#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0r n ALA 2 N 0.00 -3.74 -3.92 -5.12 0.00 -1.26 -5.01 120.51 101.45 2k0r n ALA 2 Ca 0.00 0.46 -0.02 0.00 0.00 0.00 0.00 53.44 53.88 2k0r n ALA 2 Cb 0.00 -1.30 0.02 0.00 0.00 0.00 0.00 19.45 18.17 2k0r n ALA 2 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2k0r s LEU 3 N -7.17 0.02 -1.72 0.00 2.34 -1.26 -4.97 118.68 105.92 2k0r s LEU 3 Ca 0.00 -0.59 0.00 0.00 0.06 0.00 0.00 54.13 53.60 2k0r s LEU 3 Cb 0.00 1.90 0.00 0.00 -0.56 0.00 0.00 46.19 47.53 2k0r s LEU 3 CO 0.00 -0.84 0.00 -0.67 -1.06 0.00 0.00 176.35 173.78 2k0r n ASP 4 N -1.25 -5.09 -1.98 1.48 -0.08 -1.26 -4.88 116.55 103.50 2k0r n ASP 4 Ca -0.01 0.27 0.01 0.00 -1.51 0.00 0.00 54.79 53.56 2k0r n ASP 4 Cb 0.59 -4.13 0.00 0.00 2.34 0.00 0.00 41.12 39.92 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 0.23 -1.26 -1.27 -1.67 0.00 -1.26 -4.58 120.51 110.70 2k0r n ALA 5 Ca -0.18 -0.26 0.17 0.00 0.00 0.00 0.00 53.44 53.17 2k0r n ALA 5 Cb 0.60 0.03 -0.04 0.00 0.00 0.00 0.00 19.45 20.04 2k0r n ALA 5 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2k0r n ASN 6 N -0.42 -7.52 -1.42 0.00 5.15 -1.26 -4.02 115.26 105.77 2k0r n ASN 6 Ca 0.02 1.36 0.04 0.00 -0.60 0.00 0.00 54.58 55.40 2k0r n ASN 6 Cb 0.19 -3.89 0.26 0.00 -0.53 0.00 0.00 39.78 35.82 2k0r n ASN 6 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2k0r n ASP 7 N -4.33 4.09 0.17 1.20 5.75 -1.26 -4.03 116.55 118.15 2k0r n ASP 7 Ca 0.01 -2.62 0.13 0.00 -0.01 0.00 0.00 54.79 52.30 2k0r n ASP 7 Cb 0.58 -0.63 0.38 0.00 -1.03 0.00 0.00 41.12 40.42 2k0r n ASP 7 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 2k0r h LEU 8 N 2.58 0.00 -9.78 -2.12 6.46 -1.96 -3.45 115.31 107.04 2k0r h LEU 8 Ca 0.01 0.00 -0.53 0.00 -0.12 0.00 0.00 57.88 57.24 2k0r h LEU 8 Cb 1.49 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 41.35 2k0r h LEU 8 CO 0.33 0.00 -0.57 -1.48 -0.62 0.00 0.00 178.44 176.10 2k0r s LEU 9 N -5.33 3.61 0.91 2.25 0.05 -1.26 -5.12 118.68 113.79 2k0r s LEU 9 Ca 0.07 -0.37 -0.12 0.00 0.05 0.00 0.00 54.13 53.77 2k0r s LEU 9 Cb 0.09 -2.15 0.14 0.00 -2.05 0.00 0.00 46.19 42.22 2k0r s LEU 9 CO 0.58 -0.01 1.09 -2.16 -0.55 0.00 0.00 176.35 175.30 2k0r s PRO 10 N -3.71 1.15 0.52 1.48 0.04 -1.26 -4.81 135.00 128.41 2k0r s PRO 10 Ca 0.32 0.78 0.33 0.00 0.04 0.00 0.00 61.00 62.47 2k0r s PRO 10 Cb -0.08 -1.80 1.37 0.00 0.04 0.00 0.00 34.50 34.04 2k0r s PRO 10 CO 0.23 -2.31 1.97 -1.00 0.04 0.00 0.00 177.00 175.93 2k0r h PRO 11 N -1.59 0.00 -0.08 0.56 0.13 -1.98 0.55 132.00 129.59 2k0r h PRO 11 Ca -0.50 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.45 2k0r h PRO 11 Cb 1.29 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.43 2k0r h PRO 11 CO 0.55 0.00 -0.64 1.05 -0.23 0.00 0.00 178.00 178.73 2k0r h GLU 12 N 0.00 0.58 0.00 0.86 -0.00 -1.92 -3.27 114.58 110.84 2k0r h GLU 12 Ca 0.00 -0.51 0.00 0.00 -0.00 0.00 0.00 59.36 58.85 2k0r h GLU 12 Cb 0.47 0.12 0.00 0.00 -0.00 0.00 0.00 28.75 29.34 2k0r h GLU 12 CO 0.00 1.14 -0.86 1.17 -0.00 0.00 0.00 179.01 180.46 2k0r n LYS 13 N -4.13 0.27 0.25 1.06 0.00 -1.15 -3.92 118.16 110.55 2k0r n LYS 13 Ca -0.09 0.03 0.13 0.00 0.00 0.00 0.00 58.31 58.39 2k0r n LYS 13 Cb 0.68 -1.62 0.63 0.00 0.00 0.00 0.00 35.03 34.71 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 2.55 1.07 -3.63 3.14 0.00 -0.93 -3.42 119.26 118.03 2k0r h ALA 14 Ca 0.00 -0.11 -0.67 0.00 0.00 0.00 0.00 54.91 54.13 2k0r h ALA 14 Cb 0.72 -0.02 -0.32 0.00 0.00 0.00 0.00 17.79 18.17 2k0r h ALA 14 CO 0.00 0.15 -0.88 -0.06 0.00 0.00 0.00 179.25 178.47 2k0r s PHE 15 N -3.80 2.42 -0.68 0.00 0.08 -1.23 -0.07 117.98 114.70 2k0r s PHE 15 Ca -0.00 -0.87 0.04 0.00 0.12 0.00 0.00 56.93 56.22 2k0r s PHE 15 Cb 0.11 -1.61 0.16 0.00 -0.57 0.00 0.00 43.02 41.11 2k0r s PHE 15 CO 0.58 -0.32 0.46 0.08 -0.10 0.00 0.00 175.22 175.93 2k0r s VAL 16 N 0.14 2.91 0.23 -0.44 1.01 0.85 -4.91 120.40 120.20 2k0r s VAL 16 Ca -0.12 -4.09 -0.30 0.00 0.00 0.00 0.00 61.98 57.48 2k0r s VAL 16 Cb -0.16 -2.93 -0.09 0.00 0.00 0.00 0.00 36.38 33.20 2k0r s VAL 16 CO 0.06 -0.97 1.28 -2.16 0.00 0.00 0.00 175.10 173.31 2k0r s PRO 17 N -1.24 4.42 -0.04 2.72 0.04 -1.26 -1.47 135.00 138.16 2k0r s PRO 17 Ca 0.23 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.32 2k0r s PRO 17 Cb -0.09 -3.17 0.03 0.00 0.04 0.00 0.00 34.50 31.30 2k0r s PRO 17 CO -0.13 -0.18 -0.01 -2.00 0.04 0.00 0.00 177.00 174.71 2k0r s GLU 18 N -0.56 0.52 0.03 4.56 2.12 0.11 -4.88 118.70 120.60 2k0r s GLU 18 Ca 0.54 0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.90 2k0r s GLU 18 Cb -0.36 -0.68 -0.04 0.00 0.26 0.00 0.00 34.13 33.31 2k0r s GLU 18 CO 0.41 -0.15 0.12 -1.17 -0.54 0.00 0.00 175.26 173.93 2k0r s LEU 19 N 1.16 4.03 -0.27 2.70 1.98 -1.06 -0.65 118.68 126.58 2k0r s LEU 19 Ca -0.08 0.16 -0.01 0.00 -2.89 0.00 0.00 54.13 51.32 2k0r s LEU 19 Cb -0.14 -2.50 0.14 0.00 0.66 0.00 0.00 46.19 44.36 2k0r s LEU 19 CO -0.02 0.23 0.38 0.00 -1.89 0.00 0.00 176.35 175.05 2k0r s ALA 20 N -1.32 -1.04 0.22 5.97 0.00 0.10 -3.24 121.76 122.46 2k0r s ALA 20 Ca 0.27 0.47 -0.30 0.00 0.00 0.00 0.00 51.96 52.40 2k0r s ALA 20 Cb -0.12 -1.84 -0.09 0.00 0.00 0.00 0.00 23.12 21.07 2k0r s ALA 20 CO 0.19 -1.51 1.11 0.08 0.00 0.00 0.00 175.76 175.63 2k0r s VAL 21 N 2.52 3.65 0.38 0.00 1.01 -0.29 -0.20 120.40 127.47 2k0r s VAL 21 Ca 0.11 1.52 0.00 0.00 0.00 0.00 0.00 61.98 63.61 2k0r s VAL 21 Cb -0.14 -3.97 -0.00 0.00 0.00 0.00 0.00 36.38 32.27 2k0r s VAL 21 CO -0.24 0.30 0.00 0.00 0.00 0.00 0.00 175.10 175.17 2k0r n ALA 22 N 1.87 0.32 0.09 5.51 0.00 0.10 -4.80 120.51 123.61 2k0r n ALA 22 Ca 0.01 -1.71 0.09 0.00 0.00 0.00 0.00 53.44 51.83 2k0r n ALA 22 Cb 0.45 0.94 -0.02 0.00 0.00 0.00 0.00 19.45 20.82 2k0r n ALA 22 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2k0r h ASP 23 N 0.92 0.00 -0.16 0.00 3.58 -2.02 -3.34 116.42 115.39 2k0r h ASP 23 Ca -0.32 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.13 2k0r h ASP 23 Cb 0.96 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.01 2k0r h ASP 23 CO 0.52 0.15 0.00 -0.90 -2.88 0.00 0.00 179.24 176.13 2k0r n ASP 24 N -2.75 2.93 0.00 2.28 5.68 -1.26 -5.04 116.55 118.40 2k0r n ASP 24 Ca -0.02 -2.63 0.00 0.00 -0.50 0.00 0.00 54.79 51.64 2k0r n ASP 24 Cb 0.62 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 40.26 2k0r n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0r n GLY 25 N -0.52 0.11 2.95 6.12 0.00 -1.25 -2.71 105.19 109.88 2k0r n GLY 25 Ca 0.14 -1.25 -0.15 0.00 0.00 0.00 0.00 46.02 44.77 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 -3.71 0.32 -0.10 1.61 1.01 -0.26 0.00 120.40 119.27 2k0r s VAL 26 Ca 0.00 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 61.77 2k0r s VAL 26 Cb 0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 36.38 36.09 2k0r s VAL 26 CO 0.00 0.04 -0.21 0.20 0.00 0.00 0.00 175.10 175.13 2k0r s ASN 27 N -0.22 3.31 -0.07 3.32 0.01 0.72 0.20 114.94 122.20 2k0r s ASN 27 Ca 0.00 -0.50 0.02 0.00 -0.71 0.00 0.00 52.86 51.67 2k0r s ASN 27 Cb -0.02 -1.40 0.02 0.00 0.41 0.00 0.00 41.25 40.25 2k0r s ASN 27 CO -0.00 0.17 -0.10 0.54 -1.51 0.00 0.00 177.10 176.20 2k0r s VAL 28 N 0.28 1.04 -0.08 1.60 0.11 -0.74 0.01 120.40 122.62 2k0r s VAL 28 Ca -0.15 -0.40 0.01 0.00 -2.93 0.00 0.00 61.98 58.51 2k0r s VAL 28 Cb -0.17 -0.99 0.02 0.00 -1.53 0.00 0.00 36.38 33.71 2k0r s VAL 28 CO 0.08 0.34 -0.11 -0.60 -3.33 0.00 0.00 175.10 171.48 2k0r s ARG 29 N 0.92 1.66 -0.17 1.54 3.00 0.17 -0.18 118.95 125.89 2k0r s ARG 29 Ca -0.10 -0.37 0.01 0.00 -1.00 0.00 0.00 55.73 54.27 2k0r s ARG 29 Cb -0.15 -1.49 0.01 0.00 0.00 0.00 0.00 34.95 33.33 2k0r s ARG 29 CO 0.01 -0.08 -0.18 -0.59 0.00 0.00 0.00 175.30 174.46 2k0r s PHE 30 N 1.03 2.78 -0.35 5.12 -0.71 -0.24 0.08 117.98 125.68 2k0r s PHE 30 Ca -0.08 -1.44 -0.24 0.00 -1.04 0.00 0.00 56.93 54.14 2k0r s PHE 30 Cb -0.15 -1.92 0.01 0.00 -1.21 0.00 0.00 43.02 39.76 2k0r s PHE 30 CO -0.01 -0.70 0.83 1.03 -1.34 0.00 0.00 175.22 175.04 2k0r s ARG 31 N 1.16 3.84 0.03 1.99 0.52 -0.54 -2.99 118.95 122.95 2k0r s ARG 31 Ca 0.01 0.48 -0.06 0.00 -0.52 0.00 0.00 55.73 55.64 2k0r s ARG 31 Cb -0.14 -3.78 -0.05 0.00 0.52 0.00 0.00 34.95 31.50 2k0r s ARG 31 CO -0.08 -0.83 0.28 0.42 0.02 0.00 0.00 175.30 175.11 2k0r s ILE 32 N 3.18 5.28 0.56 1.52 1.01 0.10 -0.11 121.20 132.75 2k0r s ILE 32 Ca 0.34 0.14 -0.20 0.00 0.00 0.00 0.00 60.65 60.93 2k0r s ILE 32 Cb -0.13 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 2k0r s ILE 32 CO 0.16 0.32 1.25 0.00 0.00 0.00 0.00 174.94 176.67 2k0r s ALA 33 N -1.35 2.68 0.45 9.38 0.00 0.89 -4.14 121.76 129.68 2k0r s ALA 33 Ca 0.29 1.11 0.39 0.00 0.00 0.00 0.00 51.96 53.76 2k0r s ALA 33 Cb -0.13 -3.48 2.12 0.00 0.00 0.00 0.00 23.12 21.63 2k0r s ALA 33 CO 0.18 -1.18 2.20 0.22 0.00 0.00 0.00 175.76 177.18 2k0r h ASP 34 N 1.23 0.00 -0.17 0.00 1.82 -1.81 0.11 116.42 117.59 2k0r h ASP 34 Ca -0.50 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.14 2k0r h ASP 34 Cb 1.29 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.30 2k0r h ASP 34 CO 0.56 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.80 2k0r n GLY 35 N -1.11 0.58 3.28 -0.78 0.00 -1.26 -4.64 105.19 101.27 2k0r n GLY 35 Ca -0.03 -0.51 -0.15 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.79 1.40 -0.21 1.61 2.02 0.38 -0.86 117.35 119.90 2k0r s TYR 36 Ca 0.34 -0.80 -0.16 0.00 -0.37 0.00 0.00 57.07 56.08 2k0r s TYR 36 Cb 0.19 -0.74 0.06 0.00 -0.40 0.00 0.00 41.96 41.07 2k0r s TYR 36 CO 0.29 0.06 0.54 1.52 -1.57 0.00 0.00 175.55 176.38 2k0r s TYR 37 N -3.34 -0.69 -0.05 2.71 -0.85 0.33 -4.60 117.35 110.85 2k0r s TYR 37 Ca 0.21 1.55 0.03 0.00 -0.52 0.00 0.00 57.07 58.34 2k0r s TYR 37 Cb 0.03 0.31 -0.03 0.00 0.38 0.00 0.00 41.96 42.66 2k0r s TYR 37 CO 0.04 -0.35 -0.14 -1.64 -1.52 0.00 0.00 175.55 171.94 2k0r s MET 38 N 0.87 2.52 0.08 -3.49 -1.94 -1.07 -0.74 119.30 115.53 2k0r s MET 38 Ca -0.05 -0.68 -0.30 0.00 -1.71 0.00 0.00 55.69 52.95 2k0r s MET 38 Cb -0.05 -2.39 -0.05 0.00 2.01 0.00 0.00 34.83 34.34 2k0r s MET 38 CO -0.07 0.63 0.97 0.71 -0.01 0.00 0.00 175.02 177.25 2k0r s TYR 39 N -0.73 3.76 0.38 -0.03 2.02 -1.20 -1.33 117.35 120.22 2k0r s TYR 39 Ca 0.11 1.77 0.14 0.00 -0.37 0.00 0.00 57.07 58.72 2k0r s TYR 39 Cb -0.11 -3.08 0.97 0.00 -0.40 0.00 0.00 41.96 39.34 2k0r s TYR 39 CO 0.01 0.12 1.82 0.37 -1.57 0.00 0.00 175.55 176.30 2k0r h GLN 40 N 5.90 0.52 -0.00 -0.62 4.15 -0.94 0.36 115.11 124.47 2k0r h GLN 40 Ca -0.42 -0.03 -0.14 0.00 0.77 0.00 0.00 58.65 58.82 2k0r h GLN 40 Cb 1.21 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.77 2k0r h GLN 40 CO 0.73 0.34 -0.68 0.00 -1.93 0.00 0.00 178.83 177.29 2k0r h ALA 41 N 1.62 0.87 -0.01 3.38 0.00 -1.92 -3.18 119.26 120.02 2k0r h ALA 41 Ca 0.52 -0.62 -0.23 0.00 0.00 0.00 0.00 54.91 54.58 2k0r h ALA 41 Cb 1.11 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.80 2k0r h ALA 41 CO -0.25 0.85 -0.95 0.87 0.00 0.00 0.00 179.25 179.76 2k0r h LYS 42 N 0.01 0.51 -6.58 0.00 6.56 -0.70 -3.44 116.57 112.92 2k0r h LYS 42 Ca -0.01 -0.53 -0.53 0.00 -1.06 0.00 0.00 60.65 58.52 2k0r h LYS 42 Cb 1.20 0.15 0.03 0.00 -0.57 0.00 0.00 32.23 33.04 2k0r h LYS 42 CO 0.09 1.17 0.70 0.42 -2.06 0.00 0.00 179.45 179.77 2k0r s ILE 43 N -3.32 3.28 0.07 1.86 1.01 0.19 -4.39 121.20 119.90 2k0r s ILE 43 Ca -0.07 0.96 0.05 0.00 0.00 0.00 0.00 60.65 61.58 2k0r s ILE 43 Cb 0.08 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.91 2k0r s ILE 43 CO 0.88 0.09 -0.13 0.54 0.00 0.00 0.00 174.94 176.33 2k0r s VAL 44 N 0.82 1.01 -0.30 2.92 0.11 0.21 -4.94 120.40 120.23 2k0r s VAL 44 Ca 0.62 -1.34 -0.13 0.00 -2.93 0.00 0.00 61.98 58.21 2k0r s VAL 44 Cb -0.37 -1.06 0.16 0.00 -1.53 0.00 0.00 36.38 33.58 2k0r s VAL 44 CO 0.32 -0.31 0.88 -0.83 -3.33 0.00 0.00 175.10 171.84 2k0r s GLY 45 N -1.85 -0.40 -0.00 6.54 0.00 -1.25 -0.68 107.32 109.68 2k0r s GLY 45 Ca -0.02 2.76 0.00 0.00 0.00 0.00 0.00 44.72 47.47 2k0r s GLY 45 CO 0.02 3.25 -0.01 1.25 0.00 0.00 0.00 173.10 177.61 2k0r s LYS 46 N 2.63 0.07 -0.04 2.90 2.36 -0.41 -4.84 119.74 122.41 2k0r s LYS 46 Ca -0.02 -0.01 -0.01 0.00 -2.55 0.00 0.00 55.97 53.38 2k0r s LYS 46 Cb -0.09 -0.10 0.03 0.00 -1.05 0.00 0.00 37.83 36.62 2k0r s LYS 46 CO -0.18 -0.00 0.04 -0.08 1.55 0.00 0.00 175.35 176.67 2k0r s THR 47 N 0.12 0.04 0.00 3.43 -1.32 -1.26 0.01 115.64 116.66 2k0r s THR 47 Ca -0.01 0.29 0.00 0.00 -1.21 0.00 0.00 61.69 60.76 2k0r s THR 47 Cb -0.02 -0.24 0.00 0.00 -1.51 0.00 0.00 72.50 70.73 2k0r s THR 47 CO -0.00 0.18 0.00 -3.20 -2.21 0.00 0.00 174.62 169.39 2k0r n ASN 48 N 4.98 0.00 -0.03 8.08 4.05 -0.52 -4.55 115.26 127.26 2k0r n ASN 48 Ca -0.10 0.00 -0.13 0.00 0.45 0.00 0.00 54.58 54.80 2k0r n ASN 48 Cb 0.50 0.00 -0.09 0.00 1.23 0.00 0.00 39.78 41.42 2k0r n ASN 48 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 2k0r h PRO 49 N 0.00 0.14 0.00 1.20 0.13 -1.85 -1.72 132.00 129.89 2k0r h PRO 49 Ca 0.00 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 65.02 2k0r h PRO 49 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 2k0r h PRO 49 CO 0.00 0.58 -0.53 0.00 -0.23 0.00 0.00 178.00 177.82 2k0r n ALA 50 N -2.37 2.90 -3.11 -0.56 0.00 -1.26 -4.75 120.51 111.36 2k0r n ALA 50 Ca -0.08 -2.70 -0.13 0.00 0.00 0.00 0.00 53.44 50.53 2k0r n ALA 50 Cb 0.29 -0.47 0.07 0.00 0.00 0.00 0.00 19.45 19.34 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 -0.67 -2.98 -0.00 0.00 -0.08 -1.26 -4.94 116.55 106.63 2k0r n ASP 51 Ca 0.13 -0.52 0.10 0.00 -1.51 0.00 0.00 54.79 52.99 2k0r n ASP 51 Cb 0.79 -4.29 -0.12 0.00 2.34 0.00 0.00 41.12 39.84 2k0r n ASP 51 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2k0r n LEU 52 N -3.39 0.81 -4.56 -2.67 4.77 -1.26 -4.99 117.00 105.71 2k0r n LEU 52 Ca -0.19 -0.42 -0.42 0.00 -0.03 0.00 0.00 56.01 54.95 2k0r n LEU 52 Cb 0.63 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.73 2k0r n LEU 52 CO 0.49 0.20 0.42 -0.11 -1.33 0.00 0.00 177.39 177.06 2k0r n LEU 53 N -1.61 1.73 0.00 2.23 7.94 -1.26 -4.24 117.00 121.79 2k0r n LEU 53 Ca 0.03 1.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.93 2k0r n LEU 53 Cb 0.36 -1.27 0.00 0.00 0.53 0.00 0.00 43.42 43.04 2k0r n LEU 53 CO 0.42 -1.94 0.00 0.61 -1.11 0.00 0.00 177.39 175.37 2k0r n GLY 54 N 1.39 -2.02 3.04 -3.96 0.00 -1.09 -4.85 105.19 97.69 2k0r n GLY 54 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 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 0.47 0.50 1.61 0.00 -1.26 -5.06 119.66 115.91 2k0r s GLN 55 Ca 0.00 -0.90 -0.21 0.00 -0.00 0.00 0.00 55.36 54.24 2k0r s GLN 55 Cb 0.00 0.11 -0.07 0.00 0.00 0.00 0.00 33.01 33.06 2k0r s GLN 55 CO 0.00 -0.07 1.15 -1.25 0.00 0.00 0.00 175.29 175.12 2k0r s PRO 56 N -2.59 3.58 -0.48 9.60 0.04 -1.26 -4.26 135.00 139.64 2k0r s PRO 56 Ca -0.05 1.70 0.03 0.00 0.04 0.00 0.00 61.00 62.72 2k0r s PRO 56 Cb -0.02 -2.23 0.14 0.00 0.04 0.00 0.00 34.50 32.43 2k0r s PRO 56 CO -0.05 -0.68 0.26 0.45 0.04 0.00 0.00 177.00 177.03 2k0r s SER 57 N -1.55 3.82 0.75 6.66 0.15 0.10 -4.92 113.70 118.71 2k0r s SER 57 Ca 0.68 -2.82 -0.15 0.00 0.70 0.00 0.00 55.95 54.36 2k0r s SER 57 Cb -0.26 -1.21 0.05 0.00 -1.71 0.00 0.00 66.02 62.89 2k0r s SER 57 CO 0.31 -0.24 1.22 -0.36 1.20 0.00 0.00 173.24 175.37 2k0r s PHE 58 N 0.06 1.98 -2.00 3.44 0.08 -1.26 -0.03 117.98 120.24 2k0r s PHE 58 Ca 0.18 1.61 0.31 0.00 0.12 0.00 0.00 56.93 59.15 2k0r s PHE 58 Cb -0.22 -3.50 1.83 0.00 -0.57 0.00 0.00 43.02 40.55 2k0r s PHE 58 CO -0.02 -2.72 2.17 0.43 -0.10 0.00 0.00 175.22 174.99 2k0r n SER 59 N -2.82 0.00 -1.71 1.36 7.64 0.85 -4.85 113.62 114.09 2k0r n SER 59 Ca 0.14 -1.04 0.00 0.00 1.01 0.00 0.00 58.87 58.98 2k0r n SER 59 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 2k0r n SER 59 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2k0r n LYS 60 N -0.98 -3.98 0.00 1.43 3.00 -1.26 -5.00 118.16 111.37 2k0r n LYS 60 Ca 0.23 2.97 0.00 0.00 -0.00 0.00 0.00 58.31 61.51 2k0r n LYS 60 Cb 0.11 -3.19 0.00 0.00 0.00 0.00 0.00 35.03 31.94 2k0r n LYS 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k0r n GLY 61 N 1.36 1.24 3.22 3.14 0.00 -1.26 -5.07 105.19 107.82 2k0r n GLY 61 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2k0r n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0r s GLU 62 N 3.93 1.62 0.07 1.61 8.01 -0.54 -4.90 118.70 128.50 2k0r s GLU 62 Ca 0.00 -0.76 -0.28 0.00 0.01 0.00 0.00 54.97 53.94 2k0r s GLU 62 Cb 0.00 -1.59 -0.05 0.00 -4.31 0.00 0.00 34.13 28.18 2k0r s GLU 62 CO 0.00 0.43 0.88 -1.21 0.01 0.00 0.00 175.26 175.38 2k0r s GLU 63 N -0.57 4.60 -0.00 1.61 2.02 -1.26 -0.51 118.70 124.59 2k0r s GLU 63 Ca 0.08 1.29 -0.05 0.00 0.02 0.00 0.00 54.97 56.31 2k0r s GLU 63 Cb -0.08 -3.38 -0.00 0.00 0.10 0.00 0.00 34.13 30.76 2k0r s GLU 63 CO -0.00 0.20 0.10 0.21 0.02 0.00 0.00 175.26 175.78 2k0r s LYS 64 N 0.13 0.38 -0.12 1.61 2.36 -0.23 -4.96 119.74 118.92 2k0r s LYS 64 Ca 0.44 -0.34 0.00 0.00 -2.55 0.00 0.00 55.97 53.53 2k0r s LYS 64 Cb -0.22 0.16 -0.02 0.00 -1.05 0.00 0.00 37.83 36.70 2k0r s LYS 64 CO 0.27 -0.08 -0.13 -1.21 1.55 0.00 0.00 175.35 175.74 2k0r s GLU 65 N -1.14 3.24 0.00 4.03 8.01 -1.25 -1.21 118.70 130.38 2k0r s GLU 65 Ca -0.12 -0.69 0.00 0.00 0.01 0.00 0.00 54.97 54.17 2k0r s GLU 65 Cb -0.07 -2.59 0.00 0.00 -4.31 0.00 0.00 34.13 27.16 2k0r s GLU 65 CO 0.01 0.29 0.00 -3.47 0.01 0.00 0.00 175.26 172.09 2k0r n ASP 66 N 3.31 0.00 -0.12 -0.19 2.03 -0.38 -4.92 116.55 116.28 2k0r n ASP 66 Ca -0.18 -0.79 0.06 0.00 0.52 0.00 0.00 54.79 54.40 2k0r n ASP 66 Cb 0.53 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.89 2k0r n ASP 66 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2k0r n GLU 67 N 0.00 2.62 0.00 -0.67 0.28 -1.26 -2.41 120.64 119.20 2k0r n GLU 67 Ca 0.00 -0.29 0.15 0.00 -0.16 0.00 0.00 57.16 56.86 2k0r n GLU 67 Cb 0.00 -1.10 0.69 0.00 1.43 0.00 0.00 31.44 32.46 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 -0.82 0.00 0.00 -1.84 3.01 -1.26 -4.62 117.46 111.93 2k0r n PHE 68 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 2k0r n PHE 68 Cb 0.22 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.66 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 -0.41 0.00 0.00 1.38 -1.74 -1.26 -5.15 117.46 110.28 2k0r n PHE 69 Ca 0.20 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.09 2k0r n PHE 69 Cb 0.25 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.25 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 -0.42 0.23 3.39 4.97 0.00 -1.01 -4.90 105.19 107.46 2k0r n GLY 70 Ca 0.00 -1.92 -0.44 0.00 0.00 0.00 0.00 46.02 43.66 2k0r n GLY 70 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k0r s ARG 71 N 0.00 3.06 0.23 1.61 1.70 -1.26 -1.25 118.95 123.05 2k0r s ARG 71 Ca 0.00 -1.20 -0.12 0.00 -0.47 0.00 0.00 55.73 53.93 2k0r s ARG 71 Cb 0.00 -4.21 -0.00 0.00 -0.57 0.00 0.00 34.95 30.17 2k0r s ARG 71 CO 0.00 -1.41 0.45 -0.65 -1.08 0.00 0.00 175.30 172.60 2k0r s GLN 72 N 2.59 1.47 0.18 3.89 -1.52 -0.35 -4.94 119.66 120.99 2k0r s GLN 72 Ca 0.12 -1.22 -0.28 0.00 -1.95 0.00 0.00 55.36 52.03 2k0r s GLN 72 Cb -0.23 0.46 -0.08 0.00 -0.22 0.00 0.00 33.01 32.94 2k0r s GLN 72 CO 0.08 -0.60 0.88 0.99 -0.25 0.00 0.00 175.29 176.39 2k0r s THR 73 N -4.00 4.27 0.24 -0.19 2.01 -1.26 -1.07 115.64 115.64 2k0r s THR 73 Ca 0.21 1.95 -0.00 0.00 0.31 0.00 0.00 61.69 64.15 2k0r s THR 73 Cb 0.00 -4.26 -0.03 0.00 0.01 0.00 0.00 72.50 68.22 2k0r s THR 73 CO 0.07 0.47 0.21 0.68 -0.69 0.00 0.00 174.62 175.36 2k0r s VAL 74 N -0.90 0.00 -0.05 3.82 -7.23 0.34 -0.22 120.40 116.15 2k0r s VAL 74 Ca 0.40 -1.93 0.06 0.00 -1.81 0.00 0.00 61.98 58.71 2k0r s VAL 74 Cb -0.24 -2.48 -0.01 0.00 0.56 0.00 0.00 36.38 34.20 2k0r s VAL 74 CO 0.29 0.00 -0.25 -0.31 -0.31 0.00 0.00 175.10 174.53 2k0r s TYR 75 N -3.92 2.37 -1.76 2.82 2.02 -0.44 -1.46 117.35 116.97 2k0r s TYR 75 Ca 0.38 -0.67 0.24 0.00 -0.37 0.00 0.00 57.07 56.64 2k0r s TYR 75 Cb 0.05 -1.55 0.25 0.00 -0.40 0.00 0.00 41.96 40.31 2k0r s TYR 75 CO 0.16 -0.19 1.25 -2.39 -1.57 0.00 0.00 175.55 172.81 2k0r n HIS 76 N 2.89 0.00 0.03 2.71 1.44 -1.26 -2.61 115.22 118.42 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 -0.06 0.00 0.00 0.12 0.00 0.00 29.99 30.57 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 -0.49 -2.57 -2.61 -1.40 -0.00 -1.26 -4.17 115.22 102.72 2k0r n HIS 77 Ca 0.09 0.22 -0.43 0.00 -0.00 0.00 0.00 57.72 57.60 2k0r n HIS 77 Cb 0.41 0.93 -0.02 0.00 -0.00 0.00 0.00 29.99 31.30 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 -1.89 4.26 -0.34 1.57 -1.05 -1.26 0.00 118.70 119.98 2k0r s GLU 78 Ca 0.00 1.42 0.01 0.00 -0.15 0.00 0.00 54.97 56.25 2k0r s GLU 78 Cb 0.00 -3.66 0.15 0.00 -0.44 0.00 0.00 34.13 30.17 2k0r s GLU 78 CO 0.00 -0.64 0.32 0.00 0.95 0.00 0.00 175.26 175.89 2k0r s ALA 79 N 3.25 -0.24 0.10 -0.84 0.00 -1.16 -4.79 121.76 118.08 2k0r s ALA 79 Ca 0.46 -0.89 0.10 0.00 0.00 0.00 0.00 51.96 51.63 2k0r s ALA 79 Cb -0.16 -1.90 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 2k0r s ALA 79 CO 0.08 -1.99 -0.24 -1.14 0.00 0.00 0.00 175.76 172.47 2k0r s GLN 80 N 1.70 1.67 -0.00 0.00 0.74 -1.26 -1.08 119.66 121.42 2k0r s GLN 80 Ca 0.14 -1.21 0.02 0.00 0.05 0.00 0.00 55.36 54.37 2k0r s GLN 80 Cb -0.16 -2.00 -0.01 0.00 1.10 0.00 0.00 33.01 31.94 2k0r s GLN 80 CO -0.13 0.48 -0.07 0.08 -0.55 0.00 0.00 175.29 175.10 2k0r s VAL 81 N -1.00 0.57 -0.18 1.34 1.01 0.74 -0.11 120.40 122.76 2k0r s VAL 81 Ca 0.14 -0.36 -0.07 0.00 0.00 0.00 0.00 61.98 61.69 2k0r s VAL 81 Cb -0.10 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 2k0r s VAL 81 CO 0.06 0.12 0.06 0.00 0.00 0.00 0.00 175.10 175.34 2k0r s ALA 82 N -0.25 3.40 -0.74 5.51 0.00 0.96 -1.79 121.76 128.84 2k0r s ALA 82 Ca 0.02 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.22 2k0r s ALA 82 Cb -0.03 -1.93 0.18 0.00 0.00 0.00 0.00 23.12 21.34 2k0r s ALA 82 CO -0.00 0.16 0.57 -0.06 0.00 0.00 0.00 175.76 176.43 2k0r s PHE 83 N 0.41 3.62 -0.01 0.00 0.08 0.13 0.02 117.98 122.23 2k0r s PHE 83 Ca 0.03 -3.04 -0.30 0.00 0.12 0.00 0.00 56.93 53.74 2k0r s PHE 83 Cb -0.12 -3.06 -0.06 0.00 -0.57 0.00 0.00 43.02 39.21 2k0r s PHE 83 CO 0.00 -0.72 1.46 -1.25 -0.10 0.00 0.00 175.22 174.62 2k0r s PRO 84 N -0.95 4.25 0.99 0.24 0.04 -1.26 -1.10 135.00 137.21 2k0r s PRO 84 Ca 0.23 2.02 -0.12 0.00 0.04 0.00 0.00 61.00 63.18 2k0r s PRO 84 Cb -0.12 -3.65 0.15 0.00 0.04 0.00 0.00 34.50 30.92 2k0r s PRO 84 CO -0.10 -0.65 0.91 0.66 0.04 0.00 0.00 177.00 177.87 2k0r n TYR 85 N 5.76 -0.13 0.00 0.56 4.01 -1.10 -2.68 117.16 123.58 2k0r n TYR 85 Ca 0.14 0.24 0.00 0.00 -0.16 0.00 0.00 57.90 58.13 2k0r n TYR 85 Cb 0.43 -1.87 0.00 0.00 -0.31 0.00 0.00 39.34 37.59 2k0r n TYR 85 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2k0r n ALA 86 N -4.29 2.50 -2.55 -0.72 0.00 -1.26 -4.45 120.51 109.75 2k0r n ALA 86 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.20 2k0r n ALA 86 Cb 0.53 0.32 -0.14 0.00 0.00 0.00 0.00 19.45 20.16 2k0r n ALA 86 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2k0r s LYS 87 N -1.82 2.54 0.22 0.00 1.02 -1.26 -5.00 119.74 115.45 2k0r s LYS 87 Ca 0.00 -0.76 -0.30 0.00 0.02 0.00 0.00 55.97 54.93 2k0r s LYS 87 Cb 0.00 -2.32 -0.09 0.00 -0.52 0.00 0.00 37.83 34.90 2k0r s LYS 87 CO 0.00 0.53 1.29 0.00 -0.92 0.00 0.00 175.35 176.25 2k0r s ALA 88 N -0.51 3.51 -0.28 5.17 0.00 -1.26 -5.00 121.76 123.40 2k0r s ALA 88 Ca 0.07 1.11 -0.15 0.00 0.00 0.00 0.00 51.96 52.99 2k0r s ALA 88 Cb -0.11 -3.47 0.09 0.00 0.00 0.00 0.00 23.12 19.62 2k0r s ALA 88 CO 0.01 -0.52 0.67 0.14 0.00 0.00 0.00 175.76 176.06 2k0r s VAL 89 N -0.17 -0.14 -2.15 0.00 -7.23 -1.26 -5.02 120.40 104.42 2k0r s VAL 89 Ca 0.54 0.01 0.17 0.00 -1.81 0.00 0.00 61.98 60.90 2k0r s VAL 89 Cb -0.36 -0.98 0.42 0.00 0.56 0.00 0.00 36.38 36.02 2k0r s VAL 89 CO 0.41 0.00 1.41 0.61 -0.31 0.00 0.00 175.10 177.22 2k0r n GLY 90 N 4.48 0.96 3.99 2.32 0.00 -1.26 -4.92 105.19 110.77 2k0r n GLY 90 Ca -0.19 -0.51 -0.19 0.00 0.00 0.00 0.00 46.02 45.13 2k0r n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0r s GLU 91 N -1.53 3.06 0.48 1.61 2.02 -1.26 -5.09 118.70 117.99 2k0r s GLU 91 Ca 0.32 -1.00 -0.22 0.00 0.02 0.00 0.00 54.97 54.10 2k0r s GLU 91 Cb 0.17 -2.78 -0.07 0.00 0.10 0.00 0.00 34.13 31.55 2k0r s GLU 91 CO 0.24 -0.04 1.16 -1.25 0.02 0.00 0.00 175.26 175.39 2k0r s PRO 92 N -4.25 3.65 0.24 0.39 0.04 -1.26 -4.95 135.00 128.86 2k0r s PRO 92 Ca 0.47 1.73 0.11 0.00 0.04 0.00 0.00 61.00 63.35 2k0r s PRO 92 Cb -0.10 -2.30 -0.05 0.00 0.04 0.00 0.00 34.50 32.10 2k0r s PRO 92 CO 0.32 -0.63 -0.15 0.71 0.04 0.00 0.00 177.00 177.29 2k0r s TYR 93 N -1.60 2.44 -0.15 0.56 2.02 -0.59 -4.46 117.35 115.57 2k0r s TYR 93 Ca 0.66 -0.29 -0.07 0.00 -0.37 0.00 0.00 57.07 57.00 2k0r s TYR 93 Cb -0.27 -1.13 -0.04 0.00 -0.40 0.00 0.00 41.96 40.12 2k0r s TYR 93 CO 0.33 0.60 0.07 0.21 -1.57 0.00 0.00 175.55 175.19 2k0r s LYS 94 N -3.20 3.72 0.03 -0.62 2.36 -0.65 -1.14 119.74 120.24 2k0r s LYS 94 Ca 0.27 -0.30 0.02 0.00 -2.55 0.00 0.00 55.97 53.41 2k0r s LYS 94 Cb -0.07 -3.15 -0.04 0.00 -1.05 0.00 0.00 37.83 33.52 2k0r s LYS 94 CO 0.15 0.45 0.03 -1.17 1.55 0.00 0.00 175.35 176.37 2k0r s LEU 95 N -0.14 3.65 -0.21 5.43 0.20 0.94 -1.44 118.68 127.10 2k0r s LEU 95 Ca 0.08 -0.00 -0.04 0.00 0.69 0.00 0.00 54.13 54.86 2k0r s LEU 95 Cb -0.12 -2.20 0.10 0.00 -0.43 0.00 0.00 46.19 43.54 2k0r s LEU 95 CO 0.01 0.24 0.26 0.54 -0.29 0.00 0.00 176.35 177.11 2k0r s VAL 96 N -1.21 -0.39 -0.05 1.68 0.11 0.10 -0.94 120.40 119.70 2k0r s VAL 96 Ca 0.23 -0.09 0.05 0.00 -2.93 0.00 0.00 61.98 59.24 2k0r s VAL 96 Cb -0.12 -0.70 -0.02 0.00 -1.53 0.00 0.00 36.38 34.01 2k0r s VAL 96 CO 0.15 -0.18 -0.20 -0.76 -3.33 0.00 0.00 175.10 170.78 2k0r s LEU 97 N 2.38 2.38 -0.10 2.54 1.43 0.68 -1.29 118.68 126.70 2k0r s LEU 97 Ca 0.08 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 2k0r s LEU 97 Cb -0.16 -1.45 0.02 0.00 0.03 0.00 0.00 46.19 44.63 2k0r s LEU 97 CO -0.13 0.30 -0.09 -0.89 0.23 0.00 0.00 176.35 175.77 2k0r s THR 98 N -0.48 1.07 -0.10 5.49 2.01 0.14 -0.00 115.64 123.77 2k0r s THR 98 Ca 0.06 -0.36 -0.01 0.00 0.31 0.00 0.00 61.69 61.70 2k0r s THR 98 Cb -0.12 -1.04 -0.03 0.00 0.01 0.00 0.00 72.50 71.32 2k0r s THR 98 CO 0.01 0.36 -0.07 -0.31 -0.69 0.00 0.00 174.62 173.93 2k0r s TYR 99 N 1.34 2.95 -0.22 4.92 2.02 -0.09 -0.62 117.35 127.64 2k0r s TYR 99 Ca -0.02 -0.13 -0.10 0.00 -0.37 0.00 0.00 57.07 56.46 2k0r s TYR 99 Cb -0.14 -1.79 0.09 0.00 -0.40 0.00 0.00 41.96 39.72 2k0r s TYR 99 CO -0.04 0.18 0.51 -1.14 -1.57 0.00 0.00 175.55 173.48 2k0r s GLN 100 N -0.37 0.46 0.00 -0.62 0.74 -1.26 -0.75 119.66 117.85 2k0r s GLN 100 Ca 0.05 1.09 0.00 0.00 0.05 0.00 0.00 55.36 56.55 2k0r s GLN 100 Cb -0.12 0.32 0.00 0.00 1.10 0.00 0.00 33.01 34.31 2k0r s GLN 100 CO 0.02 -0.20 0.00 0.41 -0.55 0.00 0.00 175.29 174.97 2k0r n GLY 101 N 4.94 2.89 3.36 2.59 0.00 -1.26 -3.25 105.19 114.46 2k0r n GLY 101 Ca -0.15 -0.61 -0.11 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 0.05 0.01 1.61 0.01 0.08 -3.91 113.70 113.56 2k0r s SER 102 Ca 0.00 -1.19 -0.17 0.00 1.31 0.00 0.00 55.95 55.90 2k0r s SER 102 Cb 0.00 0.46 -0.06 0.00 0.21 0.00 0.00 66.02 66.63 2k0r s SER 102 CO 0.00 -0.96 0.47 0.00 0.41 0.00 0.00 173.24 173.16 2k0r s ALA 103 N -4.10 3.64 0.63 1.44 0.00 0.89 -0.52 121.76 123.74 2k0r s ALA 103 Ca 0.32 -0.12 0.33 0.00 0.00 0.00 0.00 51.96 52.48 2k0r s ALA 103 Cb 0.04 -2.50 1.81 0.00 0.00 0.00 0.00 23.12 22.47 2k0r s ALA 103 CO 0.10 0.40 2.10 1.49 0.00 0.00 0.00 175.76 179.85 2k0r h GLU 104 N 4.87 0.00 0.00 0.00 4.81 -1.31 0.18 114.58 123.13 2k0r h GLU 104 Ca -0.50 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.59 2k0r h GLU 104 Cb 1.21 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 2k0r h GLU 104 CO 0.64 0.00 -0.67 0.00 -0.73 0.00 0.00 179.01 178.25 2k0r h ALA 105 N 1.68 0.82 0.00 2.92 0.00 -1.93 -3.47 119.26 119.27 2k0r h ALA 105 Ca 0.05 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2k0r h ALA 105 Cb 0.47 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2k0r h ALA 105 CO -0.00 0.83 0.00 0.41 0.00 0.00 0.00 179.25 180.49 2k0r n GLY 106 N 0.55 0.90 3.29 0.00 0.00 0.62 -5.15 105.19 105.39 2k0r n GLY 106 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.02 1.88 -0.16 1.61 1.01 -1.18 -4.93 120.40 117.59 2k0r s VAL 107 Ca 0.00 -1.18 0.02 0.00 0.00 0.00 0.00 61.98 60.81 2k0r s VAL 107 Cb 0.00 -1.60 0.02 0.00 0.00 0.00 0.00 36.38 34.80 2k0r s VAL 107 CO 0.00 0.37 -0.21 0.00 0.00 0.00 0.00 175.10 175.26 2k0r s TYR 109 N 1.08 2.59 0.83 0.00 1.13 -1.25 -5.05 117.35 116.67 2k0r s TYR 109 Ca -0.00 -0.26 -0.11 0.00 -1.41 0.00 0.00 57.07 55.29 2k0r s TYR 109 Cb -0.14 -1.16 0.09 0.00 -1.10 0.00 0.00 41.96 39.65 2k0r s TYR 109 CO -0.08 0.64 1.09 -1.25 -2.51 0.00 0.00 175.55 173.44 2k0r s PRO 110 N -3.64 1.82 0.59 -3.49 0.04 -1.26 -4.66 135.00 124.39 2k0r s PRO 110 Ca 0.31 1.02 -0.18 0.00 0.04 0.00 0.00 61.00 62.20 2k0r s PRO 110 Cb -0.06 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 2k0r s PRO 110 CO 0.19 -1.91 1.12 -1.25 0.04 0.00 0.00 177.00 175.19 2k0r s PRO 111 N -4.92 3.15 -0.20 0.56 0.04 -1.26 -4.85 135.00 127.52 2k0r s PRO 111 Ca 0.62 1.53 0.01 0.00 0.04 0.00 0.00 61.00 63.20 2k0r s PRO 111 Cb -0.17 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.43 2k0r s PRO 111 CO 0.56 -0.99 -0.09 0.08 0.04 0.00 0.00 177.00 176.60 2k0r s VAL 112 N -1.99 1.56 -0.17 -0.36 1.01 0.07 -4.99 120.40 115.53 2k0r s VAL 112 Ca 0.71 -1.02 -0.09 0.00 0.00 0.00 0.00 61.98 61.58 2k0r s VAL 112 Cb -0.23 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 2k0r s VAL 112 CO 0.32 0.10 0.12 1.51 0.00 0.00 0.00 175.10 177.15 2k0r s ASP 113 N 1.42 6.14 -0.08 3.32 -4.77 -1.26 -0.91 116.67 120.53 2k0r s ASP 113 Ca -0.02 0.27 -0.03 0.00 -3.30 0.00 0.00 52.55 49.46 2k0r s ASP 113 Cb -0.17 -2.05 0.04 0.00 -1.09 0.00 0.00 42.92 39.66 2k0r s ASP 113 CO -0.08 0.25 0.15 0.42 0.70 0.00 0.00 175.17 176.61 2k0r s THR 114 N -0.04 -0.21 0.00 2.11 -4.23 0.99 -5.01 115.64 109.26 2k0r s THR 114 Ca 0.09 0.32 0.00 0.00 -1.18 0.00 0.00 61.69 60.93 2k0r s THR 114 Cb -0.11 -0.27 -0.04 0.00 1.34 0.00 0.00 72.50 73.41 2k0r s THR 114 CO 0.00 0.13 0.06 -1.61 -0.54 0.00 0.00 174.62 172.66 2k0r s GLU 115 N 2.02 2.97 -0.07 3.99 8.01 -1.26 -0.23 118.70 134.14 2k0r s GLU 115 Ca 0.00 -0.54 0.04 0.00 0.01 0.00 0.00 54.97 54.48 2k0r s GLU 115 Cb -0.12 -2.80 0.00 0.00 -4.31 0.00 0.00 34.13 26.91 2k0r s GLU 115 CO -0.06 0.63 -0.17 -0.06 0.01 0.00 0.00 175.26 175.61 2k0r s PHE 116 N -1.18 1.87 -0.40 1.61 0.08 -0.12 -4.93 117.98 114.91 2k0r s PHE 116 Ca 0.22 -0.65 -0.25 0.00 0.12 0.00 0.00 56.93 56.37 2k0r s PHE 116 Cb -0.12 -1.28 0.02 0.00 -0.57 0.00 0.00 43.02 41.07 2k0r s PHE 116 CO 0.14 -0.27 0.87 -0.51 -0.10 0.00 0.00 175.22 175.35 2k0r s ASP 117 N 0.32 6.57 -0.23 1.36 1.01 -1.26 -0.04 116.67 124.40 2k0r s ASP 117 Ca -0.11 0.33 -0.15 0.00 0.71 0.00 0.00 52.55 53.33 2k0r s ASP 117 Cb -0.15 -2.43 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 2k0r s ASP 117 CO 0.04 -0.88 0.37 -0.63 0.21 0.00 0.00 175.17 174.29 2k0r s ILE 118 N 3.42 5.20 -0.01 0.77 -1.09 -0.29 -4.88 121.20 124.33 2k0r s ILE 118 Ca 0.35 0.61 0.03 0.00 -2.23 0.00 0.00 60.65 59.41 2k0r s ILE 118 Cb -0.12 -3.70 0.06 0.00 -1.58 0.00 0.00 42.46 37.12 2k0r s ILE 118 CO 0.21 0.23 1.03 2.22 -1.23 0.00 0.00 174.94 177.39 2k0r n PHE 119 N 4.76 -0.05 -0.35 3.97 1.16 -1.26 -1.54 117.46 124.15 2k0r n PHE 119 Ca -0.09 -0.54 0.00 0.00 -1.87 0.00 0.00 57.45 54.95 2k0r n PHE 119 Cb 0.51 0.46 0.00 0.00 -1.61 0.00 0.00 39.48 38.84 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 0.01 -0.45 0.01 4.97 0.00 -1.26 -5.01 105.19 103.45 2k0r n GLY 120 Ca -0.24 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.62 1.92 3.76 8.20 0.00 -1.26 -4.97 105.19 112.22 2k0r n GLY 122 Ca 0.00 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.06 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 4.93 0.01 2.61 2.01 -1.26 -1.14 115.64 122.80 2k0r s THR 123 Ca 0.00 1.27 -0.02 0.00 0.31 0.00 0.00 61.69 63.25 2k0r s THR 123 Cb 0.00 -3.95 -0.01 0.00 0.01 0.00 0.00 72.50 68.56 2k0r s THR 123 CO 0.00 0.39 0.03 -0.31 -0.69 0.00 0.00 174.62 174.04 2k0r s TYR 124 N -0.04 0.13 0.03 4.92 1.51 -1.20 -4.98 117.35 117.71 2k0r s TYR 124 Ca 0.32 -0.27 -0.09 0.00 -1.01 0.00 0.00 57.07 56.02 2k0r s TYR 124 Cb -0.18 -0.10 0.00 0.00 -0.11 0.00 0.00 41.96 41.57 2k0r s TYR 124 CO 0.17 -0.17 0.17 -1.01 -1.11 0.00 0.00 175.55 173.60 2k0r s HIS 125 N -1.07 0.06 0.68 2.71 3.76 -1.26 -2.56 115.29 117.60 2k0r s HIS 125 Ca -0.12 -0.24 -0.14 0.00 -0.15 0.00 0.00 55.06 54.41 2k0r s HIS 125 Cb -0.07 -0.05 0.01 0.00 1.11 0.00 0.00 32.58 33.58 2k0r s HIS 125 CO -0.00 -0.38 1.11 -1.25 -0.85 0.00 0.00 174.74 173.37 2k0r s PRO 126 N -2.19 2.71 -0.45 8.40 0.04 -1.26 -4.99 135.00 137.26 2k0r s PRO 126 Ca -0.08 1.35 0.04 0.00 0.04 0.00 0.00 61.00 62.36 2k0r s PRO 126 Cb -0.03 -1.94 0.43 0.00 0.04 0.00 0.00 34.50 32.99 2k0r s PRO 126 CO -0.02 -1.31 1.30 1.04 0.04 0.00 0.00 177.00 178.05 2k0r n GLN 127 N -2.59 3.36 0.00 4.56 1.13 -1.26 -5.20 117.38 117.38 2k0r n GLN 127 Ca 0.10 -4.21 0.11 0.00 -1.94 0.00 0.00 57.00 51.07 2k0r n GLN 127 Cb 0.52 -2.26 0.09 0.00 0.11 0.00 0.00 30.24 28.70 2k0r n GLN 127 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03