#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0r s ALA 2 N 0.00 3.01 -0.30 3.04 0.00 -1.26 -4.97 121.76 121.28 2k0r s ALA 2 Ca 0.00 1.07 0.18 0.00 0.00 0.00 0.00 51.96 53.21 2k0r s ALA 2 Cb 0.00 -3.44 0.46 0.00 0.00 0.00 0.00 23.12 20.15 2k0r s ALA 2 CO 0.00 -0.82 1.24 1.47 0.00 0.00 0.00 175.76 177.65 2k0r n LEU 3 N -0.43 0.38 -1.80 0.00 -0.00 -1.26 -4.95 117.00 108.94 2k0r n LEU 3 Ca 0.07 -3.21 -0.20 0.00 -0.00 0.00 0.00 56.01 52.67 2k0r n LEU 3 Cb 0.46 0.32 -0.06 0.00 -0.00 0.00 0.00 43.42 44.15 2k0r n LEU 3 CO 0.50 1.38 -0.21 -0.67 -0.00 0.00 0.00 177.39 178.39 2k0r n ASP 4 N -0.80 -5.51 -2.72 1.45 -0.08 -1.26 -4.85 116.55 102.78 2k0r n ASP 4 Ca -0.01 0.31 -0.06 0.00 -1.51 0.00 0.00 54.79 53.52 2k0r n ASP 4 Cb 0.83 -4.69 0.06 0.00 2.34 0.00 0.00 41.12 39.66 2k0r n ASP 4 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k0r n ALA 5 N 0.18 -2.38 -3.94 -1.67 0.00 -1.26 -4.33 120.51 107.11 2k0r n ALA 5 Ca -0.21 -0.89 0.05 0.00 0.00 0.00 0.00 53.44 52.38 2k0r n ALA 5 Cb 0.66 -2.16 0.01 0.00 0.00 0.00 0.00 19.45 17.97 2k0r n ALA 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k0r s ASN 6 N -0.85 -0.00 -0.16 0.00 6.03 -1.26 -4.07 114.94 114.63 2k0r s ASN 6 Ca 0.29 -0.02 0.10 0.00 -1.03 0.00 0.00 52.86 52.20 2k0r s ASN 6 Cb 0.20 0.02 0.58 0.00 -3.03 0.00 0.00 41.25 39.02 2k0r s ASN 6 CO -0.17 -0.03 1.39 -0.90 -2.03 0.00 0.00 177.10 175.36 2k0r n ASP 7 N -0.90 4.31 0.02 3.54 5.75 -1.26 -3.96 116.55 124.04 2k0r n ASP 7 Ca 0.03 -2.63 0.11 0.00 -0.01 0.00 0.00 54.79 52.29 2k0r n ASP 7 Cb 0.59 -0.62 0.11 0.00 -1.03 0.00 0.00 41.12 40.17 2k0r n ASP 7 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2k0r n LEU 8 N 0.47 0.63 -4.77 -2.12 4.32 -1.26 -4.92 117.00 109.36 2k0r n LEU 8 Ca 0.20 -0.06 -0.23 0.00 -0.02 0.00 0.00 56.01 55.91 2k0r n LEU 8 Cb 0.91 -0.15 -0.05 0.00 -1.62 0.00 0.00 43.42 42.50 2k0r n LEU 8 CO 0.23 0.10 -0.22 -1.48 -1.22 0.00 0.00 177.39 174.79 2k0r s LEU 9 N -3.45 3.63 0.91 2.23 0.05 -1.25 -4.85 118.68 115.94 2k0r s LEU 9 Ca 0.08 -0.35 -0.12 0.00 0.05 0.00 0.00 54.13 53.79 2k0r s LEU 9 Cb 0.16 -2.17 0.13 0.00 -2.05 0.00 0.00 46.19 42.26 2k0r s LEU 9 CO 0.76 -0.02 1.09 -2.16 -0.55 0.00 0.00 176.35 175.48 2k0r s PRO 10 N -3.73 1.18 0.52 1.48 0.04 -1.26 -4.82 135.00 128.40 2k0r s PRO 10 Ca 0.32 0.79 0.33 0.00 0.04 0.00 0.00 61.00 62.48 2k0r s PRO 10 Cb -0.08 -1.80 1.36 0.00 0.04 0.00 0.00 34.50 34.02 2k0r s PRO 10 CO 0.23 -2.29 1.96 -1.00 0.04 0.00 0.00 177.00 175.95 2k0r h PRO 11 N -1.58 0.00 -0.13 0.56 0.13 -1.99 -0.26 132.00 128.73 2k0r h PRO 11 Ca -0.50 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.48 2k0r h PRO 11 Cb 1.29 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.42 2k0r h PRO 11 CO 0.55 0.00 -0.51 1.05 -0.23 0.00 0.00 178.00 178.86 2k0r h GLU 12 N 0.00 0.57 0.00 0.86 -0.00 -1.92 -3.21 114.58 110.89 2k0r h GLU 12 Ca 0.00 -0.44 0.00 0.00 -0.00 0.00 0.00 59.36 58.92 2k0r h GLU 12 Cb 0.47 0.08 0.00 0.00 -0.00 0.00 0.00 28.75 29.30 2k0r h GLU 12 CO 0.00 1.07 -0.79 1.17 -0.00 0.00 0.00 179.01 180.45 2k0r n LYS 13 N -4.21 0.26 0.20 1.06 0.00 -1.16 -3.91 118.16 110.41 2k0r n LYS 13 Ca -0.07 0.04 0.06 0.00 0.00 0.00 0.00 58.31 58.33 2k0r n LYS 13 Cb 0.60 -1.63 0.40 0.00 0.00 0.00 0.00 35.03 34.40 2k0r n LYS 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k0r h ALA 14 N 2.57 1.14 -3.60 3.14 0.00 -1.07 -3.43 119.26 118.02 2k0r h ALA 14 Ca 0.00 -0.31 -0.68 0.00 0.00 0.00 0.00 54.91 53.92 2k0r h ALA 14 Cb 0.71 -0.05 -0.32 0.00 0.00 0.00 0.00 17.79 18.13 2k0r h ALA 14 CO 0.00 0.43 -0.87 -0.06 0.00 0.00 0.00 179.25 178.75 2k0r s PHE 15 N -3.85 2.55 -0.74 0.00 0.08 -1.21 -0.06 117.98 114.73 2k0r s PHE 15 Ca -0.01 -0.87 0.02 0.00 0.12 0.00 0.00 56.93 56.19 2k0r s PHE 15 Cb 0.12 -1.68 0.18 0.00 -0.57 0.00 0.00 43.02 41.07 2k0r s PHE 15 CO 0.68 -0.31 0.56 0.08 -0.10 0.00 0.00 175.22 176.13 2k0r s VAL 16 N 0.13 3.42 0.32 -0.44 1.01 0.11 -4.89 120.40 120.06 2k0r s VAL 16 Ca -0.12 -3.95 -0.28 0.00 0.00 0.00 0.00 61.98 57.63 2k0r s VAL 16 Cb -0.16 -3.20 -0.10 0.00 0.00 0.00 0.00 36.38 32.92 2k0r s VAL 16 CO 0.07 -1.00 1.22 -2.16 0.00 0.00 0.00 175.10 173.22 2k0r s PRO 17 N -1.20 4.40 -0.07 2.72 0.04 -1.26 -1.56 135.00 138.08 2k0r s PRO 17 Ca 0.24 2.03 -0.03 0.00 0.04 0.00 0.00 61.00 63.29 2k0r s PRO 17 Cb -0.09 -3.05 0.04 0.00 0.04 0.00 0.00 34.50 31.44 2k0r s PRO 17 CO -0.13 -0.08 0.14 -2.00 0.04 0.00 0.00 177.00 174.98 2k0r s GLU 18 N -1.75 0.08 0.03 4.56 2.12 0.13 -4.92 118.70 118.96 2k0r s GLU 18 Ca 0.49 0.38 0.00 0.00 0.36 0.00 0.00 54.97 56.20 2k0r s GLU 18 Cb -0.36 -0.19 -0.04 0.00 0.26 0.00 0.00 34.13 33.80 2k0r s GLU 18 CO 0.47 -0.18 0.11 -1.17 -0.54 0.00 0.00 175.26 173.96 2k0r s LEU 19 N 1.25 4.01 -0.26 2.70 1.98 -1.08 -0.72 118.68 126.56 2k0r s LEU 19 Ca -0.08 0.15 -0.01 0.00 -2.89 0.00 0.00 54.13 51.29 2k0r s LEU 19 Cb -0.12 -2.49 0.13 0.00 0.66 0.00 0.00 46.19 44.37 2k0r s LEU 19 CO -0.06 0.22 0.34 0.00 -1.89 0.00 0.00 176.35 174.96 2k0r s ALA 20 N -1.32 -0.80 0.21 5.97 0.00 0.12 -3.29 121.76 122.65 2k0r s ALA 20 Ca 0.27 0.28 -0.30 0.00 0.00 0.00 0.00 51.96 52.22 2k0r s ALA 20 Cb -0.12 -1.75 -0.08 0.00 0.00 0.00 0.00 23.12 21.16 2k0r s ALA 20 CO 0.19 -1.50 1.06 0.08 0.00 0.00 0.00 175.76 175.59 2k0r s VAL 21 N 2.46 3.84 0.38 0.00 1.01 0.28 -0.18 120.40 128.19 2k0r s VAL 21 Ca 0.10 1.71 0.00 0.00 0.00 0.00 0.00 61.98 63.79 2k0r s VAL 21 Cb -0.14 -4.09 -0.00 0.00 0.00 0.00 0.00 36.38 32.15 2k0r s VAL 21 CO -0.24 0.35 0.01 0.00 0.00 0.00 0.00 175.10 175.22 2k0r n ALA 22 N 1.88 0.33 0.11 5.51 0.00 0.11 -4.78 120.51 123.67 2k0r n ALA 22 Ca 0.01 -1.71 0.11 0.00 0.00 0.00 0.00 53.44 51.85 2k0r n ALA 22 Cb 0.46 0.95 -0.02 0.00 0.00 0.00 0.00 19.45 20.84 2k0r n ALA 22 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k0r n ASP 23 N -1.26 0.71 -0.08 0.00 -0.08 -1.26 -4.06 116.55 110.52 2k0r n ASP 23 Ca -0.15 0.26 0.06 0.00 -1.51 0.00 0.00 54.79 53.45 2k0r n ASP 23 Cb 0.48 0.69 0.09 0.00 2.34 0.00 0.00 41.12 44.73 2k0r n ASP 23 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2k0r n ASP 24 N -2.58 2.27 0.00 1.67 8.00 -1.26 -5.05 116.55 119.60 2k0r n ASP 24 Ca -0.01 -2.64 0.00 0.00 0.71 0.00 0.00 54.79 52.85 2k0r n ASP 24 Cb 0.55 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 2k0r n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k0r n GLY 25 N -1.01 -0.17 3.28 0.44 0.00 -1.26 -3.08 105.19 103.39 2k0r n GLY 25 Ca 0.10 -1.43 -0.21 0.00 0.00 0.00 0.00 46.02 44.48 2k0r n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k0r s VAL 26 N -2.87 1.58 -0.09 1.61 1.01 -0.23 0.05 120.40 121.47 2k0r s VAL 26 Ca 0.00 -1.71 -0.01 0.00 0.00 0.00 0.00 61.98 60.27 2k0r s VAL 26 Cb 0.00 -1.61 0.03 0.00 0.00 0.00 0.00 36.38 34.80 2k0r s VAL 26 CO 0.00 -0.27 -0.04 0.21 0.00 0.00 0.00 175.10 175.00 2k0r s ASN 27 N -2.32 1.83 -0.12 3.32 2.47 0.75 -0.09 114.94 120.77 2k0r s ASN 27 Ca 0.10 -0.19 0.01 0.00 0.42 0.00 0.00 52.86 53.20 2k0r s ASN 27 Cb -0.07 -0.63 0.02 0.00 -1.45 0.00 0.00 41.25 39.12 2k0r s ASN 27 CO 0.05 -0.15 -0.16 0.54 -3.72 0.00 0.00 177.10 173.66 2k0r s VAL 28 N 1.77 1.59 -0.06 -5.21 0.11 -0.76 0.15 120.40 117.98 2k0r s VAL 28 Ca 0.04 -0.68 0.03 0.00 -2.93 0.00 0.00 61.98 58.44 2k0r s VAL 28 Cb -0.13 -1.45 0.01 0.00 -1.53 0.00 0.00 36.38 33.28 2k0r s VAL 28 CO -0.06 0.46 -0.16 -0.60 -3.33 0.00 0.00 175.10 171.41 2k0r s ARG 29 N 1.11 1.99 -0.18 1.54 3.00 0.10 0.03 118.95 126.54 2k0r s ARG 29 Ca -0.03 -0.57 0.01 0.00 -1.00 0.00 0.00 55.73 54.14 2k0r s ARG 29 Cb -0.14 -1.63 0.03 0.00 0.00 0.00 0.00 34.95 33.21 2k0r s ARG 29 CO -0.04 0.13 -0.13 -0.59 0.00 0.00 0.00 175.30 174.67 2k0r s PHE 30 N 0.39 2.41 -0.30 5.12 -0.71 0.68 0.22 117.98 125.79 2k0r s PHE 30 Ca -0.12 -1.50 -0.28 0.00 -1.04 0.00 0.00 56.93 53.99 2k0r s PHE 30 Cb -0.15 -1.67 0.01 0.00 -1.21 0.00 0.00 43.02 40.00 2k0r s PHE 30 CO 0.04 -0.73 1.00 1.03 -1.34 0.00 0.00 175.22 175.22 2k0r s ARG 31 N 1.40 4.07 0.03 1.99 0.52 -0.60 -3.24 118.95 123.13 2k0r s ARG 31 Ca 0.01 1.00 -0.07 0.00 -0.52 0.00 0.00 55.73 56.16 2k0r s ARG 31 Cb -0.15 -3.72 -0.05 0.00 0.52 0.00 0.00 34.95 31.55 2k0r s ARG 31 CO -0.09 -0.81 0.30 0.42 0.02 0.00 0.00 175.30 175.13 2k0r s ILE 32 N 3.43 5.26 0.50 1.52 1.01 0.10 0.06 121.20 133.08 2k0r s ILE 32 Ca 0.42 0.19 -0.23 0.00 0.00 0.00 0.00 60.65 61.04 2k0r s ILE 32 Cb -0.13 -3.59 -0.06 0.00 0.01 0.00 0.00 42.46 38.69 2k0r s ILE 32 CO 0.13 0.32 1.28 0.00 0.00 0.00 0.00 174.94 176.67 2k0r s ALA 33 N -1.35 2.92 0.66 9.38 0.00 0.91 -4.18 121.76 130.10 2k0r s ALA 33 Ca 0.30 1.17 0.41 0.00 0.00 0.00 0.00 51.96 53.83 2k0r s ALA 33 Cb -0.13 -3.49 2.23 0.00 0.00 0.00 0.00 23.12 21.73 2k0r s ALA 33 CO 0.17 -1.05 2.26 0.22 0.00 0.00 0.00 175.76 177.36 2k0r h ASP 34 N 1.79 0.00 -0.11 0.00 3.58 -1.76 0.23 116.42 120.15 2k0r h ASP 34 Ca -0.50 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.95 2k0r h ASP 34 Cb 1.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.32 2k0r h ASP 34 CO 0.59 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.56 2k0r n GLY 35 N -1.12 0.23 3.28 -0.78 0.00 -1.26 -4.77 105.19 100.77 2k0r n GLY 35 Ca -0.03 -0.45 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 2k0r n GLY 35 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0r s TYR 36 N -1.87 1.37 -0.22 1.61 2.02 0.79 -0.76 117.35 120.29 2k0r s TYR 36 Ca 0.35 -0.77 -0.14 0.00 -0.37 0.00 0.00 57.07 56.14 2k0r s TYR 36 Cb 0.19 -0.71 0.06 0.00 -0.40 0.00 0.00 41.96 41.11 2k0r s TYR 36 CO 0.29 0.09 0.54 1.52 -1.57 0.00 0.00 175.55 176.43 2k0r s TYR 37 N -3.30 -0.76 -0.05 2.71 -0.85 0.38 -4.62 117.35 110.86 2k0r s TYR 37 Ca 0.19 1.63 0.03 0.00 -0.52 0.00 0.00 57.07 58.40 2k0r s TYR 37 Cb 0.03 0.38 -0.03 0.00 0.38 0.00 0.00 41.96 42.72 2k0r s TYR 37 CO 0.03 -0.39 -0.11 -1.64 -1.52 0.00 0.00 175.55 171.91 2k0r s MET 38 N 1.18 2.56 -0.08 -3.49 -1.94 -1.06 -0.68 119.30 115.79 2k0r s MET 38 Ca -0.07 -0.67 -0.30 0.00 -1.71 0.00 0.00 55.69 52.95 2k0r s MET 38 Cb -0.06 -2.45 -0.02 0.00 2.01 0.00 0.00 34.83 34.32 2k0r s MET 38 CO -0.12 0.63 1.01 0.71 -0.01 0.00 0.00 175.02 177.25 2k0r s TYR 39 N -0.79 3.52 0.26 -0.03 2.02 -1.18 -0.71 117.35 120.43 2k0r s TYR 39 Ca 0.12 1.59 -0.03 0.00 -0.37 0.00 0.00 57.07 58.39 2k0r s TYR 39 Cb -0.11 -3.19 0.52 0.00 -0.40 0.00 0.00 41.96 38.78 2k0r s TYR 39 CO 0.02 -0.25 1.70 0.37 -1.57 0.00 0.00 175.55 175.81 2k0r h GLN 40 N 7.06 0.32 -0.20 -0.62 4.15 -0.88 0.39 115.11 125.33 2k0r h GLN 40 Ca -0.33 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.01 2k0r h GLN 40 Cb 1.16 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.76 2k0r h GLN 40 CO 0.84 0.21 -0.13 0.00 -1.93 0.00 0.00 178.83 177.82 2k0r h ALA 41 N 1.62 1.40 0.01 3.38 0.00 -1.92 -2.75 119.26 120.99 2k0r h ALA 41 Ca 0.45 -0.23 -0.23 0.00 0.00 0.00 0.00 54.91 54.89 2k0r h ALA 41 Cb 0.77 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.46 2k0r h ALA 41 CO -0.50 0.41 -0.97 0.87 0.00 0.00 0.00 179.25 179.07 2k0r h LYS 42 N 0.31 0.44 -6.90 0.00 1.79 -0.75 -3.45 116.57 108.02 2k0r h LYS 42 Ca 0.06 -0.48 -0.52 0.00 -2.18 0.00 0.00 60.65 57.53 2k0r h LYS 42 Cb 0.42 0.14 0.07 0.00 -1.58 0.00 0.00 32.23 31.28 2k0r h LYS 42 CO 0.02 1.14 0.62 0.42 -1.08 0.00 0.00 179.45 180.57 2k0r s ILE 43 N -3.25 2.73 0.08 1.86 1.01 0.98 -4.59 121.20 120.02 2k0r s ILE 43 Ca -0.06 0.71 0.03 0.00 0.00 0.00 0.00 60.65 61.33 2k0r s ILE 43 Cb 0.08 -3.44 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 2k0r s ILE 43 CO 0.87 0.15 -0.09 -0.69 0.00 0.00 0.00 174.94 175.18 2k0r s VAL 44 N -1.19 0.82 -0.30 2.92 1.01 0.30 -4.93 120.40 119.02 2k0r s VAL 44 Ca 0.51 -1.52 -0.13 0.00 0.00 0.00 0.00 61.98 60.84 2k0r s VAL 44 Cb -0.39 -1.20 0.18 0.00 0.00 0.00 0.00 36.38 34.97 2k0r s VAL 44 CO 0.51 -0.54 1.04 -0.83 0.00 0.00 0.00 175.10 175.28 2k0r s GLY 45 N -2.27 -0.30 -0.00 4.51 0.00 -1.25 -1.34 107.32 106.67 2k0r s GLY 45 Ca 0.02 2.84 -0.00 0.00 0.00 0.00 0.00 44.72 47.58 2k0r s GLY 45 CO -0.00 3.68 0.01 -1.59 0.00 0.00 0.00 173.10 175.20 2k0r s LYS 46 N 2.82 -0.00 -0.05 2.90 0.00 -0.53 -4.79 119.74 120.09 2k0r s LYS 46 Ca -0.00 0.04 -0.00 0.00 0.00 0.00 0.00 55.97 56.00 2k0r s LYS 46 Cb -0.09 -0.05 0.03 0.00 0.00 0.00 0.00 37.83 37.72 2k0r s LYS 46 CO -0.13 -0.03 -0.01 -0.08 0.00 0.00 0.00 175.35 175.10 2k0r s THR 47 N 0.20 0.33 -0.29 3.79 -1.32 -1.26 0.01 115.64 117.11 2k0r s THR 47 Ca -0.02 0.06 -0.39 0.00 -1.21 0.00 0.00 61.69 60.14 2k0r s THR 47 Cb -0.02 -0.44 0.16 0.00 -1.51 0.00 0.00 72.50 70.68 2k0r s THR 47 CO -0.01 0.21 1.38 0.54 -2.21 0.00 0.00 174.62 174.54 2k0r s ASN 48 N 1.42 -0.01 0.10 8.08 6.03 0.09 -4.56 114.94 126.08 2k0r s ASN 48 Ca -0.04 -0.00 -0.15 0.00 -1.03 0.00 0.00 52.86 51.64 2k0r s ASN 48 Cb -0.13 0.01 -0.09 0.00 -3.03 0.00 0.00 41.25 38.02 2k0r s ASN 48 CO -0.03 -0.02 1.42 1.55 -2.03 0.00 0.00 177.10 177.99 2k0r h PRO 49 N 2.00 0.70 -0.32 3.55 0.13 -1.83 -1.92 132.00 134.31 2k0r h PRO 49 Ca -0.02 -0.37 -0.23 0.00 -0.87 0.00 0.00 66.00 64.50 2k0r h PRO 49 Cb 1.13 0.01 -0.29 0.00 0.13 0.00 0.00 31.00 31.98 2k0r h PRO 49 CO 0.19 0.99 -0.77 0.00 -0.23 0.00 0.00 178.00 178.18 2k0r n ALA 50 N -2.50 2.66 -3.22 -0.56 0.00 -1.26 -4.74 120.51 110.89 2k0r n ALA 50 Ca -0.04 -2.07 -0.15 0.00 0.00 0.00 0.00 53.44 51.18 2k0r n ALA 50 Cb 0.47 -0.88 0.07 0.00 0.00 0.00 0.00 19.45 19.11 2k0r n ALA 50 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k0r n ASP 51 N -0.84 -3.23 -0.05 0.00 2.03 -1.26 -4.94 116.55 108.26 2k0r n ASP 51 Ca -0.02 -0.47 0.00 0.00 0.52 0.00 0.00 54.79 54.82 2k0r n ASP 51 Cb 0.83 -4.16 -0.16 0.00 -0.72 0.00 0.00 41.12 36.92 2k0r n ASP 51 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0r n LEU 52 N -3.70 0.00 -4.48 -2.67 -0.00 -1.26 -4.99 117.00 99.90 2k0r n LEU 52 Ca -0.15 0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 55.48 2k0r n LEU 52 Cb 0.61 0.24 0.03 0.00 -0.00 0.00 0.00 43.42 44.30 2k0r n LEU 52 CO 0.50 0.24 0.11 -0.11 -0.00 0.00 0.00 177.39 178.12 2k0r n LEU 53 N -2.46 0.88 0.00 1.47 7.94 -1.26 -4.45 117.00 119.11 2k0r n LEU 53 Ca -0.18 0.77 0.00 0.00 -1.11 0.00 0.00 56.01 55.50 2k0r n LEU 53 Cb 0.83 -1.18 0.00 0.00 0.53 0.00 0.00 43.42 43.60 2k0r n LEU 53 CO 0.42 -2.92 0.00 0.61 -1.11 0.00 0.00 177.39 174.39 2k0r n GLY 54 N 1.74 -2.02 3.03 -3.96 0.00 -1.08 -4.86 105.19 98.04 2k0r n GLY 54 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 2k0r n GLY 54 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k0r s GLN 55 N 0.00 0.44 0.52 1.61 -2.07 -1.26 -5.06 119.66 113.83 2k0r s GLN 55 Ca 0.00 -0.81 -0.21 0.00 -1.82 0.00 0.00 55.36 52.52 2k0r s GLN 55 Cb 0.00 0.16 -0.06 0.00 -1.09 0.00 0.00 33.01 32.01 2k0r s GLN 55 CO 0.00 -0.08 1.14 -1.25 -1.32 0.00 0.00 175.29 173.78 2k0r s PRO 56 N -2.35 3.48 -0.57 9.60 0.04 -1.26 -4.23 135.00 139.71 2k0r s PRO 56 Ca -0.08 1.67 0.05 0.00 0.04 0.00 0.00 61.00 62.68 2k0r s PRO 56 Cb -0.03 -2.13 0.18 0.00 0.04 0.00 0.00 34.50 32.56 2k0r s PRO 56 CO -0.04 -0.76 0.45 0.43 0.04 0.00 0.00 177.00 177.12 2k0r n SER 57 N -1.05 1.52 -4.68 6.66 7.64 0.11 -4.93 113.62 118.89 2k0r n SER 57 Ca 0.10 -2.86 -0.42 0.00 1.01 0.00 0.00 58.87 56.70 2k0r n SER 57 Cb 0.50 -0.66 -0.03 0.00 -1.01 0.00 0.00 64.21 63.01 2k0r n SER 57 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2k0r s PHE 58 N -0.90 3.46 0.13 1.43 -0.12 -1.26 -0.09 117.98 120.63 2k0r s PHE 58 Ca 0.30 1.50 -0.35 0.00 -0.05 0.00 0.00 56.93 58.32 2k0r s PHE 58 Cb 0.01 -3.16 -0.15 0.00 -0.63 0.00 0.00 43.02 39.09 2k0r s PHE 58 CO -0.17 -0.27 1.42 0.45 -0.05 0.00 0.00 175.22 176.60 2k0r n SER 59 N 5.26 2.19 -4.58 1.98 2.88 0.06 -4.79 113.62 116.63 2k0r n SER 59 Ca 0.08 1.11 -0.42 0.00 -1.33 0.00 0.00 58.87 58.31 2k0r n SER 59 Cb 0.48 -1.29 -0.03 0.00 -0.75 0.00 0.00 64.21 62.62 2k0r n SER 59 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2k0r n LYS 60 N 2.76 1.68 0.00 -1.46 4.81 -1.26 -4.84 118.16 119.85 2k0r n LYS 60 Ca 0.17 0.40 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 2k0r n LYS 60 Cb 0.24 -3.20 0.00 0.00 0.02 0.00 0.00 35.03 32.08 2k0r n LYS 60 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k0r n GLY 61 N 5.90 0.89 3.47 3.14 0.00 -1.26 -5.05 105.19 112.29 2k0r n GLY 61 Ca 0.33 -1.37 -0.33 0.00 0.00 0.00 0.00 46.02 44.64 2k0r n GLY 61 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k0r s GLU 62 N 0.04 3.35 -0.05 1.61 -1.05 0.27 -4.85 118.70 118.02 2k0r s GLU 62 Ca 0.00 -0.59 -0.25 0.00 -0.15 0.00 0.00 54.97 53.98 2k0r s GLU 62 Cb 0.00 -2.73 -0.04 0.00 -0.44 0.00 0.00 34.13 30.92 2k0r s GLU 62 CO 0.00 0.34 0.77 -1.21 0.95 0.00 0.00 175.26 176.11 2k0r s GLU 63 N 0.07 4.47 0.04 -4.83 0.41 -1.26 -0.13 118.70 117.47 2k0r s GLU 63 Ca -0.02 1.02 -0.08 0.00 -0.41 0.00 0.00 54.97 55.47 2k0r s GLU 63 Cb -0.14 -3.45 -0.00 0.00 -1.78 0.00 0.00 34.13 28.76 2k0r s GLU 63 CO 0.03 0.04 0.16 -1.59 -0.49 0.00 0.00 175.26 173.42 2k0r s LYS 64 N 0.83 0.65 -0.12 1.61 0.00 -0.59 -4.97 119.74 117.15 2k0r s LYS 64 Ca 0.41 -0.66 -0.00 0.00 0.00 0.00 0.00 55.97 55.72 2k0r s LYS 64 Cb -0.19 0.27 -0.02 0.00 0.00 0.00 0.00 37.83 37.89 2k0r s LYS 64 CO 0.21 -0.18 -0.12 -1.21 0.00 0.00 0.00 175.35 174.05 2k0r s GLU 65 N -2.53 3.32 0.00 1.78 8.01 -1.26 -1.42 118.70 126.60 2k0r s GLU 65 Ca -0.05 -0.67 0.00 0.00 0.01 0.00 0.00 54.97 54.26 2k0r s GLU 65 Cb -0.01 -2.63 0.00 0.00 -4.31 0.00 0.00 34.13 27.17 2k0r s GLU 65 CO -0.04 0.26 0.00 -3.47 0.01 0.00 0.00 175.26 172.03 2k0r n ASP 66 N 3.38 0.00 -0.31 -0.19 -0.08 -0.51 -4.91 116.55 113.94 2k0r n ASP 66 Ca -0.18 -0.86 0.06 0.00 -1.51 0.00 0.00 54.79 52.30 2k0r n ASP 66 Cb 0.53 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.99 2k0r n ASP 66 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2k0r n GLU 67 N 0.00 1.82 0.00 -0.67 0.28 -1.26 -2.46 120.64 118.35 2k0r n GLU 67 Ca 0.00 -0.74 0.14 0.00 -0.16 0.00 0.00 57.16 56.40 2k0r n GLU 67 Cb 0.00 -1.18 0.53 0.00 1.43 0.00 0.00 31.44 32.22 2k0r n GLU 67 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2k0r n PHE 68 N -0.13 0.00 0.00 -1.84 3.01 -1.26 -4.67 117.46 112.58 2k0r n PHE 68 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 2k0r n PHE 68 Cb 0.27 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.73 2k0r n PHE 68 CO 0.00 0.00 0.00 1.97 1.01 0.00 0.00 176.76 179.74 2k0r n PHE 69 N 0.05 0.00 0.00 1.38 -1.74 -1.26 -5.16 117.46 110.72 2k0r n PHE 69 Ca 0.19 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.08 2k0r n PHE 69 Cb 0.34 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.34 2k0r n PHE 69 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2k0r n GLY 70 N -0.38 0.21 3.43 4.97 0.00 -1.03 -4.90 105.19 107.48 2k0r n GLY 70 Ca 0.00 -1.93 -0.44 0.00 0.00 0.00 0.00 46.02 43.65 2k0r n GLY 70 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k0r s ARG 71 N 0.00 3.11 0.24 1.61 3.00 -1.26 -1.42 118.95 124.24 2k0r s ARG 71 Ca 0.00 -0.98 -0.14 0.00 0.00 0.00 0.00 55.73 54.61 2k0r s ARG 71 Cb 0.00 -4.18 0.00 0.00 0.00 0.00 0.00 34.95 30.77 2k0r s ARG 71 CO 0.00 -1.48 0.50 -0.65 0.00 0.00 0.00 175.30 173.67 2k0r s GLN 72 N 3.05 1.54 0.22 3.54 -1.52 -0.51 -4.94 119.66 121.04 2k0r s GLN 72 Ca 0.17 -1.18 -0.30 0.00 -1.95 0.00 0.00 55.36 52.09 2k0r s GLN 72 Cb -0.20 0.48 -0.09 0.00 -0.22 0.00 0.00 33.01 32.99 2k0r s GLN 72 CO 0.10 -0.64 0.94 0.99 -0.25 0.00 0.00 175.29 176.43 2k0r s THR 73 N -3.99 4.12 0.29 -0.19 2.01 -1.26 -1.54 115.64 115.08 2k0r s THR 73 Ca 0.20 2.08 0.02 0.00 0.31 0.00 0.00 61.69 64.30 2k0r s THR 73 Cb -0.01 -4.33 -0.02 0.00 0.01 0.00 0.00 72.50 68.15 2k0r s THR 73 CO 0.07 0.48 0.30 0.68 -0.69 0.00 0.00 174.62 175.46 2k0r s VAL 74 N -1.04 0.00 -0.04 3.82 -7.23 0.81 -0.18 120.40 116.54 2k0r s VAL 74 Ca 0.42 -1.87 0.06 0.00 -1.81 0.00 0.00 61.98 58.78 2k0r s VAL 74 Cb -0.26 -2.51 -0.01 0.00 0.56 0.00 0.00 36.38 34.16 2k0r s VAL 74 CO 0.32 0.00 -0.24 -0.31 -0.31 0.00 0.00 175.10 174.56 2k0r s TYR 75 N -3.59 2.25 -1.58 2.82 2.02 0.11 -0.57 117.35 118.81 2k0r s TYR 75 Ca 0.37 -0.59 0.16 0.00 -0.37 0.00 0.00 57.07 56.64 2k0r s TYR 75 Cb 0.03 -1.47 0.02 0.00 -0.40 0.00 0.00 41.96 40.14 2k0r s TYR 75 CO 0.21 -0.15 0.88 -2.39 -1.57 0.00 0.00 175.55 172.53 2k0r n HIS 76 N 2.82 0.00 0.01 2.71 1.44 -1.26 -2.56 115.22 118.38 2k0r n HIS 76 Ca -0.17 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.54 2k0r n HIS 76 Cb 0.52 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.63 2k0r n HIS 76 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2k0r n HIS 77 N 0.10 -0.84 -3.15 -1.40 -0.00 -1.26 -4.24 115.22 104.43 2k0r n HIS 77 Ca 0.07 0.05 -0.39 0.00 -0.00 0.00 0.00 57.72 57.45 2k0r n HIS 77 Cb 0.35 0.26 -0.05 0.00 -0.00 0.00 0.00 29.99 30.55 2k0r n HIS 77 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 2k0r s GLU 78 N -2.00 4.38 -0.36 1.57 -1.05 -1.26 0.00 118.70 119.98 2k0r s GLU 78 Ca 0.00 0.76 0.06 0.00 -0.15 0.00 0.00 54.97 55.64 2k0r s GLU 78 Cb 0.00 -3.40 0.18 0.00 -0.44 0.00 0.00 34.13 30.47 2k0r s GLU 78 CO 0.00 0.20 0.56 0.00 0.95 0.00 0.00 175.26 176.97 2k0r s ALA 79 N 0.36 -1.97 0.12 -0.84 0.00 -1.20 -4.72 121.76 113.50 2k0r s ALA 79 Ca 0.33 0.27 0.09 0.00 0.00 0.00 0.00 51.96 52.64 2k0r s ALA 79 Cb -0.18 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.39 2k0r s ALA 79 CO 0.17 -2.05 -0.21 1.14 0.00 0.00 0.00 175.76 174.80 2k0r s GLN 80 N 2.12 1.20 -0.02 0.00 -2.07 -1.26 -0.23 119.66 119.40 2k0r s GLN 80 Ca 0.14 -1.24 0.01 0.00 -1.82 0.00 0.00 55.36 52.45 2k0r s GLN 80 Cb -0.08 -1.46 0.01 0.00 -1.09 0.00 0.00 33.01 30.39 2k0r s GLN 80 CO -0.14 0.33 -0.03 0.08 -1.32 0.00 0.00 175.29 174.22 2k0r s VAL 81 N -1.31 0.31 -0.19 3.63 1.01 0.10 -0.76 120.40 123.19 2k0r s VAL 81 Ca 0.09 -0.07 -0.09 0.00 0.00 0.00 0.00 61.98 61.91 2k0r s VAL 81 Cb -0.09 -0.33 -0.05 0.00 0.00 0.00 0.00 36.38 35.91 2k0r s VAL 81 CO 0.05 0.14 0.13 0.00 0.00 0.00 0.00 175.10 175.42 2k0r s ALA 82 N 0.53 3.72 -0.72 5.51 0.00 0.87 -1.83 121.76 129.84 2k0r s ALA 82 Ca -0.06 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.23 2k0r s ALA 82 Cb -0.09 -2.13 0.18 0.00 0.00 0.00 0.00 23.12 21.08 2k0r s ALA 82 CO -0.01 0.24 0.54 -0.06 0.00 0.00 0.00 175.76 176.47 2k0r s PHE 83 N 0.11 3.57 0.13 0.00 0.08 0.87 0.04 117.98 122.79 2k0r s PHE 83 Ca 0.09 -3.05 -0.31 0.00 0.12 0.00 0.00 56.93 53.78 2k0r s PHE 83 Cb -0.11 -3.03 -0.08 0.00 -0.57 0.00 0.00 43.02 39.23 2k0r s PHE 83 CO -0.01 -0.71 1.34 -1.25 -0.10 0.00 0.00 175.22 174.49 2k0r s PRO 84 N -0.89 4.35 0.73 0.24 0.04 -1.26 -1.07 135.00 137.15 2k0r s PRO 84 Ca 0.22 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 63.18 2k0r s PRO 84 Cb -0.13 -3.24 0.04 0.00 0.04 0.00 0.00 34.50 31.21 2k0r s PRO 84 CO -0.09 -0.36 1.09 0.71 0.04 0.00 0.00 177.00 178.39 2k0r s TYR 85 N 0.79 2.65 -0.00 0.56 2.02 -1.18 -2.63 117.35 119.57 2k0r s TYR 85 Ca 0.61 1.54 0.03 0.00 -0.37 0.00 0.00 57.07 58.88 2k0r s TYR 85 Cb -0.36 -3.06 -0.04 0.00 -0.40 0.00 0.00 41.96 38.10 2k0r s TYR 85 CO 0.33 -1.70 0.06 0.00 -1.57 0.00 0.00 175.55 172.66 2k0r n ALA 86 N -3.18 2.09 -3.39 3.71 0.00 -1.26 -4.56 120.51 113.92 2k0r n ALA 86 Ca 0.09 -0.06 -0.16 0.00 0.00 0.00 0.00 53.44 53.32 2k0r n ALA 86 Cb 0.53 -0.09 -0.07 0.00 0.00 0.00 0.00 19.45 19.82 2k0r n ALA 86 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2k0r s LYS 87 N -2.17 0.85 -0.36 0.00 2.47 -1.26 -5.00 119.74 114.27 2k0r s LYS 87 Ca -0.01 0.11 -0.40 0.00 -1.56 0.00 0.00 55.97 54.11 2k0r s LYS 87 Cb 0.02 0.39 -0.16 0.00 -1.46 0.00 0.00 37.83 36.62 2k0r s LYS 87 CO 0.10 -0.24 1.90 0.00 0.16 0.00 0.00 175.35 177.27 2k0r n ALA 88 N 1.24 0.07 -3.24 3.13 0.00 -1.26 -4.87 120.51 115.58 2k0r n ALA 88 Ca -0.20 0.26 -0.33 0.00 0.00 0.00 0.00 53.44 53.17 2k0r n ALA 88 Cb 0.56 -2.25 -0.04 0.00 0.00 0.00 0.00 19.45 17.72 2k0r n ALA 88 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2k0r n VAL 89 N 5.48 3.61 0.23 0.00 0.24 -1.26 -4.85 118.33 121.77 2k0r n VAL 89 Ca 0.35 -5.53 0.14 0.00 -2.04 0.00 0.00 64.34 57.27 2k0r n VAL 89 Cb 0.11 -2.07 0.76 0.00 -1.47 0.00 0.00 33.84 31.16 2k0r n VAL 89 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2k0r h GLY 90 N 4.65 0.00 -2.84 7.63 0.00 -2.06 -3.42 103.07 107.03 2k0r h GLY 90 Ca 0.20 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 47.07 2k0r h GLY 90 CO 1.04 0.00 -0.39 -0.54 0.00 0.00 0.00 176.54 176.65 2k0r s GLU 91 N -3.70 3.10 0.41 4.80 2.02 -1.26 -5.09 118.70 118.99 2k0r s GLU 91 Ca -0.03 -1.01 -0.25 0.00 0.02 0.00 0.00 54.97 53.71 2k0r s GLU 91 Cb 0.08 -2.76 -0.08 0.00 0.10 0.00 0.00 34.13 31.47 2k0r s GLU 91 CO 0.28 0.17 1.18 -1.25 0.02 0.00 0.00 175.26 175.66 2k0r s PRO 92 N -4.08 3.97 0.37 0.39 0.04 -1.26 -4.96 135.00 129.47 2k0r s PRO 92 Ca 0.41 1.86 0.07 0.00 0.04 0.00 0.00 61.00 63.38 2k0r s PRO 92 Cb -0.09 -2.62 -0.07 0.00 0.04 0.00 0.00 34.50 31.76 2k0r s PRO 92 CO 0.29 -0.40 -0.02 1.52 0.04 0.00 0.00 177.00 178.44 2k0r s TYR 93 N -1.43 2.35 -0.02 0.56 1.13 -0.74 -4.66 117.35 114.54 2k0r s TYR 93 Ca 0.59 -0.67 0.01 0.00 -1.41 0.00 0.00 57.07 55.59 2k0r s TYR 93 Cb -0.31 -1.53 -0.03 0.00 -1.10 0.00 0.00 41.96 38.99 2k0r s TYR 93 CO 0.39 0.41 -0.02 0.21 -2.51 0.00 0.00 175.55 174.02 2k0r s LYS 94 N -3.71 2.77 -0.04 -3.49 2.20 -0.72 -1.51 119.74 115.24 2k0r s LYS 94 Ca 0.34 -0.59 0.07 0.00 -0.36 0.00 0.00 55.97 55.42 2k0r s LYS 94 Cb 0.07 -2.65 -0.01 0.00 -1.51 0.00 0.00 37.83 33.73 2k0r s LYS 94 CO 0.17 0.64 -0.24 -1.17 -0.36 0.00 0.00 175.35 174.39 2k0r s LEU 95 N -1.32 2.04 -0.13 5.43 2.96 0.01 -0.73 118.68 126.94 2k0r s LEU 95 Ca 0.17 -0.46 -0.00 0.00 -0.22 0.00 0.00 54.13 53.61 2k0r s LEU 95 Cb -0.11 -1.28 0.03 0.00 0.50 0.00 0.00 46.19 45.33 2k0r s LEU 95 CO 0.07 0.26 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.59 2k0r s VAL 96 N -0.33 1.12 -0.04 1.68 1.01 0.10 0.07 120.40 124.01 2k0r s VAL 96 Ca 0.02 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 61.66 2k0r s VAL 96 Cb -0.12 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 2k0r s VAL 96 CO 0.01 0.32 -0.25 -0.76 0.00 0.00 0.00 175.10 174.43 2k0r s LEU 97 N 1.66 2.09 -0.08 3.92 1.43 0.38 -1.45 118.68 126.63 2k0r s LEU 97 Ca 0.04 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 2k0r s LEU 97 Cb -0.13 -1.37 0.02 0.00 0.03 0.00 0.00 46.19 44.74 2k0r s LEU 97 CO -0.08 0.27 -0.06 -0.89 0.23 0.00 0.00 176.35 175.82 2k0r s THR 98 N -0.34 0.80 -0.08 5.49 2.01 -0.45 -0.02 115.64 123.05 2k0r s THR 98 Ca 0.02 -0.20 0.02 0.00 0.31 0.00 0.00 61.69 61.84 2k0r s THR 98 Cb -0.12 -0.83 -0.02 0.00 0.01 0.00 0.00 72.50 71.54 2k0r s THR 98 CO 0.02 0.31 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.81 2k0r s TYR 99 N 1.38 2.73 -0.22 4.92 2.02 -0.27 -0.54 117.35 127.36 2k0r s TYR 99 Ca -0.03 -0.35 -0.10 0.00 -0.37 0.00 0.00 57.07 56.23 2k0r s TYR 99 Cb -0.14 -1.71 0.09 0.00 -0.40 0.00 0.00 41.96 39.80 2k0r s TYR 99 CO -0.03 0.03 0.50 -1.14 -1.57 0.00 0.00 175.55 173.34 2k0r s GLN 100 N -0.32 0.45 0.00 -0.62 0.74 -1.26 -0.50 119.66 118.16 2k0r s GLN 100 Ca 0.03 1.07 0.00 0.00 0.05 0.00 0.00 55.36 56.51 2k0r s GLN 100 Cb -0.13 0.29 0.00 0.00 1.10 0.00 0.00 33.01 34.28 2k0r s GLN 100 CO 0.03 -0.20 0.00 0.41 -0.55 0.00 0.00 175.29 174.98 2k0r n GLY 101 N 4.89 2.91 3.32 2.59 0.00 -1.26 -3.09 105.19 114.55 2k0r n GLY 101 Ca -0.15 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 2k0r n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k0r s SER 102 N 2.00 0.39 -0.06 1.61 0.01 0.14 -3.86 113.70 113.93 2k0r s SER 102 Ca 0.00 -1.36 -0.13 0.00 1.31 0.00 0.00 55.95 55.77 2k0r s SER 102 Cb 0.00 0.47 -0.05 0.00 0.21 0.00 0.00 66.02 66.65 2k0r s SER 102 CO 0.00 -0.98 0.34 0.00 0.41 0.00 0.00 173.24 173.02 2k0r s ALA 103 N -3.92 3.69 0.62 1.44 0.00 0.89 -0.47 121.76 124.01 2k0r s ALA 103 Ca 0.35 -0.34 0.31 0.00 0.00 0.00 0.00 51.96 52.29 2k0r s ALA 103 Cb 0.04 -2.33 1.73 0.00 0.00 0.00 0.00 23.12 22.56 2k0r s ALA 103 CO 0.14 0.39 2.06 1.49 0.00 0.00 0.00 175.76 179.84 2k0r h GLU 104 N 5.30 0.00 0.00 0.00 4.22 -1.26 0.22 114.58 123.06 2k0r h GLU 104 Ca -0.49 0.00 -0.13 0.00 0.08 0.00 0.00 59.36 58.82 2k0r h GLU 104 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 2k0r h GLU 104 CO 0.65 0.00 -0.60 0.00 -2.18 0.00 0.00 179.01 176.88 2k0r h ALA 105 N 1.63 0.92 0.00 2.92 0.00 -1.93 -3.47 119.26 119.32 2k0r h ALA 105 Ca 0.07 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2k0r h ALA 105 Cb 0.58 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2k0r h ALA 105 CO -0.00 0.74 0.00 0.41 0.00 0.00 0.00 179.25 180.40 2k0r n GLY 106 N 0.37 0.90 3.23 0.00 0.00 0.76 -5.15 105.19 105.30 2k0r n GLY 106 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 2k0r n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k0r s VAL 107 N -0.74 1.61 -0.22 1.61 1.01 -1.17 -4.94 120.40 117.57 2k0r s VAL 107 Ca 0.00 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 60.97 2k0r s VAL 107 Cb 0.00 -1.37 0.04 0.00 0.00 0.00 0.00 36.38 35.05 2k0r s VAL 107 CO 0.00 0.31 -0.15 0.00 0.00 0.00 0.00 175.10 175.26 2k0r s TYR 109 N 1.21 2.85 0.80 0.00 1.13 -1.25 -5.06 117.35 117.03 2k0r s TYR 109 Ca -0.02 -0.17 -0.11 0.00 -1.41 0.00 0.00 57.07 55.36 2k0r s TYR 109 Cb -0.16 -1.29 0.07 0.00 -1.10 0.00 0.00 41.96 39.48 2k0r s TYR 109 CO -0.09 0.57 1.09 -1.25 -2.51 0.00 0.00 175.55 173.36 2k0r s PRO 110 N -3.60 2.04 0.59 -3.49 0.04 -1.26 -4.61 135.00 124.70 2k0r s PRO 110 Ca 0.31 1.10 -0.18 0.00 0.04 0.00 0.00 61.00 62.27 2k0r s PRO 110 Cb -0.07 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 2k0r s PRO 110 CO 0.21 -1.78 1.12 -1.25 0.04 0.00 0.00 177.00 175.35 2k0r s PRO 111 N -4.91 3.14 -0.19 0.56 0.04 -1.26 -4.84 135.00 127.54 2k0r s PRO 111 Ca 0.62 1.52 0.00 0.00 0.04 0.00 0.00 61.00 63.19 2k0r s PRO 111 Cb -0.17 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.43 2k0r s PRO 111 CO 0.56 -1.00 -0.08 0.08 0.04 0.00 0.00 177.00 176.60 2k0r s VAL 112 N -1.99 1.46 -0.12 -0.36 1.01 0.35 -4.99 120.40 115.75 2k0r s VAL 112 Ca 0.70 -0.90 -0.07 0.00 0.00 0.00 0.00 61.98 61.72 2k0r s VAL 112 Cb -0.23 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 2k0r s VAL 112 CO 0.33 0.14 0.13 1.51 0.00 0.00 0.00 175.10 177.21 2k0r s ASP 113 N 1.47 6.29 -0.09 3.32 -4.77 -1.26 -1.12 116.67 120.51 2k0r s ASP 113 Ca -0.01 0.43 -0.04 0.00 -3.30 0.00 0.00 52.55 49.62 2k0r s ASP 113 Cb -0.16 -2.03 0.05 0.00 -1.09 0.00 0.00 42.92 39.68 2k0r s ASP 113 CO -0.08 0.39 0.21 -0.89 0.70 0.00 0.00 175.17 175.50 2k0r s THR 114 N -0.89 -0.08 -0.04 2.11 2.01 0.96 -5.00 115.64 114.70 2k0r s THR 114 Ca 0.14 0.18 -0.01 0.00 0.31 0.00 0.00 61.69 62.31 2k0r s THR 114 Cb -0.12 -0.33 -0.04 0.00 0.01 0.00 0.00 72.50 72.02 2k0r s THR 114 CO 0.03 0.07 0.04 -1.61 -0.69 0.00 0.00 174.62 172.47 2k0r s GLU 115 N 1.38 3.02 -0.09 4.92 8.01 -1.26 -0.47 118.70 134.22 2k0r s GLU 115 Ca -0.08 -0.44 0.01 0.00 0.01 0.00 0.00 54.97 54.47 2k0r s GLU 115 Cb -0.11 -2.83 0.02 0.00 -4.31 0.00 0.00 34.13 26.89 2k0r s GLU 115 CO -0.08 0.68 -0.12 -0.06 0.01 0.00 0.00 175.26 175.69 2k0r s PHE 116 N -1.05 1.58 -0.25 1.61 0.08 0.11 -4.98 117.98 115.08 2k0r s PHE 116 Ca 0.18 -0.68 -0.23 0.00 0.12 0.00 0.00 56.93 56.32 2k0r s PHE 116 Cb -0.12 -1.19 -0.01 0.00 -0.57 0.00 0.00 43.02 41.13 2k0r s PHE 116 CO 0.08 -0.38 0.77 -0.51 -0.10 0.00 0.00 175.22 175.07 2k0r s ASP 117 N 1.01 6.74 -0.24 1.36 1.01 -1.26 -0.81 116.67 124.48 2k0r s ASP 117 Ca -0.08 0.91 -0.09 0.00 0.71 0.00 0.00 52.55 54.00 2k0r s ASP 117 Cb -0.15 -2.40 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 2k0r s ASP 117 CO -0.01 -0.48 0.13 -0.63 0.21 0.00 0.00 175.17 174.39 2k0r s ILE 118 N 2.75 4.98 0.00 0.77 -1.09 -0.57 -4.92 121.20 123.13 2k0r s ILE 118 Ca 0.32 0.05 0.10 0.00 -2.23 0.00 0.00 60.65 58.89 2k0r s ILE 118 Cb -0.15 -3.32 0.17 0.00 -1.58 0.00 0.00 42.46 37.58 2k0r s ILE 118 CO 0.08 0.34 1.05 2.22 -1.23 0.00 0.00 174.94 177.40 2k0r n PHE 119 N 4.47 0.00 -0.39 3.97 1.16 -1.26 -1.79 117.46 123.63 2k0r n PHE 119 Ca -0.15 -0.47 0.00 0.00 -1.87 0.00 0.00 57.45 54.96 2k0r n PHE 119 Cb 0.52 0.22 0.00 0.00 -1.61 0.00 0.00 39.48 38.61 2k0r n PHE 119 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2k0r n GLY 120 N 0.20 -0.61 0.00 4.97 0.00 -1.26 -4.99 105.19 103.50 2k0r n GLY 120 Ca -0.13 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.05 2k0r n GLY 120 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k0r n ASN 121 N 0.00 0.00 0.00 1.61 5.15 -1.26 -5.07 115.26 115.69 2k0r n ASN 121 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2k0r n ASN 121 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2k0r n ASN 121 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k0r n GLY 122 N 0.00 1.98 3.79 8.20 0.00 -1.26 -4.96 105.19 112.94 2k0r n GLY 122 Ca 0.00 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 2k0r n GLY 122 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k0r s THR 123 N 0.00 5.15 0.02 2.61 2.01 -1.26 -0.56 115.64 123.61 2k0r s THR 123 Ca 0.00 0.78 0.01 0.00 0.31 0.00 0.00 61.69 62.79 2k0r s THR 123 Cb 0.00 -3.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 2k0r s THR 123 CO 0.00 0.48 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.05 2k0r s TYR 124 N -0.32 0.40 0.03 4.92 1.51 -1.21 -4.98 117.35 117.70 2k0r s TYR 124 Ca 0.22 -0.31 -0.09 0.00 -1.01 0.00 0.00 57.07 55.88 2k0r s TYR 124 Cb -0.15 -0.25 0.00 0.00 -0.11 0.00 0.00 41.96 41.45 2k0r s TYR 124 CO 0.10 -0.08 0.18 -1.01 -1.11 0.00 0.00 175.55 173.64 2k0r s HIS 125 N -0.84 0.05 0.54 2.71 3.76 -1.26 -2.64 115.29 117.62 2k0r s HIS 125 Ca -0.07 -0.22 -0.19 0.00 -0.15 0.00 0.00 55.06 54.43 2k0r s HIS 125 Cb -0.06 -0.04 -0.06 0.00 1.11 0.00 0.00 32.58 33.53 2k0r s HIS 125 CO -0.00 -0.39 1.13 -1.25 -0.85 0.00 0.00 174.74 173.38 2k0r s PRO 126 N -2.19 3.36 -0.70 8.40 0.04 -1.26 -4.98 135.00 137.67 2k0r s PRO 126 Ca -0.08 1.61 0.02 0.00 0.04 0.00 0.00 61.00 62.59 2k0r s PRO 126 Cb -0.03 -2.01 0.37 0.00 0.04 0.00 0.00 34.50 32.87 2k0r s PRO 126 CO -0.02 -0.84 1.51 1.04 0.04 0.00 0.00 177.00 178.73 2k0r n GLN 127 N -1.29 3.50 -0.32 4.56 6.02 -1.26 -5.21 117.38 123.37 2k0r n GLN 127 Ca 0.12 -4.26 0.00 0.00 -0.01 0.00 0.00 57.00 52.85 2k0r n GLN 127 Cb 0.51 -2.29 0.00 0.00 1.02 0.00 0.00 30.24 29.48 2k0r n GLN 127 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46