#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 -6.39 -3.51 4.03 -0.00 -1.26 -5.04 117.00 104.83 2krt n LEU 2 Ca 0.00 1.63 -0.20 0.00 -0.00 0.00 0.00 56.01 57.44 2krt n LEU 2 Cb 0.00 -2.92 -0.14 0.00 -0.00 0.00 0.00 43.42 40.36 2krt n LEU 2 CO 0.00 -3.33 -0.23 -0.55 -0.00 0.00 0.00 177.39 173.28 2krt s SER 3 N -0.98 1.59 -0.82 1.96 0.15 -1.26 -5.03 113.70 109.31 2krt s SER 3 Ca -0.12 -0.32 0.01 0.00 0.70 0.00 0.00 55.95 56.22 2krt s SER 3 Cb 0.01 0.26 0.35 0.00 -1.71 0.00 0.00 66.02 64.93 2krt s SER 3 CO 0.61 -0.33 1.64 0.00 1.20 0.00 0.00 173.24 176.36 2krt n GLN 4 N 5.31 3.98 -2.85 5.44 3.00 -1.26 -4.88 117.38 126.12 2krt n GLN 4 Ca -0.06 -4.33 -0.26 0.00 -0.01 0.00 0.00 57.00 52.34 2krt n GLN 4 Cb 0.49 -2.34 0.00 0.00 0.00 0.00 0.00 30.24 28.39 2krt n GLN 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2krt s ALA 5 N -4.00 3.52 0.26 -1.58 0.00 -1.26 -4.94 121.76 113.76 2krt s ALA 5 Ca 0.46 -0.71 -0.02 0.00 0.00 0.00 0.00 51.96 51.69 2krt s ALA 5 Cb 0.31 -2.40 0.46 0.00 0.00 0.00 0.00 23.12 21.49 2krt s ALA 5 CO -0.23 -0.32 1.83 -0.91 0.00 0.00 0.00 175.76 176.14 2krt h ASN 6 N 0.34 0.85 -0.54 0.00 2.35 -2.01 0.05 115.58 116.62 2krt h ASN 6 Ca -0.47 0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.28 2krt h ASN 6 Cb 1.22 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 39.43 2krt h ASN 6 CO 0.61 0.48 0.22 1.05 -1.65 0.00 0.00 177.43 178.14 2krt h GLU 7 N 0.95 0.85 -0.49 0.81 4.11 -2.00 -2.91 114.58 115.90 2krt h GLU 7 Ca 0.45 -0.14 -0.11 0.00 0.07 0.00 0.00 59.36 59.63 2krt h GLU 7 Cb 0.38 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2krt h GLU 7 CO -0.24 0.71 -0.11 -0.44 0.07 0.00 0.00 179.01 178.99 2krt h ASP 8 N 0.84 0.95 0.09 3.06 3.32 -1.35 0.23 116.42 123.56 2krt h ASP 8 Ca 0.20 -0.36 0.01 0.00 0.02 0.00 0.00 57.03 56.90 2krt h ASP 8 Cb 0.18 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 2krt h ASP 8 CO -0.02 1.09 -0.18 -0.26 -1.72 0.00 0.00 179.24 178.16 2krt h PHE 9 N 0.80 -0.46 -0.33 4.55 0.04 -1.30 0.24 116.94 120.49 2krt h PHE 9 Ca 0.12 0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.83 2krt h PHE 9 Cb 0.67 0.19 -0.02 0.00 2.20 0.00 0.00 35.95 39.00 2krt h PHE 9 CO 0.05 -0.26 -0.12 1.57 -0.60 0.00 0.00 178.31 178.94 2krt h LYS 10 N -0.34 0.56 -0.83 1.51 2.10 -1.45 -2.76 116.57 115.37 2krt h LYS 10 Ca 0.03 -0.17 0.02 0.00 -2.00 0.00 0.00 60.65 58.53 2krt h LYS 10 Cb 0.36 -0.06 -0.05 0.00 -0.90 0.00 0.00 32.23 31.59 2krt h LYS 10 CO -0.10 0.68 0.54 -0.22 -2.00 0.00 0.00 179.45 178.34 2krt h LYS 11 N 0.52 1.04 -0.82 0.07 3.11 -0.11 -0.53 116.57 119.85 2krt h LYS 11 Ca 0.09 -0.06 0.04 0.00 -2.81 0.00 0.00 60.65 57.91 2krt h LYS 11 Cb 0.52 -0.23 -0.05 0.00 -1.00 0.00 0.00 32.23 31.46 2krt h LYS 11 CO 0.03 0.69 0.52 0.82 -2.81 0.00 0.00 179.45 178.69 2krt h ILE 12 N 1.07 1.09 -0.43 2.00 2.04 -0.67 -0.16 117.51 122.45 2krt h ILE 12 Ca 0.32 -0.34 -0.10 0.00 1.00 0.00 0.00 64.86 65.75 2krt h ILE 12 Cb -0.04 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.05 2krt h ILE 12 CO -0.10 0.18 -0.11 0.58 0.00 0.00 0.00 178.15 178.70 2krt h VAL 13 N 0.98 1.27 0.00 1.67 2.07 -1.18 -3.06 116.25 118.01 2krt h VAL 13 Ca 0.34 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.65 2krt h VAL 13 Cb 0.07 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2krt h VAL 13 CO -0.14 0.41 -0.08 0.59 0.02 0.00 0.00 177.57 178.37 2krt n ASN 14 N -4.29 0.48 -1.78 0.57 3.02 -0.29 -3.32 115.26 109.65 2krt n ASN 14 Ca -0.01 0.46 -0.11 0.00 -0.03 0.00 0.00 54.58 54.89 2krt n ASN 14 Cb 0.37 -0.54 0.23 0.00 -0.61 0.00 0.00 39.78 39.23 2krt n ASN 14 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2krt n ASN 15 N -1.92 3.72 -4.72 6.41 3.02 -0.09 -4.97 115.26 116.72 2krt n ASN 15 Ca 0.06 -3.51 -0.41 0.00 -0.03 0.00 0.00 54.58 50.69 2krt n ASN 15 Cb 0.39 -0.74 -0.04 0.00 -0.61 0.00 0.00 39.78 38.79 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 -3.17 4.84 0.04 2.41 1.01 -1.20 -4.82 121.20 120.31 2krt s ILE 16 Ca 0.52 1.91 0.01 0.00 0.00 0.00 0.00 60.65 63.10 2krt s ILE 16 Cb 0.44 -4.25 -0.02 0.00 0.01 0.00 0.00 42.46 38.63 2krt s ILE 16 CO 0.09 0.22 -0.06 -0.60 0.00 0.00 0.00 174.94 174.58 2krt s ARG 17 N 0.74 0.46 0.00 2.79 6.06 -1.26 -4.95 118.95 122.79 2krt s ARG 17 Ca 0.48 -0.73 0.06 0.00 -2.50 0.00 0.00 55.73 53.04 2krt s ARG 17 Cb -0.21 -0.14 0.37 0.00 0.06 0.00 0.00 34.95 35.03 2krt s ARG 17 CO 0.26 0.01 0.86 1.47 -2.50 0.00 0.00 175.30 175.40 2krt n LEU 18 N 1.46 0.00 0.00 -0.88 -0.00 -1.26 -1.02 117.00 115.30 2krt n LEU 18 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.78 2krt n LEU 18 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 2krt n LEU 18 CO 0.21 0.00 -0.12 1.17 -0.00 0.00 0.00 177.39 178.64 2krt n LYS 19 N -0.67 0.00 -0.16 1.47 4.81 -1.24 -4.24 118.16 118.13 2krt n LYS 19 Ca 0.05 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.37 2krt n LYS 19 Cb 0.02 -0.43 -0.00 0.00 0.02 0.00 0.00 35.03 34.64 2krt n LYS 19 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2krt h ASP 20 N 0.00 1.00 0.00 3.14 3.58 -1.95 -3.41 116.42 118.78 2krt h ASP 20 Ca 0.00 -0.40 -0.18 0.00 0.42 0.00 0.00 57.03 56.88 2krt h ASP 20 Cb 0.25 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 40.99 2krt h ASP 20 CO 0.00 1.17 -1.66 0.41 -2.88 0.00 0.00 179.24 176.28 2krt n THR 21 N -4.14 0.67 -3.70 2.25 -1.04 -0.19 -4.81 114.28 103.33 2krt n THR 21 Ca -0.00 -0.25 -0.11 0.00 -2.04 0.00 0.00 64.05 61.65 2krt n THR 21 Cb 0.45 -0.95 -0.11 0.00 -1.82 0.00 0.00 70.33 67.90 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 -2.23 -0.54 -0.51 -1.42 -0.71 -0.65 -1.46 117.98 110.46 2krt s PHE 22 Ca -0.16 1.15 -0.20 0.00 -1.04 0.00 0.00 56.93 56.68 2krt s PHE 22 Cb 0.04 0.18 0.05 0.00 -1.21 0.00 0.00 43.02 42.08 2krt s PHE 22 CO 0.27 -0.33 0.69 0.34 -1.34 0.00 0.00 175.22 174.84 2krt s ASP 23 N 1.63 6.26 0.54 1.98 2.15 -0.67 -3.69 116.67 124.86 2krt s ASP 23 Ca -0.07 -0.73 -0.03 0.00 0.43 0.00 0.00 52.55 52.15 2krt s ASP 23 Cb -0.10 -2.32 0.01 0.00 -0.30 0.00 0.00 42.92 40.21 2krt s ASP 23 CO -0.11 -0.94 0.80 0.72 -0.17 0.00 0.00 175.17 175.47 2krt s PHE 24 N 2.90 3.18 -0.15 -5.34 -0.71 -1.26 -1.63 117.98 114.96 2krt s PHE 24 Ca 0.19 0.39 -0.09 0.00 -1.04 0.00 0.00 56.93 56.37 2krt s PHE 24 Cb -0.17 -2.59 0.05 0.00 -1.21 0.00 0.00 43.02 39.09 2krt s PHE 24 CO 0.14 -0.67 0.36 0.21 -1.34 0.00 0.00 175.22 173.92 2krt s LYS 25 N -4.80 0.36 0.07 1.99 2.20 -0.51 -4.95 119.74 114.10 2krt s LYS 25 Ca 0.52 0.65 -0.20 0.00 -0.36 0.00 0.00 55.97 56.59 2krt s LYS 25 Cb -0.10 0.02 -0.07 0.00 -1.51 0.00 0.00 37.83 36.17 2krt s LYS 25 CO 0.41 -0.13 0.59 -0.51 -0.36 0.00 0.00 175.35 175.35 2krt s LEU 26 N 1.04 4.52 0.33 5.43 2.01 -1.21 -0.72 118.68 130.07 2krt s LEU 26 Ca -0.07 1.28 0.07 0.00 0.01 0.00 0.00 54.13 55.42 2krt s LEU 26 Cb -0.07 -2.93 0.76 0.00 0.01 0.00 0.00 46.19 43.96 2krt s LEU 26 CO -0.08 0.25 1.84 0.00 1.01 0.00 0.00 176.35 179.37 2krt h ALA 27 N 4.68 1.75 0.00 4.21 0.00 -1.50 -0.55 119.26 127.85 2krt h ALA 27 Ca -0.49 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2krt h ALA 27 Cb 1.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2krt h ALA 27 CO 0.64 -0.02 -0.49 0.00 0.00 0.00 0.00 179.25 179.38 2krt n ALA 28 N -2.40 2.88 -3.84 0.00 0.00 -1.26 -4.53 120.51 111.37 2krt n ALA 28 Ca 0.19 -0.22 -0.29 0.00 0.00 0.00 0.00 53.44 53.12 2krt n ALA 28 Cb 0.48 -1.22 -0.12 0.00 0.00 0.00 0.00 19.45 18.58 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 -3.13 3.02 -0.07 0.00 0.08 -0.22 -4.95 117.98 112.72 2krt s PHE 29 Ca 0.08 -3.08 0.27 0.00 0.12 0.00 0.00 56.93 54.31 2krt s PHE 29 Cb 0.14 -2.45 0.85 0.00 -0.57 0.00 0.00 43.02 40.99 2krt s PHE 29 CO 0.69 -0.65 1.79 -1.00 -0.10 0.00 0.00 175.22 175.95 2krt h PRO 30 N 5.87 0.00 -0.72 0.24 0.13 -1.79 -2.95 132.00 132.78 2krt h PRO 30 Ca 0.08 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.72 2krt h PRO 30 Cb 0.83 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.65 2krt h PRO 30 CO 0.65 0.10 -0.14 0.09 -0.23 0.00 0.00 178.00 178.46 2krt n ASN 31 N -3.18 5.05 -4.77 1.44 5.03 -1.26 -4.98 115.26 112.60 2krt n ASN 31 Ca 0.02 -3.77 -0.36 0.00 0.87 0.00 0.00 54.58 51.33 2krt n ASN 31 Cb 0.44 -0.60 0.01 0.00 -1.02 0.00 0.00 39.78 38.60 2krt n ASN 31 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2krt s GLN 32 N -3.57 3.40 -0.20 3.52 1.03 -1.12 -5.04 119.66 117.68 2krt s GLN 32 Ca 0.53 1.80 -0.02 0.00 0.04 0.00 0.00 55.36 57.71 2krt s GLN 32 Cb 0.44 -2.17 0.06 0.00 0.03 0.00 0.00 33.01 31.36 2krt s GLN 32 CO 0.01 -0.85 0.00 -0.80 -2.54 0.00 0.00 175.29 171.12 2krt s ASN 33 N -1.48 3.11 0.13 12.60 0.01 -1.26 -5.02 114.94 123.04 2krt s ASN 33 Ca 0.70 -0.88 0.10 0.00 -0.71 0.00 0.00 52.86 52.07 2krt s ASN 33 Cb -0.29 -0.77 0.52 0.00 0.41 0.00 0.00 41.25 41.11 2krt s ASN 33 CO 0.34 -0.27 1.31 0.00 -1.51 0.00 0.00 177.10 176.96 2krt n TYR 34 N 4.94 0.31 1.29 2.20 0.18 -1.26 -1.30 117.16 123.52 2krt n TYR 34 Ca -0.10 0.15 0.04 0.00 1.88 0.00 0.00 57.90 59.88 2krt n TYR 34 Cb 0.46 -0.75 0.12 0.00 -0.38 0.00 0.00 39.34 38.80 2krt n TYR 34 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 2krt n ASP 35 N -1.81 1.21 0.00 9.48 5.75 -1.26 -3.42 116.55 126.50 2krt n ASP 35 Ca -0.00 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 2krt n ASP 35 Cb 0.04 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 2krt n ASP 35 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2krt n GLN 36 N 0.15 0.00 -1.75 0.11 10.64 -0.42 -4.73 117.38 121.38 2krt n GLN 36 Ca 0.08 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.83 2krt n GLN 36 Cb 0.19 -0.33 -0.03 0.00 -0.86 0.00 0.00 30.24 29.22 2krt n GLN 36 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2krt s LEU 37 N -1.64 4.38 0.39 2.61 2.01 -0.84 -4.87 118.68 120.73 2krt s LEU 37 Ca 0.00 2.77 -0.25 0.00 0.01 0.00 0.00 54.13 56.66 2krt s LEU 37 Cb 0.00 -3.58 -0.09 0.00 0.01 0.00 0.00 46.19 42.53 2krt s LEU 37 CO 0.00 -0.97 1.16 -0.76 1.01 0.00 0.00 176.35 176.79 2krt s LEU 38 N 1.98 4.21 0.13 1.79 1.43 -1.26 -4.68 118.68 122.28 2krt s LEU 38 Ca 0.77 2.34 -0.31 0.00 -1.03 0.00 0.00 54.13 55.89 2krt s LEU 38 Cb -0.47 -4.00 -0.09 0.00 0.03 0.00 0.00 46.19 41.66 2krt s LEU 38 CO 0.34 -0.64 1.56 1.55 0.23 0.00 0.00 176.35 179.39 2krt h PRO 39 N 2.70 -0.48 -0.20 1.29 0.13 -1.93 -0.80 132.00 132.70 2krt h PRO 39 Ca -0.49 0.03 0.06 0.00 -0.87 0.00 0.00 66.00 64.73 2krt h PRO 39 Cb 1.23 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 2krt h PRO 39 CO 0.63 -0.32 0.15 1.03 -0.23 0.00 0.00 178.00 179.26 2krt h SER 40 N -0.50 0.00 -0.04 1.44 0.87 -1.99 -1.45 113.55 111.88 2krt h SER 40 Ca 0.07 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.40 2krt h SER 40 Cb 0.65 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.62 2krt h SER 40 CO -0.47 0.00 -0.86 1.56 -0.53 0.00 0.00 176.83 176.53 2krt h GLN 41 N 0.00 0.65 -0.56 2.24 1.08 -1.58 -3.12 115.11 113.82 2krt h GLN 41 Ca 0.09 -0.65 -0.03 0.00 -1.45 0.00 0.00 58.65 56.62 2krt h GLN 41 Cb 0.40 0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.98 2krt h GLN 41 CO -0.00 1.25 0.24 0.82 -0.95 0.00 0.00 178.83 180.18 2krt h ILE 42 N 0.31 1.22 -0.51 2.54 2.04 -0.64 -2.82 117.51 119.64 2krt h ILE 42 Ca -0.10 -0.66 0.15 0.00 1.00 0.00 0.00 64.86 65.25 2krt h ILE 42 Cb 1.52 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 2krt h ILE 42 CO 0.17 0.26 0.37 0.22 0.00 0.00 0.00 178.15 179.17 2krt h TYR 43 N 0.77 0.00 0.00 1.37 3.20 -1.31 -1.94 116.97 119.05 2krt h TYR 43 Ca 0.19 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.06 2krt h TYR 43 Cb 0.18 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.45 2krt h TYR 43 CO 0.01 0.00 0.00 1.63 -1.64 0.00 0.00 178.16 178.16 2krt n LYS 44 N -4.38 0.04 0.00 1.82 4.76 -1.06 -2.61 118.16 116.73 2krt n LYS 44 Ca 0.09 0.31 0.07 0.00 -2.87 0.00 0.00 58.31 55.91 2krt n LYS 44 Cb 0.59 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.27 2krt n LYS 44 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2krt n ASN 45 N -1.37 1.39 0.27 4.39 3.02 -0.73 -4.64 115.26 117.59 2krt n ASN 45 Ca 0.02 -1.19 0.11 0.00 -0.03 0.00 0.00 54.58 53.49 2krt n ASN 45 Cb 0.05 0.51 0.75 0.00 -0.61 0.00 0.00 39.78 40.48 2krt n ASN 45 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 2krt h TYR 46 N 1.39 0.00 0.01 3.10 -0.00 -1.68 0.39 116.97 120.18 2krt h TYR 46 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 58.73 58.45 2krt h TYR 46 Cb 0.45 0.00 -0.04 0.00 -0.00 0.00 0.00 36.73 37.14 2krt h TYR 46 CO 0.00 0.02 -1.59 -0.92 -0.00 0.00 0.00 178.16 175.68 2krt h TYR 47 N 0.00 0.03 0.00 0.10 3.20 -1.84 -3.37 116.97 115.08 2krt h TYR 47 Ca -0.00 -0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.74 2krt h TYR 47 Cb 0.05 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 2krt h TYR 47 CO 0.00 1.03 -0.55 1.96 -1.64 0.00 0.00 178.16 178.97 2krt h GLN 48 N 0.00 0.00 0.00 1.82 1.08 -1.28 -3.49 115.11 113.25 2krt h GLN 48 Ca -0.24 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.96 2krt h GLN 48 Cb 1.97 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.40 2krt h GLN 48 CO 0.09 0.55 0.00 0.41 -0.95 0.00 0.00 178.83 178.93 2krt n GLY 49 N 0.16 4.24 2.85 3.46 0.00 -0.12 -4.76 105.19 111.03 2krt n GLY 49 Ca -0.01 -1.31 -0.21 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.40 0.46 -0.11 -0.61 1.01 -1.26 -1.36 121.20 117.94 2krt s ILE 50 Ca 0.00 -0.04 -0.13 0.00 0.00 0.00 0.00 60.65 60.48 2krt s ILE 50 Cb 0.00 -0.53 -0.05 0.00 0.01 0.00 0.00 42.46 41.89 2krt s ILE 50 CO 0.00 0.23 0.30 -1.61 0.00 0.00 0.00 174.94 173.86 2krt s GLU 51 N 1.24 4.04 -0.27 2.79 0.41 0.10 -4.91 118.70 122.10 2krt s GLU 51 Ca -0.06 0.15 -0.05 0.00 -0.41 0.00 0.00 54.97 54.60 2krt s GLU 51 Cb -0.14 -3.33 0.01 0.00 -1.78 0.00 0.00 34.13 28.89 2krt s GLU 51 CO -0.02 0.44 0.02 0.42 -0.49 0.00 0.00 175.26 175.63 2krt s ILE 52 N -0.17 3.55 -0.44 -1.63 -1.09 -1.26 -1.42 121.20 118.73 2krt s ILE 52 Ca 0.18 -0.76 -0.21 0.00 -2.23 0.00 0.00 60.65 57.64 2krt s ILE 52 Cb -0.14 -2.79 0.03 0.00 -1.58 0.00 0.00 42.46 37.98 2krt s ILE 52 CO 0.07 0.17 0.64 -1.58 -1.23 0.00 0.00 174.94 173.00 2krt s GLN 53 N 1.44 3.26 0.56 2.79 2.00 -0.65 -4.96 119.66 124.11 2krt s GLN 53 Ca 0.02 -0.41 -0.16 0.00 -2.00 0.00 0.00 55.36 52.81 2krt s GLN 53 Cb -0.17 -3.96 -0.05 0.00 0.80 0.00 0.00 33.01 29.63 2krt s GLN 53 CO -0.00 -1.02 1.03 1.14 -0.50 0.00 0.00 175.29 175.93 2krt s GLN 54 N 2.81 3.58 0.00 1.67 1.03 -1.26 -1.67 119.66 125.81 2krt s GLN 54 Ca 0.22 1.11 0.00 0.00 0.04 0.00 0.00 55.36 56.73 2krt s GLN 54 Cb -0.14 -2.07 0.00 0.00 0.03 0.00 0.00 33.01 30.82 2krt s GLN 54 CO 0.18 -0.59 0.00 1.58 -2.54 0.00 0.00 175.29 173.93 2krt n HIS 55 N -1.82 0.00 -3.12 9.60 -0.00 -0.53 -4.92 115.22 114.43 2krt n HIS 55 Ca 0.08 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.16 2krt n HIS 55 Cb 0.53 0.00 0.03 0.00 -0.12 0.00 0.00 29.99 30.43 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 -0.27 0.86 -1.16 1.57 5.02 -1.25 -4.97 118.16 117.95 2krt n LYS 56 Ca 0.00 -1.49 -0.36 0.00 -2.02 0.00 0.00 58.31 54.44 2krt n LYS 56 Cb 0.00 -0.07 -0.09 0.00 -0.02 0.00 0.00 35.03 34.85 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 -1.52 1.22 0.98 2.13 4.02 -1.26 -4.68 117.16 118.06 2krt n TYR 57 Ca 0.06 -1.02 0.11 0.00 -0.01 0.00 0.00 57.90 57.04 2krt n TYR 57 Cb 0.28 -1.69 0.55 0.00 -0.02 0.00 0.00 39.34 38.46 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 7.76 0.21 0.00 -0.72 1.13 -1.26 -2.02 117.38 122.47 2krt n GLN 58 Ca 0.46 0.08 0.08 0.00 -1.94 0.00 0.00 57.00 55.69 2krt n GLN 58 Cb 0.43 -1.50 0.38 0.00 0.11 0.00 0.00 30.24 29.66 2krt n GLN 58 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2krt n ASN 59 N -1.37 0.00 -0.10 1.08 3.02 -1.26 -3.34 115.26 113.29 2krt n ASN 59 Ca 0.09 0.48 -0.15 0.00 -0.03 0.00 0.00 54.58 54.97 2krt n ASN 59 Cb 0.22 -0.49 -0.09 0.00 -0.61 0.00 0.00 39.78 38.80 2krt n ASN 59 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2krt n GLU 60 N -1.49 0.51 -4.24 3.52 4.07 -0.86 -4.68 120.64 117.48 2krt n GLU 60 Ca 0.04 0.13 -0.19 0.00 -0.06 0.00 0.00 57.16 57.08 2krt n GLU 60 Cb 0.20 -1.40 -0.16 0.00 -0.06 0.00 0.00 31.44 30.03 2krt n GLU 60 CO 0.00 0.00 0.00 -0.48 -0.06 0.00 0.00 177.13 176.59 2krt s LEU 61 N -6.30 1.61 -0.13 4.31 2.34 -1.21 -3.65 118.68 115.64 2krt s LEU 61 Ca -0.28 -0.14 -0.18 0.00 0.06 0.00 0.00 54.13 53.59 2krt s LEU 61 Cb 0.08 -0.44 -0.04 0.00 -0.56 0.00 0.00 46.19 45.22 2krt s LEU 61 CO 0.47 0.01 0.50 -0.62 -1.06 0.00 0.00 176.35 175.64 2krt s ASP 62 N 0.48 6.67 -0.44 1.48 2.15 -0.93 -4.40 116.67 121.70 2krt s ASP 62 Ca -0.07 0.81 -0.19 0.00 0.43 0.00 0.00 52.55 53.53 2krt s ASP 62 Cb -0.10 -2.29 0.03 0.00 -0.30 0.00 0.00 42.92 40.25 2krt s ASP 62 CO 0.00 -0.04 0.54 -0.63 -0.17 0.00 0.00 175.17 174.87 2krt s ILE 63 N 0.83 4.96 -0.10 4.11 1.01 -1.26 -2.91 121.20 127.84 2krt s ILE 63 Ca 0.26 -0.17 -0.00 0.00 0.00 0.00 0.00 60.65 60.74 2krt s ILE 63 Cb -0.15 -4.13 0.02 0.00 0.01 0.00 0.00 42.46 38.21 2krt s ILE 63 CO 0.10 -0.53 -0.06 -0.54 0.00 0.00 0.00 174.94 173.91 2krt s LYS 64 N 2.47 1.33 -0.16 2.79 1.02 -1.23 -4.96 119.74 120.99 2krt s LYS 64 Ca 0.17 -0.19 -0.24 0.00 0.02 0.00 0.00 55.97 55.72 2krt s LYS 64 Cb -0.16 -1.42 -0.02 0.00 -0.52 0.00 0.00 37.83 35.71 2krt s LYS 64 CO 0.16 -0.24 0.79 0.42 -0.92 0.00 0.00 175.35 175.56 2krt s ILE 65 N 1.64 4.92 -0.14 2.17 1.01 -1.26 -0.95 121.20 128.58 2krt s ILE 65 Ca 0.03 1.55 -0.12 0.00 0.00 0.00 0.00 60.65 62.11 2krt s ILE 65 Cb -0.13 -4.10 -0.10 0.00 0.01 0.00 0.00 42.46 38.14 2krt s ILE 65 CO -0.06 0.06 0.15 0.40 0.00 0.00 0.00 174.94 175.49 2krt h ILE 66 N 5.14 0.54 -2.33 2.92 2.04 -0.91 -3.49 117.51 121.42 2krt h ILE 66 Ca -0.31 -1.49 0.21 0.00 1.00 0.00 0.00 64.86 64.27 2krt h ILE 66 Cb 1.14 1.10 -0.06 0.00 -0.74 0.00 0.00 36.82 38.27 2krt h ILE 66 CO 0.82 0.18 0.64 0.54 0.00 0.00 0.00 178.15 180.33 2krt s ASN 67 N -5.98 -0.03 -0.17 1.72 6.03 -1.25 -4.95 114.94 110.32 2krt s ASN 67 Ca -0.13 -0.50 -0.02 0.00 -1.03 0.00 0.00 52.86 51.17 2krt s ASN 67 Cb 0.01 0.41 -0.02 0.00 -3.03 0.00 0.00 41.25 38.62 2krt s ASN 67 CO 0.31 -0.80 -0.07 -0.36 -2.03 0.00 0.00 177.10 174.15 2krt s PHE 68 N -2.36 2.92 0.35 1.54 0.08 -1.26 -2.26 117.98 116.99 2krt s PHE 68 Ca 0.21 -0.65 0.09 0.00 0.12 0.00 0.00 56.93 56.70 2krt s PHE 68 Cb -0.01 -1.97 -0.07 0.00 -0.57 0.00 0.00 43.02 40.41 2krt s PHE 68 CO 0.03 -0.28 -0.08 -0.51 -0.10 0.00 0.00 175.22 174.28 2krt s LEU 69 N 0.75 2.76 0.41 -0.37 1.02 -0.86 -4.96 118.68 117.43 2krt s LEU 69 Ca -0.03 -1.20 0.05 0.00 0.02 0.00 0.00 54.13 52.97 2krt s LEU 69 Cb -0.15 -1.02 0.00 0.00 0.02 0.00 0.00 46.19 45.05 2krt s LEU 69 CO 0.02 -0.22 0.58 -0.31 0.02 0.00 0.00 176.35 176.44 2krt s TYR 70 N -2.61 3.01 -0.89 0.29 2.02 -1.26 -0.61 117.35 117.30 2krt s TYR 70 Ca 0.33 -0.15 -0.06 0.00 -0.37 0.00 0.00 57.07 56.82 2krt s TYR 70 Cb 0.03 -2.28 -0.07 0.00 -0.40 0.00 0.00 41.96 39.24 2krt s TYR 70 CO 0.17 -0.33 2.22 -0.35 -1.57 0.00 0.00 175.55 175.69 2krt n PRO 71 N -1.90 2.15 -4.00 -1.71 -0.04 -1.26 -4.51 135.00 123.73 2krt n PRO 71 Ca 0.04 -1.44 -0.31 0.00 -0.04 0.00 0.00 63.50 61.75 2krt n PRO 71 Cb 0.58 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 2krt n PRO 71 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2krt n ASP 72 N 3.98 -3.41 -3.59 3.54 8.00 -1.26 -4.95 116.55 118.86 2krt n ASP 72 Ca 0.46 -0.88 -0.19 0.00 0.71 0.00 0.00 54.79 54.88 2krt n ASP 72 Cb 0.18 -3.45 -0.08 0.00 -0.02 0.00 0.00 41.12 37.75 2krt n ASP 72 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2krt s GLY 73 N -3.55 2.25 0.38 0.44 0.00 -1.26 -5.15 107.32 100.43 2krt s GLY 73 Ca 0.54 -1.90 -0.25 0.00 0.00 0.00 0.00 44.72 43.11 2krt s GLY 73 CO 0.87 -1.52 1.04 0.99 0.00 0.00 0.00 173.10 174.48 2krt s ASP 74 N -3.38 6.86 0.57 1.64 1.11 -1.26 -4.87 116.67 117.35 2krt s ASP 74 Ca 0.38 2.02 0.27 0.00 0.18 0.00 0.00 52.55 55.40 2krt s ASP 74 Cb 0.03 -2.59 1.65 0.00 1.07 0.00 0.00 42.92 43.08 2krt s ASP 74 CO 0.24 -0.42 2.18 2.19 1.18 0.00 0.00 175.17 180.54 2krt h PHE 75 N 2.65 0.00 0.36 4.23 -0.00 -2.01 -2.23 116.94 119.94 2krt h PHE 75 Ca -0.48 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 57.47 2krt h PHE 75 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.16 2krt h PHE 75 CO 0.58 0.00 -0.17 0.78 -0.00 0.00 0.00 178.31 179.50 2krt h GLY 76 N 0.00 -0.50 1.97 6.09 0.00 -2.04 -2.86 103.07 105.74 2krt h GLY 76 Ca 0.04 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.56 2krt h GLY 76 CO -0.00 -0.18 0.01 0.23 0.00 0.00 0.00 176.54 176.60 2krt h SER 77 N -0.51 0.00 -0.88 0.19 0.87 -1.81 -2.67 113.55 108.75 2krt h SER 77 Ca -0.05 0.00 0.25 0.00 -1.23 0.00 0.00 61.79 60.76 2krt h SER 77 Cb 0.39 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.31 2krt h SER 77 CO 0.08 0.00 0.63 0.00 -0.53 0.00 0.00 176.83 177.01 2krt h ALA 78 N 1.99 2.77 0.00 6.23 0.00 -1.21 0.22 119.26 129.27 2krt h ALA 78 Ca 0.01 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 2krt h ALA 78 Cb 0.03 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2krt h ALA 78 CO -0.00 -1.02 -0.67 -0.91 0.00 0.00 0.00 179.25 176.65 2krt h ASN 79 N 0.04 0.00 0.31 0.00 2.35 -1.57 0.25 115.58 116.97 2krt h ASN 79 Ca 0.42 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.84 2krt h ASN 79 Cb 1.62 0.00 0.02 0.00 0.05 0.00 0.00 38.32 40.02 2krt h ASN 79 CO -0.02 0.67 -1.52 0.07 -1.65 0.00 0.00 177.43 174.97 2krt h LYS 80 N 0.00 0.45 0.02 0.81 2.10 -0.74 -1.59 116.57 117.61 2krt h LYS 80 Ca -0.01 -0.76 -0.33 0.00 -2.00 0.00 0.00 60.65 57.56 2krt h LYS 80 Cb 1.27 0.28 -0.05 0.00 -0.90 0.00 0.00 32.23 32.83 2krt h LYS 80 CO 0.09 1.36 -1.93 0.27 -2.00 0.00 0.00 179.45 177.23 2krt n ASN 81 N -3.64 1.01 -3.43 7.07 6.94 -0.90 -2.82 115.26 119.50 2krt n ASN 81 Ca -0.18 0.27 -0.24 0.00 -0.02 0.00 0.00 54.58 54.41 2krt n ASN 81 Cb 1.08 -0.04 0.05 0.00 -2.36 0.00 0.00 39.78 38.52 2krt n ASN 81 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2krt n GLY 82 N 1.71 -0.53 3.32 4.83 0.00 0.89 -4.81 105.19 110.59 2krt n GLY 82 Ca -0.24 0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 2krt n GLY 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2krt s THR 83 N -3.25 2.03 0.10 2.61 -4.23 -1.26 -3.72 115.64 107.92 2krt s THR 83 Ca 0.49 -1.24 0.08 0.00 -1.18 0.00 0.00 61.69 59.84 2krt s THR 83 Cb -0.22 -1.72 -0.04 0.00 1.34 0.00 0.00 72.50 71.87 2krt s THR 83 CO 0.61 0.43 -0.21 -0.76 -0.54 0.00 0.00 174.62 174.15 2krt s LEU 84 N -0.97 2.30 -0.44 4.79 1.43 -0.40 -4.65 118.68 120.75 2krt s LEU 84 Ca 0.10 -0.69 -0.17 0.00 -1.03 0.00 0.00 54.13 52.34 2krt s LEU 84 Cb -0.10 -0.88 0.03 0.00 0.03 0.00 0.00 46.19 45.28 2krt s LEU 84 CO 0.01 0.05 0.46 -0.54 0.23 0.00 0.00 176.35 176.56 2krt s LYS 85 N -1.94 3.08 -0.50 1.70 1.02 0.22 -0.97 119.74 122.35 2krt s LYS 85 Ca 0.07 -0.85 -0.28 0.00 0.02 0.00 0.00 55.97 54.92 2krt s LYS 85 Cb -0.10 -4.01 0.02 0.00 -0.52 0.00 0.00 37.83 33.22 2krt s LYS 85 CO 0.04 -0.93 1.31 -0.51 -0.92 0.00 0.00 175.35 174.34 2krt s LEU 86 N 2.15 3.52 -0.81 3.17 1.43 0.07 -2.03 118.68 126.17 2krt s LEU 86 Ca 0.11 0.46 -0.25 0.00 -1.03 0.00 0.00 54.13 53.42 2krt s LEU 86 Cb -0.18 -3.34 0.04 0.00 0.03 0.00 0.00 46.19 42.74 2krt s LEU 86 CO 0.12 -1.48 1.29 -0.55 0.23 0.00 0.00 176.35 175.97 2krt s SER 87 N 3.54 6.27 -0.12 2.29 0.15 -0.96 -1.22 113.70 123.64 2krt s SER 87 Ca 0.52 -0.81 -0.05 0.00 0.70 0.00 0.00 55.95 56.32 2krt s SER 87 Cb -0.10 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.63 2krt s SER 87 CO 0.29 -1.70 0.04 -0.76 1.20 0.00 0.00 173.24 172.32 2krt s LEU 88 N 5.30 3.79 -0.44 3.45 1.02 -0.61 -0.14 118.68 131.06 2krt s LEU 88 Ca 0.37 0.17 -0.13 0.00 0.02 0.00 0.00 54.13 54.56 2krt s LEU 88 Cb -0.07 -1.91 0.07 0.00 0.02 0.00 0.00 46.19 44.30 2krt s LEU 88 CO 0.07 0.31 0.33 0.00 0.02 0.00 0.00 176.35 177.08 2krt s MET 89 N -0.47 2.83 -0.62 1.70 0.23 -0.13 -0.83 119.30 122.01 2krt s MET 89 Ca 0.09 -1.35 -0.26 0.00 -1.03 0.00 0.00 55.69 53.14 2krt s MET 89 Cb -0.12 -3.96 0.04 0.00 -1.53 0.00 0.00 34.83 29.25 2krt s MET 89 CO 0.02 -0.96 1.13 -0.51 -2.03 0.00 0.00 175.02 172.67 2krt s LEU 90 N 1.56 3.64 -0.07 0.18 2.01 0.23 -3.58 118.68 122.65 2krt s LEU 90 Ca 0.03 -0.25 -0.27 0.00 0.01 0.00 0.00 54.13 53.65 2krt s LEU 90 Cb -0.23 -2.86 -0.03 0.00 0.01 0.00 0.00 46.19 43.08 2krt s LEU 90 CO 0.05 -1.50 0.87 -0.89 1.01 0.00 0.00 176.35 175.89 2krt s THR 91 N 4.79 4.91 -0.07 5.49 2.01 -1.14 -0.74 115.64 130.88 2krt s THR 91 Ca 0.36 1.79 -0.29 0.00 0.31 0.00 0.00 61.69 63.85 2krt s THR 91 Cb -0.10 -4.20 -0.06 0.00 0.01 0.00 0.00 72.50 68.15 2krt s THR 91 CO 0.20 0.14 1.87 -1.81 -0.69 0.00 0.00 174.62 174.33 2krt s ASP 92 N 0.99 6.32 0.47 3.53 1.11 0.27 -2.18 116.67 127.17 2krt s ASP 92 Ca 0.44 2.25 0.30 0.00 0.18 0.00 0.00 52.55 55.72 2krt s ASP 92 Cb -0.19 -2.53 1.14 0.00 1.07 0.00 0.00 42.92 42.41 2krt s ASP 92 CO 0.20 -1.22 1.88 0.11 1.18 0.00 0.00 175.17 177.32 2krt h LYS 93 N 11.14 0.00 0.00 8.23 1.79 -1.83 -0.77 116.57 135.13 2krt h LYS 93 Ca -0.43 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 2krt h LYS 93 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 2krt h LYS 93 CO 0.96 0.00 -0.42 0.36 -1.08 0.00 0.00 179.45 179.27 2krt n LYS 94 N -2.90 4.06 0.00 3.15 2.85 -1.26 -4.65 118.16 119.41 2krt n LYS 94 Ca 0.02 -0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 2krt n LYS 94 Cb 0.33 -0.92 0.00 0.00 -0.65 0.00 0.00 35.03 33.79 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 -1.21 0.13 0.00 -5.58 3.02 -1.24 -5.01 115.26 105.37 2krt n ASN 95 Ca 0.02 -0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 2krt n ASN 95 Cb 0.14 0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 2krt n ASN 95 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2krt n ASN 96 N -0.48 -4.24 -2.59 6.41 4.05 -0.29 -4.98 115.26 113.15 2krt n ASN 96 Ca 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 54.58 54.95 2krt n ASN 96 Cb 0.00 -2.56 0.05 0.00 1.23 0.00 0.00 39.78 38.50 2krt n ASN 96 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2krt n GLN 97 N -0.40 -0.22 -3.74 1.20 1.13 -1.26 -4.73 117.38 109.37 2krt n GLN 97 Ca 0.00 -0.63 -0.13 0.00 -1.94 0.00 0.00 57.00 54.30 2krt n GLN 97 Cb 0.30 -0.35 -0.13 0.00 0.11 0.00 0.00 30.24 30.17 2krt n GLN 97 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2krt s VAL 98 N -1.61 -0.04 0.06 5.09 0.11 -1.26 -0.57 120.40 122.18 2krt s VAL 98 Ca 0.21 0.14 0.08 0.00 -2.93 0.00 0.00 61.98 59.48 2krt s VAL 98 Cb -0.01 -0.35 -0.03 0.00 -1.53 0.00 0.00 36.38 34.46 2krt s VAL 98 CO 0.15 0.06 -0.19 -0.47 -3.33 0.00 0.00 175.10 171.32 2krt s TYR 99 N 1.18 2.54 -0.10 1.54 5.04 0.08 -4.95 117.35 122.67 2krt s TYR 99 Ca -0.09 -0.27 -0.01 0.00 -2.44 0.00 0.00 57.07 54.27 2krt s TYR 99 Cb -0.10 -1.43 -0.03 0.00 0.35 0.00 0.00 41.96 40.75 2krt s TYR 99 CO -0.08 0.27 -0.06 0.71 -1.34 0.00 0.00 175.55 175.06 2krt s TYR 100 N -0.96 2.98 -0.07 4.97 2.02 -1.26 0.75 117.35 125.78 2krt s TYR 100 Ca 0.15 -0.09 -0.03 0.00 -0.37 0.00 0.00 57.07 56.73 2krt s TYR 100 Cb -0.10 -1.80 0.04 0.00 -0.40 0.00 0.00 41.96 39.70 2krt s TYR 100 CO 0.06 0.21 0.13 0.21 -1.57 0.00 0.00 175.55 174.59 2krt s LYS 101 N -0.42 0.00 0.03 -0.62 2.47 -0.01 -4.98 119.74 116.22 2krt s LYS 101 Ca 0.06 0.49 -0.26 0.00 -1.56 0.00 0.00 55.97 54.71 2krt s LYS 101 Cb -0.12 -0.33 -0.05 0.00 -1.46 0.00 0.00 37.83 35.87 2krt s LYS 101 CO 0.02 -0.30 0.80 -0.51 0.16 0.00 0.00 175.35 175.52 2krt s LEU 102 N 2.15 4.43 -0.27 5.43 1.43 -1.26 -1.57 118.68 129.03 2krt s LEU 102 Ca 0.02 1.47 -0.02 0.00 -1.03 0.00 0.00 54.13 54.57 2krt s LEU 102 Cb -0.12 -3.28 0.03 0.00 0.03 0.00 0.00 46.19 42.85 2krt s LEU 102 CO -0.05 -0.04 -0.03 -0.76 0.23 0.00 0.00 176.35 175.70 2krt s LEU 103 N 0.17 3.45 -0.69 1.79 1.43 -0.35 -4.85 118.68 119.62 2krt s LEU 103 Ca 0.41 -0.97 -0.27 0.00 -1.03 0.00 0.00 54.13 52.26 2krt s LEU 103 Cb -0.20 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.34 2krt s LEU 103 CO 0.23 -0.17 1.34 -1.61 0.23 0.00 0.00 176.35 176.37 2krt s GLU 104 N 1.32 3.19 0.28 1.70 8.01 -1.26 -0.75 118.70 131.19 2krt s GLU 104 Ca -0.01 -0.02 0.11 0.00 0.01 0.00 0.00 54.97 55.05 2krt s GLU 104 Cb -0.18 -4.17 -0.05 0.00 -4.31 0.00 0.00 34.13 25.42 2krt s GLU 104 CO -0.03 -2.12 -0.10 0.14 0.01 0.00 0.00 175.26 173.15 2krt s VAL 105 N 6.00 2.86 0.25 2.63 -7.23 -0.15 -4.96 120.40 119.81 2krt s VAL 105 Ca 0.41 -2.17 0.02 0.00 -1.81 0.00 0.00 61.98 58.43 2krt s VAL 105 Cb -0.09 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 2krt s VAL 105 CO 0.18 -0.37 0.19 -0.55 -0.31 0.00 0.00 175.10 174.25 2krt s SER 106 N -3.60 0.74 0.00 4.85 0.15 -1.26 -1.28 113.70 113.31 2krt s SER 106 Ca 0.31 -1.53 0.00 0.00 0.70 0.00 0.00 55.95 55.43 2krt s SER 106 Cb -0.05 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 2krt s SER 106 CO 0.17 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.29 2krt n GLY 107 N -0.41 1.39 0.46 9.45 0.00 -1.24 -5.00 105.19 109.84 2krt n GLY 107 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 2krt n GLY 107 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2krt h PHE 108 N 0.00 -1.07 -3.81 1.61 0.04 -1.70 -3.39 116.94 108.62 2krt h PHE 108 Ca 0.00 -0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.65 2krt h PHE 108 Cb 0.00 0.35 -0.13 0.00 2.20 0.00 0.00 35.95 38.37 2krt h PHE 108 CO 0.00 -0.66 -0.32 0.21 -0.60 0.00 0.00 178.31 176.94 2krt s LYS 109 N -5.60 1.03 -0.29 1.51 2.47 -1.26 -4.19 119.74 113.41 2krt s LYS 109 Ca -0.18 -1.05 0.02 0.00 -1.56 0.00 0.00 55.97 53.20 2krt s LYS 109 Cb 0.02 0.37 0.20 0.00 -1.46 0.00 0.00 37.83 36.96 2krt s LYS 109 CO 0.55 -0.36 0.64 -1.54 0.16 0.00 0.00 175.35 174.80 2krt s SER 110 N -2.91 -1.45 -0.74 1.43 1.04 -1.25 -3.60 113.70 106.21 2krt s SER 110 Ca 0.11 0.34 0.04 0.00 0.48 0.00 0.00 55.95 56.92 2krt s SER 110 Cb 0.04 1.99 0.23 0.00 0.10 0.00 0.00 66.02 68.37 2krt s SER 110 CO -0.05 -0.27 0.74 0.59 0.98 0.00 0.00 173.24 175.24 2krt n ASN 111 N 5.40 3.86 0.07 7.02 4.13 -0.60 -4.96 115.26 130.17 2krt n ASN 111 Ca 0.04 -3.32 -0.13 0.00 1.68 0.00 0.00 54.58 52.84 2krt n ASN 111 Cb 0.54 -0.81 -0.08 0.00 -1.54 0.00 0.00 39.78 37.88 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 4.95 -0.12 -0.22 3.52 0.13 -1.87 -3.28 132.00 135.11 2krt h PRO 112 Ca 0.18 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2krt h PRO 112 Cb 0.71 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.86 2krt h PRO 112 CO 0.85 0.07 0.00 2.48 -0.23 0.00 0.00 178.00 181.17 2krt n TYR 113 N -5.07 0.44 -1.08 1.56 0.18 -1.26 -4.59 117.16 107.34 2krt n TYR 113 Ca -0.08 -0.65 0.05 0.00 1.88 0.00 0.00 57.90 59.10 2krt n TYR 113 Cb 0.14 -0.12 0.26 0.00 -0.38 0.00 0.00 39.34 39.24 2krt n TYR 113 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 2krt n LEU 114 N -0.16 4.27 -4.05 -3.48 4.77 -1.23 -4.87 117.00 112.25 2krt n LEU 114 Ca 0.12 -3.17 -0.34 0.00 -0.03 0.00 0.00 56.01 52.59 2krt n LEU 114 Cb 0.53 -0.59 -0.12 0.00 -2.33 0.00 0.00 43.42 40.91 2krt n LEU 114 CO 0.07 0.79 -0.12 -0.70 -1.33 0.00 0.00 177.39 176.10 2krt s GLU 115 N -2.92 2.12 -0.22 3.23 -6.30 -1.26 -4.79 118.70 108.56 2krt s GLU 115 Ca 0.45 -2.29 0.20 0.00 -2.50 0.00 0.00 54.97 50.83 2krt s GLU 115 Cb 0.37 -3.52 0.45 0.00 0.00 0.00 0.00 34.13 31.43 2krt s GLU 115 CO 0.08 -1.10 1.20 1.58 0.02 0.00 0.00 175.26 177.04 2krt n HIS 116 N 3.76 0.33 -3.10 5.30 -0.00 -1.26 -5.11 115.22 115.13 2krt n HIS 116 Ca 0.04 -1.71 -0.41 0.00 0.46 0.00 0.00 57.72 56.10 2krt n HIS 116 Cb 0.38 0.18 -0.06 0.00 -0.12 0.00 0.00 29.99 30.37 2krt n HIS 116 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2krt s HIS 117 N -2.22 3.30 -0.15 1.57 3.76 -1.26 -5.05 115.29 115.23 2krt s HIS 117 Ca 0.23 0.85 -0.03 0.00 -0.15 0.00 0.00 55.06 55.95 2krt s HIS 117 Cb 0.34 -2.84 -0.03 0.00 1.11 0.00 0.00 32.58 31.16 2krt s HIS 117 CO -0.08 -0.30 -0.04 -3.38 -0.85 0.00 0.00 174.74 170.09 2krt s HIS 118 N 2.42 3.02 0.12 1.40 -3.43 -1.26 -5.01 115.29 112.54 2krt s HIS 118 Ca 0.27 -0.30 -0.14 0.00 -0.80 0.00 0.00 55.06 54.09 2krt s HIS 118 Cb -0.16 -1.95 -0.04 0.00 -1.43 0.00 0.00 32.58 29.01 2krt s HIS 118 CO 0.09 -0.03 1.50 0.45 -2.00 0.00 0.00 174.74 174.75 2krt h HIS 119 N 6.66 0.89 -3.05 0.38 3.86 -2.08 -3.47 115.15 118.33 2krt h HIS 119 Ca -0.31 -0.21 0.01 0.00 -1.16 0.00 0.00 60.37 58.69 2krt h HIS 119 Cb 1.19 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 29.43 2krt h HIS 119 CO 0.53 0.95 0.23 -3.38 0.86 0.00 0.00 177.93 177.12 2krt s HIS 120 N -4.66 0.03 -2.71 2.45 -3.43 -1.26 -5.37 115.29 100.34 2krt s HIS 120 Ca -0.12 -0.59 0.26 0.00 -0.80 0.00 0.00 55.06 53.81 2krt s HIS 120 Cb 0.10 0.74 0.69 0.00 -1.43 0.00 0.00 32.58 32.68 2krt s HIS 120 CO 0.83 -1.40 1.54 1.58 -2.00 0.00 0.00 174.74 175.28