#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0r s ALA 2 N 0.00 -4.49 -0.35 3.04 0.00 -1.26 -5.05 121.76 113.64 2k0r s ALA 2 Ca 0.00 0.77 -0.15 0.00 0.00 0.00 0.00 51.96 52.57 2k0r s ALA 2 Cb 0.00 -2.99 0.02 0.00 0.00 0.00 0.00 23.12 20.15 2k0r s ALA 2 CO 0.00 -2.52 0.40 1.28 0.00 0.00 0.00 175.76 174.92 2k0r n LEU 3 N 2.86 -6.29 0.00 0.00 4.32 -1.26 -5.03 117.00 111.61 2k0r n LEU 3 Ca 0.10 0.59 0.00 0.00 -0.02 0.00 0.00 56.01 56.68 2k0r n LEU 3 Cb 0.64 -2.79 0.00 0.00 -1.62 0.00 0.00 43.42 39.65 2k0r n LEU 3 CO -0.11 -1.96 0.00 -0.67 -1.22 0.00 0.00 177.39 173.43 2k0r n ASP 4 N 0.16 0.00 -1.23 -1.43 2.03 -1.26 -5.13 116.55 109.69 2k0r n ASP 4 Ca 0.03 -0.98 0.00 0.00 0.52 0.00 0.00 54.79 54.37 2k0r n ASP 4 Cb 0.40 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 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 -3.00 0.00 -1.24 -1.67 0.00 -1.26 -4.60 120.51 108.74 2k0r n ALA 5 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 2k0r n ALA 5 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2k0r n ALA 5 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2k0r n ASN 6 N -2.40 -7.40 -0.64 0.00 2.85 -1.26 -4.19 115.26 102.23 2k0r n ASN 6 Ca 0.00 0.71 0.05 0.00 -0.11 0.00 0.00 54.58 55.23 2k0r n ASN 6 Cb 0.00 -3.89 0.14 0.00 1.24 0.00 0.00 39.78 37.27 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 -3.93 1.82 0.21 1.20 5.75 -1.26 -3.98 116.55 116.36 2k0r n ASP 7 Ca -0.02 -2.05 0.15 0.00 -0.01 0.00 0.00 54.79 52.86 2k0r n ASP 7 Cb 0.57 -0.26 0.66 0.00 -1.03 0.00 0.00 41.12 41.06 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 1.77 0.00 -9.76 -2.12 -0.00 -1.95 -3.43 115.31 99.82 2k0r h LEU 8 Ca 0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 57.88 57.35 2k0r h LEU 8 Cb 0.51 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.10 2k0r h LEU 8 CO 0.03 0.00 -0.57 -1.48 -0.00 0.00 0.00 178.44 176.41 2k0r s LEU 9 N -5.34 3.60 0.69 1.67 0.05 -1.26 -5.12 118.68 112.98 2k0r s LEU 9 Ca 0.01 -0.36 -0.14 0.00 0.05 0.00 0.00 54.13 53.70 2k0r s LEU 9 Cb 0.09 -2.15 0.01 0.00 -2.05 0.00 0.00 46.19 42.10 2k0r s LEU 9 CO 0.43 -0.00 1.11 -2.16 -0.55 0.00 0.00 176.35 175.18 2k0r s PRO 10 N -3.64 2.67 0.00 1.48 0.04 -1.26 -4.87 135.00 129.42 2k0r s PRO 10 Ca 0.32 1.34 0.14 0.00 0.04 0.00 0.00 61.00 62.84 2k0r s PRO 10 Cb -0.08 -1.94 0.68 0.00 0.04 0.00 0.00 34.50 33.21 2k0r s PRO 10 CO 0.23 -1.35 1.43 -0.35 0.04 0.00 0.00 177.00 177.00 2k0r n PRO 11 N -2.68 0.12 0.09 0.56 -0.04 -1.26 -1.62 135.00 130.16 2k0r n PRO 11 Ca 0.10 0.19 -0.20 0.00 -0.04 0.00 0.00 63.50 63.56 2k0r n PRO 11 Cb 0.52 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.36 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 0.54 -0.01 0.54 -0.00 -1.93 -3.31 114.58 110.40 2k0r h GLU 12 Ca 0.00 -0.72 0.00 0.00 -0.00 0.00 0.00 59.36 58.64 2k0r h GLU 12 Cb 0.19 0.24 0.00 0.00 -0.00 0.00 0.00 28.75 29.17 2k0r h GLU 12 CO 0.00 1.31 -0.38 0.36 -0.00 0.00 0.00 179.01 180.31 2k0r n LYS 13 N -3.74 1.50 0.24 1.06 -0.00 -1.10 -4.29 118.16 111.83 2k0r n LYS 13 Ca -0.12 -0.92 0.13 0.00 -0.00 0.00 0.00 58.31 57.40 2k0r n LYS 13 Cb 0.97 -1.36 0.46 0.00 -0.00 0.00 0.00 35.03 35.11 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 3.27 0.98 -3.60 0.58 0.00 -1.39 -3.43 119.26 115.67 2k0r h ALA 14 Ca 0.00 -0.10 -0.68 0.00 0.00 0.00 0.00 54.91 54.13 2k0r h ALA 14 Cb 0.64 -0.02 -0.31 0.00 0.00 0.00 0.00 17.79 18.11 2k0r h ALA 14 CO 0.00 0.13 -0.86 -0.06 0.00 0.00 0.00 179.25 178.47 2k0r s PHE 15 N -3.52 2.57 -0.65 0.00 0.08 -1.26 0.03 117.98 115.23 2k0r s PHE 15 Ca 0.02 -0.82 0.05 0.00 0.12 0.00 0.00 56.93 56.29 2k0r s PHE 15 Cb 0.08 -1.69 0.16 0.00 -0.57 0.00 0.00 43.02 41.00 2k0r s PHE 15 CO 0.61 -0.28 0.43 0.08 -0.10 0.00 0.00 175.22 175.96 2k0r s VAL 16 N 0.12 2.84 0.29 -0.44 1.01 0.77 -4.92 120.40 120.07 2k0r s VAL 16 Ca -0.11 -3.99 -0.29 0.00 0.00 0.00 0.00 61.98 57.59 2k0r s VAL 16 Cb -0.16 -2.89 -0.10 0.00 0.00 0.00 0.00 36.38 33.23 2k0r s VAL 16 CO 0.06 -0.95 1.24 -2.16 0.00 0.00 0.00 175.10 173.30 2k0r s PRO 17 N -1.11 4.45 -0.01 2.72 0.04 -1.26 -1.62 135.00 138.21 2k0r s PRO 17 Ca 0.23 2.05 -0.00 0.00 0.04 0.00 0.00 61.00 63.32 2k0r s PRO 17 Cb -0.11 -3.13 0.01 0.00 0.04 0.00 0.00 34.50 31.31 2k0r s PRO 17 CO -0.12 -0.07 0.02 -2.00 0.04 0.00 0.00 177.00 174.88 2k0r s GLU 18 N -1.39 -0.01 0.05 4.56 -6.30 0.13 -4.87 118.70 110.87 2k0r s GLU 18 Ca 0.49 0.09 0.04 0.00 -2.50 0.00 0.00 54.97 53.09 2k0r s GLU 18 Cb -0.37 -0.10 -0.04 0.00 0.00 0.00 0.00 34.13 33.63 2k0r s GLU 18 CO 0.47 -0.07 -0.04 -1.17 0.02 0.00 0.00 175.26 174.47 2k0r s LEU 19 N 0.44 3.30 -0.26 2.70 1.98 -1.01 -0.91 118.68 124.92 2k0r s LEU 19 Ca -0.04 -0.19 -0.01 0.00 -2.89 0.00 0.00 54.13 51.01 2k0r s LEU 19 Cb -0.05 -1.99 0.13 0.00 0.66 0.00 0.00 46.19 44.94 2k0r s LEU 19 CO -0.01 0.22 0.34 0.00 -1.89 0.00 0.00 176.35 175.01 2k0r s ALA 20 N -1.17 -0.81 0.17 5.97 0.00 0.87 -3.14 121.76 123.65 2k0r s ALA 20 Ca 0.21 0.33 -0.30 0.00 0.00 0.00 0.00 51.96 52.21 2k0r s ALA 20 Cb -0.11 -1.74 -0.07 0.00 0.00 0.00 0.00 23.12 21.20 2k0r s ALA 20 CO 0.13 -1.48 0.94 0.08 0.00 0.00 0.00 175.76 175.43 2k0r s VAL 21 N 2.46 4.30 0.35 0.00 1.01 -0.07 -0.16 120.40 128.29 2k0r s VAL 21 Ca 0.10 2.06 0.01 0.00 0.00 0.00 0.00 61.98 64.15 2k0r s VAL 21 Cb -0.14 -4.31 -0.00 0.00 0.00 0.00 0.00 36.38 31.92 2k0r s VAL 21 CO -0.23 0.41 0.04 0.00 0.00 0.00 0.00 175.10 175.32 2k0r n ALA 22 N 2.15 0.35 0.18 5.51 0.00 0.12 -4.73 120.51 124.10 2k0r n ALA 22 Ca -0.00 -1.63 0.12 0.00 0.00 0.00 0.00 53.44 51.93 2k0r n ALA 22 Cb 0.48 0.95 0.02 0.00 0.00 0.00 0.00 19.45 20.91 2k0r n ALA 22 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2k0r h ASP 23 N 1.00 0.00 -0.17 0.00 3.58 -2.02 -3.33 116.42 115.47 2k0r h ASP 23 Ca -0.28 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.12 2k0r h ASP 23 Cb 0.92 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.97 2k0r h ASP 23 CO 0.47 0.02 0.00 0.47 -2.88 0.00 0.00 179.24 177.32 2k0r n ASP 24 N -2.58 2.95 0.00 2.28 8.00 -1.26 -5.03 116.55 120.91 2k0r n ASP 24 Ca 0.00 -2.63 0.00 0.00 0.71 0.00 0.00 54.79 52.88 2k0r n ASP 24 Cb 0.53 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 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 -0.51 0.37 3.26 0.44 0.00 -1.25 -3.30 105.19 104.19 2k0r n GLY 25 Ca 0.14 -1.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.13 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 1.84 -0.11 1.61 1.01 -0.29 0.13 120.40 122.38 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 -1.53 -0.00 0.00 0.00 0.00 0.00 36.38 34.84 2k0r s VAL 26 CO 0.00 0.52 -0.22 0.20 0.00 0.00 0.00 175.10 175.60 2k0r s ASN 27 N -0.47 3.29 -0.09 3.32 -0.87 0.78 0.26 114.94 121.17 2k0r s ASN 27 Ca 0.07 -0.51 0.02 0.00 -1.57 0.00 0.00 52.86 50.87 2k0r s ASN 27 Cb -0.10 -1.46 0.01 0.00 -0.02 0.00 0.00 41.25 39.69 2k0r s ASN 27 CO -0.00 0.16 -0.14 0.54 -2.57 0.00 0.00 177.10 175.09 2k0r s VAL 28 N 0.35 1.35 -0.05 1.60 0.11 -0.68 -0.09 120.40 122.99 2k0r s VAL 28 Ca -0.17 -0.57 0.03 0.00 -2.93 0.00 0.00 61.98 58.34 2k0r s VAL 28 Cb -0.17 -1.24 0.01 0.00 -1.53 0.00 0.00 36.38 33.44 2k0r s VAL 28 CO 0.08 0.41 -0.14 -0.60 -3.33 0.00 0.00 175.10 171.53 2k0r s ARG 29 N 0.89 1.64 -0.11 1.54 3.00 -0.09 -0.11 118.95 125.71 2k0r s ARG 29 Ca -0.09 -0.47 0.02 0.00 -1.00 0.00 0.00 55.73 54.19 2k0r s ARG 29 Cb -0.15 -1.39 0.01 0.00 0.00 0.00 0.00 34.95 33.42 2k0r s ARG 29 CO 0.00 0.11 -0.15 -0.59 0.00 0.00 0.00 175.30 174.67 2k0r s PHE 30 N 0.39 2.00 -0.34 5.12 -0.71 0.63 0.19 117.98 125.26 2k0r s PHE 30 Ca -0.10 -0.95 -0.21 0.00 -1.04 0.00 0.00 56.93 54.64 2k0r s PHE 30 Cb -0.13 -1.44 0.00 0.00 -1.21 0.00 0.00 43.02 40.24 2k0r s PHE 30 CO 0.03 -0.49 0.67 1.03 -1.34 0.00 0.00 175.22 175.12 2k0r s ARG 31 N 1.00 3.76 0.04 1.99 3.00 -0.64 -2.89 118.95 125.21 2k0r s ARG 31 Ca -0.06 0.18 -0.06 0.00 0.00 0.00 0.00 55.73 55.80 2k0r s ARG 31 Cb -0.15 -3.79 -0.05 0.00 0.00 0.00 0.00 34.95 30.97 2k0r s ARG 31 CO -0.02 -0.72 0.28 0.42 0.00 0.00 0.00 175.30 175.27 2k0r s ILE 32 N 2.77 5.28 0.57 1.52 1.01 0.89 -0.17 121.20 133.08 2k0r s ILE 32 Ca 0.26 0.08 -0.20 0.00 0.00 0.00 0.00 60.65 60.80 2k0r s ILE 32 Cb -0.14 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 2k0r s ILE 32 CO 0.14 0.28 1.25 0.00 0.00 0.00 0.00 174.94 176.61 2k0r s ALA 33 N -1.39 2.65 0.05 9.38 0.00 0.10 -4.19 121.76 128.37 2k0r s ALA 33 Ca 0.31 1.11 0.30 0.00 0.00 0.00 0.00 51.96 53.68 2k0r s ALA 33 Cb -0.13 -3.49 1.55 0.00 0.00 0.00 0.00 23.12 21.05 2k0r s ALA 33 CO 0.19 -1.21 1.91 0.22 0.00 0.00 0.00 175.76 176.87 2k0r h ASP 34 N 1.15 0.00 -0.60 0.00 3.58 -1.81 -0.11 116.42 118.63 2k0r h ASP 34 Ca -0.50 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.95 2k0r h ASP 34 Cb 1.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.35 2k0r h ASP 34 CO 0.56 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.53 2k0r n GLY 35 N -0.98 1.88 3.25 -0.78 0.00 -1.26 -4.63 105.19 102.67 2k0r n GLY 35 Ca -0.01 -0.66 -0.14 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.24 1.23 -0.21 1.61 2.02 -0.05 -0.90 117.35 119.80 2k0r s TYR 36 Ca 0.41 -0.97 -0.16 0.00 -0.37 0.00 0.00 57.07 55.97 2k0r s TYR 36 Cb 0.22 -0.70 0.06 0.00 -0.40 0.00 0.00 41.96 41.14 2k0r s TYR 36 CO 0.27 -0.16 0.55 1.52 -1.57 0.00 0.00 175.55 176.16 2k0r s TYR 37 N -3.59 -0.71 -0.03 2.71 -0.85 0.62 -4.63 117.35 110.85 2k0r s TYR 37 Ca 0.23 1.59 0.06 0.00 -0.52 0.00 0.00 57.07 58.42 2k0r s TYR 37 Cb 0.06 0.32 -0.02 0.00 0.38 0.00 0.00 41.96 42.69 2k0r s TYR 37 CO 0.03 -0.36 -0.20 -1.64 -1.52 0.00 0.00 175.55 171.87 2k0r s MET 38 N 0.89 2.31 -0.05 -3.49 -1.94 -1.07 -0.10 119.30 115.84 2k0r s MET 38 Ca -0.05 -0.81 -0.30 0.00 -1.71 0.00 0.00 55.69 52.82 2k0r s MET 38 Cb -0.05 -2.21 -0.03 0.00 2.01 0.00 0.00 34.83 34.55 2k0r s MET 38 CO -0.08 0.59 1.06 0.71 -0.01 0.00 0.00 175.02 177.29 2k0r s TYR 39 N -0.68 3.48 0.36 -0.03 2.02 -1.19 -0.98 117.35 120.34 2k0r s TYR 39 Ca 0.11 1.52 0.14 0.00 -0.37 0.00 0.00 57.07 58.46 2k0r s TYR 39 Cb -0.10 -3.24 0.97 0.00 -0.40 0.00 0.00 41.96 39.19 2k0r s TYR 39 CO -0.00 -0.49 1.78 0.37 -1.57 0.00 0.00 175.55 175.64 2k0r h GLN 40 N 7.06 0.51 -0.12 -0.62 4.15 -0.79 0.44 115.11 125.74 2k0r h GLN 40 Ca -0.35 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 58.94 2k0r h GLN 40 Cb 1.18 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.74 2k0r h GLN 40 CO 0.83 0.34 -0.34 0.00 -1.93 0.00 0.00 178.83 177.72 2k0r h ALA 41 N 1.64 1.21 0.00 3.38 0.00 -1.92 -2.74 119.26 120.83 2k0r h ALA 41 Ca 0.57 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 2k0r h ALA 41 Cb 1.24 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2k0r h ALA 41 CO -0.32 0.53 -0.65 0.87 0.00 0.00 0.00 179.25 179.67 2k0r h LYS 42 N 0.20 0.00 -6.87 0.00 1.79 -0.48 -3.45 116.57 107.77 2k0r h LYS 42 Ca 0.03 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.97 2k0r h LYS 42 Cb 0.70 0.00 0.08 0.00 -1.58 0.00 0.00 32.23 31.43 2k0r h LYS 42 CO 0.05 0.65 0.73 0.42 -1.08 0.00 0.00 179.45 180.22 2k0r s ILE 43 N -3.26 2.43 -0.01 1.86 -1.09 -0.45 -4.47 121.20 116.20 2k0r s ILE 43 Ca 0.00 0.41 -0.00 0.00 -2.23 0.00 0.00 60.65 58.83 2k0r s ILE 43 Cb 0.11 -3.26 0.02 0.00 -1.58 0.00 0.00 42.46 37.74 2k0r s ILE 43 CO 0.76 0.09 0.03 -0.69 -1.23 0.00 0.00 174.94 173.89 2k0r s VAL 44 N -0.85 -0.03 -0.28 2.92 1.01 0.20 -4.97 120.40 118.40 2k0r s VAL 44 Ca 0.53 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.57 2k0r s VAL 44 Cb -0.43 -0.06 0.16 0.00 0.00 0.00 0.00 36.38 36.05 2k0r s VAL 44 CO 0.54 0.04 0.56 -0.83 0.00 0.00 0.00 175.10 175.42 2k0r s GLY 45 N 0.53 -0.77 -0.01 4.51 0.00 -1.25 -0.06 107.32 110.27 2k0r s GLY 45 Ca -0.04 1.81 0.00 0.00 0.00 0.00 0.00 44.72 46.49 2k0r s GLY 45 CO -0.02 3.09 0.01 1.25 0.00 0.00 0.00 173.10 177.43 2k0r s LYS 46 N 2.80 0.04 -0.04 2.90 2.36 -0.44 -4.74 119.74 122.62 2k0r s LYS 46 Ca 0.10 0.06 -0.00 0.00 -2.55 0.00 0.00 55.97 53.57 2k0r s LYS 46 Cb -0.14 -0.14 0.03 0.00 -1.05 0.00 0.00 37.83 36.52 2k0r s LYS 46 CO -0.19 -0.06 0.02 -0.08 1.55 0.00 0.00 175.35 176.59 2k0r s THR 47 N 0.43 0.09 0.00 3.43 -1.32 -1.26 0.24 115.64 117.25 2k0r s THR 47 Ca -0.04 0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.64 2k0r s THR 47 Cb -0.05 -0.24 0.00 0.00 -1.51 0.00 0.00 72.50 70.69 2k0r s THR 47 CO -0.01 0.16 0.00 -0.46 -2.21 0.00 0.00 174.62 172.10 2k0r n ASN 48 N 4.56 0.00 -0.04 8.08 0.23 0.01 -4.43 115.26 123.67 2k0r n ASN 48 Ca -0.18 0.00 -0.09 0.00 -0.53 0.00 0.00 54.58 53.77 2k0r n ASN 48 Cb 0.50 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 38.27 2k0r n ASN 48 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 2k0r h PRO 49 N 0.00 0.67 0.00 -0.53 0.13 -1.83 -2.05 132.00 128.39 2k0r h PRO 49 Ca 0.00 -0.35 -0.19 0.00 -0.87 0.00 0.00 66.00 64.59 2k0r h PRO 49 Cb 0.00 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 31.00 2k0r h PRO 49 CO 0.00 0.96 -0.33 0.00 -0.23 0.00 0.00 178.00 178.40 2k0r n ALA 50 N -2.52 -1.78 -3.65 -0.56 0.00 -1.26 -4.76 120.51 105.99 2k0r n ALA 50 Ca -0.02 -1.12 -0.21 0.00 0.00 0.00 0.00 53.44 52.10 2k0r n ALA 50 Cb 0.53 -1.81 0.04 0.00 0.00 0.00 0.00 19.45 18.22 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 1.06 -1.35 -0.12 0.00 -0.08 -1.26 -4.92 116.55 109.89 2k0r n ASP 51 Ca 0.05 -0.78 -0.16 0.00 -1.51 0.00 0.00 54.79 52.39 2k0r n ASP 51 Cb 0.68 -4.27 -0.12 0.00 2.34 0.00 0.00 41.12 39.76 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 -4.25 2.50 -4.54 -2.67 4.77 -1.26 -4.99 117.00 106.55 2k0r n LEU 52 Ca -0.30 -0.11 -0.39 0.00 -0.03 0.00 0.00 56.01 55.18 2k0r n LEU 52 Cb 0.68 -0.64 0.03 0.00 -2.33 0.00 0.00 43.42 41.16 2k0r n LEU 52 CO 0.67 0.84 0.33 -0.11 -1.33 0.00 0.00 177.39 177.79 2k0r n LEU 53 N -3.13 1.98 0.00 2.23 7.94 -1.26 -4.11 117.00 120.65 2k0r n LEU 53 Ca -0.41 0.85 0.00 0.00 -1.11 0.00 0.00 56.01 55.34 2k0r n LEU 53 Cb 0.98 -1.27 0.00 0.00 0.53 0.00 0.00 43.42 43.66 2k0r n LEU 53 CO 0.27 -2.29 0.00 0.61 -1.11 0.00 0.00 177.39 174.87 2k0r n GLY 54 N 1.49 -0.97 3.06 -3.96 0.00 -1.10 -4.80 105.19 98.91 2k0r n GLY 54 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 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 0.52 0.58 1.61 -0.21 -1.26 -5.05 119.66 115.85 2k0r s GLN 55 Ca 0.00 -1.01 -0.18 0.00 0.02 0.00 0.00 55.36 54.19 2k0r s GLN 55 Cb 0.00 0.14 -0.04 0.00 1.00 0.00 0.00 33.01 34.12 2k0r s GLN 55 CO 0.00 -0.08 1.12 -1.25 -2.12 0.00 0.00 175.29 172.96 2k0r s PRO 56 N -3.03 3.17 -0.42 2.91 0.04 -1.26 -4.24 135.00 132.16 2k0r s PRO 56 Ca -0.01 1.54 0.02 0.00 0.04 0.00 0.00 61.00 62.59 2k0r s PRO 56 Cb 0.01 -1.99 0.13 0.00 0.04 0.00 0.00 34.50 32.70 2k0r s PRO 56 CO -0.06 -0.98 0.22 0.45 0.04 0.00 0.00 177.00 176.67 2k0r s SER 57 N -2.04 3.66 0.60 6.66 0.15 0.11 -4.94 113.70 117.90 2k0r s SER 57 Ca 0.71 -2.52 -0.19 0.00 0.70 0.00 0.00 55.95 54.65 2k0r s SER 57 Cb -0.23 -1.00 -0.03 0.00 -1.71 0.00 0.00 66.02 63.06 2k0r s SER 57 CO 0.32 -0.28 1.31 -0.36 1.20 0.00 0.00 173.24 175.42 2k0r s PHE 58 N 0.50 2.19 -1.64 3.44 0.08 -1.26 -0.10 117.98 121.18 2k0r s PHE 58 Ca 0.17 1.45 0.27 0.00 0.12 0.00 0.00 56.93 58.94 2k0r s PHE 58 Cb -0.24 -3.71 1.46 0.00 -0.57 0.00 0.00 43.02 39.96 2k0r s PHE 58 CO -0.01 -2.84 1.94 0.43 -0.10 0.00 0.00 175.22 174.64 2k0r n SER 59 N -1.55 0.00 -2.17 1.36 7.64 0.96 -4.86 113.62 115.00 2k0r n SER 59 Ca 0.14 -0.38 -0.01 0.00 1.01 0.00 0.00 58.87 59.62 2k0r n SER 59 Cb 0.47 -0.18 -0.01 0.00 -1.01 0.00 0.00 64.21 63.48 2k0r n SER 59 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2k0r n LYS 60 N -1.18 -4.15 0.00 1.43 3.00 -1.26 -5.00 118.16 111.01 2k0r n LYS 60 Ca 0.16 3.12 0.00 0.00 -0.00 0.00 0.00 58.31 61.59 2k0r n LYS 60 Cb 0.17 -4.05 0.00 0.00 0.00 0.00 0.00 35.03 31.15 2k0r n LYS 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k0r n GLY 61 N 1.47 0.67 2.94 3.14 0.00 -1.26 -5.08 105.19 107.07 2k0r n GLY 61 Ca -0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 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 1.65 0.59 0.06 1.61 2.12 -0.36 -4.93 118.70 119.43 2k0r s GLU 62 Ca 0.00 -0.16 -0.30 0.00 0.36 0.00 0.00 54.97 54.87 2k0r s GLU 62 Cb 0.00 -0.59 -0.05 0.00 0.26 0.00 0.00 34.13 33.75 2k0r s GLU 62 CO 0.00 0.05 0.97 -1.83 -0.54 0.00 0.00 175.26 173.91 2k0r s GLU 63 N 0.26 4.63 0.04 4.30 4.04 -1.26 -1.04 118.70 129.67 2k0r s GLU 63 Ca -0.03 1.44 -0.08 0.00 0.04 0.00 0.00 54.97 56.34 2k0r s GLU 63 Cb -0.07 -3.41 -0.00 0.00 0.02 0.00 0.00 34.13 30.66 2k0r s GLU 63 CO -0.00 0.08 0.16 -1.59 -1.84 0.00 0.00 175.26 172.07 2k0r s LYS 64 N 0.48 0.65 -0.11 -4.83 0.00 -0.57 -4.97 119.74 110.39 2k0r s LYS 64 Ca 0.49 -0.66 0.00 0.00 0.00 0.00 0.00 55.97 55.81 2k0r s LYS 64 Cb -0.22 0.26 -0.02 0.00 0.00 0.00 0.00 37.83 37.85 2k0r s LYS 64 CO 0.29 -0.18 -0.12 -1.21 0.00 0.00 0.00 175.35 174.13 2k0r s GLU 65 N -2.52 3.15 0.00 1.78 2.02 -1.26 -1.27 118.70 120.61 2k0r s GLU 65 Ca -0.05 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 54.27 2k0r s GLU 65 Cb -0.01 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.62 2k0r s GLU 65 CO -0.04 0.35 0.00 -3.47 0.02 0.00 0.00 175.26 172.12 2k0r n ASP 66 N 3.13 0.00 -0.23 -0.19 2.03 -0.43 -4.91 116.55 115.95 2k0r n ASP 66 Ca -0.18 -0.89 0.06 0.00 0.52 0.00 0.00 54.79 54.30 2k0r n ASP 66 Cb 0.53 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.92 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 2.12 0.00 -0.67 0.28 -1.26 -2.52 120.64 118.59 2k0r n GLU 67 Ca 0.00 -0.58 0.14 0.00 -0.16 0.00 0.00 57.16 56.56 2k0r n GLU 67 Cb 0.00 -1.13 0.58 0.00 1.43 0.00 0.00 31.44 32.31 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 -0.36 0.00 0.00 -1.84 3.01 -1.26 -4.66 117.46 112.35 2k0r n PHE 68 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 2k0r n PHE 68 Cb 0.24 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 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 -0.07 0.00 0.00 1.38 -1.74 -1.26 -5.16 117.46 110.61 2k0r n PHE 69 Ca 0.19 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.08 2k0r n PHE 69 Cb 0.32 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.32 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 0.25 3.44 4.97 0.00 -1.05 -4.91 105.19 107.48 2k0r n GLY 70 Ca 0.00 -1.90 -0.44 0.00 0.00 0.00 0.00 46.02 43.68 2k0r n GLY 70 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k0r s ARG 71 N 0.00 3.14 0.21 1.61 3.00 -1.26 -1.31 118.95 124.35 2k0r s ARG 71 Ca 0.00 -0.87 -0.14 0.00 0.00 0.00 0.00 55.73 54.72 2k0r s ARG 71 Cb 0.00 -4.16 0.00 0.00 0.00 0.00 0.00 34.95 30.80 2k0r s ARG 71 CO 0.00 -1.47 0.46 -1.14 0.00 0.00 0.00 175.30 173.15 2k0r s GLN 72 N 3.18 1.42 0.13 3.54 0.74 -0.39 -4.94 119.66 123.33 2k0r s GLN 72 Ca 0.18 -1.11 -0.30 0.00 0.05 0.00 0.00 55.36 54.18 2k0r s GLN 72 Cb -0.19 0.47 -0.06 0.00 1.10 0.00 0.00 33.01 34.33 2k0r s GLN 72 CO 0.11 -0.58 0.96 0.99 -0.55 0.00 0.00 175.29 176.22 2k0r s THR 73 N -3.96 4.43 0.30 -0.34 2.01 -1.26 -1.51 115.64 115.31 2k0r s THR 73 Ca 0.17 2.07 0.04 0.00 0.31 0.00 0.00 61.69 64.27 2k0r s THR 73 Cb -0.00 -4.32 -0.03 0.00 0.01 0.00 0.00 72.50 68.16 2k0r s THR 73 CO 0.04 0.34 0.26 0.68 -0.69 0.00 0.00 174.62 175.25 2k0r s VAL 74 N -0.15 0.00 -0.06 3.82 -7.23 -0.21 -0.05 120.40 116.52 2k0r s VAL 74 Ca 0.46 -1.95 0.06 0.00 -1.81 0.00 0.00 61.98 58.74 2k0r s VAL 74 Cb -0.24 -2.51 -0.01 0.00 0.56 0.00 0.00 36.38 34.18 2k0r s VAL 74 CO 0.30 0.00 -0.24 -0.31 -0.31 0.00 0.00 175.10 174.54 2k0r s TYR 75 N -3.61 2.46 -1.45 2.82 2.02 -0.15 -1.22 117.35 118.22 2k0r s TYR 75 Ca 0.39 -0.66 0.18 0.00 -0.37 0.00 0.00 57.07 56.61 2k0r s TYR 75 Cb 0.03 -1.60 -0.05 0.00 -0.40 0.00 0.00 41.96 39.95 2k0r s TYR 75 CO 0.22 -0.17 0.88 -2.39 -1.57 0.00 0.00 175.55 172.52 2k0r n HIS 76 N 2.88 0.00 0.00 2.71 1.44 -1.26 -2.61 115.22 118.38 2k0r n HIS 76 Ca -0.17 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.54 2k0r n HIS 76 Cb 0.52 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.63 2k0r n HIS 76 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2k0r n HIS 77 N -0.39 -0.75 -3.26 -1.40 -0.00 -1.26 -4.22 115.22 103.94 2k0r n HIS 77 Ca 0.06 0.03 -0.39 0.00 -0.00 0.00 0.00 57.72 57.43 2k0r n HIS 77 Cb 0.35 0.21 -0.06 0.00 -0.00 0.00 0.00 29.99 30.50 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 4.27 -0.36 1.57 -1.05 -1.26 -0.07 118.70 119.80 2k0r s GLU 78 Ca 0.00 0.64 0.06 0.00 -0.15 0.00 0.00 54.97 55.52 2k0r s GLU 78 Cb 0.00 -3.34 0.18 0.00 -0.44 0.00 0.00 34.13 30.53 2k0r s GLU 78 CO 0.00 0.37 0.57 0.00 0.95 0.00 0.00 175.26 177.16 2k0r s ALA 79 N -0.17 -2.09 0.08 -0.84 0.00 -1.14 -4.72 121.76 112.89 2k0r s ALA 79 Ca 0.29 0.37 0.08 0.00 0.00 0.00 0.00 51.96 52.70 2k0r s ALA 79 Cb -0.17 -2.55 -0.03 0.00 0.00 0.00 0.00 23.12 20.37 2k0r s ALA 79 CO 0.15 -2.04 -0.21 -1.14 0.00 0.00 0.00 175.76 172.52 2k0r s GLN 80 N 2.19 1.23 -0.01 0.00 0.74 -1.26 -0.27 119.66 122.29 2k0r s GLN 80 Ca 0.14 -1.07 0.02 0.00 0.05 0.00 0.00 55.36 54.49 2k0r s GLN 80 Cb -0.08 -1.44 -0.00 0.00 1.10 0.00 0.00 33.01 32.59 2k0r s GLN 80 CO -0.15 0.35 -0.07 0.08 -0.55 0.00 0.00 175.29 174.95 2k0r s VAL 81 N -1.01 0.54 -0.17 1.34 1.01 0.84 -0.03 120.40 122.92 2k0r s VAL 81 Ca 0.07 -0.29 -0.07 0.00 0.00 0.00 0.00 61.98 61.69 2k0r s VAL 81 Cb -0.09 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 2k0r s VAL 81 CO 0.03 0.16 0.09 0.00 0.00 0.00 0.00 175.10 175.37 2k0r s ALA 82 N -0.12 3.54 -0.68 5.51 0.00 0.86 -1.68 121.76 129.19 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 -0.03 -1.95 0.17 0.00 0.00 0.00 0.00 23.12 21.31 2k0r s ALA 82 CO -0.00 0.29 0.48 -0.06 0.00 0.00 0.00 175.76 176.47 2k0r s PHE 83 N 0.01 3.51 0.12 0.00 0.08 0.14 0.05 117.98 121.89 2k0r s PHE 83 Ca 0.07 -3.13 -0.31 0.00 0.12 0.00 0.00 56.93 53.69 2k0r s PHE 83 Cb -0.12 -2.94 -0.08 0.00 -0.57 0.00 0.00 43.02 39.32 2k0r s PHE 83 CO 0.00 -0.69 1.36 -1.25 -0.10 0.00 0.00 175.22 174.54 2k0r s PRO 84 N -0.90 4.34 0.80 0.24 0.04 -1.26 -1.14 135.00 137.13 2k0r s PRO 84 Ca 0.22 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 63.17 2k0r s PRO 84 Cb -0.13 -3.25 0.08 0.00 0.04 0.00 0.00 34.50 31.23 2k0r s PRO 84 CO -0.09 -0.39 1.15 0.71 0.04 0.00 0.00 177.00 178.42 2k0r s TYR 85 N 0.95 2.07 -0.01 0.56 2.02 -1.21 -2.70 117.35 119.04 2k0r s TYR 85 Ca 0.63 1.66 0.04 0.00 -0.37 0.00 0.00 57.07 59.03 2k0r s TYR 85 Cb -0.36 -3.29 -0.06 0.00 -0.40 0.00 0.00 41.96 37.85 2k0r s TYR 85 CO 0.31 -2.40 0.09 0.00 -1.57 0.00 0.00 175.55 171.98 2k0r n ALA 86 N -3.45 2.14 -3.43 3.71 0.00 -1.26 -4.52 120.51 113.71 2k0r n ALA 86 Ca 0.11 -0.10 -0.14 0.00 0.00 0.00 0.00 53.44 53.32 2k0r n ALA 86 Cb 0.52 -0.13 -0.09 0.00 0.00 0.00 0.00 19.45 19.75 2k0r n ALA 86 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2k0r s LYS 87 N -2.27 0.65 0.19 0.00 2.47 -1.26 -4.97 119.74 114.53 2k0r s LYS 87 Ca -0.01 0.67 -0.33 0.00 -1.56 0.00 0.00 55.97 54.74 2k0r s LYS 87 Cb 0.03 0.31 -0.14 0.00 -1.46 0.00 0.00 37.83 36.56 2k0r s LYS 87 CO 0.17 -0.09 1.40 0.00 0.16 0.00 0.00 175.35 176.99 2k0r n ALA 88 N 2.62 0.57 -3.73 3.13 0.00 -1.26 -4.99 120.51 116.86 2k0r n ALA 88 Ca -0.14 0.44 -0.17 0.00 0.00 0.00 0.00 53.44 53.57 2k0r n ALA 88 Cb 0.56 -2.22 -0.17 0.00 0.00 0.00 0.00 19.45 17.62 2k0r n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2k0r s VAL 89 N 0.25 0.02 -1.05 0.00 1.01 -1.26 -5.01 120.40 114.36 2k0r s VAL 89 Ca 0.74 0.23 0.20 0.00 0.00 0.00 0.00 61.98 63.15 2k0r s VAL 89 Cb -0.73 -0.18 -0.19 0.00 0.00 0.00 0.00 36.38 35.28 2k0r s VAL 89 CO 0.46 0.14 0.86 0.61 0.00 0.00 0.00 175.10 177.17 2k0r n GLY 90 N 4.53 -0.75 3.98 4.51 0.00 -1.26 -4.97 105.19 111.23 2k0r n GLY 90 Ca -0.20 -0.56 -0.20 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.79 3.18 0.51 1.61 2.02 -1.26 -5.09 118.70 116.88 2k0r s GLU 91 Ca 0.09 -0.93 -0.21 0.00 0.02 0.00 0.00 54.97 53.94 2k0r s GLU 91 Cb 0.15 -2.82 -0.06 0.00 0.10 0.00 0.00 34.13 31.50 2k0r s GLU 91 CO 0.77 0.12 1.14 -1.25 0.02 0.00 0.00 175.26 176.07 2k0r s PRO 92 N -4.16 3.52 0.34 0.39 0.04 -1.26 -4.96 135.00 128.91 2k0r s PRO 92 Ca 0.43 1.67 0.06 0.00 0.04 0.00 0.00 61.00 63.20 2k0r s PRO 92 Cb -0.09 -2.16 -0.07 0.00 0.04 0.00 0.00 34.50 32.22 2k0r s PRO 92 CO 0.31 -0.73 0.00 1.52 0.04 0.00 0.00 177.00 178.14 2k0r s TYR 93 N -1.69 2.17 0.02 0.56 1.13 -0.79 -4.64 117.35 114.13 2k0r s TYR 93 Ca 0.69 -0.77 0.02 0.00 -1.41 0.00 0.00 57.07 55.60 2k0r s TYR 93 Cb -0.26 -1.41 -0.04 0.00 -1.10 0.00 0.00 41.96 39.16 2k0r s TYR 93 CO 0.30 0.26 0.04 0.21 -2.51 0.00 0.00 175.55 173.85 2k0r s LYS 94 N -3.77 2.85 0.06 -3.49 2.36 -0.77 -1.41 119.74 115.56 2k0r s LYS 94 Ca 0.34 -0.62 0.09 0.00 -2.55 0.00 0.00 55.97 53.23 2k0r s LYS 94 Cb 0.07 -2.72 -0.03 0.00 -1.05 0.00 0.00 37.83 34.11 2k0r s LYS 94 CO 0.16 0.61 -0.25 -1.17 1.55 0.00 0.00 175.35 176.24 2k0r s LEU 95 N -1.85 2.26 -0.13 5.43 0.20 0.80 -0.81 118.68 124.57 2k0r s LEU 95 Ca 0.23 -0.60 -0.02 0.00 0.69 0.00 0.00 54.13 54.43 2k0r s LEU 95 Cb -0.12 -1.31 0.04 0.00 -0.43 0.00 0.00 46.19 44.38 2k0r s LEU 95 CO 0.14 0.24 0.03 -0.69 -0.29 0.00 0.00 176.35 175.79 2k0r s VAL 96 N -0.87 0.33 -0.06 1.68 1.01 0.14 -0.78 120.40 121.85 2k0r s VAL 96 Ca 0.13 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 61.99 2k0r s VAL 96 Cb -0.10 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 2k0r s VAL 96 CO 0.03 -0.00 -0.19 -0.76 0.00 0.00 0.00 175.10 174.18 2k0r s LEU 97 N 1.97 2.42 -0.05 3.92 2.01 0.94 -1.33 118.68 128.56 2k0r s LEU 97 Ca 0.02 -0.36 -0.00 0.00 0.01 0.00 0.00 54.13 53.80 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 -0.00 -0.89 1.01 0.00 0.00 176.35 176.68 2k0r s THR 98 N -0.36 0.30 -0.02 5.49 2.01 0.91 0.00 115.64 123.97 2k0r s THR 98 Ca 0.03 0.09 0.07 0.00 0.31 0.00 0.00 61.69 62.19 2k0r s THR 98 Cb -0.12 -0.42 -0.02 0.00 0.01 0.00 0.00 72.50 71.95 2k0r s THR 98 CO 0.02 0.21 -0.25 -0.31 -0.69 0.00 0.00 174.62 173.60 2k0r s TYR 99 N 1.45 2.24 -0.22 4.92 1.51 -0.49 -0.62 117.35 126.13 2k0r s TYR 99 Ca -0.03 -0.46 -0.10 0.00 -1.01 0.00 0.00 57.07 55.46 2k0r s TYR 99 Cb -0.13 -1.45 0.09 0.00 -0.11 0.00 0.00 41.96 40.36 2k0r s TYR 99 CO -0.03 -0.06 0.51 -1.14 -1.11 0.00 0.00 175.55 173.72 2k0r s GLN 100 N -0.52 0.47 0.00 -0.62 0.74 -1.26 -0.65 119.66 117.82 2k0r s GLN 100 Ca 0.08 1.08 0.00 0.00 0.05 0.00 0.00 55.36 56.56 2k0r s GLN 100 Cb -0.10 0.28 0.00 0.00 1.10 0.00 0.00 33.01 34.29 2k0r s GLN 100 CO -0.00 -0.19 0.00 0.41 -0.55 0.00 0.00 175.29 174.95 2k0r n GLY 101 N 4.85 3.14 3.26 2.59 0.00 -1.26 -3.16 105.19 114.60 2k0r n GLY 101 Ca -0.16 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.04 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 1.98 0.15 0.02 1.61 0.01 0.86 -3.90 113.70 114.42 2k0r s SER 102 Ca 0.00 -1.20 -0.19 0.00 1.31 0.00 0.00 55.95 55.86 2k0r s SER 102 Cb 0.00 0.39 -0.06 0.00 0.21 0.00 0.00 66.02 66.56 2k0r s SER 102 CO 0.00 -0.85 0.56 0.00 0.41 0.00 0.00 173.24 173.36 2k0r s ALA 103 N -4.08 3.55 0.65 1.44 0.00 0.92 -0.28 121.76 123.95 2k0r s ALA 103 Ca 0.29 -0.00 0.35 0.00 0.00 0.00 0.00 51.96 52.60 2k0r s ALA 103 Cb 0.06 -2.66 1.95 0.00 0.00 0.00 0.00 23.12 22.46 2k0r s ALA 103 CO 0.07 0.28 2.14 1.49 0.00 0.00 0.00 175.76 179.74 2k0r h GLU 104 N 5.15 0.00 0.00 0.00 4.81 -1.32 0.15 114.58 123.38 2k0r h GLU 104 Ca -0.47 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.62 2k0r h GLU 104 Cb 1.21 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 2k0r h GLU 104 CO 0.67 0.00 -0.65 0.00 -0.73 0.00 0.00 179.01 178.29 2k0r h ALA 105 N 1.70 0.80 0.00 2.92 0.00 -1.93 -3.47 119.26 119.29 2k0r h ALA 105 Ca 0.02 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2k0r h ALA 105 Cb 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2k0r h ALA 105 CO -0.00 0.81 0.00 0.41 0.00 0.00 0.00 179.25 180.47 2k0r n GLY 106 N 0.59 0.88 3.23 0.00 0.00 0.53 -5.15 105.19 105.27 2k0r n GLY 106 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.84 1.61 -0.21 1.61 1.01 -1.17 -4.94 120.40 117.47 2k0r s VAL 107 Ca 0.00 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 60.94 2k0r s VAL 107 Cb 0.00 -1.38 0.04 0.00 0.00 0.00 0.00 36.38 35.03 2k0r s VAL 107 CO 0.00 0.29 -0.16 0.00 0.00 0.00 0.00 175.10 175.23 2k0r s TYR 109 N 1.23 2.89 0.84 0.00 1.13 -1.25 -5.06 117.35 117.13 2k0r s TYR 109 Ca -0.00 -0.17 -0.11 0.00 -1.41 0.00 0.00 57.07 55.37 2k0r s TYR 109 Cb -0.16 -1.29 0.10 0.00 -1.10 0.00 0.00 41.96 39.51 2k0r s TYR 109 CO -0.10 0.57 1.09 -1.25 -2.51 0.00 0.00 175.55 173.36 2k0r s PRO 110 N -3.75 1.69 0.59 -3.49 0.04 -1.26 -4.65 135.00 124.15 2k0r s PRO 110 Ca 0.32 0.98 -0.18 0.00 0.04 0.00 0.00 61.00 62.16 2k0r s PRO 110 Cb -0.07 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 2k0r s PRO 110 CO 0.22 -1.99 1.12 -1.25 0.04 0.00 0.00 177.00 175.15 2k0r s PRO 111 N -4.92 3.15 -0.24 0.56 0.04 -1.26 -4.84 135.00 127.50 2k0r s PRO 111 Ca 0.62 1.53 0.02 0.00 0.04 0.00 0.00 61.00 63.21 2k0r s PRO 111 Cb -0.18 -1.98 0.05 0.00 0.04 0.00 0.00 34.50 32.43 2k0r s PRO 111 CO 0.57 -1.00 -0.09 0.08 0.04 0.00 0.00 177.00 176.60 2k0r s VAL 112 N -1.98 1.83 -0.12 -0.36 1.01 0.18 -4.99 120.40 115.96 2k0r s VAL 112 Ca 0.71 -1.33 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 2k0r s VAL 112 Cb -0.23 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 2k0r s VAL 112 CO 0.32 0.01 0.12 1.51 0.00 0.00 0.00 175.10 177.06 2k0r s ASP 113 N 1.27 6.25 -0.18 3.32 -4.77 -1.26 -1.40 116.67 119.90 2k0r s ASP 113 Ca -0.06 0.41 -0.08 0.00 -3.30 0.00 0.00 52.55 49.53 2k0r s ASP 113 Cb -0.19 -2.01 0.07 0.00 -1.09 0.00 0.00 42.92 39.71 2k0r s ASP 113 CO -0.06 0.39 0.41 0.42 0.70 0.00 0.00 175.17 177.02 2k0r s THR 114 N -0.91 -0.34 -0.06 2.11 -4.23 0.10 -5.00 115.64 107.31 2k0r s THR 114 Ca 0.14 0.14 -0.02 0.00 -1.18 0.00 0.00 61.69 60.77 2k0r s THR 114 Cb -0.12 -0.63 -0.04 0.00 1.34 0.00 0.00 72.50 73.06 2k0r s THR 114 CO 0.03 0.06 0.06 -1.61 -0.54 0.00 0.00 174.62 172.62 2k0r s GLU 115 N 2.03 3.09 -0.11 3.99 8.01 -1.26 -0.04 118.70 134.40 2k0r s GLU 115 Ca -0.05 -0.39 0.02 0.00 0.01 0.00 0.00 54.97 54.56 2k0r s GLU 115 Cb -0.10 -2.88 0.01 0.00 -4.31 0.00 0.00 34.13 26.84 2k0r s GLU 115 CO -0.13 0.69 -0.19 -0.06 0.01 0.00 0.00 175.26 175.59 2k0r s PHE 116 N -1.04 2.26 -0.35 1.61 0.08 0.04 -4.94 117.98 115.65 2k0r s PHE 116 Ca 0.17 -1.04 -0.24 0.00 0.12 0.00 0.00 56.93 55.94 2k0r s PHE 116 Cb -0.12 -1.57 0.01 0.00 -0.57 0.00 0.00 43.02 40.77 2k0r s PHE 116 CO 0.07 -0.49 0.80 -0.51 -0.10 0.00 0.00 175.22 175.00 2k0r s ASP 117 N 0.77 6.60 -0.19 1.36 1.01 -1.26 -0.14 116.67 124.82 2k0r s ASP 117 Ca -0.10 0.47 -0.14 0.00 0.71 0.00 0.00 52.55 53.50 2k0r s ASP 117 Cb -0.16 -2.41 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 2k0r s ASP 117 CO 0.01 -0.71 0.29 -0.63 0.21 0.00 0.00 175.17 174.33 2k0r s ILE 118 N 3.11 5.29 0.00 0.77 -1.09 -0.50 -4.91 121.20 123.86 2k0r s ILE 118 Ca 0.32 0.50 0.05 0.00 -2.23 0.00 0.00 60.65 59.30 2k0r s ILE 118 Cb -0.13 -3.62 0.09 0.00 -1.58 0.00 0.00 42.46 37.21 2k0r s ILE 118 CO 0.16 0.34 1.01 2.22 -1.23 0.00 0.00 174.94 177.44 2k0r n PHE 119 N 4.01 0.00 -0.26 3.97 1.16 -1.26 -1.88 117.46 123.20 2k0r n PHE 119 Ca -0.12 -0.47 0.00 0.00 -1.87 0.00 0.00 57.45 54.99 2k0r n PHE 119 Cb 0.52 0.35 0.00 0.00 -1.61 0.00 0.00 39.48 38.74 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 -0.26 0.07 4.97 0.00 -1.26 -4.99 105.19 103.81 2k0r n GLY 120 Ca -0.20 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 0.02 0.00 0.00 1.24 0.00 0.00 39.78 41.04 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 -0.75 1.89 3.76 8.20 0.00 -1.26 -4.98 105.19 112.06 2k0r n GLY 122 Ca 0.00 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 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 4.88 0.01 2.61 2.01 -1.26 -0.90 115.64 122.99 2k0r s THR 123 Ca 0.00 1.32 -0.04 0.00 0.31 0.00 0.00 61.69 63.29 2k0r s THR 123 Cb 0.00 -3.97 -0.01 0.00 0.01 0.00 0.00 72.50 68.53 2k0r s THR 123 CO 0.00 0.40 0.06 -0.31 -0.69 0.00 0.00 174.62 174.08 2k0r s TYR 124 N -0.14 0.11 0.03 4.92 1.51 -1.19 -4.98 117.35 117.62 2k0r s TYR 124 Ca 0.33 -0.25 -0.11 0.00 -1.01 0.00 0.00 57.07 56.03 2k0r s TYR 124 Cb -0.19 -0.10 0.01 0.00 -0.11 0.00 0.00 41.96 41.58 2k0r s TYR 124 CO 0.18 -0.22 0.22 -1.01 -1.11 0.00 0.00 175.55 173.62 2k0r s HIS 125 N -1.23 -0.00 0.44 2.71 3.76 -1.26 -2.41 115.29 117.30 2k0r s HIS 125 Ca -0.13 -0.16 -0.24 0.00 -0.15 0.00 0.00 55.06 54.38 2k0r s HIS 125 Cb -0.08 0.01 -0.08 0.00 1.11 0.00 0.00 32.58 33.54 2k0r s HIS 125 CO 0.00 -0.43 1.17 -1.25 -0.85 0.00 0.00 174.74 173.39 2k0r s PRO 126 N -2.32 3.85 -0.90 8.40 0.04 -1.26 -4.97 135.00 137.84 2k0r s PRO 126 Ca -0.07 1.81 -0.00 0.00 0.04 0.00 0.00 61.00 62.78 2k0r s PRO 126 Cb -0.02 -2.50 0.33 0.00 0.04 0.00 0.00 34.50 32.35 2k0r s PRO 126 CO -0.02 -0.48 1.71 1.04 0.04 0.00 0.00 177.00 179.28 2k0r n GLN 127 N -0.30 4.45 0.00 4.56 6.02 -1.26 -5.20 117.38 125.66 2k0r n GLN 127 Ca 0.06 -4.44 0.15 0.00 -0.01 0.00 0.00 57.00 52.76 2k0r n GLN 127 Cb 0.47 -2.38 0.65 0.00 1.02 0.00 0.00 30.24 30.00 2k0r n GLN 127 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30