#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 -3.59 -2.64 3.04 0.00 -1.26 -4.62 120.51 111.44 2k0r n ALA 2 Ca 0.00 0.44 -0.42 0.00 0.00 0.00 0.00 53.44 53.45 2k0r n ALA 2 Cb 0.00 -1.24 -0.03 0.00 0.00 0.00 0.00 19.45 18.18 2k0r n ALA 2 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k0r s LEU 3 N 0.00 4.06 0.00 0.00 1.43 -1.26 -5.01 118.68 117.90 2k0r s LEU 3 Ca 0.00 1.04 0.05 0.00 -1.03 0.00 0.00 54.13 54.19 2k0r s LEU 3 Cb 0.00 -3.32 -0.02 0.00 0.03 0.00 0.00 46.19 42.89 2k0r s LEU 3 CO 0.00 -0.64 0.18 0.47 0.23 0.00 0.00 176.35 176.58 2k0r n ASP 4 N 6.28 -0.29 -2.68 2.29 8.00 -1.26 -5.14 116.55 123.75 2k0r n ASP 4 Ca 0.08 -2.44 0.00 0.00 0.71 0.00 0.00 54.79 53.14 2k0r n ASP 4 Cb 0.47 1.05 0.02 0.00 -0.02 0.00 0.00 41.12 42.64 2k0r n ASP 4 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k0r s ALA 5 N -2.87 -4.81 -0.01 2.24 0.00 -1.26 -4.81 121.76 110.24 2k0r s ALA 5 Ca 0.25 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.41 2k0r s ALA 5 Cb 0.01 -3.05 0.01 0.00 0.00 0.00 0.00 23.12 20.09 2k0r s ALA 5 CO 0.18 -2.55 0.24 -1.71 0.00 0.00 0.00 175.76 171.91 2k0r n ASN 6 N 3.19 -0.05 0.00 0.00 2.85 -1.26 -3.84 115.26 116.15 2k0r n ASN 6 Ca 0.07 -0.47 0.00 0.00 -0.11 0.00 0.00 54.58 54.07 2k0r n ASN 6 Cb 0.65 0.02 0.00 0.00 1.24 0.00 0.00 39.78 41.69 2k0r n ASN 6 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 2k0r n ASP 7 N -0.03 -0.06 0.19 1.20 5.75 -1.26 -4.80 116.55 117.55 2k0r n ASP 7 Ca -0.01 0.00 0.14 0.00 -0.01 0.00 0.00 54.79 54.91 2k0r n ASP 7 Cb 0.37 -0.91 0.44 0.00 -1.03 0.00 0.00 41.12 39.98 2k0r n ASP 7 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2k0r h LEU 8 N 0.00 0.00 -9.70 -2.12 3.38 -1.93 -3.45 115.31 101.49 2k0r h LEU 8 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 2k0r h LEU 8 Cb 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.68 2k0r h LEU 8 CO 0.00 0.00 -0.59 -1.48 0.09 0.00 0.00 178.44 176.46 2k0r s LEU 9 N -5.47 3.49 0.78 1.67 -0.00 -1.26 -5.09 118.68 112.80 2k0r s LEU 9 Ca 0.05 -0.43 -0.11 0.00 -0.00 0.00 0.00 54.13 53.65 2k0r s LEU 9 Cb 0.09 -2.04 0.06 0.00 -0.00 0.00 0.00 46.19 44.30 2k0r s LEU 9 CO 0.56 -0.00 1.09 -2.16 -0.00 0.00 0.00 176.35 175.84 2k0r s PRO 10 N -3.64 2.22 0.00 1.48 0.04 -1.26 -4.82 135.00 129.01 2k0r s PRO 10 Ca 0.32 1.16 0.14 0.00 0.04 0.00 0.00 61.00 62.66 2k0r s PRO 10 Cb -0.07 -1.89 0.65 0.00 0.04 0.00 0.00 34.50 33.22 2k0r s PRO 10 CO 0.22 -1.67 1.44 -0.35 0.04 0.00 0.00 177.00 176.68 2k0r n PRO 11 N -3.54 0.06 0.07 0.56 -0.04 -1.26 -1.14 135.00 129.72 2k0r n PRO 11 Ca 0.09 0.22 -0.11 0.00 -0.04 0.00 0.00 63.50 63.66 2k0r n PRO 11 Cb 0.53 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 2k0r n PRO 11 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2k0r h GLU 12 N 0.00 0.31 0.00 0.54 -0.00 -1.91 -3.31 114.58 110.20 2k0r h GLU 12 Ca 0.00 -0.33 0.00 0.00 -0.00 0.00 0.00 59.36 59.03 2k0r h GLU 12 Cb 0.21 0.09 0.00 0.00 -0.00 0.00 0.00 28.75 29.06 2k0r h GLU 12 CO 0.00 1.03 -0.98 0.36 -0.00 0.00 0.00 179.01 179.42 2k0r n LYS 13 N -3.71 1.93 0.25 1.06 -0.00 -1.08 -4.44 118.16 112.17 2k0r n LYS 13 Ca -0.05 -0.05 0.11 0.00 -0.00 0.00 0.00 58.31 58.32 2k0r n LYS 13 Cb 0.82 -1.17 0.63 0.00 -0.00 0.00 0.00 35.03 35.31 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 1.50 1.23 -3.51 0.58 0.00 -1.23 -3.42 119.26 114.42 2k0r h ALA 14 Ca 0.00 -0.16 -0.67 0.00 0.00 0.00 0.00 54.91 54.08 2k0r h ALA 14 Cb 0.40 -0.03 -0.28 0.00 0.00 0.00 0.00 17.79 17.88 2k0r h ALA 14 CO 0.00 0.21 -0.81 -0.06 0.00 0.00 0.00 179.25 178.60 2k0r s PHE 15 N -4.07 2.70 -0.68 0.00 0.08 -1.25 -0.00 117.98 114.76 2k0r s PHE 15 Ca -0.02 -0.67 0.05 0.00 0.12 0.00 0.00 56.93 56.41 2k0r s PHE 15 Cb 0.13 -1.75 0.17 0.00 -0.57 0.00 0.00 43.02 40.99 2k0r s PHE 15 CO 0.61 -0.20 0.48 0.08 -0.10 0.00 0.00 175.22 176.09 2k0r s VAL 16 N 0.13 2.66 0.25 -0.44 1.01 0.98 -4.90 120.40 120.10 2k0r s VAL 16 Ca -0.09 -4.13 -0.30 0.00 0.00 0.00 0.00 61.98 57.47 2k0r s VAL 16 Cb -0.15 -2.75 -0.09 0.00 0.00 0.00 0.00 36.38 33.38 2k0r s VAL 16 CO 0.05 -1.03 1.26 -2.16 0.00 0.00 0.00 175.10 173.23 2k0r s PRO 17 N -1.31 4.43 -0.02 2.72 0.04 -1.26 -1.54 135.00 138.05 2k0r s PRO 17 Ca 0.26 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.34 2k0r s PRO 17 Cb -0.04 -3.16 0.03 0.00 0.04 0.00 0.00 34.50 31.37 2k0r s PRO 17 CO -0.17 -0.14 0.02 -2.00 0.04 0.00 0.00 177.00 174.76 2k0r s GLU 18 N -0.88 0.01 0.01 4.56 2.12 0.10 -4.86 118.70 119.77 2k0r s GLU 18 Ca 0.52 0.15 0.00 0.00 0.36 0.00 0.00 54.97 56.00 2k0r s GLU 18 Cb -0.36 -0.25 -0.04 0.00 0.26 0.00 0.00 34.13 33.73 2k0r s GLU 18 CO 0.43 -0.14 0.08 -1.17 -0.54 0.00 0.00 175.26 173.92 2k0r s LEU 19 N 0.94 3.89 -0.25 2.70 1.98 -1.10 -0.69 118.68 126.15 2k0r s LEU 19 Ca -0.08 0.12 -0.02 0.00 -2.89 0.00 0.00 54.13 51.26 2k0r s LEU 19 Cb -0.12 -2.34 0.12 0.00 0.66 0.00 0.00 46.19 44.52 2k0r s LEU 19 CO -0.02 0.25 0.27 0.00 -1.89 0.00 0.00 176.35 174.96 2k0r s ALA 20 N -1.24 -0.44 0.21 5.97 0.00 0.97 -3.11 121.76 124.12 2k0r s ALA 20 Ca 0.24 0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.92 2k0r s ALA 20 Cb -0.12 -1.60 -0.08 0.00 0.00 0.00 0.00 23.12 21.32 2k0r s ALA 20 CO 0.16 -1.48 1.04 0.08 0.00 0.00 0.00 175.76 175.57 2k0r s VAL 21 N 2.36 3.91 0.36 0.00 1.01 -0.25 -0.53 120.40 127.26 2k0r s VAL 21 Ca 0.09 1.76 0.02 0.00 0.00 0.00 0.00 61.98 63.85 2k0r s VAL 21 Cb -0.15 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 2k0r s VAL 21 CO -0.24 0.35 0.06 0.00 0.00 0.00 0.00 175.10 175.27 2k0r n ALA 22 N 1.94 0.39 0.19 5.51 0.00 0.11 -4.77 120.51 123.88 2k0r n ALA 22 Ca 0.01 -1.69 0.12 0.00 0.00 0.00 0.00 53.44 51.87 2k0r n ALA 22 Cb 0.46 1.02 0.02 0.00 0.00 0.00 0.00 19.45 20.96 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 -1.44 0.82 -0.45 0.00 -0.08 -1.26 -3.92 116.55 110.21 2k0r n ASP 23 Ca -0.11 0.27 0.07 0.00 -1.51 0.00 0.00 54.79 53.51 2k0r n ASP 23 Cb 0.49 0.43 0.16 0.00 2.34 0.00 0.00 41.12 44.53 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 -2.57 2.92 0.00 1.67 9.92 -1.26 -5.03 116.55 122.20 2k0r n ASP 24 Ca 0.01 -2.61 0.00 0.00 -0.53 0.00 0.00 54.79 51.65 2k0r n ASP 24 Cb 0.53 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.67 2k0r n ASP 24 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k0r n GLY 25 N -0.51 0.49 3.25 0.44 0.00 -1.25 -3.29 105.19 104.32 2k0r n GLY 25 Ca 0.14 -1.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.21 1.86 -0.11 1.61 1.01 -0.36 0.04 120.40 122.25 2k0r s VAL 26 Ca 0.00 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.02 2k0r s VAL 26 Cb 0.00 -1.55 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 2k0r s VAL 26 CO 0.00 0.52 -0.21 0.20 0.00 0.00 0.00 175.10 175.61 2k0r s ASN 27 N -0.38 3.32 -0.08 3.32 0.01 0.31 0.22 114.94 121.66 2k0r s ASN 27 Ca 0.04 -0.50 0.02 0.00 -0.71 0.00 0.00 52.86 51.72 2k0r s ASN 27 Cb -0.11 -1.45 0.01 0.00 0.41 0.00 0.00 41.25 40.12 2k0r s ASN 27 CO 0.01 0.16 -0.14 0.54 -1.51 0.00 0.00 177.10 176.16 2k0r s VAL 28 N 0.33 1.33 -0.07 1.60 0.11 -0.70 -0.02 120.40 122.97 2k0r s VAL 28 Ca -0.17 -0.58 0.02 0.00 -2.93 0.00 0.00 61.98 58.32 2k0r s VAL 28 Cb -0.17 -1.20 0.02 0.00 -1.53 0.00 0.00 36.38 33.49 2k0r s VAL 28 CO 0.08 0.40 -0.11 -0.60 -3.33 0.00 0.00 175.10 171.54 2k0r s ARG 29 N 0.69 1.67 -0.18 1.54 3.00 0.13 -0.17 118.95 125.63 2k0r s ARG 29 Ca -0.14 -0.39 0.01 0.00 -1.00 0.00 0.00 55.73 54.22 2k0r s ARG 29 Cb -0.16 -1.43 0.02 0.00 0.00 0.00 0.00 34.95 33.38 2k0r s ARG 29 CO 0.04 -0.02 -0.20 -0.59 0.00 0.00 0.00 175.30 174.52 2k0r s PHE 30 N 0.83 2.77 -0.35 5.12 -0.71 -0.09 0.01 117.98 125.57 2k0r s PHE 30 Ca -0.12 -1.64 -0.25 0.00 -1.04 0.00 0.00 56.93 53.89 2k0r s PHE 30 Cb -0.15 -1.92 0.01 0.00 -1.21 0.00 0.00 43.02 39.75 2k0r s PHE 30 CO 0.02 -0.80 0.89 1.03 -1.34 0.00 0.00 175.22 175.01 2k0r s ARG 31 N 1.27 3.88 0.01 1.99 0.52 -0.59 -3.05 118.95 122.98 2k0r s ARG 31 Ca 0.04 0.59 -0.04 0.00 -0.52 0.00 0.00 55.73 55.80 2k0r s ARG 31 Cb -0.13 -3.78 -0.04 0.00 0.52 0.00 0.00 34.95 31.51 2k0r s ARG 31 CO -0.12 -0.87 0.23 0.42 0.02 0.00 0.00 175.30 174.98 2k0r s ILE 32 N 3.32 5.37 0.57 1.52 1.01 0.88 -0.01 121.20 133.85 2k0r s ILE 32 Ca 0.36 -0.05 -0.20 0.00 0.00 0.00 0.00 60.65 60.77 2k0r s ILE 32 Cb -0.13 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 2k0r s ILE 32 CO 0.17 0.30 1.26 0.00 0.00 0.00 0.00 174.94 176.68 2k0r s ALA 33 N -1.35 2.66 0.58 9.38 0.00 1.00 -4.16 121.76 129.86 2k0r s ALA 33 Ca 0.29 1.14 0.41 0.00 0.00 0.00 0.00 51.96 53.80 2k0r s ALA 33 Cb -0.13 -3.50 2.24 0.00 0.00 0.00 0.00 23.12 21.73 2k0r s ALA 33 CO 0.19 -1.23 2.26 0.22 0.00 0.00 0.00 175.76 177.19 2k0r h ASP 34 N 1.17 0.00 -0.27 0.00 1.82 -1.77 0.16 116.42 117.53 2k0r h ASP 34 Ca -0.51 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.13 2k0r h ASP 34 Cb 1.30 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.31 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 -1.12 0.83 3.21 -0.78 0.00 -1.25 -4.76 105.19 101.33 2k0r n GLY 35 Ca -0.03 -0.53 -0.14 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 -1.65 1.16 -0.21 1.61 2.02 0.56 -0.83 117.35 119.99 2k0r s TYR 36 Ca 0.34 -0.72 -0.16 0.00 -0.37 0.00 0.00 57.07 56.16 2k0r s TYR 36 Cb 0.19 -0.61 0.06 0.00 -0.40 0.00 0.00 41.96 41.20 2k0r s TYR 36 CO 0.27 0.03 0.54 1.52 -1.57 0.00 0.00 175.55 176.34 2k0r s TYR 37 N -2.94 -0.71 -0.03 2.71 -0.85 -0.03 -4.50 117.35 111.00 2k0r s TYR 37 Ca 0.11 1.57 0.03 0.00 -0.52 0.00 0.00 57.07 58.26 2k0r s TYR 37 Cb 0.00 0.32 -0.03 0.00 0.38 0.00 0.00 41.96 42.63 2k0r s TYR 37 CO -0.00 -0.36 -0.09 -1.64 -1.52 0.00 0.00 175.55 171.94 2k0r s MET 38 N 0.89 2.57 0.09 -3.49 -1.94 -1.04 -0.93 119.30 115.45 2k0r s MET 38 Ca -0.05 -0.68 -0.30 0.00 -1.71 0.00 0.00 55.69 52.96 2k0r s MET 38 Cb -0.05 -2.48 -0.05 0.00 2.01 0.00 0.00 34.83 34.25 2k0r s MET 38 CO -0.08 0.62 0.95 0.71 -0.01 0.00 0.00 175.02 177.22 2k0r s TYR 39 N -0.87 3.79 0.38 -0.03 2.02 -1.20 -1.31 117.35 120.13 2k0r s TYR 39 Ca 0.14 1.77 0.15 0.00 -0.37 0.00 0.00 57.07 58.76 2k0r s TYR 39 Cb -0.11 -3.05 0.99 0.00 -0.40 0.00 0.00 41.96 39.39 2k0r s TYR 39 CO 0.04 0.18 1.81 0.37 -1.57 0.00 0.00 175.55 176.38 2k0r h GLN 40 N 5.74 0.49 -0.01 -0.62 4.15 -1.06 0.38 115.11 124.17 2k0r h GLN 40 Ca -0.43 -0.03 -0.15 0.00 0.77 0.00 0.00 58.65 58.81 2k0r h GLN 40 Cb 1.21 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.77 2k0r h GLN 40 CO 0.72 0.32 -0.71 0.00 -1.93 0.00 0.00 178.83 177.23 2k0r h ALA 41 N 1.62 0.80 -0.01 3.38 0.00 -1.92 -3.20 119.26 119.93 2k0r h ALA 41 Ca 0.53 -0.64 -0.23 0.00 0.00 0.00 0.00 54.91 54.57 2k0r h ALA 41 Cb 1.17 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.87 2k0r h ALA 41 CO -0.26 0.86 -0.96 0.87 0.00 0.00 0.00 179.25 179.77 2k0r h LYS 42 N 0.04 0.49 -6.73 0.00 6.56 -0.69 -3.44 116.57 112.80 2k0r h LYS 42 Ca -0.01 -0.52 -0.52 0.00 -1.06 0.00 0.00 60.65 58.54 2k0r h LYS 42 Cb 1.26 0.15 0.03 0.00 -0.57 0.00 0.00 32.23 33.10 2k0r h LYS 42 CO 0.10 1.16 0.60 0.42 -2.06 0.00 0.00 179.45 179.67 2k0r s ILE 43 N -3.30 3.26 0.09 1.86 1.01 0.42 -4.38 121.20 120.17 2k0r s ILE 43 Ca -0.07 1.10 0.04 0.00 0.00 0.00 0.00 60.65 61.73 2k0r s ILE 43 Cb 0.08 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 2k0r s ILE 43 CO 0.88 0.20 -0.11 -0.69 0.00 0.00 0.00 174.94 175.22 2k0r s VAL 44 N -0.32 0.96 -0.30 2.92 1.01 0.96 -4.93 120.40 120.71 2k0r s VAL 44 Ca 0.53 -1.58 -0.12 0.00 0.00 0.00 0.00 61.98 60.81 2k0r s VAL 44 Cb -0.35 -1.30 0.18 0.00 0.00 0.00 0.00 36.38 34.91 2k0r s VAL 44 CO 0.41 -0.50 1.01 -0.83 0.00 0.00 0.00 175.10 175.19 2k0r s GLY 45 N -2.32 -0.39 -0.01 4.51 0.00 -1.24 -1.27 107.32 106.60 2k0r s GLY 45 Ca 0.04 2.71 0.00 0.00 0.00 0.00 0.00 44.72 47.48 2k0r s GLY 45 CO 0.01 3.74 0.00 1.25 0.00 0.00 0.00 173.10 178.10 2k0r s LYS 46 N 2.92 0.11 -0.04 2.90 2.36 -0.55 -4.66 119.74 122.77 2k0r s LYS 46 Ca 0.01 0.06 0.01 0.00 -2.55 0.00 0.00 55.97 53.50 2k0r s LYS 46 Cb -0.10 -0.24 0.02 0.00 -1.05 0.00 0.00 37.83 36.46 2k0r s LYS 46 CO -0.12 -0.07 -0.06 -0.08 1.55 0.00 0.00 175.35 176.57 2k0r s THR 47 N 0.56 0.63 0.00 3.43 -1.32 -1.26 -0.25 115.64 117.43 2k0r s THR 47 Ca -0.05 -0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.24 2k0r s THR 47 Cb -0.08 -0.62 0.00 0.00 -1.51 0.00 0.00 72.50 70.29 2k0r s THR 47 CO -0.01 0.24 0.00 -0.46 -2.21 0.00 0.00 174.62 172.17 2k0r n ASN 48 N 3.90 0.00 0.02 8.08 6.94 0.50 -4.44 115.26 130.26 2k0r n ASN 48 Ca -0.24 0.00 0.08 0.00 -0.02 0.00 0.00 54.58 54.39 2k0r n ASN 48 Cb 0.51 0.00 0.33 0.00 -2.36 0.00 0.00 39.78 38.27 2k0r n ASN 48 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 2k0r n PRO 49 N -0.12 0.03 0.00 -0.53 -0.04 -1.26 -1.47 135.00 131.61 2k0r n PRO 49 Ca 0.00 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 2k0r n PRO 49 Cb 0.00 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 2k0r n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k0r n ALA 50 N -1.55 0.00 0.00 0.55 0.00 -1.26 -4.83 120.51 113.43 2k0r n ALA 50 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2k0r n ALA 50 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 -2.13 0.00 -0.02 0.00 -0.08 -1.26 -5.02 116.55 108.03 2k0r n ASP 51 Ca 0.00 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 53.07 2k0r n ASP 51 Cb 0.00 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.32 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 0.00 2.65 -4.58 -2.67 4.77 -1.26 -4.94 117.00 110.97 2k0r n LEU 52 Ca 0.00 0.17 -0.43 0.00 -0.03 0.00 0.00 56.01 55.73 2k0r n LEU 52 Cb 0.00 -1.09 0.00 0.00 -2.33 0.00 0.00 43.42 40.00 2k0r n LEU 52 CO 0.00 0.85 0.50 -0.11 -1.33 0.00 0.00 177.39 177.29 2k0r n LEU 53 N -3.49 1.90 0.00 2.23 7.94 -1.26 -3.78 117.00 120.54 2k0r n LEU 53 Ca -0.34 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.63 2k0r n LEU 53 Cb 1.03 -1.29 0.00 0.00 0.53 0.00 0.00 43.42 43.69 2k0r n LEU 53 CO 0.40 -1.68 0.00 0.61 -1.11 0.00 0.00 177.39 175.61 2k0r n GLY 54 N 1.29 -1.07 3.07 -3.96 0.00 -1.08 -4.78 105.19 98.66 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 1.20 0.00 0.00 0.00 173.32 174.52 2k0r s GLN 55 N 0.00 0.55 0.36 1.61 -0.21 -1.26 -5.04 119.66 115.67 2k0r s GLN 55 Ca 0.00 -1.05 -0.27 0.00 0.02 0.00 0.00 55.36 54.06 2k0r s GLN 55 Cb 0.00 0.12 -0.09 0.00 1.00 0.00 0.00 33.01 34.04 2k0r s GLN 55 CO 0.00 -0.08 1.21 -1.25 -2.12 0.00 0.00 175.29 173.05 2k0r s PRO 56 N -3.16 4.26 -0.62 2.91 0.04 -1.26 -4.31 135.00 132.86 2k0r s PRO 56 Ca 0.01 1.98 0.04 0.00 0.04 0.00 0.00 61.00 63.07 2k0r s PRO 56 Cb 0.02 -2.91 0.15 0.00 0.04 0.00 0.00 34.50 31.81 2k0r s PRO 56 CO -0.07 -0.19 0.39 -1.12 0.04 0.00 0.00 177.00 176.06 2k0r s SER 57 N -0.85 4.47 0.68 6.66 0.01 0.11 -4.94 113.70 119.84 2k0r s SER 57 Ca 0.52 -3.48 -0.17 0.00 1.31 0.00 0.00 55.95 54.14 2k0r s SER 57 Cb -0.34 -1.56 -0.04 0.00 0.21 0.00 0.00 66.02 64.28 2k0r s SER 57 CO 0.44 -0.15 0.64 0.49 0.41 0.00 0.00 173.24 175.08 2k0r n PHE 58 N 2.47 -0.37 1.54 2.43 3.72 -1.26 -1.33 117.46 124.66 2k0r n PHE 58 Ca 0.14 0.38 0.14 0.00 -0.05 0.00 0.00 57.45 58.06 2k0r n PHE 58 Cb 0.34 -1.97 0.76 0.00 -0.94 0.00 0.00 39.48 37.68 2k0r n PHE 58 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2k0r n SER 59 N -0.42 0.00 -1.76 4.37 2.88 0.10 -4.83 113.62 113.96 2k0r n SER 59 Ca 0.11 -0.53 0.00 0.00 -1.33 0.00 0.00 58.87 57.13 2k0r n SER 59 Cb 0.49 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 2k0r n SER 59 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2k0r n LYS 60 N -1.13 -4.06 0.00 -1.46 4.76 -1.26 -5.00 118.16 110.01 2k0r n LYS 60 Ca 0.17 3.02 0.00 0.00 -2.87 0.00 0.00 58.31 58.64 2k0r n LYS 60 Cb 0.15 -3.30 0.00 0.00 -1.84 0.00 0.00 35.03 30.04 2k0r n LYS 60 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k0r n GLY 61 N 1.39 1.65 3.43 0.72 0.00 -1.26 -5.07 105.19 106.05 2k0r n GLY 61 Ca 0.00 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 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 4.41 2.26 0.07 1.61 2.02 -0.43 -4.86 118.70 123.79 2k0r s GLU 62 Ca 0.00 -0.85 -0.30 0.00 0.02 0.00 0.00 54.97 53.84 2k0r s GLU 62 Cb 0.00 -2.23 -0.05 0.00 0.10 0.00 0.00 34.13 31.95 2k0r s GLU 62 CO 0.00 0.58 0.97 -1.83 0.02 0.00 0.00 175.26 175.00 2k0r s GLU 63 N -0.91 4.64 -0.01 1.61 4.04 -1.26 -0.82 118.70 125.98 2k0r s GLU 63 Ca 0.12 1.45 -0.06 0.00 0.04 0.00 0.00 54.97 56.52 2k0r s GLU 63 Cb -0.10 -3.40 0.00 0.00 0.02 0.00 0.00 34.13 30.64 2k0r s GLU 63 CO 0.01 0.11 0.12 0.21 -1.84 0.00 0.00 175.26 173.88 2k0r s LYS 64 N 0.37 0.37 -0.12 -4.83 2.36 -0.35 -4.97 119.74 112.57 2k0r s LYS 64 Ca 0.49 -0.24 0.00 0.00 -2.55 0.00 0.00 55.97 53.67 2k0r s LYS 64 Cb -0.23 0.16 -0.02 0.00 -1.05 0.00 0.00 37.83 36.69 2k0r s LYS 64 CO 0.29 -0.08 -0.13 -2.00 1.55 0.00 0.00 175.35 174.98 2k0r s GLU 65 N -0.95 3.26 0.00 4.03 2.12 -1.25 -1.22 118.70 124.68 2k0r s GLU 65 Ca -0.10 -0.68 0.00 0.00 0.36 0.00 0.00 54.97 54.54 2k0r s GLU 65 Cb -0.06 -2.60 0.00 0.00 0.26 0.00 0.00 34.13 31.73 2k0r s GLU 65 CO 0.01 0.28 0.00 -3.47 -0.54 0.00 0.00 175.26 171.54 2k0r n ASP 66 N 3.33 0.00 -0.12 -1.70 2.03 -0.38 -4.92 116.55 114.79 2k0r n ASP 66 Ca -0.18 -0.80 0.06 0.00 0.52 0.00 0.00 54.79 54.39 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 2.59 0.00 -0.67 0.28 -1.26 -2.40 120.64 119.17 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 39.67 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 -0.40 0.00 0.00 1.38 -1.74 -1.26 -5.16 117.46 110.27 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 3.40 4.97 0.00 -1.01 -4.90 105.19 107.45 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 -1.19 -0.13 0.00 -0.47 0.00 0.00 55.73 53.94 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 -1.14 -1.08 0.00 0.00 175.30 172.12 2k0r s GLN 72 N 2.60 1.47 0.17 3.89 0.74 -0.35 -4.94 119.66 123.25 2k0r s GLN 72 Ca 0.12 -1.21 -0.28 0.00 0.05 0.00 0.00 55.36 54.05 2k0r s GLN 72 Cb -0.23 0.46 -0.08 0.00 1.10 0.00 0.00 33.01 34.26 2k0r s GLN 72 CO 0.08 -0.60 0.86 0.99 -0.55 0.00 0.00 175.29 176.07 2k0r s THR 73 N -4.00 4.31 0.26 -0.34 2.01 -1.26 -1.21 115.64 115.40 2k0r s THR 73 Ca 0.21 1.89 -0.00 0.00 0.31 0.00 0.00 61.69 64.09 2k0r s THR 73 Cb -0.00 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.25 2k0r s THR 73 CO 0.07 0.47 0.25 0.68 -0.69 0.00 0.00 174.62 175.40 2k0r s VAL 74 N -0.90 0.00 -0.06 3.82 -7.23 -0.00 -0.39 120.40 115.63 2k0r s VAL 74 Ca 0.39 -1.89 0.06 0.00 -1.81 0.00 0.00 61.98 58.73 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 0.00 175.10 174.52 2k0r s TYR 75 N -3.82 2.44 -2.49 2.82 2.02 -0.43 -1.31 117.35 116.59 2k0r s TYR 75 Ca 0.37 -0.70 0.24 0.00 -0.37 0.00 0.00 57.07 56.61 2k0r s TYR 75 Cb 0.04 -1.60 0.23 0.00 -0.40 0.00 0.00 41.96 40.24 2k0r s TYR 75 CO 0.17 -0.20 1.26 -2.39 -1.57 0.00 0.00 175.55 172.82 2k0r n HIS 76 N 2.92 0.00 0.00 2.71 1.44 -1.26 -2.50 115.22 118.53 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 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.62 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 0.56 -2.29 -2.66 -1.40 -0.00 -1.26 -4.17 115.22 104.00 2k0r n HIS 77 Ca 0.12 0.02 -0.43 0.00 -0.00 0.00 0.00 57.72 57.44 2k0r n HIS 77 Cb 0.51 0.50 -0.02 0.00 -0.00 0.00 0.00 29.99 30.98 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 -1.90 4.27 -0.34 1.57 -1.05 -1.26 -0.08 118.70 119.91 2k0r s GLU 78 Ca 0.00 1.36 0.01 0.00 -0.15 0.00 0.00 54.97 56.19 2k0r s GLU 78 Cb 0.00 -3.63 0.14 0.00 -0.44 0.00 0.00 34.13 30.20 2k0r s GLU 78 CO 0.00 -0.61 0.31 0.00 0.95 0.00 0.00 175.26 175.91 2k0r s ALA 79 N 3.12 -0.17 0.09 -0.84 0.00 -1.17 -4.78 121.76 118.00 2k0r s ALA 79 Ca 0.44 -0.91 0.10 0.00 0.00 0.00 0.00 51.96 51.59 2k0r s ALA 79 Cb -0.15 -1.86 -0.03 0.00 0.00 0.00 0.00 23.12 21.07 2k0r s ALA 79 CO 0.07 -1.97 -0.27 -1.14 0.00 0.00 0.00 175.76 172.45 2k0r s GLN 80 N 1.71 1.60 -0.01 0.00 0.74 -1.26 -0.91 119.66 121.53 2k0r s GLN 80 Ca 0.14 -1.22 0.03 0.00 0.05 0.00 0.00 55.36 54.35 2k0r s GLN 80 Cb -0.16 -1.93 -0.00 0.00 1.10 0.00 0.00 33.01 32.01 2k0r s GLN 80 CO -0.14 0.48 -0.09 0.08 -0.55 0.00 0.00 175.29 175.07 2k0r s VAL 81 N -0.93 0.70 -0.18 1.34 1.01 0.76 0.00 120.40 123.10 2k0r s VAL 81 Ca 0.13 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 61.67 2k0r s VAL 81 Cb -0.10 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 2k0r s VAL 81 CO 0.04 0.21 0.09 0.00 0.00 0.00 0.00 175.10 175.44 2k0r s ALA 82 N -0.09 3.55 -0.70 5.51 0.00 -0.44 -1.72 121.76 127.87 2k0r s ALA 82 Ca 0.02 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.28 2k0r s ALA 82 Cb -0.05 -1.99 0.17 0.00 0.00 0.00 0.00 23.12 21.25 2k0r s ALA 82 CO -0.00 0.24 0.51 -0.06 0.00 0.00 0.00 175.76 176.44 2k0r s PHE 83 N 0.15 3.54 0.18 0.00 0.08 0.13 0.04 117.98 122.10 2k0r s PHE 83 Ca 0.06 -3.11 -0.30 0.00 0.12 0.00 0.00 56.93 53.70 2k0r s PHE 83 Cb -0.12 -2.96 -0.08 0.00 -0.57 0.00 0.00 43.02 39.29 2k0r s PHE 83 CO -0.00 -0.69 1.32 -1.25 -0.10 0.00 0.00 175.22 174.49 2k0r s PRO 84 N -0.92 4.38 0.54 0.24 0.04 -1.26 -1.22 135.00 136.80 2k0r s PRO 84 Ca 0.22 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 63.10 2k0r s PRO 84 Cb -0.13 -3.21 -0.06 0.00 0.04 0.00 0.00 34.50 31.14 2k0r s PRO 84 CO -0.09 -0.28 1.15 0.71 0.04 0.00 0.00 177.00 178.52 2k0r s TYR 85 N 0.34 2.67 -0.09 0.56 2.02 -1.21 -2.65 117.35 118.99 2k0r s TYR 85 Ca 0.58 1.54 0.01 0.00 -0.37 0.00 0.00 57.07 58.83 2k0r s TYR 85 Cb -0.36 -3.33 0.01 0.00 -0.40 0.00 0.00 41.96 37.88 2k0r s TYR 85 CO 0.36 -1.64 0.67 0.00 -1.57 0.00 0.00 175.55 173.37 2k0r n ALA 86 N -1.20 2.36 -3.47 3.71 0.00 -1.25 -4.64 120.51 116.02 2k0r n ALA 86 Ca 0.11 -0.66 -0.13 0.00 0.00 0.00 0.00 53.44 52.77 2k0r n ALA 86 Cb 0.50 -0.03 -0.09 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.34 0.61 -0.27 0.00 2.47 -1.26 -4.94 119.74 116.00 2k0r s LYS 87 Ca 0.01 0.77 -0.29 0.00 -1.56 0.00 0.00 55.97 54.90 2k0r s LYS 87 Cb 0.01 0.27 0.01 0.00 -1.46 0.00 0.00 37.83 36.65 2k0r s LYS 87 CO 0.01 -0.09 1.18 0.00 0.16 0.00 0.00 175.35 176.61 2k0r s ALA 88 N 0.45 3.51 -0.12 3.13 0.00 -1.26 -4.99 121.76 122.48 2k0r s ALA 88 Ca -0.01 0.12 -0.18 0.00 0.00 0.00 0.00 51.96 51.89 2k0r s ALA 88 Cb -0.04 -3.68 0.04 0.00 0.00 0.00 0.00 23.12 19.44 2k0r s ALA 88 CO -0.02 -1.46 0.47 0.14 0.00 0.00 0.00 175.76 174.90 2k0r s VAL 89 N 3.79 0.01 -0.36 0.00 -7.23 -1.26 -5.04 120.40 110.32 2k0r s VAL 89 Ca 0.50 -0.11 0.16 0.00 -1.81 0.00 0.00 61.98 60.72 2k0r s VAL 89 Cb -0.16 -0.71 0.55 0.00 0.56 0.00 0.00 36.38 36.63 2k0r s VAL 89 CO 0.16 -0.06 1.46 0.61 -0.31 0.00 0.00 175.10 176.96 2k0r n GLY 90 N 2.19 3.63 3.98 2.32 0.00 -1.26 -5.00 105.19 111.05 2k0r n GLY 90 Ca -0.16 -0.92 -0.20 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.49 3.32 0.59 1.61 2.02 -1.26 -5.09 118.70 117.39 2k0r s GLU 91 Ca 0.42 -0.83 -0.18 0.00 0.02 0.00 0.00 54.97 54.40 2k0r s GLU 91 Cb 0.32 -2.85 -0.04 0.00 0.10 0.00 0.00 34.13 31.66 2k0r s GLU 91 CO 0.12 0.28 1.12 -1.25 0.02 0.00 0.00 175.26 175.55 2k0r s PRO 92 N -4.07 3.14 0.21 0.39 0.04 -1.26 -4.97 135.00 128.48 2k0r s PRO 92 Ca 0.38 1.53 0.01 0.00 0.04 0.00 0.00 61.00 62.96 2k0r s PRO 92 Cb -0.09 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 2k0r s PRO 92 CO 0.30 -1.01 0.05 1.52 0.04 0.00 0.00 177.00 177.90 2k0r s TYR 93 N -1.99 1.36 0.01 0.56 1.13 -0.75 -4.56 117.35 113.11 2k0r s TYR 93 Ca 0.70 -1.11 0.02 0.00 -1.41 0.00 0.00 57.07 55.28 2k0r s TYR 93 Cb -0.23 -0.78 -0.04 0.00 -1.10 0.00 0.00 41.96 39.82 2k0r s TYR 93 CO 0.33 -0.28 -0.00 0.21 -2.51 0.00 0.00 175.55 173.29 2k0r s LYS 94 N -3.98 2.74 0.02 -3.49 2.20 -0.54 -1.51 119.74 115.17 2k0r s LYS 94 Ca 0.31 -0.65 0.07 0.00 -0.36 0.00 0.00 55.97 55.33 2k0r s LYS 94 Cb 0.07 -2.64 -0.02 0.00 -1.51 0.00 0.00 37.83 33.73 2k0r s LYS 94 CO 0.09 0.61 -0.20 -1.17 -0.36 0.00 0.00 175.35 174.31 2k0r s LEU 95 N -1.67 2.11 -0.08 5.43 2.96 0.10 -0.37 118.68 127.17 2k0r s LEU 95 Ca 0.20 -0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 53.65 2k0r s LEU 95 Cb -0.12 -0.98 0.03 0.00 0.50 0.00 0.00 46.19 45.62 2k0r s LEU 95 CO 0.11 0.19 -0.02 0.54 -1.32 0.00 0.00 176.35 175.86 2k0r s VAL 96 N -0.66 0.52 -0.04 1.68 0.11 0.65 0.22 120.40 122.87 2k0r s VAL 96 Ca 0.07 0.03 0.07 0.00 -2.93 0.00 0.00 61.98 59.22 2k0r s VAL 96 Cb -0.08 -0.64 -0.01 0.00 -1.53 0.00 0.00 36.38 34.11 2k0r s VAL 96 CO 0.01 0.28 -0.25 -0.76 -3.33 0.00 0.00 175.10 171.05 2k0r s LEU 97 N 1.89 2.10 -0.08 2.54 1.43 0.71 -1.48 118.68 125.79 2k0r s LEU 97 Ca 0.05 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 2k0r s LEU 97 Cb -0.12 -1.37 0.02 0.00 0.03 0.00 0.00 46.19 44.75 2k0r s LEU 97 CO -0.06 0.28 -0.07 -0.89 0.23 0.00 0.00 176.35 175.84 2k0r s THR 98 N -0.35 0.86 -0.09 5.49 2.01 -0.40 -0.06 115.64 123.11 2k0r s THR 98 Ca 0.02 -0.25 0.03 0.00 0.31 0.00 0.00 61.69 61.80 2k0r s THR 98 Cb -0.12 -0.87 -0.02 0.00 0.01 0.00 0.00 72.50 71.50 2k0r s THR 98 CO 0.02 0.32 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.79 2k0r s TYR 99 N 1.31 2.68 -0.22 4.92 2.02 -0.39 -0.03 117.35 127.66 2k0r s TYR 99 Ca -0.03 -0.53 -0.10 0.00 -0.37 0.00 0.00 57.07 56.04 2k0r s TYR 99 Cb -0.14 -1.71 0.09 0.00 -0.40 0.00 0.00 41.96 39.79 2k0r s TYR 99 CO -0.03 -0.10 0.50 -1.14 -1.57 0.00 0.00 175.55 173.21 2k0r s GLN 100 N -0.11 0.45 0.00 -0.62 -0.44 -1.26 -0.61 119.66 117.07 2k0r s GLN 100 Ca -0.03 1.06 0.00 0.00 -2.50 0.00 0.00 55.36 53.89 2k0r s GLN 100 Cb -0.14 0.27 0.00 0.00 -1.64 0.00 0.00 33.01 31.50 2k0r s GLN 100 CO 0.04 -0.20 0.00 0.41 0.50 0.00 0.00 175.29 176.04 2k0r n GLY 101 N 4.87 3.02 3.30 2.59 0.00 -1.26 -3.25 105.19 114.46 2k0r n GLY 101 Ca -0.16 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 2k0r n GLY 101 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k0r s SER 102 N 2.00 0.11 0.08 1.61 0.15 -0.11 -3.80 113.70 113.75 2k0r s SER 102 Ca 0.00 -1.05 -0.20 0.00 0.70 0.00 0.00 55.95 55.39 2k0r s SER 102 Cb 0.00 0.41 -0.07 0.00 -1.71 0.00 0.00 66.02 64.65 2k0r s SER 102 CO 0.00 -0.88 0.61 0.00 1.20 0.00 0.00 173.24 174.17 2k0r s ALA 103 N -4.03 3.56 0.65 5.45 0.00 0.89 -0.85 121.76 127.43 2k0r s ALA 103 Ca 0.23 0.09 0.38 0.00 0.00 0.00 0.00 51.96 52.66 2k0r s ALA 103 Cb 0.04 -2.70 2.09 0.00 0.00 0.00 0.00 23.12 22.55 2k0r s ALA 103 CO 0.04 0.37 2.22 1.49 0.00 0.00 0.00 175.76 179.88 2k0r h GLU 104 N 4.57 0.00 0.00 0.00 4.22 -1.30 0.71 114.58 122.78 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 0.64 0.00 -0.64 0.00 -2.18 0.00 0.00 179.01 176.83 2k0r h ALA 105 N 1.81 0.85 0.00 2.92 0.00 -1.90 -3.47 119.26 119.47 2k0r h ALA 105 Ca 0.01 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2k0r h ALA 105 Cb 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2k0r h ALA 105 CO -0.00 0.80 0.00 0.41 0.00 0.00 0.00 179.25 180.46 2k0r n GLY 106 N 0.50 0.86 3.24 0.00 0.00 0.23 -5.15 105.19 104.88 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 -0.92 1.68 -0.18 1.61 1.01 -1.18 -4.94 120.40 117.48 2k0r s VAL 107 Ca 0.00 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 60.92 2k0r s VAL 107 Cb 0.00 -1.43 0.03 0.00 0.00 0.00 0.00 36.38 34.97 2k0r s VAL 107 CO 0.00 0.33 -0.17 0.00 0.00 0.00 0.00 175.10 175.25 2k0r s TYR 109 N 1.31 2.72 0.75 0.00 1.13 -1.25 -5.06 117.35 116.95 2k0r s TYR 109 Ca 0.03 -0.21 -0.12 0.00 -1.41 0.00 0.00 57.07 55.36 2k0r s TYR 109 Cb -0.14 -1.21 0.04 0.00 -1.10 0.00 0.00 41.96 39.55 2k0r s TYR 109 CO -0.11 0.61 1.10 -1.25 -2.51 0.00 0.00 175.55 173.38 2k0r s PRO 110 N -3.62 2.37 0.59 -3.49 0.04 -1.26 -4.61 135.00 125.01 2k0r s PRO 110 Ca 0.31 1.22 -0.18 0.00 0.04 0.00 0.00 61.00 62.40 2k0r s PRO 110 Cb -0.07 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2k0r s PRO 110 CO 0.20 -1.56 1.12 -1.25 0.04 0.00 0.00 177.00 175.55 2k0r s PRO 111 N -4.71 3.15 -0.20 0.56 0.04 -1.26 -4.84 135.00 127.73 2k0r s PRO 111 Ca 0.63 1.53 0.01 0.00 0.04 0.00 0.00 61.00 63.20 2k0r s PRO 111 Cb -0.18 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.42 2k0r s PRO 111 CO 0.53 -0.99 -0.07 0.08 0.04 0.00 0.00 177.00 176.58 2k0r s VAL 112 N -1.99 1.49 -0.14 -0.36 1.01 0.22 -4.99 120.40 115.65 2k0r s VAL 112 Ca 0.71 -1.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.61 2k0r s VAL 112 Cb -0.23 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 2k0r s VAL 112 CO 0.32 0.06 0.12 1.51 0.00 0.00 0.00 175.10 177.12 2k0r s ASP 113 N 1.45 6.21 -0.09 3.32 -4.77 -1.26 -1.26 116.67 120.27 2k0r s ASP 113 Ca -0.02 0.37 -0.04 0.00 -3.30 0.00 0.00 52.55 49.55 2k0r s ASP 113 Cb -0.17 -2.02 0.04 0.00 -1.09 0.00 0.00 42.92 39.69 2k0r s ASP 113 CO -0.07 0.35 0.20 0.42 0.70 0.00 0.00 175.17 176.76 2k0r s THR 114 N -0.65 -0.04 -0.05 2.11 -4.23 0.92 -5.00 115.64 108.69 2k0r s THR 114 Ca 0.13 0.16 -0.02 0.00 -1.18 0.00 0.00 61.69 60.78 2k0r s THR 114 Cb -0.12 -0.32 -0.04 0.00 1.34 0.00 0.00 72.50 73.37 2k0r s THR 114 CO 0.02 0.07 0.05 -1.61 -0.54 0.00 0.00 174.62 172.61 2k0r s GLU 115 N 1.20 3.06 -0.09 3.99 8.01 -1.26 -0.21 118.70 133.40 2k0r s GLU 115 Ca -0.09 -0.42 0.02 0.00 0.01 0.00 0.00 54.97 54.48 2k0r s GLU 115 Cb -0.11 -2.86 0.01 0.00 -4.31 0.00 0.00 34.13 26.86 2k0r s GLU 115 CO -0.07 0.68 -0.14 -0.06 0.01 0.00 0.00 175.26 175.67 2k0r s PHE 116 N -1.06 1.81 -0.26 1.61 0.08 0.13 -4.97 117.98 115.32 2k0r s PHE 116 Ca 0.18 -0.79 -0.23 0.00 0.12 0.00 0.00 56.93 56.21 2k0r s PHE 116 Cb -0.12 -1.31 -0.01 0.00 -0.57 0.00 0.00 43.02 41.01 2k0r s PHE 116 CO 0.08 -0.40 0.75 -0.51 -0.10 0.00 0.00 175.22 175.04 2k0r s ASP 117 N 0.87 6.70 -0.23 1.36 1.11 -1.26 -0.72 116.67 124.50 2k0r s ASP 117 Ca -0.10 0.82 -0.09 0.00 0.18 0.00 0.00 52.55 53.37 2k0r s ASP 117 Cb -0.15 -2.39 -0.04 0.00 1.07 0.00 0.00 42.92 41.40 2k0r s ASP 117 CO 0.01 -0.49 0.12 -0.63 1.18 0.00 0.00 175.17 175.35 2k0r s ILE 118 N 2.75 4.99 0.00 0.77 -1.09 -0.57 -4.92 121.20 123.13 2k0r s ILE 118 Ca 0.31 0.05 0.08 0.00 -2.23 0.00 0.00 60.65 58.86 2k0r s ILE 118 Cb -0.15 -3.31 0.13 0.00 -1.58 0.00 0.00 42.46 37.55 2k0r s ILE 118 CO 0.09 0.37 1.05 2.22 -1.23 0.00 0.00 174.94 177.44 2k0r n PHE 119 N 4.23 0.00 -0.26 3.97 1.16 -1.26 -1.81 117.46 123.49 2k0r n PHE 119 Ca -0.16 -0.50 0.00 0.00 -1.87 0.00 0.00 57.45 54.93 2k0r n PHE 119 Cb 0.52 0.31 0.00 0.00 -1.61 0.00 0.00 39.48 38.70 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 0.15 -0.18 0.02 4.97 0.00 -1.26 -4.99 105.19 103.88 2k0r n GLY 120 Ca -0.18 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 2.85 -1.26 -5.08 115.26 113.38 2k0r n ASN 121 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2k0r n ASN 121 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 2k0r n ASN 121 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k0r n GLY 122 N -0.64 1.91 3.75 8.20 0.00 -1.26 -4.97 105.19 112.19 2k0r n GLY 122 Ca 0.00 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 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 5.11 0.03 2.61 2.01 -1.26 -1.09 115.64 123.05 2k0r s THR 123 Ca 0.00 0.98 0.01 0.00 0.31 0.00 0.00 61.69 62.99 2k0r s THR 123 Cb 0.00 -3.82 -0.02 0.00 0.01 0.00 0.00 72.50 68.67 2k0r s THR 123 CO 0.00 0.39 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.96 2k0r s TYR 124 N 0.14 0.48 0.03 4.92 1.51 -1.18 -4.98 117.35 118.26 2k0r s TYR 124 Ca 0.26 -0.45 -0.09 0.00 -1.01 0.00 0.00 57.07 55.78 2k0r s TYR 124 Cb -0.16 -0.30 0.00 0.00 -0.11 0.00 0.00 41.96 41.39 2k0r s TYR 124 CO 0.12 -0.11 0.19 -1.01 -1.11 0.00 0.00 175.55 173.63 2k0r s HIS 125 N -1.24 0.03 0.42 2.71 3.76 -1.26 -2.70 115.29 117.01 2k0r s HIS 125 Ca -0.11 -0.19 -0.25 0.00 -0.15 0.00 0.00 55.06 54.36 2k0r s HIS 125 Cb -0.09 -0.02 -0.08 0.00 1.11 0.00 0.00 32.58 33.50 2k0r s HIS 125 CO -0.00 -0.39 1.18 -1.25 -0.85 0.00 0.00 174.74 173.43 2k0r s PRO 126 N -2.19 3.96 -0.61 8.40 0.04 -1.26 -4.96 135.00 138.37 2k0r s PRO 126 Ca -0.08 1.85 0.01 0.00 0.04 0.00 0.00 61.00 62.82 2k0r s PRO 126 Cb -0.03 -2.60 0.42 0.00 0.04 0.00 0.00 34.50 32.33 2k0r s PRO 126 CO -0.02 -0.41 1.75 1.04 0.04 0.00 0.00 177.00 179.41 2k0r n GLN 127 N -0.09 2.98 0.00 4.56 6.02 -1.26 -5.20 117.38 124.39 2k0r n GLN 127 Ca 0.05 -3.67 0.01 0.00 -0.01 0.00 0.00 57.00 53.38 2k0r n GLN 127 Cb 0.47 -2.28 0.06 0.00 1.02 0.00 0.00 30.24 29.50 2k0r n GLN 127 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46