#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 2.62 -3.48 3.04 0.00 -1.26 -5.11 120.51 116.32 2k0r n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k0r n ALA 2 Cb 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 19.45 19.43 2k0r n ALA 2 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2k0r s LEU 3 N -4.32 -0.56 0.00 0.00 0.20 -1.26 -5.18 118.68 107.56 2k0r s LEU 3 Ca 0.00 0.80 -0.06 0.00 0.69 0.00 0.00 54.13 55.56 2k0r s LEU 3 Cb 0.00 1.68 0.02 0.00 -0.43 0.00 0.00 46.19 47.46 2k0r s LEU 3 CO 0.00 -0.12 0.27 -0.67 -0.29 0.00 0.00 176.35 175.54 2k0r n ASP 4 N 4.58 -0.35 -0.00 3.68 2.03 -1.26 -5.06 116.55 120.17 2k0r n ASP 4 Ca -0.12 -1.14 -0.00 0.00 0.52 0.00 0.00 54.79 54.05 2k0r n ASP 4 Cb 0.54 0.55 -0.01 0.00 -0.72 0.00 0.00 41.12 41.49 2k0r n ASP 4 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0r n ALA 5 N -2.50 1.98 -0.39 -1.67 0.00 -1.26 -4.93 120.51 111.75 2k0r n ALA 5 Ca -0.03 -0.06 -0.25 0.00 0.00 0.00 0.00 53.44 53.11 2k0r n ALA 5 Cb 0.14 0.21 0.22 0.00 0.00 0.00 0.00 19.45 20.02 2k0r n ALA 5 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2k0r n ASN 6 N -1.99 -3.43 0.00 0.00 3.02 -1.26 -0.00 115.26 111.59 2k0r n ASN 6 Ca -0.01 -0.58 0.11 0.00 -0.03 0.00 0.00 54.58 54.07 2k0r n ASN 6 Cb 0.49 -0.91 0.57 0.00 -0.61 0.00 0.00 39.78 39.32 2k0r n ASN 6 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2k0r n ASP 7 N -3.57 0.00 0.27 6.41 5.75 -1.26 -3.33 116.55 120.82 2k0r n ASP 7 Ca 0.09 -0.04 0.18 0.00 -0.01 0.00 0.00 54.79 55.01 2k0r n ASP 7 Cb 0.48 -0.28 0.91 0.00 -1.03 0.00 0.00 41.12 41.20 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 0.00-10.13 -2.12 3.38 -1.95 -3.41 115.31 101.08 2k0r h LEU 8 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 2k0r h LEU 8 Cb 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2k0r h LEU 8 CO 0.00 0.00 -0.44 -1.48 0.09 0.00 0.00 178.44 176.61 2k0r s LEU 9 N -6.65 4.32 0.72 1.67 2.34 -1.21 -4.88 118.68 114.98 2k0r s LEU 9 Ca -0.04 0.13 -0.13 0.00 0.06 0.00 0.00 54.13 54.15 2k0r s LEU 9 Cb 0.13 -2.90 0.03 0.00 -0.56 0.00 0.00 46.19 42.89 2k0r s LEU 9 CO 0.43 -0.02 1.10 -2.16 -1.06 0.00 0.00 176.35 174.63 2k0r s PRO 10 N -3.67 2.52 0.00 1.48 0.04 -1.26 -4.89 135.00 129.22 2k0r s PRO 10 Ca 0.34 1.28 0.14 0.00 0.04 0.00 0.00 61.00 62.81 2k0r s PRO 10 Cb -0.10 -1.92 0.67 0.00 0.04 0.00 0.00 34.50 33.19 2k0r s PRO 10 CO 0.29 -1.46 1.43 -0.35 0.04 0.00 0.00 177.00 176.96 2k0r n PRO 11 N -2.98 0.09 0.01 0.56 -0.04 -1.26 -1.88 135.00 129.50 2k0r n PRO 11 Ca 0.10 0.21 -0.12 0.00 -0.04 0.00 0.00 63.50 63.64 2k0r n PRO 11 Cb 0.52 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.39 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 -0.10 0.00 0.54 5.08 -1.93 -3.30 114.58 114.88 2k0r h GLU 12 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2k0r h GLU 12 Cb 0.20 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2k0r h GLU 12 CO 0.00 0.42 -0.70 0.36 -1.00 0.00 0.00 179.01 178.10 2k0r n LYS 13 N -4.87 0.22 0.29 2.33 -0.00 -1.19 -3.93 118.16 111.01 2k0r n LYS 13 Ca -0.08 0.04 0.15 0.00 -0.00 0.00 0.00 58.31 58.41 2k0r n LYS 13 Cb 0.28 -1.62 0.89 0.00 -0.00 0.00 0.00 35.03 34.59 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 2.64 1.58 -4.19 0.58 0.00 -1.45 -3.41 119.26 115.01 2k0r h ALA 14 Ca 0.00 -0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.22 2k0r h ALA 14 Cb 0.68 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.18 2k0r h ALA 14 CO 0.00 -0.02 -0.85 -0.06 0.00 0.00 0.00 179.25 178.32 2k0r s PHE 15 N -4.67 2.48 -0.59 0.00 0.08 -1.25 -0.04 117.98 114.00 2k0r s PHE 15 Ca -0.05 -0.48 0.04 0.00 0.12 0.00 0.00 56.93 56.56 2k0r s PHE 15 Cb 0.15 -1.58 0.16 0.00 -0.57 0.00 0.00 43.02 41.17 2k0r s PHE 15 CO 0.56 -0.06 0.39 0.08 -0.10 0.00 0.00 175.22 176.09 2k0r s VAL 16 N -0.43 2.26 0.39 -0.44 1.01 0.70 -4.91 120.40 118.97 2k0r s VAL 16 Ca 0.04 -3.62 -0.26 0.00 0.00 0.00 0.00 61.98 58.15 2k0r s VAL 16 Cb -0.12 -2.52 -0.09 0.00 0.00 0.00 0.00 36.38 33.66 2k0r s VAL 16 CO 0.01 -0.98 1.19 -2.16 0.00 0.00 0.00 175.10 173.17 2k0r s PRO 17 N -0.76 4.11 -0.07 2.72 0.04 -1.26 -1.56 135.00 138.22 2k0r s PRO 17 Ca 0.23 1.91 -0.03 0.00 0.04 0.00 0.00 61.00 63.16 2k0r s PRO 17 Cb -0.10 -2.76 0.04 0.00 0.04 0.00 0.00 34.50 31.72 2k0r s PRO 17 CO -0.11 -0.29 0.14 -2.00 0.04 0.00 0.00 177.00 174.78 2k0r s GLU 18 N -2.18 0.07 -0.02 4.56 2.12 0.15 -4.91 118.70 118.49 2k0r s GLU 18 Ca 0.55 0.41 -0.01 0.00 0.36 0.00 0.00 54.97 56.28 2k0r s GLU 18 Cb -0.33 -0.20 -0.04 0.00 0.26 0.00 0.00 34.13 33.82 2k0r s GLU 18 CO 0.41 -0.20 0.07 -1.17 -0.54 0.00 0.00 175.26 173.84 2k0r s LEU 19 N 1.42 3.88 -0.25 2.70 1.98 -1.05 -0.80 118.68 126.57 2k0r s LEU 19 Ca -0.06 0.16 -0.02 0.00 -2.89 0.00 0.00 54.13 51.31 2k0r s LEU 19 Cb -0.12 -2.20 0.11 0.00 0.66 0.00 0.00 46.19 44.64 2k0r s LEU 19 CO -0.06 0.29 0.26 0.00 -1.89 0.00 0.00 176.35 174.95 2k0r s ALA 20 N -1.15 -0.36 0.20 5.97 0.00 0.80 -3.14 121.76 124.08 2k0r s ALA 20 Ca 0.21 -0.00 -0.30 0.00 0.00 0.00 0.00 51.96 51.87 2k0r s ALA 20 Cb -0.12 -1.55 -0.08 0.00 0.00 0.00 0.00 23.12 21.37 2k0r s ALA 20 CO 0.12 -1.45 1.03 0.08 0.00 0.00 0.00 175.76 175.54 2k0r s VAL 21 N 2.35 4.00 0.33 0.00 1.01 -0.12 -0.23 120.40 127.73 2k0r s VAL 21 Ca 0.09 1.82 0.01 0.00 0.00 0.00 0.00 61.98 63.89 2k0r s VAL 21 Cb -0.15 -4.16 -0.00 0.00 0.00 0.00 0.00 36.38 32.07 2k0r s VAL 21 CO -0.22 0.36 0.03 0.00 0.00 0.00 0.00 175.10 175.26 2k0r n ALA 22 N 2.04 0.33 0.08 5.51 0.00 0.15 -4.78 120.51 123.84 2k0r n ALA 22 Ca 0.01 -1.54 0.08 0.00 0.00 0.00 0.00 53.44 51.98 2k0r n ALA 22 Cb 0.47 0.90 -0.03 0.00 0.00 0.00 0.00 19.45 20.78 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 -1.35 0.84 -0.46 0.00 2.03 -1.26 -3.99 116.55 112.35 2k0r n ASP 23 Ca -0.11 0.34 0.07 0.00 0.52 0.00 0.00 54.79 55.60 2k0r n ASP 23 Cb 0.44 0.38 0.16 0.00 -0.72 0.00 0.00 41.12 41.38 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 -2.74 2.93 0.00 1.67 8.00 -1.26 -5.04 116.55 120.11 2k0r n ASP 24 Ca -0.03 -2.65 0.00 0.00 0.71 0.00 0.00 54.79 52.82 2k0r n ASP 24 Cb 0.65 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 2k0r n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k0r n GLY 25 N -0.56 0.16 3.13 0.44 0.00 -1.26 -3.01 105.19 104.09 2k0r n GLY 25 Ca 0.14 -1.60 -0.23 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.65 1.20 -0.14 1.61 1.01 -0.58 0.30 120.40 121.15 2k0r s VAL 26 Ca 0.00 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.29 2k0r s VAL 26 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.38 2k0r s VAL 26 CO 0.00 0.29 -0.20 0.20 0.00 0.00 0.00 175.10 175.39 2k0r s ASN 27 N -0.48 3.30 -0.10 3.32 0.01 0.68 0.40 114.94 122.07 2k0r s ASN 27 Ca 0.05 -0.55 0.02 0.00 -0.71 0.00 0.00 52.86 51.67 2k0r s ASN 27 Cb -0.06 -1.48 0.01 0.00 0.41 0.00 0.00 41.25 40.13 2k0r s ASN 27 CO -0.00 0.10 -0.15 0.54 -1.51 0.00 0.00 177.10 176.08 2k0r s VAL 28 N 0.73 1.45 -0.04 1.60 0.11 -0.70 -0.14 120.40 123.40 2k0r s VAL 28 Ca -0.08 -0.62 0.03 0.00 -2.93 0.00 0.00 61.98 58.38 2k0r s VAL 28 Cb -0.16 -1.32 0.00 0.00 -1.53 0.00 0.00 36.38 33.37 2k0r s VAL 28 CO 0.00 0.43 -0.14 -0.60 -3.33 0.00 0.00 175.10 171.47 2k0r s ARG 29 N 0.94 1.53 -0.12 1.54 3.00 0.02 0.01 118.95 125.86 2k0r s ARG 29 Ca -0.08 -0.48 0.01 0.00 -1.00 0.00 0.00 55.73 54.19 2k0r s ARG 29 Cb -0.15 -1.33 0.02 0.00 0.00 0.00 0.00 34.95 33.49 2k0r s ARG 29 CO -0.01 0.16 -0.15 -0.59 0.00 0.00 0.00 175.30 174.71 2k0r s PHE 30 N 0.22 2.05 -0.31 5.12 -0.71 0.12 0.31 117.98 124.79 2k0r s PHE 30 Ca -0.06 -1.04 -0.22 0.00 -1.04 0.00 0.00 56.93 54.56 2k0r s PHE 30 Cb -0.12 -1.49 -0.00 0.00 -1.21 0.00 0.00 43.02 40.20 2k0r s PHE 30 CO 0.02 -0.55 0.74 1.03 -1.34 0.00 0.00 175.22 175.12 2k0r s ARG 31 N 1.20 3.94 0.04 1.99 0.52 -0.60 -3.15 118.95 122.88 2k0r s ARG 31 Ca -0.02 0.49 -0.05 0.00 -0.52 0.00 0.00 55.73 55.63 2k0r s ARG 31 Cb -0.14 -3.73 -0.05 0.00 0.52 0.00 0.00 34.95 31.55 2k0r s ARG 31 CO -0.05 -0.65 0.28 0.42 0.02 0.00 0.00 175.30 175.32 2k0r s ILE 32 N 2.86 5.28 0.53 1.52 1.01 0.11 -0.21 121.20 132.29 2k0r s ILE 32 Ca 0.30 0.08 -0.22 0.00 0.00 0.00 0.00 60.65 60.81 2k0r s ILE 32 Cb -0.14 -3.59 -0.05 0.00 0.01 0.00 0.00 42.46 38.68 2k0r s ILE 32 CO 0.12 0.27 1.28 0.00 0.00 0.00 0.00 174.94 176.62 2k0r s ALA 33 N -1.40 2.83 0.30 9.38 0.00 0.94 -4.12 121.76 129.70 2k0r s ALA 33 Ca 0.31 1.17 0.36 0.00 0.00 0.00 0.00 51.96 53.80 2k0r s ALA 33 Cb -0.13 -3.50 1.91 0.00 0.00 0.00 0.00 23.12 21.40 2k0r s ALA 33 CO 0.19 -1.13 2.09 0.22 0.00 0.00 0.00 175.76 177.13 2k0r h ASP 34 N 1.57 0.00 -0.11 0.00 1.82 -1.70 0.71 116.42 118.71 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 1.28 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.29 2k0r h ASP 34 CO 0.58 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.82 2k0r n GLY 35 N -1.06 0.53 3.31 -0.78 0.00 1.00 -4.87 105.19 103.32 2k0r n GLY 35 Ca -0.02 -0.53 -0.17 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.88 1.53 -0.22 1.61 2.02 0.24 -1.21 117.35 119.45 2k0r s TYR 36 Ca 0.34 -0.69 -0.16 0.00 -0.37 0.00 0.00 57.07 56.19 2k0r s TYR 36 Cb 0.20 -0.77 0.06 0.00 -0.40 0.00 0.00 41.96 41.05 2k0r s TYR 36 CO 0.31 0.20 0.56 1.52 -1.57 0.00 0.00 175.55 176.56 2k0r s TYR 37 N -3.17 -0.72 0.08 2.71 1.13 0.17 -4.61 117.35 112.94 2k0r s TYR 37 Ca 0.21 1.61 0.08 0.00 -1.41 0.00 0.00 57.07 57.56 2k0r s TYR 37 Cb 0.02 0.33 -0.04 0.00 -1.10 0.00 0.00 41.96 41.17 2k0r s TYR 37 CO 0.05 -0.36 -0.17 -1.64 -2.51 0.00 0.00 175.55 170.92 2k0r s MET 38 N 0.89 1.98 -0.02 -3.49 -1.94 -1.02 -0.04 119.30 115.67 2k0r s MET 38 Ca -0.05 -1.06 -0.30 0.00 -1.71 0.00 0.00 55.69 52.58 2k0r s MET 38 Cb -0.05 -2.18 -0.03 0.00 2.01 0.00 0.00 34.83 34.58 2k0r s MET 38 CO -0.07 0.51 1.00 0.71 -0.01 0.00 0.00 175.02 177.16 2k0r s TYR 39 N -1.05 3.61 0.29 -0.03 2.02 -1.21 -0.39 117.35 120.59 2k0r s TYR 39 Ca 0.17 1.65 0.04 0.00 -0.37 0.00 0.00 57.07 58.56 2k0r s TYR 39 Cb -0.11 -3.16 0.70 0.00 -0.40 0.00 0.00 41.96 39.00 2k0r s TYR 39 CO 0.08 -0.15 1.76 0.37 -1.57 0.00 0.00 175.55 176.04 2k0r h GLN 40 N 6.87 0.64 0.00 -0.62 4.15 -0.93 0.37 115.11 125.59 2k0r h GLN 40 Ca -0.39 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 58.92 2k0r h GLN 40 Cb 1.20 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.74 2k0r h GLN 40 CO 0.78 0.42 -0.32 0.00 -1.93 0.00 0.00 178.83 177.78 2k0r h ALA 41 N 1.64 1.47 0.00 3.38 0.00 -1.92 -2.49 119.26 121.34 2k0r h ALA 41 Ca 0.55 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 55.03 2k0r h ALA 41 Cb 0.89 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2k0r h ALA 41 CO -0.41 0.40 -0.66 0.87 0.00 0.00 0.00 179.25 179.45 2k0r h LYS 42 N 0.00 0.00 -6.83 0.00 6.56 -0.63 -3.45 116.57 112.22 2k0r h LYS 42 Ca -0.00 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 59.06 2k0r h LYS 42 Cb 0.57 0.00 0.07 0.00 -0.57 0.00 0.00 32.23 32.30 2k0r h LYS 42 CO 0.04 0.66 0.72 0.42 -2.06 0.00 0.00 179.45 179.23 2k0r s ILE 43 N -3.30 2.57 -0.01 1.86 -1.09 -0.54 -4.52 121.20 116.16 2k0r s ILE 43 Ca 0.00 0.52 -0.00 0.00 -2.23 0.00 0.00 60.65 58.94 2k0r s ILE 43 Cb 0.11 -3.33 0.01 0.00 -1.58 0.00 0.00 42.46 37.67 2k0r s ILE 43 CO 0.76 0.11 0.02 -0.69 -1.23 0.00 0.00 174.94 173.91 2k0r s VAL 44 N -0.61 -0.02 -0.27 2.92 1.01 0.11 -4.98 120.40 118.55 2k0r s VAL 44 Ca 0.54 0.09 -0.08 0.00 0.00 0.00 0.00 61.98 62.53 2k0r s VAL 44 Cb -0.42 -0.05 0.13 0.00 0.00 0.00 0.00 36.38 36.03 2k0r s VAL 44 CO 0.50 0.04 0.58 -0.83 0.00 0.00 0.00 175.10 175.38 2k0r s GLY 45 N 0.46 -0.65 0.01 4.51 0.00 -1.25 -0.03 107.32 110.38 2k0r s GLY 45 Ca -0.04 2.03 -0.02 0.00 0.00 0.00 0.00 44.72 46.69 2k0r s GLY 45 CO -0.01 2.91 0.02 -1.59 0.00 0.00 0.00 173.10 174.43 2k0r s LYS 46 N 2.81 0.35 -0.20 2.90 0.00 -0.36 -4.58 119.74 120.67 2k0r s LYS 46 Ca -0.02 -0.54 -0.06 0.00 0.00 0.00 0.00 55.97 55.35 2k0r s LYS 46 Cb -0.12 0.13 0.09 0.00 0.00 0.00 0.00 37.83 37.93 2k0r s LYS 46 CO -0.17 -0.07 0.41 -0.08 0.00 0.00 0.00 175.35 175.44 2k0r s THR 47 N -1.41 -0.64 -0.26 3.79 -1.32 -1.26 0.24 115.64 114.79 2k0r s THR 47 Ca -0.15 0.15 -0.37 0.00 -1.21 0.00 0.00 61.69 60.10 2k0r s THR 47 Cb -0.09 -0.67 0.15 0.00 -1.51 0.00 0.00 72.50 70.38 2k0r s THR 47 CO -0.00 0.06 1.33 0.54 -2.21 0.00 0.00 174.62 174.33 2k0r s ASN 48 N 2.60 -0.05 0.30 8.08 4.22 -0.27 -4.35 114.94 125.47 2k0r s ASN 48 Ca -0.00 -0.00 0.08 0.00 -2.14 0.00 0.00 52.86 50.80 2k0r s ASN 48 Cb -0.12 0.05 0.47 0.00 1.28 0.00 0.00 41.25 42.93 2k0r s ASN 48 CO -0.13 -0.09 1.69 1.55 -2.04 0.00 0.00 177.10 178.09 2k0r h PRO 49 N 2.00 0.14 0.00 3.55 0.13 -1.84 -2.09 132.00 133.88 2k0r h PRO 49 Ca -0.04 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2k0r h PRO 49 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2k0r h PRO 49 CO 0.20 0.58 0.00 0.00 -0.23 0.00 0.00 178.00 178.55 2k0r n ALA 50 N -2.46 0.00 0.00 -0.56 0.00 -1.26 -4.79 120.51 111.44 2k0r n ALA 50 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2k0r n ALA 50 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 -1.66 0.00 -0.04 0.00 2.03 -1.26 -5.01 116.55 110.60 2k0r n ASP 51 Ca 0.00 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.21 2k0r n ASP 51 Cb 0.00 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.26 2k0r n ASP 51 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2k0r n LEU 52 N 0.00 0.87 -4.68 -2.67 4.77 -1.26 -4.88 117.00 109.15 2k0r n LEU 52 Ca 0.00 0.27 -0.42 0.00 -0.03 0.00 0.00 56.01 55.82 2k0r n LEU 52 Cb 0.00 0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 2k0r n LEU 52 CO 0.00 0.48 1.02 -0.22 -1.33 0.00 0.00 177.39 177.34 2k0r s LEU 53 N -6.03 4.27 0.00 2.23 1.98 -1.26 -1.83 118.68 118.04 2k0r s LEU 53 Ca -0.09 1.85 0.00 0.00 -2.89 0.00 0.00 54.13 53.01 2k0r s LEU 53 Cb 0.07 -3.55 0.00 0.00 0.66 0.00 0.00 46.19 43.37 2k0r s LEU 53 CO 0.81 -0.65 0.00 0.61 -1.89 0.00 0.00 176.35 175.23 2k0r n GLY 54 N 3.49 -1.77 3.06 7.98 0.00 -1.10 -4.89 105.19 111.96 2k0r n GLY 54 Ca 0.12 0.00 -0.09 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 0.57 1.61 -2.07 -1.26 -5.07 119.66 113.97 2k0r s GLN 55 Ca 0.00 -1.00 -0.19 0.00 -1.82 0.00 0.00 55.36 52.36 2k0r s GLN 55 Cb 0.00 0.07 -0.05 0.00 -1.09 0.00 0.00 33.01 31.94 2k0r s GLN 55 CO 0.00 -0.06 1.13 -1.25 -1.32 0.00 0.00 175.29 173.78 2k0r s PRO 56 N -2.90 3.25 -0.62 9.60 0.04 -1.26 -4.28 135.00 138.83 2k0r s PRO 56 Ca -0.01 1.57 0.06 0.00 0.04 0.00 0.00 61.00 62.65 2k0r s PRO 56 Cb 0.00 -1.99 0.21 0.00 0.04 0.00 0.00 34.50 32.75 2k0r s PRO 56 CO -0.05 -0.93 0.57 0.43 0.04 0.00 0.00 177.00 177.06 2k0r n SER 57 N -1.52 2.58 -4.73 6.66 7.64 0.15 -4.86 113.62 119.54 2k0r n SER 57 Ca 0.11 -3.14 -0.41 0.00 1.01 0.00 0.00 58.87 56.44 2k0r n SER 57 Cb 0.51 -0.69 -0.04 0.00 -1.01 0.00 0.00 64.21 62.98 2k0r n SER 57 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2k0r s PHE 58 N -1.62 3.67 1.36 1.43 -0.12 -1.26 -1.07 117.98 120.37 2k0r s PHE 58 Ca 0.32 1.65 -0.22 0.00 -0.05 0.00 0.00 56.93 58.64 2k0r s PHE 58 Cb 0.06 -3.18 0.34 0.00 -0.63 0.00 0.00 43.02 39.61 2k0r s PHE 58 CO -0.11 -0.28 0.76 -1.13 -0.05 0.00 0.00 175.22 174.41 2k0r n SER 59 N 3.01 -3.95 -4.04 1.98 3.41 -0.35 -4.98 113.62 108.71 2k0r n SER 59 Ca 0.04 -0.77 -0.33 0.00 -0.26 0.00 0.00 58.87 57.55 2k0r n SER 59 Cb 0.48 -0.93 -0.12 0.00 -0.26 0.00 0.00 64.21 63.38 2k0r n SER 59 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2k0r s LYS 60 N -4.71 2.11 0.00 4.33 2.20 -1.26 -4.97 119.74 117.44 2k0r s LYS 60 Ca 0.59 -2.36 0.00 0.00 -0.36 0.00 0.00 55.97 53.84 2k0r s LYS 60 Cb -0.10 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 2k0r s LYS 60 CO 0.49 -1.10 0.00 0.41 -0.36 0.00 0.00 175.35 174.79 2k0r n GLY 61 N 3.63 -1.75 3.17 5.54 0.00 -1.26 -5.01 105.19 109.51 2k0r n GLY 61 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 2k0r n GLY 61 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k0r s GLU 62 N 0.00 0.42 0.19 1.61 2.56 -0.47 -4.95 118.70 118.06 2k0r s GLU 62 Ca 0.00 0.13 -0.30 0.00 0.00 0.00 0.00 54.97 54.80 2k0r s GLU 62 Cb 0.00 0.19 -0.08 0.00 2.00 0.00 0.00 34.13 36.24 2k0r s GLU 62 CO 0.00 -0.08 0.96 -2.00 -0.56 0.00 0.00 175.26 173.57 2k0r s GLU 63 N -0.41 4.79 -0.01 4.30 2.12 -1.26 -0.59 118.70 127.63 2k0r s GLU 63 Ca -0.05 1.49 -0.06 0.00 0.36 0.00 0.00 54.97 56.70 2k0r s GLU 63 Cb -0.03 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 31.05 2k0r s GLU 63 CO 0.01 0.39 0.13 0.21 -0.54 0.00 0.00 175.26 175.47 2k0r s LYS 64 N -0.75 0.39 -0.11 4.30 2.36 -0.17 -4.94 119.74 120.82 2k0r s LYS 64 Ca 0.43 -0.23 0.01 0.00 -2.55 0.00 0.00 55.97 53.63 2k0r s LYS 64 Cb -0.25 0.16 -0.02 0.00 -1.05 0.00 0.00 37.83 36.67 2k0r s LYS 64 CO 0.32 -0.08 -0.13 -2.00 1.55 0.00 0.00 175.35 175.00 2k0r s GLU 65 N -0.96 3.19 0.00 4.03 2.12 -1.25 -1.42 118.70 124.41 2k0r s GLU 65 Ca -0.11 -0.69 0.00 0.00 0.36 0.00 0.00 54.97 54.54 2k0r s GLU 65 Cb -0.06 -2.58 0.00 0.00 0.26 0.00 0.00 34.13 31.76 2k0r s GLU 65 CO 0.01 0.31 0.00 -3.47 -0.54 0.00 0.00 175.26 171.57 2k0r n ASP 66 N 3.25 0.00 -0.08 -1.70 2.03 0.04 -4.93 116.55 115.16 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 -0.05 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 2.81 0.00 -0.67 0.28 -1.26 -2.38 120.64 119.42 2k0r n GLU 67 Ca 0.00 -0.20 0.15 0.00 -0.16 0.00 0.00 57.16 56.95 2k0r n GLU 67 Cb 0.00 -1.08 0.76 0.00 1.43 0.00 0.00 31.44 32.55 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 -0.95 0.00 0.00 -1.84 3.01 -1.26 -4.59 117.46 111.83 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 0.20 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 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 -5.16 117.46 110.08 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 -0.34 0.32 3.32 4.97 0.00 -1.00 -4.90 105.19 107.55 2k0r n GLY 70 Ca 0.00 -1.84 -0.45 0.00 0.00 0.00 0.00 46.02 43.73 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 0.26 1.61 1.04 -1.26 -0.78 118.95 122.74 2k0r s ARG 71 Ca 0.00 -1.60 -0.10 0.00 -1.04 0.00 0.00 55.73 52.98 2k0r s ARG 71 Cb 0.00 -4.19 -0.00 0.00 -2.04 0.00 0.00 34.95 28.72 2k0r s ARG 71 CO 0.00 -1.21 0.46 -0.65 -0.04 0.00 0.00 175.30 173.86 2k0r s GLN 72 N 1.58 1.59 0.25 3.89 1.11 -0.50 -4.94 119.66 122.64 2k0r s GLN 72 Ca 0.04 -1.36 -0.30 0.00 0.01 0.00 0.00 55.36 53.75 2k0r s GLN 72 Cb -0.28 0.46 -0.09 0.00 -1.01 0.00 0.00 33.01 32.09 2k0r s GLN 72 CO 0.04 -0.66 0.94 0.99 0.01 0.00 0.00 175.29 176.61 2k0r s THR 73 N -3.84 4.07 0.30 -0.19 2.01 -1.26 -1.00 115.64 115.73 2k0r s THR 73 Ca 0.25 2.06 0.03 0.00 0.31 0.00 0.00 61.69 64.34 2k0r s THR 73 Cb -0.00 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.18 2k0r s THR 73 CO 0.11 0.47 0.27 0.68 -0.69 0.00 0.00 174.62 175.47 2k0r s VAL 74 N -1.21 0.00 -0.01 3.82 -7.23 0.24 -0.25 120.40 115.75 2k0r s VAL 74 Ca 0.42 -1.93 0.08 0.00 -1.81 0.00 0.00 61.98 58.74 2k0r s VAL 74 Cb -0.26 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.15 2k0r s VAL 74 CO 0.32 0.00 -0.25 -0.31 -0.31 0.00 0.00 175.10 174.54 2k0r s TYR 75 N -3.59 2.36 -0.20 2.82 2.02 0.47 -1.37 117.35 119.87 2k0r s TYR 75 Ca 0.38 -0.41 0.18 0.00 -0.37 0.00 0.00 57.07 56.85 2k0r s TYR 75 Cb 0.03 -1.50 -0.25 0.00 -0.40 0.00 0.00 41.96 39.84 2k0r s TYR 75 CO 0.22 0.00 0.46 -2.39 -1.57 0.00 0.00 175.55 172.27 2k0r n HIS 76 N 2.34 0.00 0.00 2.71 1.44 -1.26 -2.42 115.22 118.03 2k0r n HIS 76 Ca -0.16 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.55 2k0r n HIS 76 Cb 0.51 -0.31 0.00 0.00 0.12 0.00 0.00 29.99 30.31 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 -1.95 0.00 -3.55 -1.40 -0.00 -1.26 -4.12 115.22 102.94 2k0r n HIS 77 Ca -0.02 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.33 2k0r n HIS 77 Cb 0.42 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.34 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 -0.89 4.03 -0.36 1.57 -1.05 -1.26 0.05 118.70 120.79 2k0r s GLU 78 Ca 0.00 0.22 0.03 0.00 -0.15 0.00 0.00 54.97 55.07 2k0r s GLU 78 Cb 0.00 -3.32 0.19 0.00 -0.44 0.00 0.00 34.13 30.55 2k0r s GLU 78 CO 0.00 0.46 0.71 0.00 0.95 0.00 0.00 175.26 177.39 2k0r s ALA 79 N -0.26 -2.82 0.07 -0.84 0.00 -1.19 -4.72 121.76 112.00 2k0r s ALA 79 Ca 0.20 0.68 0.09 0.00 0.00 0.00 0.00 51.96 52.92 2k0r s ALA 79 Cb -0.14 -2.74 -0.03 0.00 0.00 0.00 0.00 23.12 20.21 2k0r s ALA 79 CO 0.08 -2.15 -0.23 -1.14 0.00 0.00 0.00 175.76 172.31 2k0r s GLN 80 N 2.20 1.44 -0.01 0.00 0.74 -1.26 -0.70 119.66 122.06 2k0r s GLN 80 Ca 0.15 -1.10 0.03 0.00 0.05 0.00 0.00 55.36 54.50 2k0r s GLN 80 Cb -0.04 -1.67 -0.01 0.00 1.10 0.00 0.00 33.01 32.39 2k0r s GLN 80 CO -0.14 0.41 -0.11 0.08 -0.55 0.00 0.00 175.29 174.98 2k0r s VAL 81 N -0.92 0.91 -0.15 1.34 1.01 0.10 -1.21 120.40 121.47 2k0r s VAL 81 Ca 0.09 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 2k0r s VAL 81 Cb -0.10 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 2k0r s VAL 81 CO 0.03 0.26 0.10 0.00 0.00 0.00 0.00 175.10 175.49 2k0r s ALA 82 N -0.22 3.62 -0.81 5.51 0.00 -0.23 -1.72 121.76 127.91 2k0r s ALA 82 Ca 0.03 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.31 2k0r s ALA 82 Cb -0.05 -1.93 0.20 0.00 0.00 0.00 0.00 23.12 21.35 2k0r s ALA 82 CO -0.00 0.39 0.69 1.19 0.00 0.00 0.00 175.76 178.02 2k0r n PHE 83 N 2.78 3.74 -2.14 0.00 3.72 0.16 0.32 117.46 126.04 2k0r n PHE 83 Ca -0.18 -4.17 -0.43 0.00 -0.05 0.00 0.00 57.45 52.62 2k0r n PHE 83 Cb 0.53 -0.89 -0.03 0.00 -0.94 0.00 0.00 39.48 38.16 2k0r n PHE 83 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2k0r s PRO 84 N -1.55 4.12 0.61 -1.08 0.04 -1.26 -1.52 135.00 134.35 2k0r s PRO 84 Ca 0.28 1.94 -0.17 0.00 0.04 0.00 0.00 61.00 63.08 2k0r s PRO 84 Cb -0.04 -3.94 -0.02 0.00 0.04 0.00 0.00 34.50 30.54 2k0r s PRO 84 CO -0.13 -0.90 1.16 0.71 0.04 0.00 0.00 177.00 177.88 2k0r s TYR 85 N 4.12 2.49 0.00 0.56 2.02 -1.16 -2.69 117.35 122.68 2k0r s TYR 85 Ca 0.68 1.55 0.00 0.00 -0.37 0.00 0.00 57.07 58.92 2k0r s TYR 85 Cb -0.28 -3.34 0.00 0.00 -0.40 0.00 0.00 41.96 37.94 2k0r s TYR 85 CO 0.25 -1.93 0.57 0.00 -1.57 0.00 0.00 175.55 172.88 2k0r n ALA 86 N -1.87 2.37 -3.17 3.71 0.00 -0.76 -4.75 120.51 116.04 2k0r n ALA 86 Ca 0.12 -0.57 -0.13 0.00 0.00 0.00 0.00 53.44 52.86 2k0r n ALA 86 Cb 0.51 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.85 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 -0.16 0.34 -0.24 0.00 -0.14 -1.25 -5.02 119.74 113.28 2k0r s LYS 87 Ca 0.00 0.38 -0.28 0.00 -1.36 0.00 0.00 55.97 54.71 2k0r s LYS 87 Cb 0.00 0.17 0.01 0.00 -1.68 0.00 0.00 37.83 36.32 2k0r s LYS 87 CO 0.00 -0.04 0.98 0.00 -0.76 0.00 0.00 175.35 175.53 2k0r s ALA 88 N 0.10 3.68 -0.13 5.17 0.00 -1.26 -5.00 121.76 124.31 2k0r s ALA 88 Ca -0.01 0.09 -0.20 0.00 0.00 0.00 0.00 51.96 51.85 2k0r s ALA 88 Cb -0.02 -3.48 0.05 0.00 0.00 0.00 0.00 23.12 19.67 2k0r s ALA 88 CO 0.01 -1.02 0.50 0.14 0.00 0.00 0.00 175.76 175.38 2k0r s VAL 89 N 3.11 0.01 -0.23 0.00 -7.23 -1.26 -5.04 120.40 109.76 2k0r s VAL 89 Ca 0.42 -0.10 0.16 0.00 -1.81 0.00 0.00 61.98 60.65 2k0r s VAL 89 Cb -0.15 -0.75 0.57 0.00 0.56 0.00 0.00 36.38 36.62 2k0r s VAL 89 CO 0.07 -0.05 1.47 0.61 -0.31 0.00 0.00 175.10 176.89 2k0r n GLY 90 N 2.16 3.81 3.98 2.32 0.00 -1.26 -5.00 105.19 111.19 2k0r n GLY 90 Ca -0.16 -1.00 -0.20 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.74 3.32 0.61 1.61 2.02 -1.26 -5.09 118.70 117.16 2k0r s GLU 91 Ca 0.44 -0.83 -0.17 0.00 0.02 0.00 0.00 54.97 54.43 2k0r s GLU 91 Cb 0.35 -2.85 -0.03 0.00 0.10 0.00 0.00 34.13 31.70 2k0r s GLU 91 CO 0.10 0.28 1.12 -1.25 0.02 0.00 0.00 175.26 175.53 2k0r s PRO 92 N -4.07 3.06 0.19 0.39 0.04 -1.26 -4.97 135.00 128.37 2k0r s PRO 92 Ca 0.38 1.49 0.02 0.00 0.04 0.00 0.00 61.00 62.93 2k0r s PRO 92 Cb -0.09 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 2k0r s PRO 92 CO 0.30 -1.06 0.02 1.52 0.04 0.00 0.00 177.00 177.82 2k0r s TYR 93 N -2.08 1.26 -0.06 0.56 1.13 -0.73 -4.55 117.35 112.89 2k0r s TYR 93 Ca 0.70 -1.06 -0.03 0.00 -1.41 0.00 0.00 57.07 55.27 2k0r s TYR 93 Cb -0.22 -0.72 -0.04 0.00 -1.10 0.00 0.00 41.96 39.88 2k0r s TYR 93 CO 0.35 -0.25 0.08 0.21 -2.51 0.00 0.00 175.55 173.42 2k0r s LYS 94 N -3.94 3.15 0.05 -3.49 2.36 -0.79 -1.37 119.74 115.71 2k0r s LYS 94 Ca 0.27 -0.36 0.07 0.00 -2.55 0.00 0.00 55.97 53.40 2k0r s LYS 94 Cb 0.06 -2.94 -0.03 0.00 -1.05 0.00 0.00 37.83 33.88 2k0r s LYS 94 CO 0.06 0.70 -0.18 -1.17 1.55 0.00 0.00 175.35 176.31 2k0r s LEU 95 N -1.28 2.61 -0.13 5.43 0.20 0.70 -1.12 118.68 125.09 2k0r s LEU 95 Ca 0.18 -0.45 -0.03 0.00 0.69 0.00 0.00 54.13 54.52 2k0r s LEU 95 Cb -0.12 -1.51 0.05 0.00 -0.43 0.00 0.00 46.19 44.18 2k0r s LEU 95 CO 0.08 0.25 0.05 -0.69 -0.29 0.00 0.00 176.35 175.75 2k0r s VAL 96 N -0.95 0.15 -0.06 1.68 1.01 0.14 -0.80 120.40 121.57 2k0r s VAL 96 Ca 0.15 -0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.10 2k0r s VAL 96 Cb -0.10 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 2k0r s VAL 96 CO 0.06 -0.05 -0.20 -0.76 0.00 0.00 0.00 175.10 174.15 2k0r s LEU 97 N 2.05 2.40 -0.05 3.92 2.01 0.10 -1.22 118.68 127.87 2k0r s LEU 97 Ca 0.03 -0.37 -0.00 0.00 0.01 0.00 0.00 54.13 53.79 2k0r s LEU 97 Cb -0.15 -1.47 0.03 0.00 0.01 0.00 0.00 46.19 44.61 2k0r s LEU 97 CO -0.07 0.28 -0.02 -0.89 1.01 0.00 0.00 176.35 176.66 2k0r s THR 98 N -0.34 0.40 -0.03 5.49 2.01 0.96 0.03 115.64 124.17 2k0r s THR 98 Ca 0.02 0.03 0.06 0.00 0.31 0.00 0.00 61.69 62.11 2k0r s THR 98 Cb -0.12 -0.50 -0.01 0.00 0.01 0.00 0.00 72.50 71.87 2k0r s THR 98 CO 0.02 0.23 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.68 2k0r s TYR 99 N 1.44 1.84 -0.23 4.92 2.02 -0.54 -0.71 117.35 126.08 2k0r s TYR 99 Ca -0.03 -0.43 -0.10 0.00 -0.37 0.00 0.00 57.07 56.13 2k0r s TYR 99 Cb -0.13 -1.20 0.09 0.00 -0.40 0.00 0.00 41.96 40.31 2k0r s TYR 99 CO -0.03 -0.10 0.52 -1.14 -1.57 0.00 0.00 175.55 173.24 2k0r s GLN 100 N -0.26 0.48 0.00 -0.62 0.74 -1.26 -0.80 119.66 117.94 2k0r s GLN 100 Ca 0.03 1.09 0.00 0.00 0.05 0.00 0.00 55.36 56.53 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 0.00 175.29 174.97 2k0r n GLY 101 N 4.82 3.47 3.20 2.59 0.00 -1.26 -3.29 105.19 114.72 2k0r n GLY 101 Ca -0.16 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 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 1.48 0.31 -0.08 1.61 0.01 0.95 -3.80 113.70 114.17 2k0r s SER 102 Ca 0.00 -1.34 -0.12 0.00 1.31 0.00 0.00 55.95 55.79 2k0r s SER 102 Cb 0.00 0.33 -0.05 0.00 0.21 0.00 0.00 66.02 66.52 2k0r s SER 102 CO 0.00 -0.80 0.30 0.00 0.41 0.00 0.00 173.24 173.15 2k0r s ALA 103 N -4.09 3.72 0.62 1.44 0.00 0.60 -0.65 121.76 123.41 2k0r s ALA 103 Ca 0.35 -0.41 0.33 0.00 0.00 0.00 0.00 51.96 52.23 2k0r s ALA 103 Cb 0.07 -2.27 1.83 0.00 0.00 0.00 0.00 23.12 22.75 2k0r s ALA 103 CO 0.10 0.40 2.12 1.05 0.00 0.00 0.00 175.76 179.42 2k0r h GLU 104 N 5.41 0.00 0.00 0.00 -0.00 -1.49 0.14 114.58 118.64 2k0r h GLU 104 Ca -0.49 0.00 -0.10 0.00 -0.00 0.00 0.00 59.36 58.77 2k0r h GLU 104 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.94 2k0r h GLU 104 CO 0.65 0.00 -0.45 0.00 -0.00 0.00 0.00 179.01 179.21 2k0r h ALA 105 N 1.72 1.09 0.00 1.06 0.00 -1.93 -3.47 119.26 117.73 2k0r h ALA 105 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2k0r h ALA 105 Cb 0.43 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2k0r h ALA 105 CO -0.00 0.57 0.00 0.41 0.00 0.00 0.00 179.25 180.23 2k0r n GLY 106 N 0.04 0.97 3.15 0.00 0.00 0.48 -5.15 105.19 104.68 2k0r n GLY 106 Ca -0.01 0.00 -0.23 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 -0.66 1.27 -0.18 1.61 1.01 -1.16 -4.96 120.40 117.33 2k0r s VAL 107 Ca 0.00 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.20 2k0r s VAL 107 Cb 0.00 -1.07 0.03 0.00 0.00 0.00 0.00 36.38 35.33 2k0r s VAL 107 CO 0.00 0.28 -0.16 0.00 0.00 0.00 0.00 175.10 175.21 2k0r s TYR 109 N 1.35 2.85 0.90 0.00 1.13 -1.25 -5.06 117.35 117.26 2k0r s TYR 109 Ca 0.03 -0.17 -0.12 0.00 -1.41 0.00 0.00 57.07 55.41 2k0r s TYR 109 Cb -0.14 -1.30 0.13 0.00 -1.10 0.00 0.00 41.96 39.55 2k0r s TYR 109 CO -0.11 0.57 1.09 -1.25 -2.51 0.00 0.00 175.55 173.34 2k0r s PRO 110 N -3.54 1.26 0.58 -3.49 0.04 -1.26 -4.63 135.00 123.96 2k0r s PRO 110 Ca 0.31 0.82 -0.18 0.00 0.04 0.00 0.00 61.00 61.98 2k0r s PRO 110 Cb -0.07 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 2k0r s PRO 110 CO 0.21 -2.24 1.12 -1.25 0.04 0.00 0.00 177.00 174.89 2k0r s PRO 111 N -4.94 3.19 -0.22 0.56 0.04 -1.26 -4.81 135.00 127.56 2k0r s PRO 111 Ca 0.63 1.55 0.02 0.00 0.04 0.00 0.00 61.00 63.23 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 0.57 -0.97 -0.10 0.08 0.04 0.00 0.00 177.00 176.62 2k0r s VAL 112 N -1.94 1.83 -0.15 -0.36 1.01 0.02 -5.00 120.40 115.81 2k0r s VAL 112 Ca 0.71 -1.25 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 2k0r s VAL 112 Cb -0.23 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 2k0r s VAL 112 CO 0.31 0.09 0.12 1.51 0.00 0.00 0.00 175.10 177.13 2k0r s ASP 113 N 1.29 6.17 -0.15 3.32 -4.77 -1.26 -1.47 116.67 119.80 2k0r s ASP 113 Ca -0.04 0.34 -0.06 0.00 -3.30 0.00 0.00 52.55 49.49 2k0r s ASP 113 Cb -0.18 -2.02 0.07 0.00 -1.09 0.00 0.00 42.92 39.71 2k0r s ASP 113 CO -0.07 0.32 0.32 0.42 0.70 0.00 0.00 175.17 176.86 2k0r s THR 114 N -0.50 -0.39 -0.06 2.11 -4.23 0.11 -5.01 115.64 107.67 2k0r s THR 114 Ca 0.12 0.21 -0.03 0.00 -1.18 0.00 0.00 61.69 60.82 2k0r s THR 114 Cb -0.12 -0.51 -0.04 0.00 1.34 0.00 0.00 72.50 73.17 2k0r s THR 114 CO 0.02 0.09 0.07 -1.61 -0.54 0.00 0.00 174.62 172.65 2k0r s GLU 115 N 2.21 3.14 -0.10 3.99 8.01 -1.26 0.00 118.70 134.70 2k0r s GLU 115 Ca -0.02 -0.37 0.03 0.00 0.01 0.00 0.00 54.97 54.62 2k0r s GLU 115 Cb -0.11 -2.93 0.01 0.00 -4.31 0.00 0.00 34.13 26.79 2k0r s GLU 115 CO -0.10 0.70 -0.20 -0.06 0.01 0.00 0.00 175.26 175.61 2k0r s PHE 116 N -1.06 2.29 -0.41 1.61 0.08 0.02 -4.94 117.98 115.57 2k0r s PHE 116 Ca 0.18 -1.00 -0.24 0.00 0.12 0.00 0.00 56.93 55.99 2k0r s PHE 116 Cb -0.12 -1.57 0.02 0.00 -0.57 0.00 0.00 43.02 40.78 2k0r s PHE 116 CO 0.08 -0.44 0.86 -0.51 -0.10 0.00 0.00 175.22 175.11 2k0r s ASP 117 N 0.60 6.55 -0.19 1.36 1.01 -1.26 -0.21 116.67 124.52 2k0r s ASP 117 Ca -0.14 0.27 -0.17 0.00 0.71 0.00 0.00 52.55 53.23 2k0r s ASP 117 Cb -0.17 -2.43 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 2k0r s ASP 117 CO 0.04 -0.88 0.43 -0.63 0.21 0.00 0.00 175.17 174.34 2k0r s ILE 118 N 3.42 5.18 0.00 0.77 -1.09 -0.47 -4.90 121.20 124.10 2k0r s ILE 118 Ca 0.34 0.79 0.05 0.00 -2.23 0.00 0.00 60.65 59.61 2k0r s ILE 118 Cb -0.12 -3.76 0.09 0.00 -1.58 0.00 0.00 42.46 37.09 2k0r s ILE 118 CO 0.21 0.24 1.01 2.22 -1.23 0.00 0.00 174.94 177.40 2k0r n PHE 119 N 4.46 0.00 -0.24 3.97 1.16 -1.26 -1.77 117.46 123.78 2k0r n PHE 119 Ca -0.07 -0.47 0.00 0.00 -1.87 0.00 0.00 57.45 55.03 2k0r n PHE 119 Cb 0.51 0.35 0.00 0.00 -1.61 0.00 0.00 39.48 38.73 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 0.10 -0.14 0.02 4.97 0.00 -1.26 -5.00 105.19 103.88 2k0r n GLY 120 Ca -0.19 -0.84 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 -0.68 1.87 3.76 8.20 0.00 -1.26 -4.97 105.19 112.11 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 5.08 0.01 2.61 2.01 -1.26 -0.95 115.64 123.15 2k0r s THR 123 Ca 0.00 0.98 -0.01 0.00 0.31 0.00 0.00 61.69 62.97 2k0r s THR 123 Cb 0.00 -3.81 -0.01 0.00 0.01 0.00 0.00 72.50 68.69 2k0r s THR 123 CO 0.00 0.42 0.00 -0.31 -0.69 0.00 0.00 174.62 174.04 2k0r s TYR 124 N -0.02 0.13 0.03 4.92 1.51 -1.19 -4.98 117.35 117.75 2k0r s TYR 124 Ca 0.26 -0.26 -0.09 0.00 -1.01 0.00 0.00 57.07 55.97 2k0r s TYR 124 Cb -0.16 -0.10 0.00 0.00 -0.11 0.00 0.00 41.96 41.59 2k0r s TYR 124 CO 0.12 -0.12 0.18 -1.01 -1.11 0.00 0.00 175.55 173.61 2k0r s HIS 125 N -0.84 0.05 0.32 2.71 3.76 -1.26 -2.51 115.29 117.52 2k0r s HIS 125 Ca -0.09 -0.22 -0.28 0.00 -0.15 0.00 0.00 55.06 54.31 2k0r s HIS 125 Cb -0.06 -0.04 -0.10 0.00 1.11 0.00 0.00 32.58 33.50 2k0r s HIS 125 CO -0.00 -0.39 1.22 -1.25 -0.85 0.00 0.00 174.74 173.47 2k0r s PRO 126 N -2.19 4.40 -0.66 8.40 0.04 -1.26 -4.94 135.00 138.78 2k0r s PRO 126 Ca -0.08 2.03 -0.02 0.00 0.04 0.00 0.00 61.00 62.96 2k0r s PRO 126 Cb -0.03 -3.05 0.29 0.00 0.04 0.00 0.00 34.50 31.74 2k0r s PRO 126 CO -0.02 -0.08 2.22 0.00 0.04 0.00 0.00 177.00 179.16 2k0r n GLN 127 N 0.82 2.56 0.00 4.56 10.64 -1.26 -5.19 117.38 129.51 2k0r n GLN 127 Ca 0.00 -2.99 0.07 0.00 -1.83 0.00 0.00 57.00 52.25 2k0r n GLN 127 Cb 0.43 -2.18 0.43 0.00 -0.86 0.00 0.00 30.24 28.07 2k0r n GLN 127 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64