#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 -1.29 -2.25 3.04 0.00 -1.26 -3.82 120.51 114.93 2k0r n ALA 2 Ca 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 53.44 52.92 2k0r n ALA 2 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.39 2k0r n ALA 2 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k0r n LEU 3 N 0.00 -5.74 -1.28 0.00 0.00 -1.26 -4.29 117.00 104.44 2k0r n LEU 3 Ca 0.05 2.22 -0.17 0.00 0.00 0.00 0.00 56.01 58.11 2k0r n LEU 3 Cb 0.19 -2.91 -0.07 0.00 0.00 0.00 0.00 43.42 40.62 2k0r n LEU 3 CO 0.13 -2.87 -0.16 -0.67 0.00 0.00 0.00 177.39 173.81 2k0r n ASP 4 N 1.50 -5.15 -3.66 1.96 -0.08 -1.26 -4.90 116.55 104.97 2k0r n ASP 4 Ca -0.15 0.41 0.00 0.00 -1.51 0.00 0.00 54.79 53.54 2k0r n ASP 4 Cb 0.24 -4.12 -0.01 0.00 2.34 0.00 0.00 41.12 39.57 2k0r n ASP 4 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k0r s ALA 5 N -2.57 -2.07 0.51 -1.67 0.00 -1.26 -3.46 121.76 111.23 2k0r s ALA 5 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.43 2k0r s ALA 5 Cb 0.00 0.47 0.00 0.00 0.00 0.00 0.00 23.12 23.59 2k0r s ALA 5 CO 0.00 -1.06 0.00 -1.71 0.00 0.00 0.00 175.76 172.99 2k0r n ASN 6 N -0.54 -6.52 -0.31 0.00 5.15 -1.25 -4.29 115.26 107.50 2k0r n ASN 6 Ca -0.07 1.28 0.04 0.00 -0.60 0.00 0.00 54.58 55.23 2k0r n ASN 6 Cb 0.62 -4.05 0.15 0.00 -0.53 0.00 0.00 39.78 35.97 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 -3.59 0.90 0.19 1.20 5.75 -1.26 -3.86 116.55 115.89 2k0r n ASP 7 Ca -0.06 -1.91 0.14 0.00 -0.01 0.00 0.00 54.79 52.95 2k0r n ASP 7 Cb 0.53 -0.10 0.65 0.00 -1.03 0.00 0.00 41.12 41.17 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 1.02 0.00 -9.73 -2.12 4.07 -1.95 -3.43 115.31 103.17 2k0r h LEU 8 Ca 0.00 0.00 -0.54 0.00 0.08 0.00 0.00 57.88 57.42 2k0r h LEU 8 Cb 0.23 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.90 2k0r h LEU 8 CO 0.00 0.00 -0.58 -1.48 -1.08 0.00 0.00 178.44 175.30 2k0r s LEU 9 N -4.99 3.58 0.66 1.67 0.05 -1.25 -5.04 118.68 113.37 2k0r s LEU 9 Ca 0.00 -0.35 -0.15 0.00 0.05 0.00 0.00 54.13 53.69 2k0r s LEU 9 Cb 0.09 -2.15 0.00 0.00 -2.05 0.00 0.00 46.19 42.08 2k0r s LEU 9 CO 0.36 0.01 1.11 -2.16 -0.55 0.00 0.00 176.35 175.12 2k0r s PRO 10 N -3.53 2.79 0.00 1.48 0.04 -1.26 -4.88 135.00 129.65 2k0r s PRO 10 Ca 0.31 1.38 0.14 0.00 0.04 0.00 0.00 61.00 62.88 2k0r s PRO 10 Cb -0.08 -1.95 0.66 0.00 0.04 0.00 0.00 34.50 33.16 2k0r s PRO 10 CO 0.22 -1.25 1.43 -0.35 0.04 0.00 0.00 177.00 177.09 2k0r n PRO 11 N -2.44 0.08 0.06 0.56 -0.04 -1.26 -1.59 135.00 130.37 2k0r n PRO 11 Ca 0.10 0.22 -0.19 0.00 -0.04 0.00 0.00 63.50 63.58 2k0r n PRO 11 Cb 0.52 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 2k0r n PRO 11 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k0r h GLU 12 N 0.00 0.61 -0.00 0.54 5.08 -1.93 -3.31 114.58 115.57 2k0r h GLU 12 Ca 0.00 -0.71 0.00 0.00 -1.00 0.00 0.00 59.36 57.65 2k0r h GLU 12 Cb 0.20 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2k0r h GLU 12 CO 0.00 1.30 -0.78 0.36 -1.00 0.00 0.00 179.01 178.89 2k0r n LYS 13 N -3.80 0.82 0.25 2.33 -0.00 -1.11 -4.27 118.16 112.39 2k0r n LYS 13 Ca -0.11 -0.26 0.13 0.00 -0.00 0.00 0.00 58.31 58.08 2k0r n LYS 13 Cb 0.91 -1.41 0.63 0.00 -0.00 0.00 0.00 35.03 35.16 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 2.95 1.09 -3.55 0.58 0.00 -1.38 -3.42 119.26 115.53 2k0r h ALA 14 Ca 0.00 -0.12 -0.67 0.00 0.00 0.00 0.00 54.91 54.12 2k0r h ALA 14 Cb 0.52 -0.02 -0.29 0.00 0.00 0.00 0.00 17.79 18.00 2k0r h ALA 14 CO 0.00 0.17 -0.82 -0.06 0.00 0.00 0.00 179.25 178.54 2k0r s PHE 15 N -3.83 2.67 -0.66 0.00 0.08 -1.25 0.02 117.98 114.99 2k0r s PHE 15 Ca -0.01 -0.69 0.05 0.00 0.12 0.00 0.00 56.93 56.40 2k0r s PHE 15 Cb 0.11 -1.74 0.17 0.00 -0.57 0.00 0.00 43.02 40.99 2k0r s PHE 15 CO 0.59 -0.21 0.46 0.08 -0.10 0.00 0.00 175.22 176.04 2k0r s VAL 16 N 0.11 2.56 0.36 -0.44 1.01 0.68 -4.91 120.40 119.76 2k0r s VAL 16 Ca -0.09 -4.02 -0.27 0.00 0.00 0.00 0.00 61.98 57.61 2k0r s VAL 16 Cb -0.15 -2.69 -0.09 0.00 0.00 0.00 0.00 36.38 33.45 2k0r s VAL 16 CO 0.05 -1.02 1.20 -2.16 0.00 0.00 0.00 175.10 173.18 2k0r s PRO 17 N -1.19 4.23 -0.03 2.72 0.04 -1.26 -1.65 135.00 137.85 2k0r s PRO 17 Ca 0.25 1.96 -0.01 0.00 0.04 0.00 0.00 61.00 63.24 2k0r s PRO 17 Cb -0.05 -2.88 0.03 0.00 0.04 0.00 0.00 34.50 31.64 2k0r s PRO 17 CO -0.16 -0.20 0.06 -2.00 0.04 0.00 0.00 177.00 174.74 2k0r s GLU 18 N -2.01 0.01 0.02 4.56 2.12 0.13 -4.90 118.70 118.63 2k0r s GLU 18 Ca 0.53 0.22 0.00 0.00 0.36 0.00 0.00 54.97 56.08 2k0r s GLU 18 Cb -0.34 -0.20 -0.04 0.00 0.26 0.00 0.00 34.13 33.81 2k0r s GLU 18 CO 0.44 -0.15 0.10 -1.17 -0.54 0.00 0.00 175.26 173.94 2k0r s LEU 19 N 0.97 3.94 -0.26 2.70 1.98 -1.06 -0.75 118.68 126.19 2k0r s LEU 19 Ca -0.08 0.13 -0.01 0.00 -2.89 0.00 0.00 54.13 51.28 2k0r s LEU 19 Cb -0.11 -2.41 0.14 0.00 0.66 0.00 0.00 46.19 44.47 2k0r s LEU 19 CO -0.03 0.24 0.35 0.00 -1.89 0.00 0.00 176.35 175.02 2k0r s ALA 20 N -1.28 -0.91 0.22 5.97 0.00 0.13 -3.18 121.76 122.71 2k0r s ALA 20 Ca 0.26 0.36 -0.30 0.00 0.00 0.00 0.00 51.96 52.28 2k0r s ALA 20 Cb -0.12 -1.80 -0.09 0.00 0.00 0.00 0.00 23.12 21.12 2k0r s ALA 20 CO 0.18 -1.51 1.12 0.08 0.00 0.00 0.00 175.76 175.62 2k0r s VAL 21 N 2.48 3.65 0.38 0.00 1.01 -0.29 -0.24 120.40 127.38 2k0r s VAL 21 Ca 0.10 1.51 0.00 0.00 0.00 0.00 0.00 61.98 63.60 2k0r s VAL 21 Cb -0.14 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.28 2k0r s VAL 21 CO -0.24 0.30 0.03 0.00 0.00 0.00 0.00 175.10 175.19 2k0r n ALA 22 N 1.87 0.35 0.08 5.51 0.00 0.11 -4.80 120.51 123.63 2k0r n ALA 22 Ca 0.01 -1.68 0.09 0.00 0.00 0.00 0.00 53.44 51.87 2k0r n ALA 22 Cb 0.45 0.90 -0.04 0.00 0.00 0.00 0.00 19.45 20.76 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 -1.29 0.75 -0.18 0.00 2.03 -1.26 -4.06 116.55 112.54 2k0r n ASP 23 Ca -0.14 0.30 0.06 0.00 0.52 0.00 0.00 54.79 55.53 2k0r n ASP 23 Cb 0.47 0.57 0.11 0.00 -0.72 0.00 0.00 41.12 41.55 2k0r n ASP 23 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2k0r n ASP 24 N -2.67 2.45 0.00 1.67 9.92 -1.26 -5.05 116.55 121.60 2k0r n ASP 24 Ca -0.03 -2.65 0.00 0.00 -0.53 0.00 0.00 54.79 51.58 2k0r n ASP 24 Cb 0.61 -0.29 0.00 0.00 -0.64 0.00 0.00 41.12 40.81 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 -0.89 0.01 3.25 0.44 0.00 -1.26 -3.11 105.19 103.64 2k0r n GLY 25 Ca 0.11 -1.38 -0.20 0.00 0.00 0.00 0.00 46.02 44.55 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 -3.01 1.45 -0.08 1.61 1.01 -0.15 0.06 120.40 121.28 2k0r s VAL 26 Ca 0.00 -1.64 -0.00 0.00 0.00 0.00 0.00 61.98 60.34 2k0r s VAL 26 Cb 0.00 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.90 2k0r s VAL 26 CO 0.00 -0.29 -0.04 0.20 0.00 0.00 0.00 175.10 174.96 2k0r s ASN 27 N -2.24 1.73 -0.09 3.32 -0.87 0.67 -0.07 114.94 117.38 2k0r s ASN 27 Ca 0.07 -0.19 0.02 0.00 -1.57 0.00 0.00 52.86 51.19 2k0r s ASN 27 Cb -0.07 -0.62 0.01 0.00 -0.02 0.00 0.00 41.25 40.55 2k0r s ASN 27 CO 0.04 -0.13 -0.15 0.54 -2.57 0.00 0.00 177.10 174.83 2k0r s VAL 28 N 1.62 1.40 -0.07 1.60 0.11 -0.69 0.17 120.40 124.54 2k0r s VAL 28 Ca 0.01 -0.60 0.02 0.00 -2.93 0.00 0.00 61.98 58.48 2k0r s VAL 28 Cb -0.13 -1.27 0.01 0.00 -1.53 0.00 0.00 36.38 33.46 2k0r s VAL 28 CO -0.05 0.42 -0.12 -0.60 -3.33 0.00 0.00 175.10 171.42 2k0r s ARG 29 N 0.84 1.68 -0.15 1.54 3.00 0.07 -0.08 118.95 125.86 2k0r s ARG 29 Ca -0.10 -0.40 0.02 0.00 -1.00 0.00 0.00 55.73 54.25 2k0r s ARG 29 Cb -0.15 -1.40 0.01 0.00 0.00 0.00 0.00 34.95 33.41 2k0r s ARG 29 CO 0.01 0.02 -0.21 -0.59 0.00 0.00 0.00 175.30 174.53 2k0r s PHE 30 N 0.69 2.66 -0.36 5.12 -0.71 -0.36 0.19 117.98 125.21 2k0r s PHE 30 Ca -0.14 -1.39 -0.22 0.00 -1.04 0.00 0.00 56.93 54.15 2k0r s PHE 30 Cb -0.16 -1.82 0.01 0.00 -1.21 0.00 0.00 43.02 39.84 2k0r s PHE 30 CO 0.03 -0.64 0.70 1.03 -1.34 0.00 0.00 175.22 175.00 2k0r s ARG 31 N 0.91 3.73 0.02 1.99 0.52 -0.66 -3.20 118.95 122.26 2k0r s ARG 31 Ca -0.05 0.19 -0.06 0.00 -0.52 0.00 0.00 55.73 55.30 2k0r s ARG 31 Cb -0.15 -3.80 -0.05 0.00 0.52 0.00 0.00 34.95 31.47 2k0r s ARG 31 CO -0.04 -0.78 0.27 0.42 0.02 0.00 0.00 175.30 175.20 2k0r s ILE 32 N 2.88 5.30 0.49 1.52 1.01 0.11 -0.23 121.20 132.27 2k0r s ILE 32 Ca 0.28 0.11 -0.23 0.00 0.00 0.00 0.00 60.65 60.81 2k0r s ILE 32 Cb -0.14 -3.58 -0.06 0.00 0.01 0.00 0.00 42.46 38.69 2k0r s ILE 32 CO 0.15 0.32 1.30 0.00 0.00 0.00 0.00 174.94 176.71 2k0r s ALA 33 N -1.35 2.97 0.67 9.38 0.00 0.10 -4.14 121.76 129.39 2k0r s ALA 33 Ca 0.29 1.21 0.41 0.00 0.00 0.00 0.00 51.96 53.87 2k0r s ALA 33 Cb -0.13 -3.50 2.23 0.00 0.00 0.00 0.00 23.12 21.72 2k0r s ALA 33 CO 0.18 -1.06 2.26 0.22 0.00 0.00 0.00 175.76 177.36 2k0r h ASP 34 N 1.90 0.00 -0.23 0.00 1.82 -1.71 0.20 116.42 118.40 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 1.27 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.28 2k0r h ASP 34 CO 0.59 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.83 2k0r n GLY 35 N -1.12 0.43 3.29 -0.78 0.00 -1.26 -4.54 105.19 101.21 2k0r n GLY 35 Ca -0.03 -0.42 -0.16 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.70 1.42 -0.21 1.61 2.02 0.69 -0.85 117.35 120.32 2k0r s TYR 36 Ca 0.30 -0.96 -0.12 0.00 -0.37 0.00 0.00 57.07 55.92 2k0r s TYR 36 Cb 0.16 -0.81 0.07 0.00 -0.40 0.00 0.00 41.96 40.98 2k0r s TYR 36 CO 0.23 -0.11 0.53 1.52 -1.57 0.00 0.00 175.55 176.15 2k0r s TYR 37 N -3.51 -0.79 -0.13 2.71 1.13 0.47 -4.61 117.35 112.62 2k0r s TYR 37 Ca 0.26 1.63 -0.01 0.00 -1.41 0.00 0.00 57.07 57.55 2k0r s TYR 37 Cb 0.06 0.42 -0.02 0.00 -1.10 0.00 0.00 41.96 41.31 2k0r s TYR 37 CO 0.07 -0.42 -0.10 -1.64 -2.51 0.00 0.00 175.55 170.95 2k0r s MET 38 N 1.47 3.38 -0.04 -3.49 -1.94 -1.03 -0.57 119.30 117.08 2k0r s MET 38 Ca -0.10 -0.63 -0.30 0.00 -1.71 0.00 0.00 55.69 52.96 2k0r s MET 38 Cb -0.07 -2.70 -0.05 0.00 2.01 0.00 0.00 34.83 34.02 2k0r s MET 38 CO -0.15 0.28 1.52 0.71 -0.01 0.00 0.00 175.02 177.36 2k0r s TYR 39 N 0.22 2.42 0.44 -0.03 2.02 -1.20 -1.32 117.35 119.89 2k0r s TYR 39 Ca -0.06 0.51 0.21 0.00 -0.37 0.00 0.00 57.07 57.36 2k0r s TYR 39 Cb -0.15 -3.79 1.18 0.00 -0.40 0.00 0.00 41.96 38.81 2k0r s TYR 39 CO 0.04 -3.13 1.82 0.37 -1.57 0.00 0.00 175.55 173.09 2k0r h GLN 40 N 8.68 0.30 -0.11 -0.62 4.15 -0.82 0.44 115.11 127.14 2k0r h GLN 40 Ca -0.37 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 58.90 2k0r h GLN 40 Cb 1.17 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.78 2k0r h GLN 40 CO 0.94 0.20 -0.48 0.00 -1.93 0.00 0.00 178.83 177.56 2k0r h ALA 41 N 1.59 0.99 0.00 3.38 0.00 -1.90 -2.88 119.26 120.44 2k0r h ALA 41 Ca 0.52 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2k0r h ALA 41 Cb 1.46 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 2k0r h ALA 41 CO -0.18 0.64 -0.45 0.87 0.00 0.00 0.00 179.25 180.14 2k0r h LYS 42 N 0.21 0.00 -6.94 0.00 6.56 -0.46 -3.45 116.57 112.49 2k0r h LYS 42 Ca 0.01 0.00 -0.54 0.00 -1.06 0.00 0.00 60.65 59.07 2k0r h LYS 42 Cb 0.93 0.00 0.10 0.00 -0.57 0.00 0.00 32.23 32.69 2k0r h LYS 42 CO 0.08 0.45 0.73 0.42 -2.06 0.00 0.00 179.45 179.06 2k0r s ILE 43 N -3.34 2.23 -0.01 1.86 -1.09 -0.59 -4.51 121.20 115.75 2k0r s ILE 43 Ca 0.01 0.22 -0.01 0.00 -2.23 0.00 0.00 60.65 58.65 2k0r s ILE 43 Cb 0.10 -3.14 0.00 0.00 -1.58 0.00 0.00 42.46 37.84 2k0r s ILE 43 CO 0.71 0.05 0.02 -0.69 -1.23 0.00 0.00 174.94 173.80 2k0r s VAL 44 N -1.15 0.01 -0.30 2.92 1.01 0.62 -4.95 120.40 118.55 2k0r s VAL 44 Ca 0.53 -0.05 -0.09 0.00 0.00 0.00 0.00 61.98 62.37 2k0r s VAL 44 Cb -0.44 -0.05 0.16 0.00 0.00 0.00 0.00 36.38 36.04 2k0r s VAL 44 CO 0.59 -0.03 0.74 -0.83 0.00 0.00 0.00 175.10 175.58 2k0r s GLY 45 N -0.08 -0.65 -0.01 4.51 0.00 -1.25 -0.19 107.32 109.66 2k0r s GLY 45 Ca -0.01 2.41 0.00 0.00 0.00 0.00 0.00 44.72 47.12 2k0r s GLY 45 CO -0.00 3.25 -0.00 1.25 0.00 0.00 0.00 173.10 177.60 2k0r s LYS 46 N 2.80 0.08 -0.04 2.90 2.36 -0.27 -4.66 119.74 122.91 2k0r s LYS 46 Ca 0.02 0.02 -0.01 0.00 -2.55 0.00 0.00 55.97 53.45 2k0r s LYS 46 Cb -0.11 -0.15 0.03 0.00 -1.05 0.00 0.00 37.83 36.55 2k0r s LYS 46 CO -0.19 -0.03 0.05 -0.08 1.55 0.00 0.00 175.35 176.66 2k0r s THR 47 N 0.29 -0.09 -0.24 3.43 -1.32 -1.26 -0.04 115.64 116.41 2k0r s THR 47 Ca -0.02 0.37 -0.34 0.00 -1.21 0.00 0.00 61.69 60.48 2k0r s THR 47 Cb -0.04 -0.14 0.16 0.00 -1.51 0.00 0.00 72.50 70.97 2k0r s THR 47 CO -0.01 0.16 1.27 0.54 -2.21 0.00 0.00 174.62 174.37 2k0r s ASN 48 N 1.89 -0.10 0.30 8.08 2.20 -0.14 -4.60 114.94 122.57 2k0r s ASN 48 Ca 0.01 0.03 0.25 0.00 -0.94 0.00 0.00 52.86 52.22 2k0r s ASN 48 Cb -0.12 0.09 1.05 0.00 -2.00 0.00 0.00 41.25 40.27 2k0r s ASN 48 CO -0.03 -0.14 1.75 1.55 -2.94 0.00 0.00 177.10 177.29 2k0r h PRO 49 N 2.05 0.00 0.00 3.55 0.13 -1.84 -1.96 132.00 133.93 2k0r h PRO 49 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2k0r h PRO 49 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2k0r h PRO 49 CO 0.22 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.99 2k0r n ALA 50 N -1.82 0.00 0.00 -0.56 0.00 -1.26 -4.81 120.51 112.06 2k0r n ALA 50 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2k0r n ALA 50 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 2k0r n ALA 50 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2k0r n ASP 51 N -2.98 0.00 -0.07 0.00 5.68 -1.26 -5.01 116.55 112.90 2k0r n ASP 51 Ca 0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.25 2k0r n ASP 51 Cb 0.00 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 39.82 2k0r n ASP 51 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2k0r n LEU 52 N 0.00 0.00 -4.56 -2.12 -0.00 -1.26 -4.99 117.00 104.07 2k0r n LEU 52 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.59 2k0r n LEU 52 Cb 0.00 0.34 0.01 0.00 -0.00 0.00 0.00 43.42 43.76 2k0r n LEU 52 CO 0.00 0.34 0.44 -0.11 -0.00 0.00 0.00 177.39 178.06 2k0r n LEU 53 N -2.58 1.76 0.00 1.47 7.94 -1.26 -3.85 117.00 120.47 2k0r n LEU 53 Ca -0.24 1.03 0.00 0.00 -1.11 0.00 0.00 56.01 55.69 2k0r n LEU 53 Cb 0.96 -1.27 0.00 0.00 0.53 0.00 0.00 43.42 43.64 2k0r n LEU 53 CO 0.43 -1.85 0.00 0.61 -1.11 0.00 0.00 177.39 175.47 2k0r n GLY 54 N 1.36 -0.94 3.07 -3.96 0.00 -1.08 -4.76 105.19 98.87 2k0r n GLY 54 Ca 0.10 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 0.54 0.47 1.61 -2.07 -1.26 -5.02 119.66 113.93 2k0r s GLN 55 Ca 0.00 -1.04 -0.22 0.00 -1.82 0.00 0.00 55.36 52.28 2k0r s GLN 55 Cb 0.00 0.19 -0.07 0.00 -1.09 0.00 0.00 33.01 32.04 2k0r s GLN 55 CO 0.00 -0.10 1.16 -1.25 -1.32 0.00 0.00 175.29 173.78 2k0r s PRO 56 N -3.25 3.70 -0.41 9.60 0.04 -1.26 -4.26 135.00 139.16 2k0r s PRO 56 Ca 0.01 1.75 0.02 0.00 0.04 0.00 0.00 61.00 62.82 2k0r s PRO 56 Cb 0.03 -2.35 0.12 0.00 0.04 0.00 0.00 34.50 32.34 2k0r s PRO 56 CO -0.08 -0.59 0.18 0.45 0.04 0.00 0.00 177.00 177.00 2k0r s SER 57 N -1.42 4.14 0.71 6.66 0.15 0.92 -4.91 113.70 119.95 2k0r s SER 57 Ca 0.65 -2.44 -0.15 0.00 0.70 0.00 0.00 55.95 54.70 2k0r s SER 57 Cb -0.28 -1.29 0.03 0.00 -1.71 0.00 0.00 66.02 62.76 2k0r s SER 57 CO 0.34 -0.31 1.19 -0.36 1.20 0.00 0.00 173.24 175.29 2k0r s PHE 58 N 0.53 2.19 -2.02 3.44 0.08 -1.26 -0.00 117.98 120.94 2k0r s PHE 58 Ca 0.15 1.59 0.31 0.00 0.12 0.00 0.00 56.93 59.09 2k0r s PHE 58 Cb -0.22 -3.41 1.79 0.00 -0.57 0.00 0.00 43.02 40.61 2k0r s PHE 58 CO -0.06 -2.39 2.16 0.45 -0.10 0.00 0.00 175.22 175.28 2k0r n SER 59 N -2.58 0.07 -1.38 1.36 2.88 0.11 -4.87 113.62 109.21 2k0r n SER 59 Ca 0.13 -1.06 0.00 0.00 -1.33 0.00 0.00 58.87 56.60 2k0r n SER 59 Cb 0.51 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 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 -0.93 -3.68 0.00 -1.46 0.00 -1.26 -4.99 118.16 105.85 2k0r n LYS 60 Ca 0.23 2.69 0.00 0.00 0.00 0.00 0.00 58.31 61.23 2k0r n LYS 60 Cb 0.12 -2.88 0.00 0.00 0.00 0.00 0.00 35.03 32.27 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 0.59 1.99 3.19 3.14 0.00 -1.26 -5.04 105.19 107.79 2k0r n GLY 61 Ca 0.00 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 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 4.04 2.09 -0.09 1.61 2.02 -0.52 -4.89 118.70 122.95 2k0r s GLU 62 Ca 0.00 -0.73 -0.30 0.00 0.02 0.00 0.00 54.97 53.97 2k0r s GLU 62 Cb 0.00 -1.79 -0.02 0.00 0.10 0.00 0.00 34.13 32.42 2k0r s GLU 62 CO 0.00 0.30 1.04 -2.00 0.02 0.00 0.00 175.26 174.62 2k0r s GLU 63 N -0.05 4.42 0.06 1.61 2.12 -1.26 0.04 118.70 125.64 2k0r s GLU 63 Ca -0.04 1.44 0.05 0.00 0.36 0.00 0.00 54.97 56.78 2k0r s GLU 63 Cb -0.12 -3.53 -0.03 0.00 0.26 0.00 0.00 34.13 30.71 2k0r s GLU 63 CO 0.03 -0.31 -0.14 0.21 -0.54 0.00 0.00 175.26 174.51 2k0r s LYS 64 N 1.94 0.82 -0.12 4.30 2.36 0.60 -4.94 119.74 124.69 2k0r s LYS 64 Ca 0.50 -0.89 -0.00 0.00 -2.55 0.00 0.00 55.97 53.03 2k0r s LYS 64 Cb -0.20 -0.81 -0.02 0.00 -1.05 0.00 0.00 37.83 35.76 2k0r s LYS 64 CO 0.20 0.18 -0.12 -2.00 1.55 0.00 0.00 175.35 175.16 2k0r s GLU 65 N -1.58 3.33 0.00 4.03 2.12 -1.25 -1.35 118.70 124.00 2k0r s GLU 65 Ca -0.02 -0.67 0.00 0.00 0.36 0.00 0.00 54.97 54.64 2k0r s GLU 65 Cb -0.09 -2.64 0.00 0.00 0.26 0.00 0.00 34.13 31.66 2k0r s GLU 65 CO 0.02 0.26 0.00 -3.47 -0.54 0.00 0.00 175.26 171.53 2k0r n ASP 66 N 3.39 0.00 -0.11 -1.70 2.03 -0.00 -4.93 116.55 115.24 2k0r n ASP 66 Ca -0.18 -0.77 0.06 0.00 0.52 0.00 0.00 54.79 54.42 2k0r n ASP 66 Cb 0.53 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.88 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 2.69 0.00 -0.67 0.28 -1.26 -2.38 120.64 119.30 2k0r n GLU 67 Ca 0.00 -0.26 0.15 0.00 -0.16 0.00 0.00 57.16 56.89 2k0r n GLU 67 Cb 0.00 -1.09 0.75 0.00 1.43 0.00 0.00 31.44 32.53 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 -0.87 0.00 0.00 -1.84 3.01 -1.26 -4.59 117.46 111.91 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 0.21 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 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 -0.60 0.00 0.00 1.38 -1.74 -1.26 -5.16 117.46 110.07 2k0r n PHE 69 Ca 0.21 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.10 2k0r n PHE 69 Cb 0.22 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.22 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 -0.32 0.31 3.32 4.97 0.00 -1.00 -4.90 105.19 107.57 2k0r n GLY 70 Ca 0.00 -1.85 -0.45 0.00 0.00 0.00 0.00 46.02 43.72 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 2.92 0.32 1.61 1.04 -1.26 -0.82 118.95 122.76 2k0r s ARG 71 Ca 0.00 -1.59 -0.08 0.00 -1.04 0.00 0.00 55.73 53.01 2k0r s ARG 71 Cb 0.00 -4.19 0.01 0.00 -2.04 0.00 0.00 34.95 28.73 2k0r s ARG 71 CO 0.00 -1.21 0.54 -0.65 -0.04 0.00 0.00 175.30 173.94 2k0r s GLN 72 N 1.58 1.87 0.28 3.89 -0.21 -0.46 -4.93 119.66 121.67 2k0r s GLN 72 Ca 0.04 -1.55 -0.29 0.00 0.02 0.00 0.00 55.36 53.58 2k0r s GLN 72 Cb -0.28 0.49 -0.09 0.00 1.00 0.00 0.00 33.01 34.13 2k0r s GLN 72 CO 0.04 -0.80 1.01 0.99 -2.12 0.00 0.00 175.29 174.41 2k0r s THR 73 N -3.20 3.84 0.10 -0.19 2.01 -1.26 -0.29 115.64 116.64 2k0r s THR 73 Ca 0.25 1.78 -0.03 0.00 0.31 0.00 0.00 61.69 64.00 2k0r s THR 73 Cb -0.01 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 2k0r s THR 73 CO 0.15 0.37 0.07 0.54 -0.69 0.00 0.00 174.62 175.07 2k0r s VAL 74 N -1.26 0.15 -0.07 3.82 0.11 0.11 -0.10 120.40 123.16 2k0r s VAL 74 Ca 0.45 -1.69 0.05 0.00 -2.93 0.00 0.00 61.98 57.85 2k0r s VAL 74 Cb -0.27 -1.71 -0.01 0.00 -1.53 0.00 0.00 36.38 32.85 2k0r s VAL 74 CO 0.34 -0.67 -0.21 -0.31 -3.33 0.00 0.00 175.10 170.92 2k0r s TYR 75 N -3.96 2.56 -1.96 1.54 2.02 -0.44 -1.43 117.35 115.67 2k0r s TYR 75 Ca 0.14 -0.59 0.23 0.00 -0.37 0.00 0.00 57.07 56.48 2k0r s TYR 75 Cb 0.07 -1.65 0.13 0.00 -0.40 0.00 0.00 41.96 40.11 2k0r s TYR 75 CO -0.05 -0.13 1.18 -2.39 -1.57 0.00 0.00 175.55 172.58 2k0r n HIS 76 N 2.91 0.00 0.00 2.71 1.44 -1.26 -2.48 115.22 118.55 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 -0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.61 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 -0.18 -1.97 -2.71 -1.40 -0.00 -1.26 -4.11 115.22 103.59 2k0r n HIS 77 Ca 0.10 0.03 -0.41 0.00 -0.00 0.00 0.00 57.72 57.43 2k0r n HIS 77 Cb 0.44 0.44 -0.04 0.00 -0.00 0.00 0.00 29.99 30.84 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 4.67 -0.36 1.57 -1.05 -1.26 0.04 118.70 120.31 2k0r s GLU 78 Ca 0.00 1.47 0.04 0.00 -0.15 0.00 0.00 54.97 56.33 2k0r s GLU 78 Cb 0.00 -3.38 0.19 0.00 -0.44 0.00 0.00 34.13 30.50 2k0r s GLU 78 CO 0.00 0.16 0.70 0.00 0.95 0.00 0.00 175.26 177.07 2k0r s ALA 79 N 0.12 -2.76 0.10 -0.84 0.00 -1.19 -4.75 121.76 112.44 2k0r s ALA 79 Ca 0.48 0.66 0.10 0.00 0.00 0.00 0.00 51.96 53.20 2k0r s ALA 79 Cb -0.24 -2.73 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 2k0r s ALA 79 CO 0.30 -2.14 -0.26 -1.14 0.00 0.00 0.00 175.76 172.52 2k0r s GLN 80 N 2.21 1.56 -0.01 0.00 0.74 -1.26 -1.22 119.66 121.69 2k0r s GLN 80 Ca 0.15 -1.26 0.03 0.00 0.05 0.00 0.00 55.36 54.33 2k0r s GLN 80 Cb -0.05 -1.95 -0.01 0.00 1.10 0.00 0.00 33.01 32.11 2k0r s GLN 80 CO -0.14 0.47 -0.09 0.08 -0.55 0.00 0.00 175.29 175.06 2k0r s VAL 81 N -0.99 0.72 -0.19 1.34 1.01 0.89 0.08 120.40 123.26 2k0r s VAL 81 Ca 0.14 -0.41 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 2k0r s VAL 81 Cb -0.10 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 2k0r s VAL 81 CO 0.05 0.20 0.05 0.00 0.00 0.00 0.00 175.10 175.39 2k0r s ALA 82 N -0.23 3.27 -0.83 5.51 0.00 1.00 -1.71 121.76 128.76 2k0r s ALA 82 Ca 0.03 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.12 2k0r s ALA 82 Cb -0.04 -1.90 0.21 0.00 0.00 0.00 0.00 23.12 21.40 2k0r s ALA 82 CO -0.00 0.01 0.70 -0.06 0.00 0.00 0.00 175.76 176.41 2k0r s PHE 83 N 0.69 3.79 0.26 0.00 0.08 0.89 -0.06 117.98 123.64 2k0r s PHE 83 Ca 0.02 -2.97 -0.29 0.00 0.12 0.00 0.00 56.93 53.81 2k0r s PHE 83 Cb -0.13 -3.22 -0.09 0.00 -0.57 0.00 0.00 43.02 39.00 2k0r s PHE 83 CO 0.02 -0.75 1.26 -1.25 -0.10 0.00 0.00 175.22 174.40 2k0r s PRO 84 N -1.08 4.43 0.21 0.24 0.04 -1.26 -0.97 135.00 136.61 2k0r s PRO 84 Ca 0.25 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 63.05 2k0r s PRO 84 Cb -0.10 -3.15 -0.08 0.00 0.04 0.00 0.00 34.50 31.21 2k0r s PRO 84 CO -0.11 -0.12 1.03 0.71 0.04 0.00 0.00 177.00 178.55 2k0r s TYR 85 N -0.62 3.74 -2.56 0.56 2.02 -1.18 -2.65 117.35 116.67 2k0r s TYR 85 Ca 0.51 1.74 0.24 0.00 -0.37 0.00 0.00 57.07 59.19 2k0r s TYR 85 Cb -0.37 -3.16 0.17 0.00 -0.40 0.00 0.00 41.96 38.21 2k0r s TYR 85 CO 0.44 -0.17 1.23 0.00 -1.57 0.00 0.00 175.55 175.48 2k0r n ALA 86 N 1.92 2.92 -3.38 3.71 0.00 -1.25 -4.73 120.51 119.70 2k0r n ALA 86 Ca 0.00 -0.65 -0.13 0.00 0.00 0.00 0.00 53.44 52.67 2k0r n ALA 86 Cb 0.47 -0.83 -0.10 0.00 0.00 0.00 0.00 19.45 18.98 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 -2.21 0.48 0.22 0.00 -0.14 -1.26 -4.95 119.74 111.89 2k0r s LYS 87 Ca 0.25 0.62 -0.30 0.00 -1.36 0.00 0.00 55.97 55.18 2k0r s LYS 87 Cb 0.19 0.20 -0.09 0.00 -1.68 0.00 0.00 37.83 36.46 2k0r s LYS 87 CO 0.42 -0.07 1.22 0.00 -0.76 0.00 0.00 175.35 176.16 2k0r s ALA 88 N 0.41 3.46 -0.30 5.17 0.00 -1.26 -5.01 121.76 124.23 2k0r s ALA 88 Ca -0.01 1.02 -0.18 0.00 0.00 0.00 0.00 51.96 52.78 2k0r s ALA 88 Cb -0.04 -3.43 0.21 0.00 0.00 0.00 0.00 23.12 19.87 2k0r s ALA 88 CO -0.02 -0.41 1.32 0.54 0.00 0.00 0.00 175.76 177.19 2k0r s VAL 89 N -0.31 0.00 -0.50 0.00 0.11 -1.26 -5.04 120.40 113.40 2k0r s VAL 89 Ca 0.52 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.60 2k0r s VAL 89 Cb -0.34 -1.00 0.56 0.00 -1.53 0.00 0.00 36.38 34.06 2k0r s VAL 89 CO 0.40 0.00 1.87 0.61 -3.33 0.00 0.00 175.10 174.64 2k0r n GLY 90 N 2.70 5.16 3.83 6.54 0.00 -1.26 -4.98 105.19 117.19 2k0r n GLY 90 Ca -0.15 -1.64 -0.22 0.00 0.00 0.00 0.00 46.02 44.01 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 -3.50 2.77 0.58 1.61 2.02 -1.26 -5.11 118.70 115.80 2k0r s GLU 91 Ca 0.58 -1.22 -0.18 0.00 0.02 0.00 0.00 54.97 54.17 2k0r s GLU 91 Cb 0.48 -2.49 -0.04 0.00 0.10 0.00 0.00 34.13 32.18 2k0r s GLU 91 CO 0.05 0.22 1.12 -1.25 0.02 0.00 0.00 175.26 175.42 2k0r s PRO 92 N -3.92 3.20 0.17 0.39 0.04 -1.26 -4.96 135.00 128.66 2k0r s PRO 92 Ca 0.37 1.54 -0.02 0.00 0.04 0.00 0.00 61.00 62.94 2k0r s PRO 92 Cb -0.06 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2k0r s PRO 92 CO 0.26 -0.96 0.12 1.52 0.04 0.00 0.00 177.00 177.98 2k0r s TYR 93 N -1.94 0.98 0.04 0.56 1.13 -0.80 -4.49 117.35 112.83 2k0r s TYR 93 Ca 0.71 -1.27 0.01 0.00 -1.41 0.00 0.00 57.07 55.11 2k0r s TYR 93 Cb -0.23 -0.48 -0.04 0.00 -1.10 0.00 0.00 41.96 40.12 2k0r s TYR 93 CO 0.31 -0.61 0.09 0.21 -2.51 0.00 0.00 175.55 173.04 2k0r s LYS 94 N -4.10 3.01 0.09 -3.49 2.36 -0.74 -1.35 119.74 115.53 2k0r s LYS 94 Ca 0.32 -0.57 0.09 0.00 -2.55 0.00 0.00 55.97 53.26 2k0r s LYS 94 Cb 0.07 -2.81 -0.03 0.00 -1.05 0.00 0.00 37.83 34.00 2k0r s LYS 94 CO 0.07 0.61 -0.25 -1.17 1.55 0.00 0.00 175.35 176.16 2k0r s LEU 95 N -2.10 2.26 -0.16 5.43 0.20 0.97 -0.97 118.68 124.32 2k0r s LEU 95 Ca 0.27 -0.66 -0.04 0.00 0.69 0.00 0.00 54.13 54.38 2k0r s LEU 95 Cb -0.12 -1.13 0.07 0.00 -0.43 0.00 0.00 46.19 44.58 2k0r s LEU 95 CO 0.19 0.17 0.19 0.54 -0.29 0.00 0.00 176.35 177.15 2k0r s VAL 96 N -0.98 -0.29 -0.03 1.68 0.11 0.94 -0.72 120.40 121.11 2k0r s VAL 96 Ca 0.11 0.07 0.07 0.00 -2.93 0.00 0.00 61.98 59.29 2k0r s VAL 96 Cb -0.10 -0.52 -0.02 0.00 -1.53 0.00 0.00 36.38 34.21 2k0r s VAL 96 CO 0.04 -0.07 -0.23 -0.76 -3.33 0.00 0.00 175.10 170.75 2k0r s LEU 97 N 2.30 2.23 -0.06 2.54 1.43 0.77 -1.12 118.68 126.78 2k0r s LEU 97 Ca 0.05 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 2k0r s LEU 97 Cb -0.14 -1.40 0.02 0.00 0.03 0.00 0.00 46.19 44.70 2k0r s LEU 97 CO -0.09 0.32 -0.04 -0.89 0.23 0.00 0.00 176.35 175.88 2k0r s THR 98 N -0.62 0.57 -0.02 5.49 2.01 0.74 -0.07 115.64 123.74 2k0r s THR 98 Ca 0.10 -0.08 0.07 0.00 0.31 0.00 0.00 61.69 62.09 2k0r s THR 98 Cb -0.10 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 71.76 2k0r s THR 98 CO -0.00 0.26 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.63 2k0r s TYR 99 N 1.33 2.21 -0.23 4.92 2.02 -0.56 -0.28 117.35 126.76 2k0r s TYR 99 Ca -0.04 -0.43 -0.10 0.00 -0.37 0.00 0.00 57.07 56.12 2k0r s TYR 99 Cb -0.14 -1.42 0.09 0.00 -0.40 0.00 0.00 41.96 40.09 2k0r s TYR 99 CO -0.02 -0.05 0.52 -1.14 -1.57 0.00 0.00 175.55 173.29 2k0r s GLN 100 N -0.55 0.48 0.00 -0.62 0.74 -1.26 -0.66 119.66 117.79 2k0r s GLN 100 Ca 0.09 1.09 0.00 0.00 0.05 0.00 0.00 55.36 56.58 2k0r s GLN 100 Cb -0.10 0.29 0.00 0.00 1.10 0.00 0.00 33.01 34.30 2k0r s GLN 100 CO -0.01 -0.19 0.00 0.41 -0.55 0.00 0.00 175.29 174.95 2k0r n GLY 101 N 4.84 3.44 3.30 2.59 0.00 -1.26 -3.23 105.19 114.87 2k0r n GLY 101 Ca -0.16 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 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 1.84 0.22 -0.05 1.61 0.01 0.26 -3.81 113.70 113.79 2k0r s SER 102 Ca 0.00 -1.31 -0.15 0.00 1.31 0.00 0.00 55.95 55.79 2k0r s SER 102 Cb 0.00 0.45 -0.05 0.00 0.21 0.00 0.00 66.02 66.63 2k0r s SER 102 CO 0.00 -0.94 0.41 0.00 0.41 0.00 0.00 173.24 173.12 2k0r s ALA 103 N -4.04 3.63 0.63 1.44 0.00 0.85 -0.40 121.76 123.88 2k0r s ALA 103 Ca 0.35 -0.25 0.33 0.00 0.00 0.00 0.00 51.96 52.39 2k0r s ALA 103 Cb 0.05 -2.45 1.82 0.00 0.00 0.00 0.00 23.12 22.55 2k0r s ALA 103 CO 0.13 0.31 2.09 0.93 0.00 0.00 0.00 175.76 179.22 2k0r h GLU 104 N 5.46 0.00 0.00 0.00 4.39 -1.30 0.19 114.58 123.32 2k0r h GLU 104 Ca -0.48 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.10 2k0r h GLU 104 Cb 1.20 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.83 2k0r h GLU 104 CO 0.67 0.00 -0.59 0.00 -1.16 0.00 0.00 179.01 177.93 2k0r h ALA 105 N 1.66 0.92 0.00 3.43 0.00 -1.93 -3.47 119.26 119.86 2k0r h ALA 105 Ca 0.04 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2k0r h ALA 105 Cb 0.48 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.17 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 0.85 3.19 0.00 0.00 0.66 -5.16 105.19 105.11 2k0r n GLY 106 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.51 1.41 -0.20 1.61 1.01 -1.15 -4.94 120.40 117.63 2k0r s VAL 107 Ca 0.00 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 60.99 2k0r s VAL 107 Cb 0.00 -1.22 0.04 0.00 0.00 0.00 0.00 36.38 35.19 2k0r s VAL 107 CO 0.00 0.20 -0.13 0.00 0.00 0.00 0.00 175.10 175.17 2k0r s TYR 109 N 1.34 2.88 0.81 0.00 1.13 -1.25 -5.06 117.35 117.20 2k0r s TYR 109 Ca 0.00 -0.17 -0.11 0.00 -1.41 0.00 0.00 57.07 55.38 2k0r s TYR 109 Cb -0.15 -1.29 0.08 0.00 -1.10 0.00 0.00 41.96 39.49 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 -3.68 1.91 0.59 -3.49 0.04 -1.26 -4.62 135.00 124.49 2k0r s PRO 110 Ca 0.32 1.05 -0.18 0.00 0.04 0.00 0.00 61.00 62.23 2k0r s PRO 110 Cb -0.07 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 2k0r s PRO 110 CO 0.22 -1.85 1.12 -1.25 0.04 0.00 0.00 177.00 175.28 2k0r s PRO 111 N -4.91 3.14 -0.21 0.56 0.04 -1.26 -4.83 135.00 127.53 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 -1.98 0.05 0.00 0.04 0.00 0.00 34.50 32.43 2k0r s PRO 111 CO 0.56 -1.00 -0.09 0.08 0.04 0.00 0.00 177.00 176.60 2k0r s VAL 112 N -1.99 1.64 -0.13 -0.36 1.01 0.17 -4.99 120.40 115.75 2k0r s VAL 112 Ca 0.71 -1.12 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 2k0r s VAL 112 Cb -0.23 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 2k0r s VAL 112 CO 0.32 0.07 0.11 1.51 0.00 0.00 0.00 175.10 177.12 2k0r s ASP 113 N 1.38 6.16 -0.13 3.32 1.47 -1.26 -1.50 116.67 126.10 2k0r s ASP 113 Ca -0.03 0.37 -0.06 0.00 1.18 0.00 0.00 52.55 54.01 2k0r s ASP 113 Cb -0.17 -1.98 0.06 0.00 -0.34 0.00 0.00 42.92 40.48 2k0r s ASP 113 CO -0.07 0.36 0.29 0.42 0.68 0.00 0.00 175.17 176.85 2k0r s THR 114 N -0.75 -0.19 -0.02 2.11 -4.23 0.91 -5.00 115.64 108.46 2k0r s THR 114 Ca 0.13 0.18 -0.01 0.00 -1.18 0.00 0.00 61.69 60.81 2k0r s THR 114 Cb -0.12 -0.46 -0.04 0.00 1.34 0.00 0.00 72.50 73.23 2k0r s THR 114 CO 0.03 0.07 0.06 -1.61 -0.54 0.00 0.00 174.62 172.63 2k0r s GLU 115 N 1.71 3.02 -0.09 3.99 8.01 -1.26 -0.16 118.70 133.92 2k0r s GLU 115 Ca -0.06 -0.47 0.03 0.00 0.01 0.00 0.00 54.97 54.47 2k0r s GLU 115 Cb -0.11 -2.84 0.01 0.00 -4.31 0.00 0.00 34.13 26.89 2k0r s GLU 115 CO -0.10 0.66 -0.17 -0.06 0.01 0.00 0.00 175.26 175.60 2k0r s PHE 116 N -1.12 2.02 -0.39 1.61 0.08 0.10 -4.94 117.98 115.34 2k0r s PHE 116 Ca 0.20 -0.87 -0.23 0.00 0.12 0.00 0.00 56.93 56.15 2k0r s PHE 116 Cb -0.12 -1.42 0.01 0.00 -0.57 0.00 0.00 43.02 40.93 2k0r s PHE 116 CO 0.11 -0.41 0.80 -0.51 -0.10 0.00 0.00 175.22 175.11 2k0r s ASP 117 N 0.70 6.52 -0.15 1.36 1.11 -1.26 -0.02 116.67 124.93 2k0r s ASP 117 Ca -0.12 0.24 -0.16 0.00 0.18 0.00 0.00 52.55 52.69 2k0r s ASP 117 Cb -0.16 -2.40 -0.04 0.00 1.07 0.00 0.00 42.92 41.39 2k0r s ASP 117 CO 0.03 -0.80 0.38 -0.63 1.18 0.00 0.00 175.17 175.33 2k0r s ILE 118 N 3.21 5.25 -0.02 0.77 -1.09 -0.46 -4.91 121.20 123.95 2k0r s ILE 118 Ca 0.32 0.72 0.02 0.00 -2.23 0.00 0.00 60.65 59.48 2k0r s ILE 118 Cb -0.13 -3.72 0.05 0.00 -1.58 0.00 0.00 42.46 37.09 2k0r s ILE 118 CO 0.19 0.34 1.04 2.22 -1.23 0.00 0.00 174.94 177.50 2k0r n PHE 119 N 3.77 -0.12 -0.32 3.97 1.16 -1.26 -1.91 117.46 122.75 2k0r n PHE 119 Ca -0.09 -0.58 0.00 0.00 -1.87 0.00 0.00 57.45 54.91 2k0r n PHE 119 Cb 0.52 0.52 0.00 0.00 -1.61 0.00 0.00 39.48 38.91 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 -0.07 -0.37 0.02 4.97 0.00 -1.26 -4.99 105.19 103.49 2k0r n GLY 120 Ca -0.25 -0.79 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 0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.26 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 -0.67 1.93 3.75 8.20 0.00 -1.26 -4.97 105.19 112.18 2k0r n GLY 122 Ca 0.00 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.08 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 4.99 0.02 2.61 2.01 -1.26 -1.14 115.64 122.87 2k0r s THR 123 Ca 0.00 1.21 -0.00 0.00 0.31 0.00 0.00 61.69 63.20 2k0r s THR 123 Cb 0.00 -3.92 -0.02 0.00 0.01 0.00 0.00 72.50 68.57 2k0r s THR 123 CO 0.00 0.38 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.97 2k0r s TYR 124 N 0.11 0.27 0.03 4.92 1.51 -1.19 -4.98 117.35 118.02 2k0r s TYR 124 Ca 0.31 -0.54 -0.11 0.00 -1.01 0.00 0.00 57.07 55.72 2k0r s TYR 124 Cb -0.17 -0.20 0.01 0.00 -0.11 0.00 0.00 41.96 41.49 2k0r s TYR 124 CO 0.16 -0.20 0.22 -1.01 -1.11 0.00 0.00 175.55 173.61 2k0r s HIS 125 N -1.59 -0.01 0.25 2.71 3.76 -1.26 -2.58 115.29 116.57 2k0r s HIS 125 Ca -0.15 -0.15 -0.30 0.00 -0.15 0.00 0.00 55.06 54.32 2k0r s HIS 125 Cb -0.09 0.01 -0.09 0.00 1.11 0.00 0.00 32.58 33.52 2k0r s HIS 125 CO -0.01 -0.42 1.27 -1.25 -0.85 0.00 0.00 174.74 173.48 2k0r s PRO 126 N -2.29 4.42 -0.57 8.40 0.04 -1.26 -4.94 135.00 138.81 2k0r s PRO 126 Ca -0.07 2.05 -0.03 0.00 0.04 0.00 0.00 61.00 62.99 2k0r s PRO 126 Cb -0.02 -3.16 0.14 0.00 0.04 0.00 0.00 34.50 31.50 2k0r s PRO 126 CO -0.02 -0.16 2.57 1.04 0.04 0.00 0.00 177.00 180.47 2k0r n GLN 127 N 1.91 2.53 0.00 4.56 1.13 -1.26 -5.20 117.38 121.04 2k0r n GLN 127 Ca 0.03 -2.67 0.02 0.00 -1.94 0.00 0.00 57.00 52.44 2k0r n GLN 127 Cb 0.43 -2.18 0.02 0.00 0.11 0.00 0.00 30.24 28.62 2k0r n GLN 127 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03