#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 0.00 -3.49 3.17 0.00 -1.26 -5.04 120.51 113.89 2k0r n ALA 2 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 2k0r n ALA 2 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 2k0r n ALA 2 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k0r n LEU 3 N -2.49 1.96 0.00 0.00 4.77 -1.26 -5.05 117.00 114.93 2k0r n LEU 3 Ca 0.00 -5.01 0.00 0.00 -0.03 0.00 0.00 56.01 50.97 2k0r n LEU 3 Cb 0.00 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2k0r n LEU 3 CO 0.00 1.95 0.00 -0.67 -1.33 0.00 0.00 177.39 177.34 2k0r n ASP 4 N 1.63 0.72 -1.14 -1.43 -0.08 -1.26 -5.15 116.55 109.84 2k0r n ASP 4 Ca 0.25 -0.98 0.00 0.00 -1.51 0.00 0.00 54.79 52.55 2k0r n ASP 4 Cb 0.43 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.89 2k0r n ASP 4 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k0r n ALA 5 N -3.00 0.00 -1.31 -1.67 0.00 -1.26 -4.48 120.51 108.79 2k0r n ALA 5 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 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 -2.54 -7.82 -0.77 0.00 2.85 -1.26 -4.16 115.26 101.55 2k0r n ASN 6 Ca 0.00 0.73 0.05 0.00 -0.11 0.00 0.00 54.58 55.25 2k0r n ASN 6 Cb 0.00 -4.10 0.16 0.00 1.24 0.00 0.00 39.78 37.08 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 -4.04 2.19 0.32 1.20 5.75 -1.26 -4.01 116.55 116.70 2k0r n ASP 7 Ca -0.01 -2.13 0.21 0.00 -0.01 0.00 0.00 54.79 52.85 2k0r n ASP 7 Cb 0.60 -0.33 1.11 0.00 -1.03 0.00 0.00 41.12 41.48 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 1.90 0.00 -9.79 -2.12 4.07 -1.96 -3.42 115.31 103.99 2k0r h LEU 8 Ca 0.00 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 57.44 2k0r h LEU 8 Cb 0.66 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.34 2k0r h LEU 8 CO 0.07 0.01 -0.56 -1.48 -1.08 0.00 0.00 178.44 175.39 2k0r s LEU 9 N -6.43 3.60 0.93 1.67 0.05 -1.26 -5.12 118.68 112.12 2k0r s LEU 9 Ca -0.04 -0.39 -0.12 0.00 0.05 0.00 0.00 54.13 53.63 2k0r s LEU 9 Cb 0.13 -2.13 0.15 0.00 -2.05 0.00 0.00 46.19 42.29 2k0r s LEU 9 CO 0.45 -0.03 1.09 -2.16 -0.55 0.00 0.00 176.35 175.15 2k0r s PRO 10 N -3.79 0.98 0.51 1.48 0.04 -1.26 -4.82 135.00 128.14 2k0r s PRO 10 Ca 0.33 0.72 0.30 0.00 0.04 0.00 0.00 61.00 62.38 2k0r s PRO 10 Cb -0.07 -1.78 1.24 0.00 0.04 0.00 0.00 34.50 33.92 2k0r s PRO 10 CO 0.23 -2.40 1.95 -1.00 0.04 0.00 0.00 177.00 175.81 2k0r h PRO 11 N -1.66 0.00 -0.11 0.56 0.13 -1.97 -0.22 132.00 128.73 2k0r h PRO 11 Ca -0.51 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.59 2k0r h PRO 11 Cb 1.30 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 2k0r h PRO 11 CO 0.55 0.10 -0.05 0.93 -0.23 0.00 0.00 178.00 179.31 2k0r h GLU 12 N 0.00 0.23 0.00 0.86 5.08 -1.92 -3.17 114.58 115.67 2k0r h GLU 12 Ca -0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2k0r h GLU 12 Cb 0.57 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2k0r h GLU 12 CO 0.01 0.57 -0.61 1.17 -1.00 0.00 0.00 179.01 179.15 2k0r n LYS 13 N -4.71 0.27 0.28 2.33 0.00 -1.19 -3.79 118.16 111.35 2k0r n LYS 13 Ca -0.06 0.08 0.16 0.00 0.00 0.00 0.00 58.31 58.49 2k0r n LYS 13 Cb 0.27 -1.68 0.84 0.00 0.00 0.00 0.00 35.03 34.46 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 2.54 1.20 -3.62 3.14 0.00 -1.00 -3.41 119.26 118.11 2k0r h ALA 14 Ca 0.00 -0.06 -0.68 0.00 0.00 0.00 0.00 54.91 54.17 2k0r h ALA 14 Cb 0.73 -0.01 -0.32 0.00 0.00 0.00 0.00 17.79 18.19 2k0r h ALA 14 CO 0.00 0.08 -0.88 -0.06 0.00 0.00 0.00 179.25 178.39 2k0r s PHE 15 N -4.14 2.46 -0.68 0.00 0.08 -1.23 -0.15 117.98 114.32 2k0r s PHE 15 Ca -0.03 -0.90 0.03 0.00 0.12 0.00 0.00 56.93 56.16 2k0r s PHE 15 Cb 0.13 -1.63 0.17 0.00 -0.57 0.00 0.00 43.02 41.11 2k0r s PHE 15 CO 0.54 -0.33 0.48 0.08 -0.10 0.00 0.00 175.22 175.88 2k0r s VAL 16 N 0.15 3.14 0.29 -0.44 1.01 0.63 -4.90 120.40 120.27 2k0r s VAL 16 Ca -0.13 -3.85 -0.29 0.00 0.00 0.00 0.00 61.98 57.71 2k0r s VAL 16 Cb -0.16 -3.06 -0.10 0.00 0.00 0.00 0.00 36.38 33.06 2k0r s VAL 16 CO 0.07 -0.95 1.24 -2.16 0.00 0.00 0.00 175.10 173.29 2k0r s PRO 17 N -1.02 4.45 -0.08 2.72 0.04 -1.26 -1.61 135.00 138.24 2k0r s PRO 17 Ca 0.22 2.05 -0.03 0.00 0.04 0.00 0.00 61.00 63.28 2k0r s PRO 17 Cb -0.12 -3.13 0.04 0.00 0.04 0.00 0.00 34.50 31.33 2k0r s PRO 17 CO -0.10 -0.07 0.17 -2.00 0.04 0.00 0.00 177.00 175.03 2k0r s GLU 18 N -1.37 0.08 0.06 4.56 -6.30 0.13 -4.87 118.70 110.98 2k0r s GLU 18 Ca 0.49 0.49 0.01 0.00 -2.50 0.00 0.00 54.97 53.46 2k0r s GLU 18 Cb -0.37 -0.21 -0.04 0.00 0.00 0.00 0.00 34.13 33.52 2k0r s GLU 18 CO 0.46 -0.24 0.13 -1.17 0.02 0.00 0.00 175.26 174.46 2k0r s LEU 19 N 1.75 4.02 -0.26 2.70 2.96 -1.07 -0.01 118.68 128.77 2k0r s LEU 19 Ca -0.03 0.12 -0.02 0.00 -0.22 0.00 0.00 54.13 53.98 2k0r s LEU 19 Cb -0.12 -2.61 0.12 0.00 0.50 0.00 0.00 46.19 44.09 2k0r s LEU 19 CO -0.06 0.19 0.28 0.00 -1.32 0.00 0.00 176.35 175.44 2k0r s ALA 20 N -1.39 -0.48 0.27 5.97 0.00 0.99 -3.05 121.76 124.07 2k0r s ALA 20 Ca 0.30 0.01 -0.29 0.00 0.00 0.00 0.00 51.96 51.98 2k0r s ALA 20 Cb -0.12 -1.63 -0.10 0.00 0.00 0.00 0.00 23.12 21.27 2k0r s ALA 20 CO 0.22 -1.50 1.28 0.08 0.00 0.00 0.00 175.76 175.85 2k0r s VAL 21 N 2.37 3.03 0.36 0.00 1.01 -0.27 -1.41 120.40 125.48 2k0r s VAL 21 Ca 0.09 0.94 0.02 0.00 0.00 0.00 0.00 61.98 63.03 2k0r s VAL 21 Cb -0.15 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 2k0r s VAL 21 CO -0.24 0.19 0.06 0.00 0.00 0.00 0.00 175.10 175.10 2k0r n ALA 22 N 1.66 0.40 0.26 5.51 0.00 0.89 -4.81 120.51 124.41 2k0r n ALA 22 Ca 0.03 -1.71 0.12 0.00 0.00 0.00 0.00 53.44 51.87 2k0r n ALA 22 Cb 0.43 1.04 0.03 0.00 0.00 0.00 0.00 19.45 20.94 2k0r n ALA 22 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k0r n ASP 23 N -1.44 0.75 -0.40 0.00 2.03 -1.26 -3.94 116.55 112.28 2k0r n ASP 23 Ca -0.10 0.20 0.05 0.00 0.52 0.00 0.00 54.79 55.45 2k0r n ASP 23 Cb 0.49 0.50 0.13 0.00 -0.72 0.00 0.00 41.12 41.52 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 -2.44 2.74 0.00 1.67 8.00 -1.26 -5.04 116.55 120.22 2k0r n ASP 24 Ca 0.01 -2.37 0.00 0.00 0.71 0.00 0.00 54.79 53.14 2k0r n ASP 24 Cb 0.51 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 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 -0.30 0.44 3.27 0.44 0.00 -1.25 -3.17 105.19 104.62 2k0r n GLY 25 Ca 0.11 -1.72 -0.31 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.44 2.00 -0.15 1.61 1.01 -0.54 -0.08 120.40 121.81 2k0r s VAL 26 Ca 0.00 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.94 2k0r s VAL 26 Cb 0.00 -1.68 0.01 0.00 0.00 0.00 0.00 36.38 34.71 2k0r s VAL 26 CO 0.00 0.56 -0.19 0.20 0.00 0.00 0.00 175.10 175.67 2k0r s ASN 27 N -0.30 3.32 -0.10 3.32 0.01 -0.50 0.24 114.94 120.93 2k0r s ASN 27 Ca 0.01 -0.56 0.03 0.00 -0.71 0.00 0.00 52.86 51.63 2k0r s ASN 27 Cb -0.12 -1.49 0.01 0.00 0.41 0.00 0.00 41.25 40.05 2k0r s ASN 27 CO 0.02 0.07 -0.19 0.54 -1.51 0.00 0.00 177.10 176.04 2k0r s VAL 28 N 0.87 1.68 -0.06 1.60 0.11 -0.69 -0.01 120.40 123.90 2k0r s VAL 28 Ca -0.05 -0.79 0.03 0.00 -2.93 0.00 0.00 61.98 58.24 2k0r s VAL 28 Cb -0.15 -1.49 0.01 0.00 -1.53 0.00 0.00 36.38 33.21 2k0r s VAL 28 CO -0.02 0.48 -0.14 -0.60 -3.33 0.00 0.00 175.10 171.48 2k0r s ARG 29 N 0.62 1.82 -0.16 1.54 3.00 0.98 -0.09 118.95 126.67 2k0r s ARG 29 Ca -0.14 -0.49 0.01 0.00 -1.00 0.00 0.00 55.73 54.11 2k0r s ARG 29 Cb -0.16 -1.50 0.02 0.00 0.00 0.00 0.00 34.95 33.30 2k0r s ARG 29 CO 0.04 0.09 -0.19 -0.59 0.00 0.00 0.00 175.30 174.65 2k0r s PHE 30 N 0.49 2.57 -0.31 5.12 -0.71 0.36 0.20 117.98 125.69 2k0r s PHE 30 Ca -0.12 -1.42 -0.24 0.00 -1.04 0.00 0.00 56.93 54.11 2k0r s PHE 30 Cb -0.15 -1.79 0.00 0.00 -1.21 0.00 0.00 43.02 39.88 2k0r s PHE 30 CO 0.04 -0.69 0.82 1.03 -1.34 0.00 0.00 175.22 175.07 2k0r s ARG 31 N 1.15 3.96 0.04 1.99 0.52 -0.64 -3.15 118.95 122.82 2k0r s ARG 31 Ca 0.00 0.61 -0.07 0.00 -0.52 0.00 0.00 55.73 55.76 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 -0.08 -0.71 0.31 0.42 0.02 0.00 0.00 175.30 175.26 2k0r s ILE 32 N 3.03 5.24 0.56 1.52 1.01 0.97 -0.27 121.20 133.26 2k0r s ILE 32 Ca 0.33 0.19 -0.20 0.00 0.00 0.00 0.00 60.65 60.97 2k0r s ILE 32 Cb -0.14 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 2k0r s ILE 32 CO 0.13 0.29 1.25 0.00 0.00 0.00 0.00 174.94 176.61 2k0r s ALA 33 N -1.38 2.68 -0.04 9.38 0.00 0.78 -4.16 121.76 129.02 2k0r s ALA 33 Ca 0.31 1.10 0.28 0.00 0.00 0.00 0.00 51.96 53.65 2k0r s ALA 33 Cb -0.13 -3.48 1.42 0.00 0.00 0.00 0.00 23.12 20.93 2k0r s ALA 33 CO 0.18 -1.17 1.85 0.22 0.00 0.00 0.00 175.76 176.84 2k0r h ASP 34 N 1.22 0.00 -0.39 0.00 3.58 -1.79 -0.36 116.42 118.69 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 1.29 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.34 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 -0.89 1.21 3.29 -0.78 0.00 -1.26 -4.61 105.19 102.16 2k0r n GLY 35 Ca -0.01 -0.58 -0.15 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.49 1.41 -0.20 1.61 2.02 -0.14 -0.98 117.35 119.57 2k0r s TYR 36 Ca 0.35 -0.97 -0.11 0.00 -0.37 0.00 0.00 57.07 55.97 2k0r s TYR 36 Cb 0.19 -0.81 0.06 0.00 -0.40 0.00 0.00 41.96 41.01 2k0r s TYR 36 CO 0.27 -0.13 0.49 1.52 -1.57 0.00 0.00 175.55 176.13 2k0r s TYR 37 N -3.54 -0.72 -0.01 2.71 1.13 0.48 -4.68 117.35 112.72 2k0r s TYR 37 Ca 0.27 1.51 0.02 0.00 -1.41 0.00 0.00 57.07 57.46 2k0r s TYR 37 Cb 0.06 0.36 -0.03 0.00 -1.10 0.00 0.00 41.96 41.24 2k0r s TYR 37 CO 0.07 -0.39 -0.04 1.41 -2.51 0.00 0.00 175.55 174.09 2k0r s MET 38 N 1.42 2.69 -0.19 -3.49 1.75 -1.07 -0.72 119.30 119.70 2k0r s MET 38 Ca -0.09 -0.64 -0.27 0.00 -1.25 0.00 0.00 55.69 53.44 2k0r s MET 38 Cb -0.07 -2.60 -0.00 0.00 2.84 0.00 0.00 34.83 35.00 2k0r s MET 38 CO -0.14 0.62 0.94 0.71 -0.65 0.00 0.00 175.02 176.50 2k0r s TYR 39 N -1.00 3.40 0.32 4.11 2.02 -1.20 -0.55 117.35 124.45 2k0r s TYR 39 Ca 0.17 1.38 0.08 0.00 -0.37 0.00 0.00 57.07 58.34 2k0r s TYR 39 Cb -0.11 -3.14 0.83 0.00 -0.40 0.00 0.00 41.96 39.13 2k0r s TYR 39 CO 0.08 -0.34 1.77 0.37 -1.57 0.00 0.00 175.55 175.85 2k0r h GLN 40 N 7.38 0.65 -0.11 -0.62 4.15 -0.78 0.39 115.11 126.17 2k0r h GLN 40 Ca -0.25 -0.04 -0.08 0.00 0.77 0.00 0.00 58.65 59.05 2k0r h GLN 40 Cb 1.10 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.64 2k0r h GLN 40 CO 0.89 0.43 -0.30 0.00 -1.93 0.00 0.00 178.83 177.93 2k0r h ALA 41 N 1.67 1.29 0.00 3.38 0.00 -1.92 -2.61 119.26 121.06 2k0r h ALA 41 Ca 0.59 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 2k0r h ALA 41 Cb 1.05 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2k0r h ALA 41 CO -0.39 0.48 -0.59 0.87 0.00 0.00 0.00 179.25 179.62 2k0r h LYS 42 N 0.19 0.00 -6.82 0.00 1.79 -0.59 -3.45 116.57 107.69 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 0.63 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 31.35 2k0r h LYS 42 CO 0.05 0.59 0.77 0.42 -1.08 0.00 0.00 179.45 180.19 2k0r s ILE 43 N -3.26 2.43 -0.01 1.86 -1.09 -0.37 -4.52 121.20 116.24 2k0r s ILE 43 Ca 0.01 0.39 -0.00 0.00 -2.23 0.00 0.00 60.65 58.81 2k0r s ILE 43 Cb 0.10 -3.25 0.01 0.00 -1.58 0.00 0.00 42.46 37.74 2k0r s ILE 43 CO 0.75 0.07 0.02 -0.69 -1.23 0.00 0.00 174.94 173.86 2k0r s VAL 44 N -0.44 -0.01 -0.28 2.92 1.01 0.59 -4.97 120.40 119.21 2k0r s VAL 44 Ca 0.57 0.05 -0.07 0.00 0.00 0.00 0.00 61.98 62.53 2k0r s VAL 44 Cb -0.44 -0.04 0.14 0.00 0.00 0.00 0.00 36.38 36.04 2k0r s VAL 44 CO 0.50 0.02 0.59 -0.83 0.00 0.00 0.00 175.10 175.38 2k0r s GLY 45 N 0.26 -0.72 -0.01 4.51 0.00 -1.25 -0.16 107.32 109.95 2k0r s GLY 45 Ca -0.02 2.06 -0.00 0.00 0.00 0.00 0.00 44.72 46.76 2k0r s GLY 45 CO -0.01 3.02 0.01 1.25 0.00 0.00 0.00 173.10 177.38 2k0r s LYS 46 N 2.83 -0.01 -0.03 2.90 2.36 -0.63 -4.59 119.74 122.58 2k0r s LYS 46 Ca 0.01 0.06 0.01 0.00 -2.55 0.00 0.00 55.97 53.51 2k0r s LYS 46 Cb -0.13 -0.07 0.01 0.00 -1.05 0.00 0.00 37.83 36.59 2k0r s LYS 46 CO -0.18 -0.05 -0.05 -0.08 1.55 0.00 0.00 175.35 176.53 2k0r s THR 47 N 0.32 0.51 0.00 3.43 -1.32 -1.26 0.24 115.64 117.56 2k0r s THR 47 Ca -0.03 -0.18 0.00 0.00 -1.21 0.00 0.00 61.69 60.27 2k0r s THR 47 Cb -0.04 -0.49 0.00 0.00 -1.51 0.00 0.00 72.50 70.46 2k0r s THR 47 CO -0.01 0.18 0.00 -0.46 -2.21 0.00 0.00 174.62 172.13 2k0r n ASN 48 N 3.54 0.00 0.18 8.08 0.23 0.43 -4.39 115.26 123.33 2k0r n ASN 48 Ca -0.20 0.00 0.14 0.00 -0.53 0.00 0.00 54.58 53.99 2k0r n ASN 48 Cb 0.54 0.00 0.56 0.00 -2.08 0.00 0.00 39.78 38.80 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 0.00 0.00 -0.53 0.13 -1.81 -1.99 132.00 127.80 2k0r h PRO 49 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2k0r h PRO 49 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2k0r h PRO 49 CO 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.77 2k0r n ALA 50 N -1.88 0.00 0.00 -0.56 0.00 -1.26 -4.80 120.51 112.01 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 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 -2.02 0.00 -0.12 0.00 5.68 -1.26 -5.04 116.55 113.79 2k0r n ASP 51 Ca 0.00 0.00 -0.17 0.00 -0.50 0.00 0.00 54.79 54.12 2k0r n ASP 51 Cb 0.00 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 39.86 2k0r n ASP 51 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2k0r n LEU 52 N 0.00 2.85 -4.51 -2.12 4.77 -1.26 -4.99 117.00 111.74 2k0r n LEU 52 Ca 0.00 -0.13 -0.40 0.00 -0.03 0.00 0.00 56.01 55.46 2k0r n LEU 52 Cb 0.00 -0.81 0.03 0.00 -2.33 0.00 0.00 43.42 40.30 2k0r n LEU 52 CO 0.00 0.90 0.22 -0.11 -1.33 0.00 0.00 177.39 177.07 2k0r n LEU 53 N -3.21 1.23 0.00 2.23 7.94 -1.26 -3.92 117.00 120.01 2k0r n LEU 53 Ca -0.44 0.84 0.00 0.00 -1.11 0.00 0.00 56.01 55.31 2k0r n LEU 53 Cb 0.98 -1.21 0.00 0.00 0.53 0.00 0.00 43.42 43.71 2k0r n LEU 53 CO 0.26 -2.59 0.00 0.61 -1.11 0.00 0.00 177.39 174.56 2k0r n GLY 54 N 1.62 -0.27 3.04 -3.96 0.00 -1.09 -4.78 105.19 99.76 2k0r n GLY 54 Ca 0.11 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 1.20 0.00 0.00 0.00 173.32 174.52 2k0r s GLN 55 N 0.00 0.48 0.59 1.61 -0.21 -1.26 -5.05 119.66 115.81 2k0r s GLN 55 Ca 0.00 -0.93 -0.18 0.00 0.02 0.00 0.00 55.36 54.27 2k0r s GLN 55 Cb 0.00 0.17 -0.04 0.00 1.00 0.00 0.00 33.01 34.14 2k0r s GLN 55 CO 0.00 -0.09 1.12 -1.25 -2.12 0.00 0.00 175.29 172.96 2k0r s PRO 56 N -2.79 3.14 -0.49 2.91 0.04 -1.26 -4.29 135.00 132.25 2k0r s PRO 56 Ca -0.04 1.53 0.04 0.00 0.04 0.00 0.00 61.00 62.57 2k0r s PRO 56 Cb -0.00 -1.98 0.16 0.00 0.04 0.00 0.00 34.50 32.71 2k0r s PRO 56 CO -0.06 -1.01 0.35 0.45 0.04 0.00 0.00 177.00 176.77 2k0r s SER 57 N -2.09 2.93 -0.12 6.66 0.15 0.95 -4.93 113.70 117.25 2k0r s SER 57 Ca 0.70 -3.11 -0.24 0.00 0.70 0.00 0.00 55.95 54.00 2k0r s SER 57 Cb -0.23 -0.88 -0.03 0.00 -1.71 0.00 0.00 66.02 63.18 2k0r s SER 57 CO 0.33 -0.18 0.76 0.72 1.20 0.00 0.00 173.24 176.06 2k0r s PHE 58 N -0.20 3.50 1.09 3.44 -0.12 -1.26 0.05 117.98 124.48 2k0r s PHE 58 Ca 0.26 1.24 -0.19 0.00 -0.05 0.00 0.00 56.93 58.20 2k0r s PHE 58 Cb -0.07 -2.90 0.07 0.00 -0.63 0.00 0.00 43.02 39.49 2k0r s PHE 58 CO -0.13 -0.07 -0.07 0.43 -0.05 0.00 0.00 175.22 175.33 2k0r n SER 59 N 4.46 -2.45 -4.29 1.98 7.64 -0.56 -4.92 113.62 115.49 2k0r n SER 59 Ca 0.01 -0.05 -0.45 0.00 1.01 0.00 0.00 58.87 59.40 2k0r n SER 59 Cb 0.50 -0.95 -0.06 0.00 -1.01 0.00 0.00 64.21 62.69 2k0r n SER 59 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2k0r s LYS 60 N -3.34 2.89 0.00 1.43 -0.14 -1.26 -4.95 119.74 114.37 2k0r s LYS 60 Ca 0.54 -1.75 0.00 0.00 -1.36 0.00 0.00 55.97 53.40 2k0r s LYS 60 Cb -0.11 -4.21 0.00 0.00 -1.68 0.00 0.00 37.83 31.82 2k0r s LYS 60 CO 0.67 -1.30 0.00 0.41 -0.76 0.00 0.00 175.35 174.37 2k0r n GLY 61 N 5.13 -1.73 3.06 -3.33 0.00 -1.26 -5.01 105.19 102.05 2k0r n GLY 61 Ca -0.12 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 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 1.35 -0.02 1.61 2.12 0.62 -4.90 118.70 119.48 2k0r s GLU 62 Ca 0.00 -0.45 -0.27 0.00 0.36 0.00 0.00 54.97 54.62 2k0r s GLU 62 Cb 0.00 -1.21 -0.04 0.00 0.26 0.00 0.00 34.13 33.15 2k0r s GLU 62 CO 0.00 0.17 0.83 -1.83 -0.54 0.00 0.00 175.26 173.90 2k0r s GLU 63 N 0.13 4.50 0.04 4.30 -1.05 -1.26 -0.24 118.70 125.11 2k0r s GLU 63 Ca -0.03 1.14 -0.08 0.00 -0.15 0.00 0.00 54.97 55.85 2k0r s GLU 63 Cb -0.10 -3.44 -0.00 0.00 -0.44 0.00 0.00 34.13 30.15 2k0r s GLU 63 CO 0.01 0.04 0.16 -1.59 0.95 0.00 0.00 175.26 174.83 2k0r s LYS 64 N 0.79 0.65 -0.12 -4.83 0.00 -0.57 -4.97 119.74 110.69 2k0r s LYS 64 Ca 0.44 -0.66 -0.00 0.00 0.00 0.00 0.00 55.97 55.75 2k0r s LYS 64 Cb -0.20 0.27 -0.02 0.00 0.00 0.00 0.00 37.83 37.88 2k0r s LYS 64 CO 0.23 -0.18 -0.12 -1.21 0.00 0.00 0.00 175.35 174.07 2k0r s GLU 65 N -2.53 3.30 0.00 1.78 8.01 -1.26 -1.37 118.70 126.63 2k0r s GLU 65 Ca -0.05 -0.67 0.00 0.00 0.01 0.00 0.00 54.97 54.26 2k0r s GLU 65 Cb -0.01 -2.63 0.00 0.00 -4.31 0.00 0.00 34.13 27.18 2k0r s GLU 65 CO -0.04 0.27 0.00 -3.47 0.01 0.00 0.00 175.26 172.03 2k0r n ASP 66 N 3.36 0.00 -0.26 -0.19 -0.08 -0.50 -4.91 116.55 113.96 2k0r n ASP 66 Ca -0.18 -0.87 0.06 0.00 -1.51 0.00 0.00 54.79 52.29 2k0r n ASP 66 Cb 0.53 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.98 2k0r n ASP 66 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2k0r n GLU 67 N 0.00 1.99 0.00 -0.67 0.28 -1.26 -2.47 120.64 118.50 2k0r n GLU 67 Ca 0.00 -0.64 0.14 0.00 -0.16 0.00 0.00 57.16 56.50 2k0r n GLU 67 Cb 0.00 -1.16 0.55 0.00 1.43 0.00 0.00 31.44 32.27 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 -0.28 0.00 0.00 -1.84 3.01 -1.26 -4.66 117.46 112.42 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 0.26 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.71 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 -0.06 0.00 0.00 1.38 -1.74 -1.26 -5.16 117.46 110.62 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 0.33 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.33 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 -0.44 0.22 3.44 4.97 0.00 -1.03 -4.91 105.19 107.43 2k0r n GLY 70 Ca 0.00 -1.93 -0.44 0.00 0.00 0.00 0.00 46.02 43.65 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 3.13 0.23 1.61 3.00 -1.26 -1.42 118.95 124.25 2k0r s ARG 71 Ca 0.00 -0.90 -0.14 0.00 0.00 0.00 0.00 55.73 54.69 2k0r s ARG 71 Cb 0.00 -4.17 0.00 0.00 0.00 0.00 0.00 34.95 30.78 2k0r s ARG 71 CO 0.00 -1.49 0.48 -0.65 0.00 0.00 0.00 175.30 173.64 2k0r s GLN 72 N 3.18 1.50 0.22 3.54 -1.52 -0.47 -4.94 119.66 121.16 2k0r s GLN 72 Ca 0.18 -1.18 -0.30 0.00 -1.95 0.00 0.00 55.36 52.11 2k0r s GLN 72 Cb -0.19 0.48 -0.08 0.00 -0.22 0.00 0.00 33.01 32.99 2k0r s GLN 72 CO 0.11 -0.62 0.95 0.99 -0.25 0.00 0.00 175.29 176.46 2k0r s THR 73 N -3.99 4.14 0.30 -0.19 2.01 -1.26 -1.51 115.64 115.13 2k0r s THR 73 Ca 0.19 2.07 0.04 0.00 0.31 0.00 0.00 61.69 64.31 2k0r s THR 73 Cb -0.01 -4.32 -0.03 0.00 0.01 0.00 0.00 72.50 68.15 2k0r s THR 73 CO 0.06 0.46 0.26 0.68 -0.69 0.00 0.00 174.62 175.40 2k0r s VAL 74 N -0.96 0.00 -0.03 3.82 -7.23 0.66 -0.05 120.40 116.61 2k0r s VAL 74 Ca 0.42 -1.95 0.07 0.00 -1.81 0.00 0.00 61.98 58.71 2k0r s VAL 74 Cb -0.26 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.16 2k0r s VAL 74 CO 0.32 0.00 -0.25 -0.31 -0.31 0.00 0.00 175.10 174.55 2k0r s TYR 75 N -3.61 2.39 -0.60 2.82 2.02 0.29 -0.28 117.35 120.39 2k0r s TYR 75 Ca 0.39 -0.49 0.19 0.00 -0.37 0.00 0.00 57.07 56.79 2k0r s TYR 75 Cb 0.03 -1.54 -0.23 0.00 -0.40 0.00 0.00 41.96 39.82 2k0r s TYR 75 CO 0.23 -0.07 0.67 -2.39 -1.57 0.00 0.00 175.55 172.42 2k0r n HIS 76 N 2.56 0.00 0.00 2.71 1.44 -1.26 -2.59 115.22 118.08 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 -0.15 0.00 0.00 0.12 0.00 0.00 29.99 30.48 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 -1.68 -0.07 -3.48 -1.40 -0.00 -1.26 -4.21 115.22 103.13 2k0r n HIS 77 Ca 0.01 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.36 2k0r n HIS 77 Cb 0.36 0.01 -0.06 0.00 -0.00 0.00 0.00 29.99 30.30 2k0r n HIS 77 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 2k0r s GLU 78 N -1.09 4.10 -0.36 1.57 -1.05 -1.26 -0.02 118.70 120.59 2k0r s GLU 78 Ca 0.00 0.31 0.05 0.00 -0.15 0.00 0.00 54.97 55.18 2k0r s GLU 78 Cb 0.00 -3.33 0.19 0.00 -0.44 0.00 0.00 34.13 30.54 2k0r s GLU 78 CO 0.00 0.43 0.66 0.00 0.95 0.00 0.00 175.26 177.30 2k0r s ALA 79 N -0.19 -2.58 0.07 -0.84 0.00 -1.19 -4.71 121.76 112.32 2k0r s ALA 79 Ca 0.22 0.63 0.09 0.00 0.00 0.00 0.00 51.96 52.89 2k0r s ALA 79 Cb -0.15 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 2k0r s ALA 79 CO 0.09 -2.09 -0.23 -1.14 0.00 0.00 0.00 175.76 172.39 2k0r s GLN 80 N 2.25 1.44 -0.01 0.00 0.74 -1.26 -0.49 119.66 122.33 2k0r s GLN 80 Ca 0.14 -1.11 0.04 0.00 0.05 0.00 0.00 55.36 54.48 2k0r s GLN 80 Cb -0.06 -1.68 -0.01 0.00 1.10 0.00 0.00 33.01 32.37 2k0r s GLN 80 CO -0.15 0.42 -0.12 0.08 -0.55 0.00 0.00 175.29 174.97 2k0r s VAL 81 N -0.92 0.96 -0.17 1.34 1.01 0.88 -1.50 120.40 122.00 2k0r s VAL 81 Ca 0.10 -0.51 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 2k0r s VAL 81 Cb -0.10 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 2k0r s VAL 81 CO 0.03 0.28 0.07 0.00 0.00 0.00 0.00 175.10 175.48 2k0r s ALA 82 N -0.22 3.47 -0.76 5.51 0.00 0.11 -1.71 121.76 128.15 2k0r s ALA 82 Ca 0.03 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.28 2k0r s ALA 82 Cb -0.05 -1.89 0.19 0.00 0.00 0.00 0.00 23.12 21.36 2k0r s ALA 82 CO -0.00 0.28 0.59 -0.06 0.00 0.00 0.00 175.76 176.56 2k0r s PHE 83 N 0.06 3.67 0.09 0.00 0.08 0.14 -0.03 117.98 121.98 2k0r s PHE 83 Ca 0.06 -3.20 -0.31 0.00 0.12 0.00 0.00 56.93 53.60 2k0r s PHE 83 Cb -0.12 -2.93 -0.07 0.00 -0.57 0.00 0.00 43.02 39.32 2k0r s PHE 83 CO 0.01 -0.64 1.38 -1.25 -0.10 0.00 0.00 175.22 174.62 2k0r s PRO 84 N -1.31 4.32 0.90 0.24 0.04 -1.26 -1.47 135.00 136.46 2k0r s PRO 84 Ca 0.25 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 63.21 2k0r s PRO 84 Cb -0.07 -3.33 0.13 0.00 0.04 0.00 0.00 34.50 31.27 2k0r s PRO 84 CO -0.14 -0.45 1.10 0.71 0.04 0.00 0.00 177.00 178.26 2k0r s TYR 85 N 1.38 2.08 0.00 0.56 2.02 -1.19 -2.67 117.35 119.53 2k0r s TYR 85 Ca 0.64 1.49 0.00 0.00 -0.37 0.00 0.00 57.07 58.83 2k0r s TYR 85 Cb -0.35 -3.17 0.00 0.00 -0.40 0.00 0.00 41.96 38.04 2k0r s TYR 85 CO 0.29 -2.52 0.46 0.00 -1.57 0.00 0.00 175.55 172.21 2k0r n ALA 86 N -4.01 1.13 -3.41 3.71 0.00 -1.25 -4.45 120.51 112.22 2k0r n ALA 86 Ca 0.08 -0.46 -0.15 0.00 0.00 0.00 0.00 53.44 52.92 2k0r n ALA 86 Cb 0.54 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.20 0.74 -0.63 0.00 -0.14 -1.26 -4.93 119.74 113.32 2k0r s LYS 87 Ca 0.00 0.40 -0.25 0.00 -1.36 0.00 0.00 55.97 54.76 2k0r s LYS 87 Cb 0.00 0.35 0.05 0.00 -1.68 0.00 0.00 37.83 36.55 2k0r s LYS 87 CO 0.00 -0.16 1.06 0.00 -0.76 0.00 0.00 175.35 175.49 2k0r s ALA 88 N -0.46 3.03 0.01 5.17 0.00 -1.26 -5.00 121.76 123.26 2k0r s ALA 88 Ca -0.06 -1.37 0.02 0.00 0.00 0.00 0.00 51.96 50.54 2k0r s ALA 88 Cb -0.03 -3.93 -0.01 0.00 0.00 0.00 0.00 23.12 19.14 2k0r s ALA 88 CO 0.04 -2.74 -0.06 0.14 0.00 0.00 0.00 175.76 173.14 2k0r s VAL 89 N 4.54 0.41 -0.57 0.00 -7.23 -1.26 -5.04 120.40 111.26 2k0r s VAL 89 Ca 0.31 -0.52 0.15 0.00 -1.81 0.00 0.00 61.98 60.11 2k0r s VAL 89 Cb -0.12 -0.41 0.51 0.00 0.56 0.00 0.00 36.38 36.92 2k0r s VAL 89 CO 0.17 -0.08 1.43 0.61 -0.31 0.00 0.00 175.10 176.91 2k0r n GLY 90 N 2.41 3.37 3.98 2.32 0.00 -1.26 -5.00 105.19 111.01 2k0r n GLY 90 Ca -0.17 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.10 3.33 0.55 1.61 2.02 -1.26 -5.09 118.70 117.76 2k0r s GLU 91 Ca 0.39 -0.82 -0.19 0.00 0.02 0.00 0.00 54.97 54.37 2k0r s GLU 91 Cb 0.28 -2.85 -0.06 0.00 0.10 0.00 0.00 34.13 31.60 2k0r s GLU 91 CO 0.14 0.29 1.13 -1.25 0.02 0.00 0.00 175.26 175.59 2k0r s PRO 92 N -4.07 3.34 0.23 0.39 0.04 -1.26 -4.97 135.00 128.69 2k0r s PRO 92 Ca 0.38 1.60 0.01 0.00 0.04 0.00 0.00 61.00 63.03 2k0r s PRO 92 Cb -0.09 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 2k0r s PRO 92 CO 0.30 -0.86 0.08 1.52 0.04 0.00 0.00 177.00 178.09 2k0r s TYR 93 N -1.79 1.37 0.13 0.56 1.13 -0.23 -4.60 117.35 113.93 2k0r s TYR 93 Ca 0.73 -1.19 0.11 0.00 -1.41 0.00 0.00 57.07 55.30 2k0r s TYR 93 Cb -0.24 -0.78 -0.04 0.00 -1.10 0.00 0.00 41.96 39.80 2k0r s TYR 93 CO 0.27 -0.38 -0.27 0.21 -2.51 0.00 0.00 175.55 172.88 2k0r s LYS 94 N -4.04 1.40 0.06 -3.49 2.47 -0.75 -0.02 119.74 115.37 2k0r s LYS 94 Ca 0.35 -1.36 0.05 0.00 -1.56 0.00 0.00 55.97 53.45 2k0r s LYS 94 Cb 0.07 -1.88 -0.03 0.00 -1.46 0.00 0.00 37.83 34.54 2k0r s LYS 94 CO 0.11 0.44 -0.13 -0.48 0.16 0.00 0.00 175.35 175.45 2k0r s LEU 95 N -2.09 2.25 -0.08 5.43 0.05 -0.40 -0.43 118.68 123.40 2k0r s LEU 95 Ca 0.14 -0.56 0.02 0.00 0.05 0.00 0.00 54.13 53.78 2k0r s LEU 95 Cb -0.10 -0.47 0.01 0.00 -2.05 0.00 0.00 46.19 43.58 2k0r s LEU 95 CO 0.06 -0.07 -0.13 -0.69 -0.55 0.00 0.00 176.35 174.97 2k0r s VAL 96 N -1.18 1.27 -0.04 1.48 1.01 0.14 -0.37 120.40 122.70 2k0r s VAL 96 Ca -0.02 -0.53 0.07 0.00 0.00 0.00 0.00 61.98 61.49 2k0r s VAL 96 Cb -0.09 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 2k0r s VAL 96 CO 0.02 0.39 -0.24 -0.76 0.00 0.00 0.00 175.10 174.51 2k0r s LEU 97 N 0.83 2.14 -0.06 3.92 1.43 0.29 -1.60 118.68 125.63 2k0r s LEU 97 Ca -0.11 -0.46 -0.00 0.00 -1.03 0.00 0.00 54.13 52.53 2k0r s LEU 97 Cb -0.15 -1.38 0.03 0.00 0.03 0.00 0.00 46.19 44.71 2k0r s LEU 97 CO 0.02 0.29 -0.02 -0.89 0.23 0.00 0.00 176.35 175.97 2k0r s THR 98 N -0.40 0.45 -0.02 5.49 2.01 0.78 -0.06 115.64 123.88 2k0r s THR 98 Ca 0.04 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.08 2k0r s THR 98 Cb -0.12 -0.55 -0.01 0.00 0.01 0.00 0.00 72.50 71.84 2k0r s THR 98 CO 0.01 0.24 -0.15 -0.72 -0.69 0.00 0.00 174.62 173.31 2k0r s TYR 99 N 1.46 1.45 -0.21 4.92 -0.85 -0.60 -0.30 117.35 123.21 2k0r s TYR 99 Ca -0.03 -0.33 -0.09 0.00 -0.52 0.00 0.00 57.07 56.10 2k0r s TYR 99 Cb -0.13 -0.96 0.08 0.00 0.38 0.00 0.00 41.96 41.33 2k0r s TYR 99 CO -0.03 -0.08 0.47 -1.14 -1.52 0.00 0.00 175.55 173.26 2k0r s GLN 100 N -0.17 0.42 0.00 -3.49 0.74 -1.26 -1.01 119.66 114.89 2k0r s GLN 100 Ca 0.02 1.00 0.00 0.00 0.05 0.00 0.00 55.36 56.43 2k0r s GLN 100 Cb -0.08 0.22 0.00 0.00 1.10 0.00 0.00 33.01 34.25 2k0r s GLN 100 CO 0.00 -0.20 0.00 0.41 -0.55 0.00 0.00 175.29 174.96 2k0r n GLY 101 N 4.82 3.92 3.35 2.59 0.00 -1.26 -3.22 105.19 115.39 2k0r n GLY 101 Ca -0.16 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 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 1.67 0.17 -0.02 1.61 0.01 0.10 -3.83 113.70 113.42 2k0r s SER 102 Ca 0.00 -1.25 -0.16 0.00 1.31 0.00 0.00 55.95 55.85 2k0r s SER 102 Cb 0.00 0.47 -0.06 0.00 0.21 0.00 0.00 66.02 66.65 2k0r s SER 102 CO 0.00 -0.98 0.43 0.00 0.41 0.00 0.00 173.24 173.10 2k0r s ALA 103 N -4.02 3.66 0.66 1.44 0.00 0.83 -0.39 121.76 123.94 2k0r s ALA 103 Ca 0.33 -0.20 0.39 0.00 0.00 0.00 0.00 51.96 52.48 2k0r s ALA 103 Cb 0.04 -2.44 2.14 0.00 0.00 0.00 0.00 23.12 22.85 2k0r s ALA 103 CO 0.12 0.40 2.23 0.93 0.00 0.00 0.00 175.76 179.44 2k0r h GLU 104 N 5.03 0.00 0.00 0.00 5.08 -1.36 0.82 114.58 124.16 2k0r h GLU 104 Ca -0.50 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.71 2k0r h GLU 104 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 2k0r h GLU 104 CO 0.64 0.00 -0.71 0.00 -1.00 0.00 0.00 179.01 177.94 2k0r h ALA 105 N 1.81 0.73 0.00 3.43 0.00 -1.93 -3.47 119.26 119.83 2k0r h ALA 105 Ca 0.01 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2k0r h ALA 105 Cb 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2k0r h ALA 105 CO -0.00 0.89 0.00 0.41 0.00 0.00 0.00 179.25 180.55 2k0r n GLY 106 N 0.72 0.84 3.22 0.00 0.00 0.28 -5.16 105.19 105.08 2k0r n GLY 106 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.61 1.52 -0.18 1.61 1.01 -1.18 -4.94 120.40 117.62 2k0r s VAL 107 Ca 0.00 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 60.92 2k0r s VAL 107 Cb 0.00 -1.32 0.03 0.00 0.00 0.00 0.00 36.38 35.09 2k0r s VAL 107 CO 0.00 0.21 -0.16 0.00 0.00 0.00 0.00 175.10 175.16 2k0r s TYR 109 N 1.37 2.75 0.79 0.00 1.13 -1.25 -5.06 117.35 117.08 2k0r s TYR 109 Ca 0.03 -0.20 -0.11 0.00 -1.41 0.00 0.00 57.07 55.38 2k0r s TYR 109 Cb -0.14 -1.23 0.07 0.00 -1.10 0.00 0.00 41.96 39.56 2k0r s TYR 109 CO -0.11 0.60 1.09 -1.25 -2.51 0.00 0.00 175.55 173.37 2k0r s PRO 110 N -3.62 2.11 0.58 -3.49 0.04 -1.26 -4.63 135.00 124.74 2k0r s PRO 110 Ca 0.31 1.12 -0.18 0.00 0.04 0.00 0.00 61.00 62.29 2k0r s PRO 110 Cb -0.07 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 2k0r s PRO 110 CO 0.20 -1.73 1.12 -1.25 0.04 0.00 0.00 177.00 175.38 2k0r s PRO 111 N -4.91 3.16 -0.20 0.56 0.04 -1.26 -4.83 135.00 127.55 2k0r s PRO 111 Ca 0.61 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.19 2k0r s PRO 111 Cb -0.17 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.43 2k0r s PRO 111 CO 0.56 -0.99 -0.07 0.08 0.04 0.00 0.00 177.00 176.61 2k0r s VAL 112 N -1.97 1.44 -0.17 -0.36 1.01 -0.18 -5.00 120.40 115.17 2k0r s VAL 112 Ca 0.71 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 2k0r s VAL 112 Cb -0.23 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 2k0r s VAL 112 CO 0.32 0.09 -0.03 1.51 0.00 0.00 0.00 175.10 176.99 2k0r s ASP 113 N 1.47 4.74 -0.04 3.32 1.47 -1.26 -1.56 116.67 124.81 2k0r s ASP 113 Ca -0.02 -0.18 0.02 0.00 1.18 0.00 0.00 52.55 53.55 2k0r s ASP 113 Cb -0.17 -1.79 0.01 0.00 -0.34 0.00 0.00 42.92 40.64 2k0r s ASP 113 CO -0.08 0.12 -0.08 -0.89 0.68 0.00 0.00 175.17 174.93 2k0r s THR 114 N 0.66 0.73 -0.11 2.11 2.01 0.91 -4.98 115.64 116.98 2k0r s THR 114 Ca -0.02 -0.28 -0.03 0.00 0.31 0.00 0.00 61.69 61.67 2k0r s THR 114 Cb -0.14 -0.69 -0.03 0.00 0.01 0.00 0.00 72.50 71.64 2k0r s THR 114 CO 0.02 0.25 0.03 -1.61 -0.69 0.00 0.00 174.62 172.63 2k0r s GLU 115 N 0.58 3.21 -0.13 4.92 2.02 -1.26 -0.55 118.70 127.49 2k0r s GLU 115 Ca -0.09 -0.35 0.02 0.00 0.02 0.00 0.00 54.97 54.57 2k0r s GLU 115 Cb -0.12 -2.92 0.01 0.00 0.10 0.00 0.00 34.13 31.20 2k0r s GLU 115 CO 0.01 0.65 -0.20 -0.06 0.02 0.00 0.00 175.26 175.69 2k0r s PHE 116 N -0.72 2.43 -0.53 1.61 0.08 0.50 -4.98 117.98 116.37 2k0r s PHE 116 Ca 0.12 -1.20 -0.26 0.00 0.12 0.00 0.00 56.93 55.71 2k0r s PHE 116 Cb -0.12 -1.68 0.03 0.00 -0.57 0.00 0.00 43.02 40.69 2k0r s PHE 116 CO 0.02 -0.56 1.03 -0.51 -0.10 0.00 0.00 175.22 175.10 2k0r s ASP 117 N 0.86 6.45 -0.14 1.36 1.01 -1.26 -1.27 116.67 123.68 2k0r s ASP 117 Ca -0.07 -0.00 -0.23 0.00 0.71 0.00 0.00 52.55 52.95 2k0r s ASP 117 Cb -0.15 -2.49 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 2k0r s ASP 117 CO -0.02 -1.25 0.71 -0.63 0.21 0.00 0.00 175.17 174.19 2k0r s ILE 118 N 4.23 4.99 -0.00 0.77 -1.09 0.96 -4.88 121.20 126.19 2k0r s ILE 118 Ca 0.38 1.41 0.04 0.00 -2.23 0.00 0.00 60.65 60.25 2k0r s ILE 118 Cb -0.10 -4.04 0.07 0.00 -1.58 0.00 0.00 42.46 36.81 2k0r s ILE 118 CO 0.24 0.14 1.03 2.22 -1.23 0.00 0.00 174.94 177.34 2k0r n PHE 119 N 4.59 -0.00 -0.45 3.97 1.16 -1.26 -1.06 117.46 124.41 2k0r n PHE 119 Ca 0.00 -0.50 0.00 0.00 -1.87 0.00 0.00 57.45 55.08 2k0r n PHE 119 Cb 0.50 0.40 0.00 0.00 -1.61 0.00 0.00 39.48 38.77 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 0.08 -0.88 0.00 4.97 0.00 -1.26 -5.00 105.19 103.10 2k0r n GLY 120 Ca -0.23 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 4.05 -1.26 -5.08 115.26 114.58 2k0r n ASN 121 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 2k0r n ASN 121 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 2k0r n ASN 121 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2k0r n GLY 122 N 0.00 2.10 3.75 8.20 0.00 -1.26 -4.94 105.19 113.04 2k0r n GLY 122 Ca 0.00 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 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 4.97 0.01 2.61 2.01 -1.26 -1.11 115.64 122.87 2k0r s THR 123 Ca 0.00 1.22 0.01 0.00 0.31 0.00 0.00 61.69 63.23 2k0r s THR 123 Cb 0.00 -3.92 -0.01 0.00 0.01 0.00 0.00 72.50 68.58 2k0r s THR 123 CO 0.00 0.39 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.96 2k0r s TYR 124 N 0.04 0.42 0.02 4.92 1.51 -1.17 -4.98 117.35 118.12 2k0r s TYR 124 Ca 0.31 -0.19 -0.07 0.00 -1.01 0.00 0.00 57.07 56.11 2k0r s TYR 124 Cb -0.18 -0.27 -0.00 0.00 -0.11 0.00 0.00 41.96 41.41 2k0r s TYR 124 CO 0.16 -0.03 0.14 -1.01 -1.11 0.00 0.00 175.55 173.69 2k0r s HIS 125 N -0.45 0.10 0.39 2.71 3.76 -1.26 -2.59 115.29 117.95 2k0r s HIS 125 Ca -0.02 -0.28 -0.26 0.00 -0.15 0.00 0.00 55.06 54.35 2k0r s HIS 125 Cb -0.04 -0.08 -0.09 0.00 1.11 0.00 0.00 32.58 33.49 2k0r s HIS 125 CO -0.00 -0.34 1.19 -1.25 -0.85 0.00 0.00 174.74 173.49 2k0r s PRO 126 N -2.02 4.10 -0.65 8.40 0.04 -1.26 -4.95 135.00 138.67 2k0r s PRO 126 Ca -0.10 1.91 -0.03 0.00 0.04 0.00 0.00 61.00 62.83 2k0r s PRO 126 Cb -0.04 -2.75 0.22 0.00 0.04 0.00 0.00 34.50 31.97 2k0r s PRO 126 CO -0.01 -0.30 2.35 1.04 0.04 0.00 0.00 177.00 180.12 2k0r n GLN 127 N 0.21 2.56 0.00 4.56 6.02 -1.26 -5.19 117.38 124.28 2k0r n GLN 127 Ca 0.03 -2.93 0.00 0.00 -0.01 0.00 0.00 57.00 54.10 2k0r n GLN 127 Cb 0.46 -2.19 0.00 0.00 1.02 0.00 0.00 30.24 29.52 2k0r n GLN 127 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46