.34 -0.05 0.00 1.10 0.00 0.00 33.01 28.58 2krt s GLN 53 CO 0.04 -2.12 1.20 -0.65 -0.55 0.00 0.00 175.29 173.20 2krt s GLN 54 N 4.01 3.27 0.00 1.67 -0.21 -1.26 -0.53 119.66 126.61 2krt s GLN 54 Ca 0.47 1.83 0.00 0.00 0.02 0.00 0.00 55.36 57.68 2krt s GLN 54 Cb 0.01 -2.11 0.00 0.00 1.00 0.00 0.00 33.01 31.91 2krt s GLN 54 CO -0.02 -0.97 0.54 1.58 -2.12 0.00 0.00 175.29 174.30 2krt n HIS 55 N -1.17 0.00 -2.75 0.91 -0.00 0.14 -4.85 115.22 107.50 2krt n HIS 55 Ca 0.11 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.29 2krt n HIS 55 Cb 0.49 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.36 2krt n HIS 55 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 2krt n LYS 56 N 0.00 0.45 -1.96 1.57 4.81 -0.84 -4.88 118.16 117.29 2krt n LYS 56 Ca 0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.19 2krt n LYS 56 Cb 0.52 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.51 2krt n LYS 56 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2krt s TYR 57 N -0.30 1.73 -1.43 5.64 1.51 -1.26 -4.71 117.35 118.52 2krt s TYR 57 Ca 0.00 0.87 0.22 0.00 -1.01 0.00 0.00 57.07 57.15 2krt s TYR 57 Cb 0.00 -3.90 -0.06 0.00 -0.11 0.00 0.00 41.96 37.89 2krt s TYR 57 CO 0.00 -1.48 1.03 1.04 -1.11 0.00 0.00 175.55 175.03 2krt n GLN 58 N 8.63 0.50 0.20 -0.62 1.13 -1.26 -3.61 117.38 122.35 2krt n GLN 58 Ca 0.42 -0.41 0.06 0.00 -1.94 0.00 0.00 57.00 55.14 2krt n GLN 58 Cb 0.46 -1.49 0.40 0.00 0.11 0.00 0.00 30.24 29.72 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 0.99 0.00 0.00 1.08 -0.73 -2.03 -3.31 115.58 111.58 2krt h ASN 59 Ca 0.00 0.00 -0.07 0.00 1.87 0.00 0.00 56.30 58.10 2krt h ASN 59 Cb 0.60 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.18 2krt h ASN 59 CO 0.00 0.34 -0.51 -0.08 -0.37 0.00 0.00 177.43 176.80 2krt h GLU 60 N 0.00 0.00 -6.79 6.67 4.57 -1.97 -3.46 114.58 113.60 2krt h GLU 60 Ca -0.00 0.00 -0.69 0.00 -1.18 0.00 0.00 59.36 57.48 2krt h GLU 60 Cb 0.77 0.00 -0.24 0.00 -0.16 0.00 0.00 28.75 29.12 2krt h GLU 60 CO 0.04 0.49 -0.87 -0.48 -1.18 0.00 0.00 179.01 177.01 2krt s LEU 61 N -8.19 2.26 -0.25 1.64 0.05 -1.24 -4.39 118.68 108.56 2krt s LEU 61 Ca -0.16 -0.63 -0.05 0.00 0.05 0.00 0.00 54.13 53.33 2krt s LEU 61 Cb 0.02 -1.29 -0.01 0.00 -2.05 0.00 0.00 46.19 42.86 2krt s LEU 61 CO 0.37 0.23 0.02 -0.62 -0.55 0.00 0.00 176.35 175.80 2krt s ASP 62 N -1.55 4.73 -0.33 1.48 2.15 -1.24 -4.25 116.67 117.64 2krt s ASP 62 Ca 0.13 -0.46 -0.15 0.00 0.43 0.00 0.00 52.55 52.49 2krt s ASP 62 Cb -0.10 -1.82 -0.01 0.00 -0.30 0.00 0.00 42.92 40.69 2krt s ASP 62 CO 0.04 -0.08 0.38 -0.63 -0.17 0.00 0.00 175.17 174.71 2krt s ILE 63 N 1.51 5.15 -0.03 4.11 1.01 -1.26 -2.76 121.20 128.93 2krt s ILE 63 Ca 0.05 0.16 -0.01 0.00 0.00 0.00 0.00 60.65 60.85 2krt s ILE 63 Cb -0.15 -3.82 0.03 0.00 0.01 0.00 0.00 42.46 38.53 2krt s ILE 63 CO -0.00 -0.07 0.04 -0.54 0.00 0.00 0.00 174.94 174.37 2krt s LYS 64 N 2.07 -0.05 0.11 2.79 1.02 -1.25 -4.95 119.74 119.49 2krt s LYS 64 Ca 0.13 0.26 -0.12 0.00 0.02 0.00 0.00 55.97 56.26 2krt s LYS 64 Cb -0.16 -0.33 -0.06 0.00 -0.52 0.00 0.00 37.83 36.76 2krt s LYS 64 CO 0.12 -0.22 0.48 0.42 -0.92 0.00 0.00 175.35 175.22 2krt s ILE 65 N 1.43 4.97 0.00 2.17 1.01 -1.26 -0.57 121.20 128.95 2krt s ILE 65 Ca -0.05 0.65 0.00 0.00 0.00 0.00 0.00 60.65 61.25 2krt s ILE 65 Cb -0.13 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.65 2krt s ILE 65 CO -0.03 0.26 0.00 -0.38 0.00 0.00 0.00 174.94 174.79 2krt n ILE 66 N 0.84 0.00 -3.96 2.92 5.41 0.52 -4.94 119.36 120.15 2krt n ILE 66 Ca -0.07 0.00 -0.25 0.00 1.00 0.00 0.00 62.75 63.44 2krt n ILE 66 Cb 0.52 -0.16 -0.03 0.00 -0.71 0.00 0.00 39.64 39.26 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 1.00 6.27 -0.13 4.38 2.47 -1.25 -4.89 114.94 122.78 2krt s ASN 67 Ca 0.00 0.12 0.03 0.00 0.42 0.00 0.00 52.86 53.42 2krt s ASN 67 Cb 0.00 -1.86 0.01 0.00 -1.45 0.00 0.00 41.25 37.95 2krt s ASN 67 CO 0.00 0.02 -0.22 -0.36 -3.72 0.00 0.00 177.10 172.82 2krt s PHE 68 N -1.81 2.59 0.10 0.43 0.08 -1.26 -0.53 117.98 117.58 2krt s PHE 68 Ca 0.34 -1.27 0.10 0.00 0.12 0.00 0.00 56.93 56.23 2krt s PHE 68 Cb -0.10 -1.76 -0.04 0.00 -0.57 0.00 0.00 43.02 40.55 2krt s PHE 68 CO 0.28 -0.57 -0.26 -0.51 -0.10 0.00 0.00 175.22 174.06 2krt s LEU 69 N 0.76 2.31 0.33 -0.37 1.02 0.36 -4.97 118.68 118.12 2krt s LEU 69 Ca -0.09 -0.67 -0.27 0.00 0.02 0.00 0.00 54.13 53.12 2krt s LEU 69 Cb -0.16 -1.28 -0.09 0.00 0.02 0.00 0.00 46.19 44.68 2krt s LEU 69 CO -0.00 0.21 1.00 -0.31 0.02 0.00 0.00 176.35 177.26 2krt s TYR 70 N -0.98 3.60 0.00 0.29 2.02 -1.26 -0.60 117.35 120.41 2krt s TYR 70 Ca 0.14 1.75 0.00 0.00 -0.37 0.00 0.00 57.07 58.59 2krt s TYR 70 Cb -0.10 -3.05 0.00 0.00 -0.40 0.00 0.00 41.96 38.41 2krt s TYR 70 CO 0.05 -0.12 0.74 -0.35 -1.57 0.00 0.00 175.55 174.31 2krt n PRO 71 N 0.62 0.00 0.23 -1.71 -0.04 -1.26 -3.25 135.00 129.58 2krt n PRO 71 Ca 0.02 0.42 0.12 0.00 -0.04 0.00 0.00 63.50 64.01 2krt n PRO 71 Cb 0.49 -1.24 0.43 0.00 -0.04 0.00 0.00 33.50 33.13 2krt n PRO 71 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2krt h ASP 72 N 0.00 0.00 0.00 3.54 5.19 -1.95 -3.48 116.42 119.72 2krt h ASP 72 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2krt h ASP 72 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2krt h ASP 72 CO 0.00 0.13 0.00 0.61 -3.12 0.00 0.00 179.24 176.86 2krt n GLY 73 N 0.43 3.03 3.96 2.75 0.00 -1.20 -5.09 105.19 109.08 2krt n GLY 73 Ca 0.01 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 2krt n GLY 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2krt s ASP 74 N 0.00 5.01 0.27 1.61 1.11 -1.26 -4.50 116.67 118.91 2krt s ASP 74 Ca 0.00 0.09 -0.03 0.00 0.18 0.00 0.00 52.55 52.79 2krt s ASP 74 Cb 0.00 -0.84 0.37 0.00 1.07 0.00 0.00 42.92 43.52 2krt s ASP 74 CO 0.00 -1.38 1.92 2.19 1.18 0.00 0.00 175.17 179.08 2krt h PHE 75 N -0.22 1.18 -0.81 4.23 -0.00 -2.00 -2.18 116.94 117.14 2krt h PHE 75 Ca -0.42 0.03 0.05 0.00 -0.00 0.00 0.00 57.97 57.62 2krt h PHE 75 Cb 1.30 -0.40 -0.05 0.00 -0.00 0.00 0.00 35.95 36.80 2krt h PHE 75 CO 0.28 0.69 0.53 0.78 -0.00 0.00 0.00 178.31 180.59 2krt h GLY 76 N 1.23 1.14 0.64 6.09 0.00 -1.97 -2.58 103.07 107.62 2krt h GLY 76 Ca 0.38 -0.38 0.03 0.00 0.00 0.00 0.00 47.33 47.36 2krt h GLY 76 CO -0.11 0.31 -0.09 0.23 0.00 0.00 0.00 176.54 176.88 2krt h SER 77 N 0.95 -0.28 -0.84 0.19 0.87 -1.77 -1.07 113.55 111.60 2krt h SER 77 Ca 0.33 0.06 0.03 0.00 -1.23 0.00 0.00 61.79 60.98 2krt h SER 77 Cb 0.11 0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.17 2krt h SER 77 CO -0.11 -0.12 0.55 0.00 -0.53 0.00 0.00 176.83 176.63 2krt h ALA 78 N 0.98 1.47 0.02 6.23 0.00 -1.46 -1.23 119.26 125.28 2krt h ALA 78 Ca 0.07 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.69 2krt h ALA 78 Cb 0.21 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.70 2krt h ALA 78 CO -0.17 0.45 -1.01 -0.91 0.00 0.00 0.00 179.25 177.61 2krt h ASN 79 N 1.06 0.66 0.18 0.00 2.35 -1.26 0.50 115.58 119.08 2krt h ASN 79 Ca 0.33 -0.54 -0.25 0.00 -0.55 0.00 0.00 56.30 55.29 2krt h ASN 79 Cb 0.01 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 38.18 2krt h ASN 79 CO -0.09 1.35 -1.00 0.07 -1.65 0.00 0.00 177.43 176.11 2krt h LYS 80 N 0.27 0.55 0.02 0.81 2.10 -0.99 -2.07 116.57 117.25 2krt h LYS 80 Ca -0.11 -0.60 -0.33 0.00 -2.00 0.00 0.00 60.65 57.62 2krt h LYS 80 Cb 1.66 0.17 -0.05 0.00 -0.90 0.00 0.00 32.23 33.11 2krt h LYS 80 CO 0.18 1.22 -1.96 0.09 -2.00 0.00 0.00 179.45 176.97 2krt n ASN 81 N -3.79 0.91 -0.06 7.07 3.02 -0.48 -3.37 115.26 118.55 2krt n ASN 81 Ca -0.09 0.25 -0.01 0.00 -0.03 0.00 0.00 54.58 54.70 2krt n ASN 81 Cb 0.86 0.06 -0.00 0.00 -0.61 0.00 0.00 39.78 40.09 2krt n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2krt n GLY 82 N 1.71 0.47 3.87 7.41 0.00 0.17 -4.85 105.19 113.97 2krt n GLY 82 Ca -0.25 -0.22 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 2krt n GLY 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2krt s THR 83 N -1.91 4.80 -0.07 2.61 -4.23 -1.25 -1.40 115.64 114.19 2krt s THR 83 Ca 0.00 -1.06 -0.08 0.00 -1.18 0.00 0.00 61.69 59.37 2krt s THR 83 Cb 0.00 -3.52 0.02 0.00 1.34 0.00 0.00 72.50 70.34 2krt s THR 83 CO 0.00 -0.20 0.21 -0.22 -0.54 0.00 0.00 174.62 173.87 2krt s LEU 84 N -3.47 1.20 -0.42 4.79 2.96 0.02 -4.38 118.68 119.37 2krt s LEU 84 Ca 0.33 0.33 -0.15 0.00 -0.22 0.00 0.00 54.13 54.42 2krt s LEU 84 Cb -0.10 0.77 0.03 0.00 0.50 0.00 0.00 46.19 47.39 2krt s LEU 84 CO 0.26 -0.14 0.32 -0.54 -1.32 0.00 0.00 176.35 174.94 2krt s LYS 85 N -0.17 2.98 0.01 1.98 1.02 0.23 -2.74 119.74 123.06 2krt s LYS 85 Ca -0.03 -1.05 -0.20 0.00 0.02 0.00 0.00 55.97 54.72 2krt s LYS 85 Cb -0.03 -4.00 -0.06 0.00 -0.52 0.00 0.00 37.83 33.23 2krt s LYS 85 CO 0.01 -0.80 0.58 -0.51 -0.92 0.00 0.00 175.35 173.71 2krt s LEU 86 N 1.71 4.45 -0.56 3.17 1.02 -1.14 -0.49 118.68 126.84 2krt s LEU 86 Ca 0.05 1.18 -0.18 0.00 0.02 0.00 0.00 54.13 55.20 2krt s LEU 86 Cb -0.20 -2.90 0.10 0.00 0.02 0.00 0.00 46.19 43.21 2krt s LEU 86 CO 0.10 0.15 0.63 -0.44 0.02 0.00 0.00 176.35 176.81 2krt s SER 87 N -0.44 6.19 -0.08 2.29 0.01 0.31 -1.76 113.70 120.22 2krt s SER 87 Ca 0.30 -1.44 -0.11 0.00 1.31 0.00 0.00 55.95 56.01 2krt s SER 87 Cb -0.18 -2.27 -0.05 0.00 0.21 0.00 0.00 66.02 63.73 2krt s SER 87 CO 0.17 -1.00 0.26 -0.76 0.41 0.00 0.00 173.24 172.32 2krt s LEU 88 N 2.37 4.40 -0.42 2.44 1.02 -0.45 -0.36 118.68 127.68 2krt s LEU 88 Ca 0.09 0.66 -0.09 0.00 0.02 0.00 0.00 54.13 54.81 2krt s LEU 88 Cb -0.25 -2.30 0.08 0.00 0.02 0.00 0.00 46.19 43.74 2krt s LEU 88 CO 0.06 0.34 0.27 0.00 0.02 0.00 0.00 176.35 177.04 2krt s MET 89 N -0.86 2.62 -0.36 1.70 0.23 0.27 -0.39 119.30 122.51 2krt s MET 89 Ca 0.18 -1.46 -0.28 0.00 -1.03 0.00 0.00 55.69 53.11 2krt s MET 89 Cb -0.14 -3.80 0.02 0.00 -1.53 0.00 0.00 34.83 29.38 2krt s MET 89 CO 0.07 -0.96 1.02 -0.51 -2.03 0.00 0.00 175.02 172.61 2krt s LEU 90 N 1.43 3.92 -0.43 0.18 2.01 0.53 -3.74 118.68 122.58 2krt s LEU 90 Ca 0.03 0.76 -0.27 0.00 0.01 0.00 0.00 54.13 54.67 2krt s LEU 90 Cb -0.23 -3.42 0.02 0.00 0.01 0.00 0.00 46.19 42.57 2krt s LEU 90 CO 0.02 -0.92 0.99 -0.89 1.01 0.00 0.00 176.35 176.56 2krt s THR 91 N 3.69 4.44 -0.33 5.49 2.01 -1.11 -0.55 115.64 129.27 2krt s THR 91 Ca 0.43 1.06 -0.28 0.00 0.31 0.00 0.00 61.69 63.21 2krt s THR 91 Cb -0.11 -4.45 -0.04 0.00 0.01 0.00 0.00 72.50 67.91 2krt s THR 91 CO 0.19 -0.77 2.06 -1.81 -0.69 0.00 0.00 174.62 173.61 2krt s ASP 92 N 2.16 5.45 0.10 3.53 1.11 -0.34 -3.73 116.67 124.95 2krt s ASP 92 Ca 0.41 1.43 -0.24 0.00 0.18 0.00 0.00 52.55 54.32 2krt s ASP 92 Cb -0.10 -2.52 -0.12 0.00 1.07 0.00 0.00 42.92 41.25 2krt s ASP 92 CO 0.25 -2.04 1.71 0.11 1.18 0.00 0.00 175.17 176.38 2krt h LYS 93 N 14.92 -0.15 0.01 8.23 1.79 -1.88 0.52 116.57 140.01 2krt h LYS 93 Ca -0.35 0.01 -0.20 0.00 -2.18 0.00 0.00 60.65 57.94 2krt h LYS 93 Cb 1.21 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.87 2krt h LYS 93 CO 1.04 -0.10 -0.93 1.57 -1.08 0.00 0.00 179.45 179.95 2krt h LYS 94 N -0.15 0.02 0.00 3.15 -0.00 -1.91 -3.30 116.57 114.38 2krt h LYS 94 Ca 0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 60.65 60.63 2krt h LYS 94 Cb 0.16 0.01 0.00 0.00 -0.00 0.00 0.00 32.23 32.40 2krt h LYS 94 CO -0.04 0.93 -0.95 0.09 -0.00 0.00 0.00 179.45 179.49 2krt n ASN 95 N -3.47 0.63 -2.66 7.07 4.13 -1.16 -4.97 115.26 114.83 2krt n ASN 95 Ca -0.01 -0.19 -0.21 0.00 1.68 0.00 0.00 54.58 55.85 2krt n ASN 95 Cb 0.87 0.69 0.02 0.00 -1.54 0.00 0.00 39.78 39.82 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 -1.94 -5.83 -2.56 6.41 3.02 0.18 -5.00 115.26 109.53 2krt n ASN 96 Ca 0.02 -0.19 -0.05 0.00 -0.03 0.00 0.00 54.58 54.33 2krt n ASN 96 Cb 0.43 -4.71 0.00 0.00 -0.61 0.00 0.00 39.78 34.89 2krt n ASN 96 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2krt n GLN 97 N -3.55 1.24 -3.73 3.52 1.13 -1.14 -4.89 117.38 109.96 2krt n GLN 97 Ca -0.15 -0.66 -0.13 0.00 -1.94 0.00 0.00 57.00 54.12 2krt n GLN 97 Cb 0.64 0.04 -0.13 0.00 0.11 0.00 0.00 30.24 30.90 2krt n GLN 97 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2krt s VAL 98 N -0.33 -0.04 -0.17 5.09 0.11 -1.26 -1.19 120.40 122.60 2krt s VAL 98 Ca 0.08 0.14 0.01 0.00 -2.93 0.00 0.00 61.98 59.28 2krt s VAL 98 Cb -0.01 -0.36 0.02 0.00 -1.53 0.00 0.00 36.38 34.50 2krt s VAL 98 CO 0.05 0.06 -0.19 -0.47 -3.33 0.00 0.00 175.10 171.22 2krt s TYR 99 N 1.19 2.65 0.05 1.54 5.04 0.29 -4.93 117.35 123.18 2krt s TYR 99 Ca -0.09 -1.54 -0.27 0.00 -2.44 0.00 0.00 57.07 52.74 2krt s TYR 99 Cb -0.10 -1.85 -0.05 0.00 0.35 0.00 0.00 41.96 40.31 2krt s TYR 99 CO -0.08 -0.76 0.84 0.71 -1.34 0.00 0.00 175.55 174.92 2krt s TYR 100 N 1.28 3.73 -0.05 4.97 2.02 -1.26 -0.35 117.35 127.69 2krt s TYR 100 Ca 0.04 1.57 -0.01 0.00 -0.37 0.00 0.00 57.07 58.29 2krt s TYR 100 Cb -0.13 -2.92 0.03 0.00 -0.40 0.00 0.00 41.96 38.53 2krt s TYR 100 CO -0.12 0.20 0.02 0.21 -1.57 0.00 0.00 175.55 174.30 2krt s LYS 101 N 0.18 0.30 -0.07 -0.62 2.47 0.48 -4.98 119.74 117.50 2krt s LYS 101 Ca 0.42 0.21 -0.25 0.00 -1.56 0.00 0.00 55.97 54.79 2krt s LYS 101 Cb -0.21 -0.74 -0.03 0.00 -1.46 0.00 0.00 37.83 35.39 2krt s LYS 101 CO 0.25 -0.30 0.80 -0.51 0.16 0.00 0.00 175.35 175.76 2krt s LEU 102 N 1.96 4.30 0.04 5.43 2.01 -1.26 -1.34 118.68 129.81 2krt s LEU 102 Ca 0.03 1.30 0.04 0.00 0.01 0.00 0.00 54.13 55.52 2krt s LEU 102 Cb -0.12 -3.24 -0.04 0.00 0.01 0.00 0.00 46.19 42.80 2krt s LEU 102 CO -0.04 -0.22 -0.05 -0.76 1.01 0.00 0.00 176.35 176.29 2krt s LEU 103 N 1.18 3.26 -0.47 1.79 1.43 -0.72 -4.96 118.68 120.20 2krt s LEU 103 Ca 0.41 -0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 53.23 2krt s LEU 103 Cb -0.18 -1.93 0.10 0.00 0.03 0.00 0.00 46.19 44.21 2krt s LEU 103 CO 0.19 0.24 0.36 -1.83 0.23 0.00 0.00 176.35 175.55 2krt s GLU 104 N -1.75 2.73 0.29 1.70 4.04 -1.26 -2.90 118.70 121.54 2krt s GLU 104 Ca 0.20 -1.57 0.08 0.00 0.04 0.00 0.00 54.97 53.71 2krt s GLU 104 Cb -0.11 -4.00 -0.06 0.00 0.02 0.00 0.00 34.13 29.98 2krt s GLU 104 CO 0.11 -1.11 -0.08 0.14 -1.84 0.00 0.00 175.26 172.48 2krt s VAL 105 N 1.49 1.81 0.39 1.83 -7.23 -1.11 -5.00 120.40 112.59 2krt s VAL 105 Ca 0.04 -2.16 0.04 0.00 -1.81 0.00 0.00 61.98 58.08 2krt s VAL 105 Cb -0.26 -2.45 -0.03 0.00 0.56 0.00 0.00 36.38 34.20 2krt s VAL 105 CO 0.02 -0.31 0.11 -0.94 -0.31 0.00 0.00 175.10 173.67 2krt s SER 106 N -3.47 2.73 0.00 4.85 1.04 -1.26 -0.80 113.70 116.79 2krt s SER 106 Ca 0.30 -1.61 0.00 0.00 0.48 0.00 0.00 55.95 55.12 2krt s SER 106 Cb 0.03 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.52 2krt s SER 106 CO 0.13 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.10 2krt n GLY 107 N -0.87 0.88 0.07 7.32 0.00 -0.49 -4.92 105.19 107.17 2krt n GLY 107 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.64 0.57 -3.67 1.61 3.01 -0.63 -4.11 117.46 113.60 2krt n PHE 108 Ca 0.00 0.16 -0.01 0.00 1.01 0.00 0.00 57.45 58.62 2krt n PHE 108 Cb 0.00 -0.67 -0.01 0.00 -0.01 0.00 0.00 39.48 38.79 2krt n PHE 108 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2krt s LYS 109 N -3.15 0.71 -0.46 -1.08 2.47 -1.24 -4.50 119.74 112.49 2krt s LYS 109 Ca 0.07 -0.39 0.06 0.00 -1.56 0.00 0.00 55.97 54.15 2krt s LYS 109 Cb 0.14 0.25 0.30 0.00 -1.46 0.00 0.00 37.83 37.05 2krt s LYS 109 CO 0.70 -0.32 1.08 -1.13 0.16 0.00 0.00 175.35 175.83 2krt n SER 110 N -0.46 -2.44 -3.52 1.43 3.41 -1.25 -3.82 113.62 106.97 2krt n SER 110 Ca -0.07 -3.55 -0.27 0.00 -0.26 0.00 0.00 58.87 54.72 2krt n SER 110 Cb 0.62 1.89 -0.09 0.00 -0.26 0.00 0.00 64.21 66.36 2krt n SER 110 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2krt n ASN 111 N 0.67 2.44 0.05 4.04 4.13 -0.78 -4.95 115.26 120.86 2krt n ASN 111 Ca 0.06 -3.12 -0.13 0.00 1.68 0.00 0.00 54.58 53.07 2krt n ASN 111 Cb 0.69 -0.68 -0.03 0.00 -1.54 0.00 0.00 39.78 38.21 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 4.67 0.47 0.00 3.52 0.13 -1.78 -3.30 132.00 135.72 2krt h PRO 112 Ca 0.17 -0.46 -0.31 0.00 -0.87 0.00 0.00 66.00 64.54 2krt h PRO 112 Cb 0.75 0.12 -0.05 0.00 0.13 0.00 0.00 31.00 31.95 2krt h PRO 112 CO 0.68 1.10 -2.16 2.48 -0.23 0.00 0.00 178.00 179.88 2krt n TYR 113 N -3.80 0.00 0.17 1.56 4.11 -1.26 -4.28 117.16 113.67 2krt n TYR 113 Ca -0.06 0.00 -0.17 0.00 -0.00 0.00 0.00 57.90 57.67 2krt n TYR 113 Cb 0.80 -0.78 -0.10 0.00 -0.00 0.00 0.00 39.34 39.26 2krt n TYR 113 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.86 176.79 2krt h LEU 114 N -0.01 -1.51 -2.84 -3.48 3.38 -1.95 -2.17 115.31 106.74 2krt h LEU 114 Ca -0.45 0.15 -0.19 0.00 0.09 0.00 0.00 57.88 57.47 2krt h LEU 114 Cb 1.70 0.54 -0.11 0.00 0.09 0.00 0.00 40.66 42.88 2krt h LEU 114 CO -0.07 -0.59 0.24 -0.62 0.09 0.00 0.00 178.44 177.49 2krt n GLU 115 N -5.45 2.06 -2.87 1.13 1.02 -1.24 -4.77 120.64 110.51 2krt n GLU 115 Ca -0.10 -1.59 -0.43 0.00 -0.02 0.00 0.00 57.16 55.02 2krt n GLU 115 Cb 0.43 -1.70 -0.03 0.00 -0.02 0.00 0.00 31.44 30.12 2krt n GLU 115 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2krt s HIS 116 N -1.78 3.00 -0.02 -0.32 2.46 -0.82 -4.67 115.29 113.15 2krt s HIS 116 Ca 0.29 -1.25 0.03 0.00 0.47 0.00 0.00 55.06 54.60 2krt s HIS 116 Cb 0.24 -4.34 0.04 0.00 -0.13 0.00 0.00 32.58 28.39 2krt s HIS 116 CO 0.06 -1.56 0.82 0.72 -2.47 0.00 0.00 174.74 172.31 2krt n HIS 117 N 6.96 0.00 -3.90 3.88 8.25 -1.26 -4.97 115.22 124.18 2krt n HIS 117 Ca 0.23 -0.25 -0.30 0.00 -0.26 0.00 0.00 57.72 57.14 2krt n HIS 117 Cb 0.49 -0.04 -0.15 0.00 1.12 0.00 0.00 29.99 31.41 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 -0.61 2.91 -0.91 4.41 3.76 -1.26 -4.92 115.29 118.67 2krt s HIS 118 Ca 0.04 -2.61 0.25 0.00 -0.15 0.00 0.00 55.06 52.59 2krt s HIS 118 Cb 0.04 -2.46 0.46 0.00 1.11 0.00 0.00 32.58 31.73 2krt s HIS 118 CO 0.00 -0.88 1.38 -2.39 -0.85 0.00 0.00 174.74 172.00 2krt n HIS 119 N 4.18 0.12 -4.98 1.40 1.44 -1.26 -4.84 115.22 111.28 2krt n HIS 119 Ca 0.03 0.04 -0.27 0.00 -2.01 0.00 0.00 57.72 55.50 2krt n HIS 119 Cb 0.40 -0.34 -0.16 0.00 0.12 0.00 0.00 29.99 30.00 2krt n HIS 119 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2krt s HIS 120 N -3.04 1.86 0.00 -1.40 5.65 -1.26 -5.33 115.29 111.77 2krt s HIS 120 Ca 0.10 -0.43 0.00 0.00 0.25 0.00 0.00 55.06 54.97 2krt s HIS 120 Cb 0.17 -1.22 0.00 0.00 -1.18 0.00 0.00 32.58 30.35 2krt s HIS 120 CO 0.71 -0.09 0.26 -2.39 -0.65 0.00 0.00 174.74 172.57