#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 3.96 0.38 -0.89 2.01 -1.26 -5.01 118.68 117.87 2krt s LEU 2 Ca 0.00 -1.37 0.07 0.00 0.01 0.00 0.00 54.13 52.84 2krt s LEU 2 Cb 0.00 -2.50 -0.01 0.00 0.01 0.00 0.00 46.19 43.69 2krt s LEU 2 CO 0.00 -1.44 0.48 -0.55 1.01 0.00 0.00 176.35 175.84 2krt s SER 3 N 4.25 5.67 -0.26 2.29 0.15 -1.26 -5.13 113.70 119.40 2krt s SER 3 Ca 0.37 -0.37 -0.10 0.00 0.70 0.00 0.00 55.95 56.56 2krt s SER 3 Cb -0.05 -0.92 0.11 0.00 -1.71 0.00 0.00 66.02 63.45 2krt s SER 3 CO -0.03 -0.57 0.58 0.00 1.20 0.00 0.00 173.24 174.42 2krt s GLN 4 N -4.21 0.51 0.00 5.44 -2.07 -1.26 -5.09 119.66 112.98 2krt s GLN 4 Ca 0.49 1.28 0.00 0.00 -1.82 0.00 0.00 55.36 55.31 2krt s GLN 4 Cb -0.09 0.60 0.00 0.00 -1.09 0.00 0.00 33.01 32.43 2krt s GLN 4 CO 0.31 -0.21 0.00 0.00 -1.32 0.00 0.00 175.29 174.07 2krt n ALA 5 N 5.25 0.00 -0.10 2.60 0.00 -1.26 -4.98 120.51 122.02 2krt n ALA 5 Ca -0.12 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.28 2krt n ALA 5 Cb 0.51 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.14 2krt n ALA 5 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2krt h ASN 6 N 0.00 0.73 -0.52 0.00 -0.26 -2.02 -2.56 115.58 110.96 2krt h ASN 6 Ca 0.00 -0.16 -0.07 0.00 -0.56 0.00 0.00 56.30 55.50 2krt h ASN 6 Cb 0.00 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.04 2krt h ASN 6 CO 0.00 0.78 0.06 1.05 -1.06 0.00 0.00 177.43 178.27 2krt h GLU 7 N 0.72 0.92 -0.57 0.81 4.11 -2.00 -3.01 114.58 115.56 2krt h GLU 7 Ca 0.14 -0.24 -0.03 0.00 0.07 0.00 0.00 59.36 59.30 2krt h GLU 7 Cb 0.42 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2krt h GLU 7 CO 0.02 0.87 0.21 -0.44 0.07 0.00 0.00 179.01 179.74 2krt h ASP 8 N 0.86 0.76 0.69 3.06 3.32 -1.84 0.38 116.42 123.65 2krt h ASP 8 Ca 0.17 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 2krt h ASP 8 Cb 0.42 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.78 2krt h ASP 8 CO 0.01 0.69 -0.33 -0.26 -1.72 0.00 0.00 179.24 177.64 2krt h PHE 9 N 0.81 -0.85 -0.41 4.55 0.04 -1.42 -1.76 116.94 117.91 2krt h PHE 9 Ca 0.19 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.92 2krt h PHE 9 Cb 0.19 0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 2krt h PHE 9 CO 0.01 -0.51 0.15 1.57 -0.60 0.00 0.00 178.31 178.93 2krt h LYS 10 N -1.01 0.58 -0.19 1.51 2.10 -1.46 -2.86 116.57 115.24 2krt h LYS 10 Ca -0.09 -0.08 0.05 0.00 -2.00 0.00 0.00 60.65 58.52 2krt h LYS 10 Cb 0.73 -0.11 -0.05 0.00 -0.90 0.00 0.00 32.23 31.90 2krt h LYS 10 CO 0.15 0.50 -0.12 -0.22 -2.00 0.00 0.00 179.45 177.77 2krt h LYS 11 N 0.58 -0.10 -0.31 0.07 3.64 -0.09 -1.80 116.57 118.55 2krt h LYS 11 Ca 0.14 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.56 2krt h LYS 11 Cb 0.14 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 2krt h LYS 11 CO -0.01 -0.07 0.09 0.82 -2.27 0.00 0.00 179.45 178.01 2krt h ILE 12 N -0.11 0.90 -0.84 2.00 2.04 -1.09 0.11 117.51 120.51 2krt h ILE 12 Ca 0.11 -0.08 0.11 0.00 1.00 0.00 0.00 64.86 66.01 2krt h ILE 12 Cb 0.27 0.66 -0.06 0.00 -0.74 0.00 0.00 36.82 36.95 2krt h ILE 12 CO -0.26 0.04 0.55 0.58 0.00 0.00 0.00 178.15 179.06 2krt h VAL 13 N 0.22 0.91 0.12 1.67 2.07 -1.32 -0.77 116.25 119.15 2krt h VAL 13 Ca 0.14 -0.25 -0.27 0.00 0.82 0.00 0.00 66.70 67.14 2krt h VAL 13 Cb 0.12 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 2krt h VAL 13 CO -0.15 0.13 -1.22 0.78 0.02 0.00 0.00 177.57 177.13 2krt h ASN 14 N 0.74 0.39 -0.28 0.57 2.35 -0.88 -3.31 115.58 115.16 2krt h ASN 14 Ca 0.40 -0.42 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2krt h ASN 14 Cb 0.54 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.79 2krt h ASN 14 CO -0.17 1.33 0.00 0.59 -1.65 0.00 0.00 177.43 177.53 2krt n ASN 15 N -3.52 2.16 -4.66 5.81 3.02 0.35 -4.89 115.26 113.54 2krt n ASN 15 Ca -0.08 -2.16 -0.42 0.00 -0.03 0.00 0.00 54.58 51.89 2krt n ASN 15 Cb 1.02 -0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 39.80 2krt n ASN 15 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2krt s ILE 16 N -1.65 3.25 0.01 2.41 1.01 -0.42 -4.84 121.20 120.97 2krt s ILE 16 Ca 0.21 0.30 0.04 0.00 0.00 0.00 0.00 60.65 61.20 2krt s ILE 16 Cb 0.13 -3.20 -0.01 0.00 0.01 0.00 0.00 42.46 39.39 2krt s ILE 16 CO 0.11 -0.03 -0.12 -0.60 0.00 0.00 0.00 174.94 174.29 2krt s ARG 17 N 4.37 0.93 0.00 2.79 6.06 -1.26 -4.96 118.95 126.88 2krt s ARG 17 Ca 0.83 -0.52 0.07 0.00 -2.50 0.00 0.00 55.73 53.61 2krt s ARG 17 Cb -0.38 -0.91 0.42 0.00 0.06 0.00 0.00 34.95 34.15 2krt s ARG 17 CO 0.36 0.24 0.96 1.47 -2.50 0.00 0.00 175.30 175.84 2krt n LEU 18 N 2.51 0.00 -0.02 -0.88 -0.00 -1.26 -0.83 117.00 116.52 2krt n LEU 18 Ca -0.15 0.09 0.02 0.00 -0.00 0.00 0.00 56.01 55.96 2krt n LEU 18 Cb 0.56 -0.09 -0.07 0.00 -0.00 0.00 0.00 43.42 43.82 2krt n LEU 18 CO 0.24 -0.07 -0.66 0.29 -0.00 0.00 0.00 177.39 177.19 2krt n LYS 19 N -1.09 1.03 -0.06 1.47 4.76 -1.26 -4.62 118.16 118.39 2krt n LYS 19 Ca 0.05 -0.06 -0.05 0.00 -2.87 0.00 0.00 58.31 55.39 2krt n LYS 19 Cb 0.04 -1.22 -0.02 0.00 -1.84 0.00 0.00 35.03 31.99 2krt n LYS 19 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2krt n ASP 20 N -1.98 1.56 -0.07 4.39 2.03 -0.04 -4.84 116.55 117.60 2krt n ASP 20 Ca -0.06 0.53 -0.10 0.00 0.52 0.00 0.00 54.79 55.69 2krt n ASP 20 Cb 0.41 -0.80 -0.07 0.00 -0.72 0.00 0.00 41.12 39.95 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 -0.85 0.73 -4.64 5.18 2.02 -1.29 -3.39 112.91 110.67 2krt h THR 21 Ca 0.00 -1.65 -0.36 0.00 0.77 0.00 0.00 66.41 65.16 2krt h THR 21 Cb 0.51 1.48 -0.12 0.00 -1.74 0.00 0.00 68.15 68.27 2krt h THR 21 CO 0.00 0.25 -0.45 0.72 0.37 0.00 0.00 175.52 176.40 2krt s PHE 22 N -2.06 1.43 -0.09 3.16 -0.71 -1.24 -0.61 117.98 117.86 2krt s PHE 22 Ca -0.15 -1.49 0.01 0.00 -1.04 0.00 0.00 56.93 54.26 2krt s PHE 22 Cb 0.01 -0.53 0.02 0.00 -1.21 0.00 0.00 43.02 41.31 2krt s PHE 22 CO 0.38 -0.87 -0.11 0.34 -1.34 0.00 0.00 175.22 173.62 2krt s ASP 23 N -3.28 1.98 0.15 1.98 2.15 -0.80 -4.26 116.67 114.60 2krt s ASP 23 Ca 0.38 -0.31 0.06 0.00 0.43 0.00 0.00 52.55 53.11 2krt s ASP 23 Cb 0.03 -0.85 -0.04 0.00 -0.30 0.00 0.00 42.92 41.76 2krt s ASP 23 CO 0.22 -0.03 0.03 0.72 -0.17 0.00 0.00 175.17 175.94 2krt s PHE 24 N 1.11 2.94 -0.00 -5.34 -0.71 -1.26 -0.03 117.98 114.69 2krt s PHE 24 Ca -0.06 -0.09 0.02 0.00 -1.04 0.00 0.00 56.93 55.76 2krt s PHE 24 Cb -0.14 -1.44 -0.00 0.00 -1.21 0.00 0.00 43.02 40.22 2krt s PHE 24 CO -0.02 0.51 -0.05 0.21 -1.34 0.00 0.00 175.22 174.53 2krt s LYS 25 N -2.85 0.42 -0.13 1.99 2.20 -0.42 -5.00 119.74 115.95 2krt s LYS 25 Ca 0.28 -0.21 -0.07 0.00 -0.36 0.00 0.00 55.97 55.62 2krt s LYS 25 Cb -0.10 -0.40 -0.04 0.00 -1.51 0.00 0.00 37.83 35.78 2krt s LYS 25 CO 0.20 0.11 0.11 -0.51 -0.36 0.00 0.00 175.35 174.89 2krt s LEU 26 N -0.18 4.17 0.30 5.43 2.01 -1.20 -1.71 118.68 127.51 2krt s LEU 26 Ca 0.02 0.34 0.06 0.00 0.01 0.00 0.00 54.13 54.56 2krt s LEU 26 Cb -0.02 -2.02 0.76 0.00 0.01 0.00 0.00 46.19 44.92 2krt s LEU 26 CO -0.00 0.35 1.77 0.00 1.01 0.00 0.00 176.35 179.48 2krt h ALA 27 N 5.39 1.68 0.00 4.21 0.00 -1.24 0.35 119.26 129.65 2krt h ALA 27 Ca -0.51 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2krt h ALA 27 Cb 1.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2krt h ALA 27 CO 0.61 -0.09 -0.38 0.00 0.00 0.00 0.00 179.25 179.39 2krt n ALA 28 N -2.33 2.84 -3.74 0.00 0.00 -1.26 -4.50 120.51 111.52 2krt n ALA 28 Ca 0.24 -0.20 -0.28 0.00 0.00 0.00 0.00 53.44 53.20 2krt n ALA 28 Cb 0.60 -1.27 -0.12 0.00 0.00 0.00 0.00 19.45 18.67 2krt n ALA 28 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2krt s PHE 29 N -3.09 2.70 0.01 0.00 0.08 0.11 -4.94 117.98 112.84 2krt s PHE 29 Ca 0.09 -2.96 -0.06 0.00 0.12 0.00 0.00 56.93 54.12 2krt s PHE 29 Cb 0.15 -2.13 -0.29 0.00 -0.57 0.00 0.00 43.02 40.18 2krt s PHE 29 CO 0.66 -0.66 0.89 -1.00 -0.10 0.00 0.00 175.22 175.01 2krt h PRO 30 N 5.64 0.32 -0.23 0.24 0.13 -1.78 -3.17 132.00 133.14 2krt h PRO 30 Ca 0.16 -0.54 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2krt h PRO 30 Cb 0.82 0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2krt h PRO 30 CO 0.60 1.21 0.00 0.09 -0.23 0.00 0.00 178.00 179.66 2krt n ASN 31 N -3.52 3.08 -4.76 1.44 5.03 -1.26 -4.99 115.26 110.27 2krt n ASN 31 Ca -0.17 -2.49 -0.34 0.00 0.87 0.00 0.00 54.58 52.45 2krt n ASN 31 Cb 1.05 -0.33 -0.08 0.00 -1.02 0.00 0.00 39.78 39.40 2krt n ASN 31 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2krt s GLN 32 N -1.87 3.08 -0.13 3.52 -1.52 -1.26 -5.11 119.66 116.38 2krt s GLN 32 Ca 0.28 -0.41 -0.06 0.00 -1.95 0.00 0.00 55.36 53.22 2krt s GLN 32 Cb 0.20 -2.88 -0.04 0.00 -0.22 0.00 0.00 33.01 30.07 2krt s GLN 32 CO 0.10 0.69 0.10 1.21 -0.25 0.00 0.00 175.29 177.13 2krt s ASN 33 N -1.33 6.03 0.60 5.90 3.84 -1.26 -4.98 114.94 123.74 2krt s ASN 33 Ca 0.18 0.33 0.29 0.00 0.21 0.00 0.00 52.86 53.87 2krt s ASN 33 Cb -0.12 -1.92 1.48 0.00 -0.55 0.00 0.00 41.25 40.14 2krt s ASN 33 CO 0.08 0.35 1.88 0.10 -2.79 0.00 0.00 177.10 176.73 2krt h TYR 34 N 5.37 0.00 -0.52 0.43 -0.00 -1.93 -0.76 116.97 119.57 2krt h TYR 34 Ca -0.51 0.00 0.15 0.00 0.00 0.00 0.00 58.73 58.37 2krt h TYR 34 Cb 1.21 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.91 2krt h TYR 34 CO 0.69 0.00 0.37 0.22 -0.00 0.00 0.00 178.16 179.44 2krt h ASP 35 N 0.00 0.02 -0.00 0.10 3.58 -1.94 -2.94 116.42 115.24 2krt h ASP 35 Ca 0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2krt h ASP 35 Cb 1.10 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.15 2krt h ASP 35 CO -0.00 0.01 -0.04 0.00 -2.88 0.00 0.00 179.24 176.33 2krt n GLN 36 N -4.39 1.60 -3.59 0.28 1.13 -0.31 -3.08 117.38 109.03 2krt n GLN 36 Ca 0.09 -0.44 -0.37 0.00 -1.94 0.00 0.00 57.00 54.34 2krt n GLN 36 Cb 0.58 -0.91 -0.09 0.00 0.11 0.00 0.00 30.24 29.93 2krt n GLN 36 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2krt s LEU 37 N -0.84 4.13 0.39 1.08 2.01 -1.11 -4.89 118.68 119.46 2krt s LEU 37 Ca 0.02 0.22 -0.25 0.00 0.01 0.00 0.00 54.13 54.14 2krt s LEU 37 Cb 0.02 -2.21 -0.09 0.00 0.01 0.00 0.00 46.19 43.92 2krt s LEU 37 CO 0.05 0.03 1.15 -0.76 1.01 0.00 0.00 176.35 177.83 2krt s LEU 38 N 1.09 4.20 0.27 1.79 1.43 -1.26 -4.67 118.68 121.54 2krt s LEU 38 Ca 0.11 2.29 -0.06 0.00 -1.03 0.00 0.00 54.13 55.43 2krt s LEU 38 Cb -0.14 -4.03 0.49 0.00 0.03 0.00 0.00 46.19 42.54 2krt s LEU 38 CO 0.05 -0.62 1.59 -0.65 0.23 0.00 0.00 176.35 176.95 2krt h PRO 39 N 2.68 0.02 -0.05 1.29 0.11 -1.92 0.11 132.00 134.24 2krt h PRO 39 Ca -0.49 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 2krt h PRO 39 Cb 1.23 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 2krt h PRO 39 CO 0.63 0.01 -0.05 0.77 -0.21 0.00 0.00 178.00 179.15 2krt h SER 40 N 0.02 0.06 0.12 -2.05 0.02 -1.97 -2.44 113.55 107.31 2krt h SER 40 Ca 0.47 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.41 2krt h SER 40 Cb 0.80 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.33 2krt h SER 40 CO -0.88 0.12 -0.06 1.56 -1.14 0.00 0.00 176.83 176.44 2krt h GLN 41 N 0.07 -0.15 -0.65 3.45 1.08 -1.15 -3.32 115.11 114.45 2krt h GLN 41 Ca 0.02 0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.17 2krt h GLN 41 Cb 0.13 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.57 2krt h GLN 41 CO 0.01 0.30 0.17 0.82 -0.95 0.00 0.00 178.83 179.18 2krt h ILE 42 N -0.68 1.25 -0.90 2.54 2.04 -1.42 -3.12 117.51 117.23 2krt h ILE 42 Ca -0.02 -0.91 0.18 0.00 1.00 0.00 0.00 64.86 65.11 2krt h ILE 42 Cb 0.52 0.61 -0.11 0.00 -0.74 0.00 0.00 36.82 37.10 2krt h ILE 42 CO 0.03 0.35 0.47 0.22 0.00 0.00 0.00 178.15 179.21 2krt h TYR 43 N 0.95 0.81 0.00 1.37 3.20 -1.55 -2.31 116.97 119.45 2krt h TYR 43 Ca 0.21 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.11 2krt h TYR 43 Cb 0.34 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.38 2krt h TYR 43 CO 0.03 0.13 0.00 1.63 -1.64 0.00 0.00 178.16 178.31 2krt n LYS 44 N -4.89 0.04 -0.01 1.82 5.02 -1.18 -1.72 118.16 117.24 2krt n LYS 44 Ca 0.20 0.32 0.13 0.00 -2.02 0.00 0.00 58.31 56.94 2krt n LYS 44 Cb 0.53 -1.50 0.33 0.00 -0.02 0.00 0.00 35.03 34.37 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 -1.39 2.22 -0.22 4.39 5.03 -0.87 -4.42 115.26 120.00 2krt n ASN 45 Ca 0.02 -1.74 0.13 0.00 0.87 0.00 0.00 54.58 53.86 2krt n ASN 45 Cb 0.05 -0.01 0.43 0.00 -1.02 0.00 0.00 39.78 39.23 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 3.43 0.67 0.00 3.10 -0.00 -1.53 -0.61 116.97 122.03 2krt h TYR 46 Ca 0.00 0.02 -0.17 0.00 -0.00 0.00 0.00 58.73 58.58 2krt h TYR 46 Cb 0.73 -0.21 -0.03 0.00 -0.00 0.00 0.00 36.73 37.22 2krt h TYR 46 CO 0.01 0.26 -1.04 -0.92 -0.00 0.00 0.00 178.16 176.47 2krt h TYR 47 N 0.58 0.00 -0.01 0.10 3.20 -1.85 -3.37 116.97 115.61 2krt h TYR 47 Ca 0.41 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.23 2krt h TYR 47 Cb 0.75 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.03 2krt h TYR 47 CO -0.00 0.72 -0.17 1.96 -1.64 0.00 0.00 178.16 179.02 2krt h GLN 48 N 0.00 0.14 0.00 1.82 1.08 -1.42 -3.49 115.11 113.24 2krt h GLN 48 Ca -0.09 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 56.98 2krt h GLN 48 Cb 1.62 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 29.09 2krt h GLN 48 CO 0.08 0.85 0.00 0.41 -0.95 0.00 0.00 178.83 179.22 2krt n GLY 49 N 0.93 3.16 2.99 3.46 0.00 -0.54 -4.91 105.19 110.27 2krt n GLY 49 Ca -0.09 0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 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 1.31 -0.08 -0.61 1.01 -1.26 -0.74 121.20 120.82 2krt s ILE 50 Ca 0.00 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.17 2krt s ILE 50 Cb 0.00 -1.25 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 2krt s ILE 50 CO 0.00 0.41 -0.09 -1.61 0.00 0.00 0.00 174.94 173.65 2krt s GLU 51 N 1.37 2.88 -0.17 2.79 2.02 -0.70 -4.97 118.70 121.93 2krt s GLU 51 Ca 0.00 -0.61 -0.04 0.00 0.02 0.00 0.00 54.97 54.35 2krt s GLU 51 Cb -0.13 -2.57 -0.03 0.00 0.10 0.00 0.00 34.13 31.49 2krt s GLU 51 CO -0.06 0.54 -0.02 0.42 0.02 0.00 0.00 175.26 176.16 2krt s ILE 52 N -0.48 4.02 -0.44 -1.63 -1.09 -1.26 -1.31 121.20 119.01 2krt s ILE 52 Ca 0.07 -0.31 -0.16 0.00 -2.23 0.00 0.00 60.65 58.02 2krt s ILE 52 Cb -0.12 -2.78 0.04 0.00 -1.58 0.00 0.00 42.46 38.03 2krt s ILE 52 CO 0.02 0.48 0.37 -1.58 -1.23 0.00 0.00 174.94 173.00 2krt s GLN 53 N 0.46 2.99 -0.07 2.79 2.00 0.96 -4.98 119.66 123.81 2krt s GLN 53 Ca -0.02 -1.13 -0.30 0.00 -2.00 0.00 0.00 55.36 51.91 2krt s GLN 53 Cb -0.14 -4.05 -0.03 0.00 0.80 0.00 0.00 33.01 29.59 2krt s GLN 53 CO 0.02 -0.90 1.21 -0.65 -0.50 0.00 0.00 175.29 174.48 2krt s GLN 54 N 1.75 4.33 0.04 1.67 -0.21 -1.26 -1.90 119.66 124.08 2krt s GLN 54 Ca 0.06 1.68 0.00 0.00 0.02 0.00 0.00 55.36 57.12 2krt s GLN 54 Cb -0.21 -3.59 0.00 0.00 1.00 0.00 0.00 33.01 30.21 2krt s GLN 54 CO 0.09 -0.49 0.00 1.58 -2.12 0.00 0.00 175.29 174.35 2krt n HIS 55 N 5.40 -0.26 -3.67 0.91 -0.00 -1.19 -5.00 115.22 111.40 2krt n HIS 55 Ca 0.11 0.05 -0.38 0.00 -0.00 0.00 0.00 57.72 57.50 2krt n HIS 55 Cb 0.46 0.23 -0.12 0.00 -0.00 0.00 0.00 29.99 30.57 2krt n HIS 55 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 2krt s LYS 56 N -1.21 3.68 -1.37 1.57 2.36 0.22 -4.55 119.74 120.44 2krt s LYS 56 Ca 0.00 -0.48 -0.01 0.00 -2.55 0.00 0.00 55.97 52.93 2krt s LYS 56 Cb 0.00 -3.50 0.01 0.00 -1.05 0.00 0.00 37.83 33.29 2krt s LYS 56 CO 0.00 -0.24 0.60 0.66 1.55 0.00 0.00 175.35 177.92 2krt n TYR 57 N 4.99 -1.82 -0.39 4.03 4.02 -1.26 -4.79 117.16 121.93 2krt n TYR 57 Ca -0.15 0.81 0.09 0.00 -0.01 0.00 0.00 57.90 58.63 2krt n TYR 57 Cb 0.51 -4.07 0.26 0.00 -0.02 0.00 0.00 39.34 36.01 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 -4.35 3.00 0.05 -0.72 1.13 -1.26 -4.35 117.38 110.88 2krt n GLN 58 Ca -0.28 -2.48 -0.21 0.00 -1.94 0.00 0.00 57.00 52.09 2krt n GLN 58 Cb 0.67 -1.53 -0.15 0.00 0.11 0.00 0.00 30.24 29.34 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 3.13 0.50 1.14 1.08 -0.73 -1.94 -3.38 115.58 115.37 2krt h ASN 59 Ca 0.00 -0.91 -0.16 0.00 1.87 0.00 0.00 56.30 57.10 2krt h ASN 59 Cb 1.01 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 39.42 2krt h ASN 59 CO 0.06 1.53 -0.89 -0.08 -0.37 0.00 0.00 177.43 177.68 2krt h GLU 60 N -0.26 0.00 -4.35 6.67 4.57 -1.97 -3.45 114.58 115.80 2krt h GLU 60 Ca -0.22 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.64 2krt h GLU 60 Cb 1.77 0.00 -0.28 0.00 -0.16 0.00 0.00 28.75 30.09 2krt h GLU 60 CO 0.14 0.59 -0.75 -0.48 -1.18 0.00 0.00 179.01 177.33 2krt s LEU 61 N -6.37 2.03 -0.16 1.64 2.34 -1.26 -1.81 118.68 115.09 2krt s LEU 61 Ca 0.01 -0.14 -0.07 0.00 0.06 0.00 0.00 54.13 54.00 2krt s LEU 61 Cb 0.08 -0.27 -0.04 0.00 -0.56 0.00 0.00 46.19 45.40 2krt s LEU 61 CO 0.78 0.04 0.08 -0.62 -1.06 0.00 0.00 176.35 175.57 2krt s ASP 62 N -0.25 5.78 -0.19 1.48 2.15 -0.60 -4.46 116.67 120.58 2krt s ASP 62 Ca 0.01 0.17 -0.05 0.00 0.43 0.00 0.00 52.55 53.12 2krt s ASP 62 Cb -0.03 -1.93 -0.03 0.00 -0.30 0.00 0.00 42.92 40.63 2krt s ASP 62 CO -0.00 0.24 -0.01 -0.63 -0.17 0.00 0.00 175.17 174.60 2krt s ILE 63 N -0.03 3.94 -0.02 4.11 1.01 -1.26 -1.56 121.20 127.39 2krt s ILE 63 Ca 0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 60.65 60.38 2krt s ILE 63 Cb -0.12 -2.77 0.01 0.00 0.01 0.00 0.00 42.46 39.59 2krt s ILE 63 CO 0.01 0.45 0.04 -0.54 0.00 0.00 0.00 174.94 174.89 2krt s LYS 64 N 0.82 0.04 -0.14 2.79 1.02 -1.23 -4.88 119.74 118.16 2krt s LYS 64 Ca 0.00 0.07 -0.17 0.00 0.02 0.00 0.00 55.97 55.89 2krt s LYS 64 Cb -0.14 -0.00 -0.04 0.00 -0.52 0.00 0.00 37.83 37.12 2krt s LYS 64 CO 0.02 -0.02 0.42 0.42 -0.92 0.00 0.00 175.35 175.27 2krt s ILE 65 N 0.12 5.22 -0.16 2.17 1.01 -1.26 -1.14 121.20 127.16 2krt s ILE 65 Ca -0.01 0.82 -0.12 0.00 0.00 0.00 0.00 60.65 61.34 2krt s ILE 65 Cb -0.01 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.65 2krt s ILE 65 CO -0.00 0.33 -0.19 -0.38 0.00 0.00 0.00 174.94 174.69 2krt n ILE 66 N 3.76 1.44 -4.05 2.92 5.41 0.05 -4.98 119.36 123.91 2krt n ILE 66 Ca -0.08 0.18 -0.14 0.00 1.00 0.00 0.00 62.75 63.71 2krt n ILE 66 Cb 0.52 -2.36 -0.03 0.00 -0.71 0.00 0.00 39.64 37.06 2krt n ILE 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2krt s ASN 67 N -5.87 0.76 -0.13 4.38 2.20 -1.25 -4.98 114.94 110.05 2krt s ASN 67 Ca -0.19 -1.42 0.03 0.00 -0.94 0.00 0.00 52.86 50.34 2krt s ASN 67 Cb 0.03 0.69 0.01 0.00 -2.00 0.00 0.00 41.25 39.97 2krt s ASN 67 CO 0.29 -1.34 -0.22 -0.36 -2.94 0.00 0.00 177.10 172.53 2krt s PHE 68 N -3.00 2.65 -0.05 1.54 0.40 -1.26 -2.07 117.98 116.19 2krt s PHE 68 Ca 0.28 -1.21 0.03 0.00 -0.60 0.00 0.00 56.93 55.43 2krt s PHE 68 Cb -0.01 -1.79 -0.03 0.00 0.51 0.00 0.00 43.02 41.70 2krt s PHE 68 CO 0.19 -0.53 -0.13 -0.51 0.70 0.00 0.00 175.22 174.94 2krt s LEU 69 N 0.67 2.83 0.19 -0.37 1.02 -0.01 -5.00 118.68 118.01 2krt s LEU 69 Ca -0.10 -0.16 -0.30 0.00 0.02 0.00 0.00 54.13 53.59 2krt s LEU 69 Cb -0.16 -1.59 -0.08 0.00 0.02 0.00 0.00 46.19 44.38 2krt s LEU 69 CO 0.02 0.35 1.16 -0.31 0.02 0.00 0.00 176.35 177.58 2krt s TYR 70 N -0.74 3.49 0.15 0.29 2.02 -1.26 -0.88 117.35 120.43 2krt s TYR 70 Ca 0.12 1.50 -0.27 0.00 -0.37 0.00 0.00 57.07 58.05 2krt s TYR 70 Cb -0.11 -3.37 -0.01 0.00 -0.40 0.00 0.00 41.96 38.08 2krt s TYR 70 CO 0.01 -0.95 1.57 -1.00 -1.57 0.00 0.00 175.55 173.61 2krt h PRO 71 N 5.12 -0.31 -0.61 -1.71 0.13 -1.89 -1.88 132.00 130.84 2krt h PRO 71 Ca -0.45 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2krt h PRO 71 Cb 1.21 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2krt h PRO 71 CO 0.73 -0.21 0.00 -0.25 -0.23 0.00 0.00 178.00 178.05 2krt n ASP 72 N -5.41 3.99 0.00 1.44 9.92 -1.26 -4.98 116.55 120.25 2krt n ASP 72 Ca -0.01 -2.19 0.00 0.00 -0.53 0.00 0.00 54.79 52.07 2krt n ASP 72 Cb 0.35 -0.47 0.00 0.00 -0.64 0.00 0.00 41.12 40.36 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 1.15 1.84 3.72 0.44 0.00 -0.71 -4.97 105.19 106.66 2krt n GLY 73 Ca 0.22 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 6.73 0.14 1.61 1.11 -1.26 -4.76 116.67 120.23 2krt s ASP 74 Ca 0.00 2.45 -0.18 0.00 0.18 0.00 0.00 52.55 55.00 2krt s ASP 74 Cb 0.00 -2.59 -0.00 0.00 1.07 0.00 0.00 42.92 41.40 2krt s ASP 74 CO 0.00 -0.72 1.78 2.19 1.18 0.00 0.00 175.17 179.59 2krt h PHE 75 N 6.80 0.29 -0.63 4.23 -0.00 -1.98 -1.05 116.94 124.61 2krt h PHE 75 Ca -0.42 0.01 -0.05 0.00 -0.00 0.00 0.00 57.97 57.51 2krt h PHE 75 Cb 1.21 -0.09 -0.03 0.00 -0.00 0.00 0.00 35.95 37.04 2krt h PHE 75 CO 0.65 0.17 0.19 0.78 -0.00 0.00 0.00 178.31 180.10 2krt h GLY 76 N 0.33 1.04 2.00 6.09 0.00 -2.00 -1.72 103.07 108.81 2krt h GLY 76 Ca 0.12 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 2krt h GLY 76 CO -0.07 0.55 -0.08 0.23 0.00 0.00 0.00 176.54 177.17 2krt h SER 77 N 0.93 0.00 -0.04 0.19 0.87 -1.82 -0.82 113.55 112.87 2krt h SER 77 Ca 0.21 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.74 2krt h SER 77 Cb 0.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2krt h SER 77 CO -0.01 0.08 -0.08 0.00 -0.53 0.00 0.00 176.83 176.29 2krt h ALA 78 N 1.92 0.06 -0.60 6.23 0.00 -0.33 -3.28 119.26 123.25 2krt h ALA 78 Ca -0.00 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.66 2krt h ALA 78 Cb 0.23 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2krt h ALA 78 CO 0.01 -0.09 0.40 -0.91 0.00 0.00 0.00 179.25 178.67 2krt h ASN 79 N -0.41 0.49 0.48 0.00 4.21 -0.77 -0.42 115.58 119.16 2krt h ASN 79 Ca 0.00 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.48 2krt h ASN 79 Cb 0.66 -0.10 -0.00 0.00 -1.12 0.00 0.00 38.32 37.76 2krt h ASN 79 CO 0.02 0.31 -0.15 0.07 -1.29 0.00 0.00 177.43 176.39 2krt h LYS 80 N 0.55 0.00 0.01 0.81 2.10 -1.24 -1.07 116.57 117.73 2krt h LYS 80 Ca 0.27 0.00 -0.38 0.00 -2.00 0.00 0.00 60.65 58.53 2krt h LYS 80 Cb 0.33 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.61 2krt h LYS 80 CO -0.08 0.15 -2.16 0.09 -2.00 0.00 0.00 179.45 175.45 2krt n ASN 81 N -3.59 1.95 -0.03 7.07 3.02 -0.50 -3.85 115.26 119.32 2krt n ASN 81 Ca -0.01 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 2krt n ASN 81 Cb 0.28 -0.79 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 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 1.55 0.62 3.35 7.41 0.00 -0.28 -4.74 105.19 113.10 2krt n GLY 82 Ca -0.45 -0.76 -0.23 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.07 1.92 -0.00 2.61 -4.23 -1.25 -0.87 115.64 111.75 2krt s THR 83 Ca 0.00 -1.93 -0.02 0.00 -1.18 0.00 0.00 61.69 58.56 2krt s THR 83 Cb 0.00 -1.89 -0.00 0.00 1.34 0.00 0.00 72.50 71.95 2krt s THR 83 CO 0.00 -0.27 0.03 -0.22 -0.54 0.00 0.00 174.62 173.62 2krt s LEU 84 N -2.65 1.92 -0.43 4.79 2.96 -0.34 -4.45 118.68 120.49 2krt s LEU 84 Ca 0.16 -0.13 -0.16 0.00 -0.22 0.00 0.00 54.13 53.78 2krt s LEU 84 Cb -0.06 0.20 0.03 0.00 0.50 0.00 0.00 46.19 46.86 2krt s LEU 84 CO 0.07 -0.15 0.35 -0.54 -1.32 0.00 0.00 176.35 174.77 2krt s LYS 85 N -0.62 3.00 -0.16 1.98 1.02 -0.06 -1.20 119.74 123.70 2krt s LYS 85 Ca -0.07 -1.04 -0.23 0.00 0.02 0.00 0.00 55.97 54.65 2krt s LYS 85 Cb -0.04 -4.01 -0.02 0.00 -0.52 0.00 0.00 37.83 33.23 2krt s LYS 85 CO -0.00 -0.84 0.74 -0.51 -0.92 0.00 0.00 175.35 173.82 2krt s LEU 86 N 1.79 4.19 -0.65 3.17 2.01 0.51 -0.83 118.68 128.86 2krt s LEU 86 Ca 0.06 1.06 -0.22 0.00 0.01 0.00 0.00 54.13 55.05 2krt s LEU 86 Cb -0.20 -3.10 0.08 0.00 0.01 0.00 0.00 46.19 42.99 2krt s LEU 86 CO 0.10 -0.31 0.91 -0.55 1.01 0.00 0.00 176.35 177.51 2krt s SER 87 N 1.11 6.19 -0.14 2.29 0.15 -0.88 -1.31 113.70 121.11 2krt s SER 87 Ca 0.35 -1.13 -0.07 0.00 0.70 0.00 0.00 55.95 55.81 2krt s SER 87 Cb -0.16 -2.39 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 2krt s SER 87 CO 0.13 -1.36 0.10 -0.76 1.20 0.00 0.00 173.24 172.55 2krt s LEU 88 N 3.72 4.14 -0.49 3.45 1.02 -0.85 -0.77 118.68 128.90 2krt s LEU 88 Ca 0.20 0.32 -0.16 0.00 0.02 0.00 0.00 54.13 54.51 2krt s LEU 88 Cb -0.18 -2.02 0.08 0.00 0.02 0.00 0.00 46.19 44.09 2krt s LEU 88 CO 0.09 0.33 0.45 0.00 0.02 0.00 0.00 176.35 177.24 2krt s MET 89 N -0.55 3.00 -0.58 1.70 0.23 -0.30 -1.76 119.30 121.05 2krt s MET 89 Ca 0.12 -1.34 -0.24 0.00 -1.03 0.00 0.00 55.69 53.19 2krt s MET 89 Cb -0.12 -4.16 0.04 0.00 -1.53 0.00 0.00 34.83 29.07 2krt s MET 89 CO 0.02 -1.12 0.98 -0.51 -2.03 0.00 0.00 175.02 172.36 2krt s LEU 90 N 1.81 4.04 -0.33 0.18 2.01 0.22 -3.53 118.68 123.08 2krt s LEU 90 Ca 0.06 -0.41 -0.27 0.00 0.01 0.00 0.00 54.13 53.52 2krt s LEU 90 Cb -0.24 -2.79 0.01 0.00 0.01 0.00 0.00 46.19 43.18 2krt s LEU 90 CO 0.07 -1.31 0.98 -0.89 1.01 0.00 0.00 176.35 176.21 2krt s THR 91 N 4.13 4.58 -0.47 5.49 2.01 -0.60 -0.01 115.64 130.77 2krt s THR 91 Ca 0.30 1.47 -0.27 0.00 0.31 0.00 0.00 61.69 63.50 2krt s THR 91 Cb -0.13 -4.34 -0.04 0.00 0.01 0.00 0.00 72.50 68.01 2krt s THR 91 CO 0.18 -0.45 2.03 -0.62 -0.69 0.00 0.00 174.62 175.06 2krt s ASP 92 N 1.72 5.22 0.35 3.53 -1.08 0.96 -1.56 116.67 125.81 2krt s ASP 92 Ca 0.41 0.94 0.13 0.00 -0.52 0.00 0.00 52.55 53.51 2krt s ASP 92 Cb -0.12 -2.52 0.64 0.00 -1.46 0.00 0.00 42.92 39.46 2krt s ASP 92 CO 0.16 -2.30 1.76 0.11 0.52 0.00 0.00 175.17 175.42 2krt h LYS 93 N 15.68 0.00 0.10 4.34 1.79 -1.64 0.48 116.57 137.33 2krt h LYS 93 Ca -0.29 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 57.86 2krt h LYS 93 Cb 1.20 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.83 2krt h LYS 93 CO 1.13 0.43 -1.71 1.57 -1.08 0.00 0.00 179.45 179.79 2krt h LYS 94 N 0.00 0.22 0.00 3.15 2.10 -1.90 -3.35 116.57 116.80 2krt h LYS 94 Ca -0.00 -0.38 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 2krt h LYS 94 Cb 0.80 0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 2krt h LYS 94 CO 0.06 1.05 -1.35 0.09 -2.00 0.00 0.00 179.45 177.29 2krt n ASN 95 N -3.40 0.50 -0.58 7.07 3.02 -1.23 -4.98 115.26 115.66 2krt n ASN 95 Ca -0.21 0.05 -0.07 0.00 -0.03 0.00 0.00 54.58 54.31 2krt n ASN 95 Cb 1.05 1.09 -0.02 0.00 -0.61 0.00 0.00 39.78 41.28 2krt n ASN 95 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2krt n ASN 96 N -2.32 -3.57 -3.21 6.41 5.03 0.17 -5.04 115.26 112.72 2krt n ASN 96 Ca -0.01 0.13 -0.09 0.00 0.87 0.00 0.00 54.58 55.49 2krt n ASN 96 Cb 0.52 -1.94 0.04 0.00 -1.02 0.00 0.00 39.78 37.38 2krt n ASN 96 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2krt n GLN 97 N -2.56 0.67 -4.11 3.52 1.13 -1.08 -4.88 117.38 110.07 2krt n GLN 97 Ca -0.07 -1.29 -0.14 0.00 -1.94 0.00 0.00 57.00 53.56 2krt n GLN 97 Cb 0.30 -0.16 -0.13 0.00 0.11 0.00 0.00 30.24 30.36 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 -0.74 0.47 0.11 5.09 0.11 -1.26 -0.03 120.40 124.15 2krt s VAL 98 Ca 0.27 -0.64 0.04 0.00 -2.93 0.00 0.00 61.98 58.72 2krt s VAL 98 Cb -0.02 -0.47 -0.04 0.00 -1.53 0.00 0.00 36.38 34.32 2krt s VAL 98 CO 0.17 -0.12 -0.10 -0.47 -3.33 0.00 0.00 175.10 171.25 2krt s TYR 99 N -0.73 1.10 -0.03 1.54 5.04 0.99 -4.91 117.35 120.35 2krt s TYR 99 Ca -0.04 -0.72 0.04 0.00 -2.44 0.00 0.00 57.07 53.91 2krt s TYR 99 Cb -0.06 -0.59 -0.00 0.00 0.35 0.00 0.00 41.96 41.66 2krt s TYR 99 CO 0.00 0.00 -0.15 0.71 -1.34 0.00 0.00 175.55 174.78 2krt s TYR 100 N -2.88 1.44 -0.01 4.97 2.02 -1.26 0.71 117.35 122.34 2krt s TYR 100 Ca 0.10 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.44 2krt s TYR 100 Cb -0.00 -0.96 0.01 0.00 -0.40 0.00 0.00 41.96 40.60 2krt s TYR 100 CO -0.01 -0.11 0.01 0.21 -1.57 0.00 0.00 175.55 174.08 2krt s LYS 101 N -0.05 0.02 -0.30 -0.62 2.47 -0.73 -4.97 119.74 115.56 2krt s LYS 101 Ca -0.01 0.04 -0.15 0.00 -1.56 0.00 0.00 55.97 54.29 2krt s LYS 101 Cb -0.09 -0.09 -0.03 0.00 -1.46 0.00 0.00 37.83 36.16 2krt s LYS 101 CO 0.01 -0.04 0.39 -0.51 0.16 0.00 0.00 175.35 175.36 2krt s LEU 102 N 0.29 4.19 -0.36 5.43 2.01 -1.26 -2.01 118.68 126.97 2krt s LEU 102 Ca -0.02 0.11 -0.06 0.00 0.01 0.00 0.00 54.13 54.17 2krt s LEU 102 Cb -0.04 -2.43 0.06 0.00 0.01 0.00 0.00 46.19 43.80 2krt s LEU 102 CO -0.01 -0.27 0.13 -0.76 1.01 0.00 0.00 176.35 176.46 2krt s LEU 103 N 2.11 4.57 -0.46 1.79 1.43 -0.43 -4.92 118.68 122.77 2krt s LEU 103 Ca 0.15 -1.38 -0.23 0.00 -1.03 0.00 0.00 54.13 51.64 2krt s LEU 103 Cb -0.16 -1.86 0.03 0.00 0.03 0.00 0.00 46.19 44.23 2krt s LEU 103 CO 0.11 -0.39 0.81 -1.83 0.23 0.00 0.00 176.35 175.27 2krt s GLU 104 N 1.34 3.41 0.07 1.70 -1.05 -1.26 -0.36 118.70 122.55 2krt s GLU 104 Ca 0.00 -0.09 0.09 0.00 -0.15 0.00 0.00 54.97 54.82 2krt s GLU 104 Cb -0.21 -3.94 -0.03 0.00 -0.44 0.00 0.00 34.13 29.51 2krt s GLU 104 CO 0.01 -1.14 -0.24 0.14 0.95 0.00 0.00 175.26 174.98 2krt s VAL 105 N 3.36 1.92 0.42 1.83 -7.23 -0.34 -4.93 120.40 115.44 2krt s VAL 105 Ca 0.31 -1.40 -0.04 0.00 -1.81 0.00 0.00 61.98 59.04 2krt s VAL 105 Cb -0.12 -1.68 -0.04 0.00 0.56 0.00 0.00 36.38 35.11 2krt s VAL 105 CO 0.23 0.20 0.69 -0.94 -0.31 0.00 0.00 175.10 174.98 2krt s SER 106 N -1.44 6.30 0.00 4.85 1.04 -1.26 -1.20 113.70 121.99 2krt s SER 106 Ca 0.10 0.78 0.00 0.00 0.48 0.00 0.00 55.95 57.30 2krt s SER 106 Cb -0.10 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 63.85 2krt s SER 106 CO 0.03 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.41 2krt n GLY 107 N -1.96 0.98 2.97 7.32 0.00 -0.15 -4.97 105.19 109.37 2krt n GLY 107 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 3.42 -4.69 1.61 3.01 -0.05 -3.88 117.46 116.88 2krt n PHE 108 Ca 0.00 -2.91 0.00 0.00 1.01 0.00 0.00 57.45 55.55 2krt n PHE 108 Cb 0.00 -2.10 0.00 0.00 -0.01 0.00 0.00 39.48 37.37 2krt n PHE 108 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2krt n LYS 109 N 4.66 0.00 -2.91 -1.08 3.00 -1.18 -4.26 118.16 116.39 2krt n LYS 109 Ca 0.41 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.75 2krt n LYS 109 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.41 2krt n LYS 109 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2krt s SER 110 N -4.00 -0.51 -0.56 3.14 1.04 -1.26 -4.04 113.70 107.52 2krt s SER 110 Ca 0.00 -0.17 0.06 0.00 0.48 0.00 0.00 55.95 56.32 2krt s SER 110 Cb 0.00 0.82 0.21 0.00 0.10 0.00 0.00 66.02 67.15 2krt s SER 110 CO 0.00 -0.07 0.55 0.59 0.98 0.00 0.00 173.24 175.29 2krt n ASN 111 N 4.15 1.91 0.00 7.02 4.13 -0.40 -4.98 115.26 127.08 2krt n ASN 111 Ca 0.07 -3.00 0.00 0.00 1.68 0.00 0.00 54.58 53.33 2krt n ASN 111 Cb 0.61 -0.66 0.00 0.00 -1.54 0.00 0.00 39.78 38.19 2krt n ASN 111 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2krt n PRO 112 N 1.66 0.00 0.28 3.52 -0.04 -1.25 -3.02 135.00 136.16 2krt n PRO 112 Ca 0.25 0.45 0.15 0.00 -0.04 0.00 0.00 63.50 64.31 2krt n PRO 112 Cb 0.44 -0.95 0.85 0.00 -0.04 0.00 0.00 33.50 33.79 2krt n PRO 112 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 2krt h TYR 113 N 0.00 0.00 -0.10 0.54 -0.00 -1.91 -1.73 116.97 113.76 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 0.00 0.00 0.00 0.00 0.00 36.73 36.73 2krt h TYR 113 CO 0.00 0.06 -0.21 -0.07 -0.00 0.00 0.00 178.16 177.95 2krt h LEU 114 N 0.00 0.36 -0.77 0.10 3.38 -1.94 -3.23 115.31 113.20 2krt h LEU 114 Ca -0.00 -0.56 -0.13 0.00 0.09 0.00 0.00 57.88 57.28 2krt h LEU 114 Cb 0.20 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2krt h LEU 114 CO 0.01 0.85 -0.55 -0.08 0.09 0.00 0.00 178.44 178.76 2krt h GLU 115 N -0.11 0.19 -5.02 1.13 4.57 -1.41 -3.36 114.58 110.57 2krt h GLU 115 Ca 0.00 -0.12 -0.72 0.00 -1.18 0.00 0.00 59.36 57.35 2krt h GLU 115 Cb 0.79 0.01 -0.16 0.00 -0.16 0.00 0.00 28.75 29.23 2krt h GLU 115 CO 0.05 0.69 1.41 -1.58 -1.18 0.00 0.00 179.01 178.39 2krt s HIS 116 N -3.85 3.29 -0.22 0.92 2.46 -0.67 -4.72 115.29 112.50 2krt s HIS 116 Ca -0.04 -1.89 0.05 0.00 0.47 0.00 0.00 55.06 53.66 2krt s HIS 116 Cb 0.13 -4.39 -0.17 0.00 -0.13 0.00 0.00 32.58 28.01 2krt s HIS 116 CO 0.78 -1.49 -0.14 1.58 -2.47 0.00 0.00 174.74 173.00 2krt n HIS 117 N 6.33 0.00 -4.21 3.88 -0.00 -1.26 -4.81 115.22 115.16 2krt n HIS 117 Ca 0.36 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.92 2krt n HIS 117 Cb 0.45 -0.90 -0.13 0.00 -0.00 0.00 0.00 29.99 29.40 2krt n HIS 117 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2krt s HIS 118 N -2.46 0.79 -0.13 1.57 -3.43 -1.26 -5.08 115.29 105.29 2krt s HIS 118 Ca -0.26 -0.31 -0.26 0.00 -0.80 0.00 0.00 55.06 53.43 2krt s HIS 118 Cb 0.07 -0.48 -0.26 0.00 -1.43 0.00 0.00 32.58 30.48 2krt s HIS 118 CO 0.59 -0.02 0.72 1.25 -2.00 0.00 0.00 174.74 175.28 2krt h HIS 119 N 5.19 0.13 -2.95 0.38 2.76 -2.00 -3.45 115.15 115.21 2krt h HIS 119 Ca -0.34 -0.09 -0.62 0.00 -2.20 0.00 0.00 60.37 57.12 2krt h HIS 119 Cb 1.19 -0.01 -0.06 0.00 1.55 0.00 0.00 27.41 30.08 2krt h HIS 119 CO 0.52 1.15 -0.28 -1.01 -1.30 0.00 0.00 177.93 177.01 2krt s HIS 120 N -2.29 3.67 -2.62 5.26 3.76 -1.26 -5.25 115.29 116.56 2krt s HIS 120 Ca -0.19 0.85 0.21 0.00 -0.15 0.00 0.00 55.06 55.78 2krt s HIS 120 Cb -0.01 -2.21 0.17 0.00 1.11 0.00 0.00 32.58 31.63 2krt s HIS 120 CO 0.71 0.63 1.16 -2.39 -0.85 0.00 0.00 174.74 174.00