#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 -2.59 -2.53 3.17 0.00 -1.26 -4.32 120.51 112.98 2k0r n ALA 2 Ca 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 53.44 53.25 2k0r n ALA 2 Cb 0.00 -2.80 -0.04 0.00 0.00 0.00 0.00 19.45 16.60 2k0r n ALA 2 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k0r n LEU 3 N -3.04 -6.06 0.00 0.00 0.00 -1.26 -5.05 117.00 101.60 2k0r n LEU 3 Ca -0.11 2.09 0.00 0.00 0.00 0.00 0.00 56.01 57.99 2k0r n LEU 3 Cb 0.59 -3.15 0.00 0.00 0.00 0.00 0.00 43.42 40.86 2k0r n LEU 3 CO 0.61 -3.72 0.00 -0.67 0.00 0.00 0.00 177.39 173.61 2k0r n ASP 4 N 1.49 0.00 -0.98 1.96 2.03 -1.26 -5.14 116.55 114.66 2k0r n ASP 4 Ca -0.36 -0.99 0.00 0.00 0.52 0.00 0.00 54.79 53.96 2k0r n ASP 4 Cb 0.56 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 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 -1.09 -1.67 0.00 -1.26 -4.59 120.51 108.90 2k0r n ALA 5 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2k0r n ALA 5 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 -2.72 -6.49 -1.53 0.00 4.13 -1.26 -3.96 115.26 103.43 2k0r n ASN 6 Ca 0.00 0.74 0.02 0.00 1.68 0.00 0.00 54.58 57.02 2k0r n ASN 6 Cb 0.00 -2.09 0.26 0.00 -1.54 0.00 0.00 39.78 36.41 2k0r n ASN 6 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 2k0r n ASP 7 N -3.23 4.20 0.26 6.41 5.75 -1.26 -3.86 116.55 124.83 2k0r n ASP 7 Ca 0.00 -2.72 0.16 0.00 -0.01 0.00 0.00 54.79 52.23 2k0r n ASP 7 Cb 0.32 -0.65 0.58 0.00 -1.03 0.00 0.00 41.12 40.34 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 2.54 0.00 -9.78 -2.12 -0.00 -1.97 -3.44 115.31 100.53 2k0r h LEU 8 Ca 0.06 0.00 -0.52 0.00 -0.00 0.00 0.00 57.88 57.42 2k0r h LEU 8 Cb 1.65 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 42.24 2k0r h LEU 8 CO 0.41 0.00 -0.57 -1.48 -0.00 0.00 0.00 178.44 176.80 2k0r s LEU 9 N -6.08 3.61 0.94 1.67 0.05 -1.26 -5.12 118.68 112.48 2k0r s LEU 9 Ca 0.03 -0.38 -0.12 0.00 0.05 0.00 0.00 54.13 53.71 2k0r s LEU 9 Cb 0.08 -2.14 0.16 0.00 -2.05 0.00 0.00 46.19 42.24 2k0r s LEU 9 CO 0.56 -0.02 1.09 -2.16 -0.55 0.00 0.00 176.35 175.27 2k0r s PRO 10 N -3.76 0.87 0.49 1.48 0.04 -1.26 -4.80 135.00 128.06 2k0r s PRO 10 Ca 0.32 0.69 0.28 0.00 0.04 0.00 0.00 61.00 62.33 2k0r s PRO 10 Cb -0.07 -1.77 1.18 0.00 0.04 0.00 0.00 34.50 33.87 2k0r s PRO 10 CO 0.23 -2.47 1.93 -1.00 0.04 0.00 0.00 177.00 175.73 2k0r h PRO 11 N -1.71 0.00 -0.19 0.56 0.13 -1.97 0.61 132.00 129.43 2k0r h PRO 11 Ca -0.52 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.48 2k0r h PRO 11 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2k0r h PRO 11 CO 0.56 0.13 -0.39 1.05 -0.23 0.00 0.00 178.00 179.12 2k0r h GLU 12 N 0.00 0.59 0.00 0.86 4.11 -1.92 -3.21 114.58 115.01 2k0r h GLU 12 Ca -0.00 -0.39 0.00 0.00 0.07 0.00 0.00 59.36 59.04 2k0r h GLU 12 Cb 0.59 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2k0r h GLU 12 CO 0.02 1.01 -0.75 1.17 0.07 0.00 0.00 179.01 180.52 2k0r n LYS 13 N -4.26 0.27 0.25 1.06 0.00 -1.17 -3.88 118.16 110.44 2k0r n LYS 13 Ca -0.06 0.05 0.12 0.00 0.00 0.00 0.00 58.31 58.42 2k0r n LYS 13 Cb 0.53 -1.64 0.64 0.00 0.00 0.00 0.00 35.03 34.56 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 2.55 1.19 -3.64 3.14 0.00 -0.87 -3.42 119.26 118.21 2k0r h ALA 14 Ca 0.00 -0.14 -0.68 0.00 0.00 0.00 0.00 54.91 54.08 2k0r h ALA 14 Cb 0.73 -0.03 -0.31 0.00 0.00 0.00 0.00 17.79 18.18 2k0r h ALA 14 CO 0.00 0.20 -0.86 -0.06 0.00 0.00 0.00 179.25 178.53 2k0r s PHE 15 N -4.01 2.55 -0.65 0.00 0.08 -1.23 -0.04 117.98 114.68 2k0r s PHE 15 Ca -0.02 -0.83 0.05 0.00 0.12 0.00 0.00 56.93 56.25 2k0r s PHE 15 Cb 0.12 -1.68 0.16 0.00 -0.57 0.00 0.00 43.02 41.05 2k0r s PHE 15 CO 0.60 -0.29 0.44 0.08 -0.10 0.00 0.00 175.22 175.95 2k0r s VAL 16 N 0.09 2.70 0.35 -0.44 1.01 0.85 -4.91 120.40 120.06 2k0r s VAL 16 Ca -0.11 -4.00 -0.27 0.00 0.00 0.00 0.00 61.98 57.60 2k0r s VAL 16 Cb -0.16 -2.80 -0.09 0.00 0.00 0.00 0.00 36.38 33.33 2k0r s VAL 16 CO 0.06 -0.98 1.21 -2.16 0.00 0.00 0.00 175.10 173.23 2k0r s PRO 17 N -1.15 4.26 -0.07 2.72 0.04 -1.26 -1.59 135.00 137.96 2k0r s PRO 17 Ca 0.24 1.98 -0.03 0.00 0.04 0.00 0.00 61.00 63.22 2k0r s PRO 17 Cb -0.08 -2.91 0.04 0.00 0.04 0.00 0.00 34.50 31.58 2k0r s PRO 17 CO -0.13 -0.18 0.15 -2.00 0.04 0.00 0.00 177.00 174.87 2k0r s GLU 18 N -1.96 0.08 0.01 4.56 2.12 0.13 -4.88 118.70 118.76 2k0r s GLU 18 Ca 0.52 0.40 0.00 0.00 0.36 0.00 0.00 54.97 56.25 2k0r s GLU 18 Cb -0.34 -0.20 -0.04 0.00 0.26 0.00 0.00 34.13 33.81 2k0r s GLU 18 CO 0.44 -0.19 0.07 -1.17 -0.54 0.00 0.00 175.26 173.88 2k0r s LEU 19 N 1.35 3.83 -0.26 2.70 1.98 -1.06 -0.75 118.68 126.48 2k0r s LEU 19 Ca -0.07 0.10 -0.02 0.00 -2.89 0.00 0.00 54.13 51.25 2k0r s LEU 19 Cb -0.12 -2.28 0.12 0.00 0.66 0.00 0.00 46.19 44.57 2k0r s LEU 19 CO -0.06 0.25 0.29 0.00 -1.89 0.00 0.00 176.35 174.95 2k0r s ALA 20 N -1.22 -0.55 0.20 5.97 0.00 0.63 -3.18 121.76 123.61 2k0r s ALA 20 Ca 0.24 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 51.98 2k0r s ALA 20 Cb -0.12 -1.66 -0.08 0.00 0.00 0.00 0.00 23.12 21.26 2k0r s ALA 20 CO 0.15 -1.50 1.03 0.08 0.00 0.00 0.00 175.76 175.52 2k0r s VAL 21 N 2.39 3.97 0.35 0.00 1.01 -0.23 -0.72 120.40 127.18 2k0r s VAL 21 Ca 0.09 1.81 0.02 0.00 0.00 0.00 0.00 61.98 63.90 2k0r s VAL 21 Cb -0.15 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 2k0r s VAL 21 CO -0.24 0.36 0.06 0.00 0.00 0.00 0.00 175.10 175.28 2k0r n ALA 22 N 1.99 0.39 0.26 5.51 0.00 0.10 -4.78 120.51 123.99 2k0r n ALA 22 Ca 0.01 -1.66 0.12 0.00 0.00 0.00 0.00 53.44 51.90 2k0r n ALA 22 Cb 0.47 1.02 0.05 0.00 0.00 0.00 0.00 19.45 20.99 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 1.11 0.00 -0.17 0.00 3.58 -2.02 -3.33 116.42 115.59 2k0r h ASP 23 Ca -0.28 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.09 2k0r h ASP 23 Cb 0.95 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.00 2k0r h ASP 23 CO 0.45 0.04 0.00 0.47 -2.88 0.00 0.00 179.24 177.32 2k0r n ASP 24 N -2.51 2.95 0.00 2.28 8.00 -1.26 -5.03 116.55 120.98 2k0r n ASP 24 Ca 0.01 -2.63 0.00 0.00 0.71 0.00 0.00 54.79 52.89 2k0r n ASP 24 Cb 0.51 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 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 0.72 3.30 0.44 0.00 -1.25 -3.46 105.19 104.43 2k0r n GLY 25 Ca 0.14 -1.85 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.87 2.01 -0.11 1.61 1.01 -0.46 0.02 120.40 122.61 2k0r s VAL 26 Ca 0.00 -1.08 0.03 0.00 0.00 0.00 0.00 61.98 60.92 2k0r s VAL 26 Cb 0.00 -1.67 -0.00 0.00 0.00 0.00 0.00 36.38 34.71 2k0r s VAL 26 CO 0.00 0.57 -0.21 0.20 0.00 0.00 0.00 175.10 175.66 2k0r s ASN 27 N -0.56 3.31 -0.09 3.32 0.01 0.11 0.33 114.94 121.36 2k0r s ASN 27 Ca 0.09 -0.51 0.02 0.00 -0.71 0.00 0.00 52.86 51.74 2k0r s ASN 27 Cb -0.10 -1.46 0.01 0.00 0.41 0.00 0.00 41.25 40.11 2k0r s ASN 27 CO -0.01 0.15 -0.14 0.54 -1.51 0.00 0.00 177.10 176.14 2k0r s VAL 28 N 0.40 1.35 -0.06 1.60 0.11 -0.71 -0.26 120.40 122.82 2k0r s VAL 28 Ca -0.16 -0.57 0.02 0.00 -2.93 0.00 0.00 61.98 58.35 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 0.07 0.41 -0.12 -0.60 -3.33 0.00 0.00 175.10 171.53 2k0r s ARG 29 N 0.92 1.62 -0.14 1.54 3.00 0.08 -0.17 118.95 125.79 2k0r s ARG 29 Ca -0.09 -0.42 0.01 0.00 -1.00 0.00 0.00 55.73 54.23 2k0r s ARG 29 Cb -0.15 -1.36 0.02 0.00 0.00 0.00 0.00 34.95 33.46 2k0r s ARG 29 CO 0.00 0.06 -0.17 -0.59 0.00 0.00 0.00 175.30 174.60 2k0r s PHE 30 N 0.55 2.29 -0.33 5.12 -0.71 0.14 0.22 117.98 125.25 2k0r s PHE 30 Ca -0.12 -1.22 -0.23 0.00 -1.04 0.00 0.00 56.93 54.31 2k0r s PHE 30 Cb -0.15 -1.63 0.00 0.00 -1.21 0.00 0.00 43.02 40.03 2k0r s PHE 30 CO 0.03 -0.63 0.78 1.03 -1.34 0.00 0.00 175.22 175.09 2k0r s ARG 31 N 1.20 3.86 0.00 1.99 0.52 -0.62 -3.01 118.95 122.90 2k0r s ARG 31 Ca -0.00 0.44 -0.03 0.00 -0.52 0.00 0.00 55.73 55.61 2k0r s ARG 31 Cb -0.14 -3.77 -0.04 0.00 0.52 0.00 0.00 34.95 31.52 2k0r s ARG 31 CO -0.07 -0.75 0.21 0.42 0.02 0.00 0.00 175.30 175.13 2k0r s ILE 32 N 3.00 5.40 0.51 1.52 1.01 0.10 -0.11 121.20 132.63 2k0r s ILE 32 Ca 0.31 -0.10 -0.22 0.00 0.00 0.00 0.00 60.65 60.64 2k0r s ILE 32 Cb -0.14 -3.55 -0.06 0.00 0.01 0.00 0.00 42.46 38.72 2k0r s ILE 32 CO 0.14 0.31 1.29 0.00 0.00 0.00 0.00 174.94 176.69 2k0r s ALA 33 N -1.35 2.90 0.66 9.38 0.00 0.95 -4.16 121.76 130.15 2k0r s ALA 33 Ca 0.28 1.20 0.40 0.00 0.00 0.00 0.00 51.96 53.85 2k0r s ALA 33 Cb -0.13 -3.50 2.22 0.00 0.00 0.00 0.00 23.12 21.70 2k0r s ALA 33 CO 0.19 -1.11 2.27 0.22 0.00 0.00 0.00 175.76 177.33 2k0r h ASP 34 N 1.74 0.00 -0.18 0.00 1.82 -1.81 0.21 116.42 118.20 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 0.59 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.83 2k0r n GLY 35 N -1.14 0.38 3.24 -0.78 0.00 -1.25 -4.64 105.19 101.00 2k0r n GLY 35 Ca -0.03 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 2k0r n GLY 35 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0r s TYR 36 N -1.78 1.22 -0.19 1.61 2.02 0.72 -0.89 117.35 120.07 2k0r s TYR 36 Ca 0.33 -0.84 -0.14 0.00 -0.37 0.00 0.00 57.07 56.05 2k0r s TYR 36 Cb 0.18 -0.65 0.06 0.00 -0.40 0.00 0.00 41.96 41.14 2k0r s TYR 36 CO 0.27 -0.01 0.49 1.52 -1.57 0.00 0.00 175.55 176.25 2k0r s TYR 37 N -3.43 -0.64 -0.11 2.71 -0.85 0.05 -4.54 117.35 110.54 2k0r s TYR 37 Ca 0.18 1.43 0.01 0.00 -0.52 0.00 0.00 57.07 58.17 2k0r s TYR 37 Cb 0.04 0.28 -0.02 0.00 0.38 0.00 0.00 41.96 42.64 2k0r s TYR 37 CO 0.01 -0.33 -0.13 -1.64 -1.52 0.00 0.00 175.55 171.94 2k0r s MET 38 N 0.91 3.15 -0.06 -3.49 -1.94 -1.04 -0.96 119.30 115.87 2k0r s MET 38 Ca -0.05 -0.67 -0.30 0.00 -1.71 0.00 0.00 55.69 52.96 2k0r s MET 38 Cb -0.06 -2.58 -0.05 0.00 2.01 0.00 0.00 34.83 34.16 2k0r s MET 38 CO -0.08 0.34 1.49 0.71 -0.01 0.00 0.00 175.02 177.47 2k0r s TYR 39 N 0.03 2.45 0.48 -0.03 2.02 -1.17 -1.48 117.35 119.66 2k0r s TYR 39 Ca -0.04 0.57 0.27 0.00 -0.37 0.00 0.00 57.07 57.50 2k0r s TYR 39 Cb -0.14 -3.75 1.33 0.00 -0.40 0.00 0.00 41.96 39.00 2k0r s TYR 39 CO 0.04 -2.94 1.84 0.37 -1.57 0.00 0.00 175.55 173.29 2k0r h GLN 40 N 8.68 0.17 -0.20 -0.62 4.15 -0.68 0.37 115.11 126.98 2k0r h GLN 40 Ca -0.36 -0.01 -0.18 0.00 0.77 0.00 0.00 58.65 58.88 2k0r h GLN 40 Cb 1.16 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.81 2k0r h GLN 40 CO 0.94 0.11 -0.58 0.00 -1.93 0.00 0.00 178.83 177.37 2k0r h ALA 41 N 1.55 0.59 0.01 3.38 0.00 -1.90 -3.16 119.26 119.72 2k0r h ALA 41 Ca 0.50 -0.53 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 2k0r h ALA 41 Cb 1.65 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 2k0r h ALA 41 CO -0.11 0.69 -0.89 0.87 0.00 0.00 0.00 179.25 179.82 2k0r h LYS 42 N 0.50 0.16 -6.20 0.00 6.56 -0.72 -3.43 116.57 113.44 2k0r h LYS 42 Ca 0.00 -0.19 -0.57 0.00 -1.06 0.00 0.00 60.65 58.83 2k0r h LYS 42 Cb 1.16 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.86 2k0r h LYS 42 CO 0.12 0.95 1.29 0.42 -2.06 0.00 0.00 179.45 180.16 2k0r s ILE 43 N -3.16 3.34 0.01 1.86 1.01 0.50 -4.60 121.20 120.16 2k0r s ILE 43 Ca -0.02 0.37 0.03 0.00 0.00 0.00 0.00 60.65 61.02 2k0r s ILE 43 Cb 0.10 -3.39 -0.03 0.00 0.01 0.00 0.00 42.46 39.15 2k0r s ILE 43 CO 0.82 -0.20 -0.05 -0.69 0.00 0.00 0.00 174.94 174.83 2k0r s VAL 44 N 6.50 3.80 -0.30 2.92 1.01 0.24 -4.94 120.40 129.63 2k0r s VAL 44 Ca 0.85 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.98 2k0r s VAL 44 Cb -0.29 -2.67 0.18 0.00 0.00 0.00 0.00 36.38 33.59 2k0r s VAL 44 CO 0.34 0.37 0.88 -0.83 0.00 0.00 0.00 175.10 175.85 2k0r s GLY 45 N -1.52 -0.55 0.02 4.51 0.00 -1.25 0.00 107.32 108.53 2k0r s GLY 45 Ca 0.18 2.49 -0.01 0.00 0.00 0.00 0.00 44.72 47.38 2k0r s GLY 45 CO 0.09 3.56 0.00 -1.59 0.00 0.00 0.00 173.10 175.16 2k0r s LYS 46 N 2.85 0.36 -0.06 2.90 0.00 -0.85 -4.76 119.74 120.17 2k0r s LYS 46 Ca 0.06 -0.59 -0.03 0.00 0.00 0.00 0.00 55.97 55.41 2k0r s LYS 46 Cb -0.11 0.13 0.04 0.00 0.00 0.00 0.00 37.83 37.89 2k0r s LYS 46 CO -0.16 -0.07 0.13 -0.08 0.00 0.00 0.00 175.35 175.18 2k0r s THR 47 N -1.54 -0.12 -0.23 3.79 -1.32 -1.26 -0.86 115.64 114.10 2k0r s THR 47 Ca -0.15 0.26 -0.33 0.00 -1.21 0.00 0.00 61.69 60.26 2k0r s THR 47 Cb -0.09 -0.23 0.16 0.00 -1.51 0.00 0.00 72.50 70.82 2k0r s THR 47 CO -0.01 0.11 1.25 0.54 -2.21 0.00 0.00 174.62 174.30 2k0r s ASN 48 N 1.60 -0.12 0.13 8.08 2.20 0.17 -4.56 114.94 122.44 2k0r s ASN 48 Ca -0.04 0.06 -0.12 0.00 -0.94 0.00 0.00 52.86 51.82 2k0r s ASN 48 Cb -0.12 0.11 -0.05 0.00 -2.00 0.00 0.00 41.25 39.19 2k0r s ASN 48 CO -0.05 -0.16 1.46 1.55 -2.94 0.00 0.00 177.10 176.96 2k0r h PRO 49 N 2.08 0.89 0.00 3.55 0.13 -1.83 -1.79 132.00 135.03 2k0r h PRO 49 Ca -0.09 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 2k0r h PRO 49 Cb 1.17 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2k0r h PRO 49 CO 0.23 1.11 0.00 0.00 -0.23 0.00 0.00 178.00 179.11 2k0r n ALA 50 N -2.53 1.15 0.00 -0.56 0.00 -1.26 -4.71 120.51 112.59 2k0r n ALA 50 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2k0r n ALA 50 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2k0r n ALA 50 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k0r n ASP 51 N -2.28 0.00 -0.13 0.00 -0.08 -1.26 -5.03 116.55 107.77 2k0r n ASP 51 Ca 0.00 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.08 2k0r n ASP 51 Cb 0.00 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.34 2k0r n ASP 51 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2k0r n LEU 52 N 0.00 2.82 -4.57 -2.67 4.32 -1.26 -4.99 117.00 110.66 2k0r n LEU 52 Ca 0.00 -0.07 -0.41 0.00 -0.02 0.00 0.00 56.01 55.52 2k0r n LEU 52 Cb 0.00 -0.88 0.02 0.00 -1.62 0.00 0.00 43.42 40.93 2k0r n LEU 52 CO 0.00 0.88 0.45 -0.11 -1.22 0.00 0.00 177.39 177.39 2k0r n LEU 53 N -3.40 2.14 0.00 2.23 7.94 -1.26 -3.44 117.00 121.21 2k0r n LEU 53 Ca -0.47 0.96 0.00 0.00 -1.11 0.00 0.00 56.01 55.39 2k0r n LEU 53 Cb 0.97 -1.30 0.00 0.00 0.53 0.00 0.00 43.42 43.62 2k0r n LEU 53 CO 0.22 -1.91 0.00 0.61 -1.11 0.00 0.00 177.39 175.20 2k0r n GLY 54 N 1.35 0.82 3.06 -3.96 0.00 -1.09 -4.70 105.19 100.67 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 -0.86 0.00 0.00 0.00 173.32 172.46 2k0r s GLN 55 N 0.00 0.53 0.59 1.61 -2.07 -1.26 -5.01 119.66 114.04 2k0r s GLN 55 Ca 0.00 -1.02 -0.18 0.00 -1.82 0.00 0.00 55.36 52.34 2k0r s GLN 55 Cb 0.00 0.14 -0.04 0.00 -1.09 0.00 0.00 33.01 32.02 2k0r s GLN 55 CO 0.00 -0.08 1.12 -1.25 -1.32 0.00 0.00 175.29 173.76 2k0r s PRO 56 N -3.07 3.15 -0.42 9.60 0.04 -1.26 -4.24 135.00 138.81 2k0r s PRO 56 Ca -0.00 1.53 0.02 0.00 0.04 0.00 0.00 61.00 62.59 2k0r s PRO 56 Cb 0.02 -1.98 0.13 0.00 0.04 0.00 0.00 34.50 32.70 2k0r s PRO 56 CO -0.07 -1.00 0.22 0.45 0.04 0.00 0.00 177.00 176.65 2k0r s SER 57 N -2.06 3.66 0.69 6.66 0.15 0.10 -4.92 113.70 117.97 2k0r s SER 57 Ca 0.71 -2.48 -0.17 0.00 0.70 0.00 0.00 55.95 54.71 2k0r s SER 57 Cb -0.23 -0.98 0.01 0.00 -1.71 0.00 0.00 66.02 63.12 2k0r s SER 57 CO 0.32 -0.29 1.24 -0.36 1.20 0.00 0.00 173.24 175.36 2k0r s PHE 58 N 0.54 2.07 -1.73 3.44 0.08 -1.26 -0.15 117.98 120.98 2k0r s PHE 58 Ca 0.17 1.55 0.28 0.00 0.12 0.00 0.00 56.93 59.04 2k0r s PHE 58 Cb -0.24 -3.57 1.54 0.00 -0.57 0.00 0.00 43.02 40.18 2k0r s PHE 58 CO -0.02 -2.73 1.98 0.45 -0.10 0.00 0.00 175.22 174.80 2k0r n SER 59 N -2.30 0.00 -1.44 1.36 2.88 0.89 -4.86 113.62 110.15 2k0r n SER 59 Ca 0.15 -0.51 0.00 0.00 -1.33 0.00 0.00 58.87 57.17 2k0r n SER 59 Cb 0.49 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 2k0r n SER 59 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2k0r n LYS 60 N -1.14 -3.74 0.00 -1.46 0.00 -1.26 -5.01 118.16 105.56 2k0r n LYS 60 Ca 0.17 2.75 0.00 0.00 0.00 0.00 0.00 58.31 61.23 2k0r n LYS 60 Cb 0.15 -2.90 0.00 0.00 0.00 0.00 0.00 35.03 32.28 2k0r n LYS 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k0r n GLY 61 N 0.77 2.68 3.35 3.14 0.00 -1.26 -5.06 105.19 108.81 2k0r n GLY 61 Ca 0.00 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 2k0r n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0r s GLU 62 N 4.21 3.12 -0.17 1.61 2.02 -0.49 -4.87 118.70 124.13 2k0r s GLU 62 Ca 0.00 -0.74 -0.24 0.00 0.02 0.00 0.00 54.97 54.01 2k0r s GLU 62 Cb 0.00 -2.50 -0.02 0.00 0.10 0.00 0.00 34.13 31.72 2k0r s GLU 62 CO 0.00 0.28 0.77 -2.00 0.02 0.00 0.00 175.26 174.34 2k0r s GLU 63 N 0.14 4.29 0.10 1.61 2.12 -1.26 -0.11 118.70 125.59 2k0r s GLU 63 Ca -0.08 0.91 0.04 0.00 0.36 0.00 0.00 54.97 56.19 2k0r s GLU 63 Cb -0.15 -3.56 -0.04 0.00 0.26 0.00 0.00 34.13 30.64 2k0r s GLU 63 CO 0.05 -0.27 -0.10 -1.59 -0.54 0.00 0.00 175.26 172.81 2k0r s LYS 64 N 1.97 0.84 -0.11 4.30 0.00 -0.20 -4.94 119.74 121.60 2k0r s LYS 64 Ca 0.36 -1.16 -0.00 0.00 0.00 0.00 0.00 55.97 55.17 2k0r s LYS 64 Cb -0.16 -0.52 -0.02 0.00 0.00 0.00 0.00 37.83 37.12 2k0r s LYS 64 CO 0.12 0.08 -0.09 -1.21 0.00 0.00 0.00 175.35 174.25 2k0r s GLU 65 N -2.80 3.22 0.00 1.78 8.01 -1.25 -1.61 118.70 126.05 2k0r s GLU 65 Ca 0.05 -0.61 0.00 0.00 0.01 0.00 0.00 54.97 54.42 2k0r s GLU 65 Cb -0.03 -2.67 0.00 0.00 -4.31 0.00 0.00 34.13 27.13 2k0r s GLU 65 CO -0.00 0.37 0.00 -3.47 0.01 0.00 0.00 175.26 172.16 2k0r n ASP 66 N 3.11 0.00 -0.10 -0.19 2.03 0.21 -4.92 116.55 116.68 2k0r n ASP 66 Ca -0.18 -0.88 0.06 0.00 0.52 0.00 0.00 54.79 54.31 2k0r n ASP 66 Cb 0.53 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.88 2k0r n ASP 66 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2k0r n GLU 67 N 0.00 2.73 0.00 -0.67 0.28 -1.26 -2.46 120.64 119.26 2k0r n GLU 67 Ca 0.00 -0.25 0.15 0.00 -0.16 0.00 0.00 57.16 56.90 2k0r n GLU 67 Cb 0.00 -1.08 0.74 0.00 1.43 0.00 0.00 31.44 32.53 2k0r n GLU 67 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2k0r n PHE 68 N -0.88 0.00 0.00 -1.84 3.01 -1.26 -4.60 117.46 111.88 2k0r n PHE 68 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 2k0r n PHE 68 Cb 0.21 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.62 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 -0.69 0.00 0.00 1.38 -1.74 -1.26 -5.16 117.46 109.99 2k0r n PHE 69 Ca 0.20 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.09 2k0r n PHE 69 Cb 0.22 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 -0.39 0.24 3.32 4.97 0.00 -1.03 -4.92 105.19 107.38 2k0r n GLY 70 Ca 0.00 -1.86 -0.44 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 2.86 0.33 1.61 1.04 -1.26 -0.62 118.95 122.91 2k0r s ARG 71 Ca 0.00 -1.54 -0.09 0.00 -1.04 0.00 0.00 55.73 53.06 2k0r s ARG 71 Cb 0.00 -4.11 0.01 0.00 -2.04 0.00 0.00 34.95 28.82 2k0r s ARG 71 CO 0.00 -1.14 0.57 -0.65 -0.04 0.00 0.00 175.30 174.04 2k0r s GLN 72 N 1.56 1.89 0.33 3.89 -1.52 -0.63 -4.94 119.66 120.24 2k0r s GLN 72 Ca 0.04 -1.51 -0.26 0.00 -1.95 0.00 0.00 55.36 51.68 2k0r s GLN 72 Cb -0.26 0.50 -0.09 0.00 -0.22 0.00 0.00 33.01 32.94 2k0r s GLN 72 CO 0.04 -0.82 1.00 0.99 -0.25 0.00 0.00 175.29 176.25 2k0r s THR 73 N -3.17 3.93 0.10 -0.19 2.01 -1.26 -1.03 115.64 116.03 2k0r s THR 73 Ca 0.24 1.64 -0.05 0.00 0.31 0.00 0.00 61.69 63.83 2k0r s THR 73 Cb -0.02 -3.93 -0.02 0.00 0.01 0.00 0.00 72.50 68.54 2k0r s THR 73 CO 0.14 0.17 0.11 0.54 -0.69 0.00 0.00 174.62 174.89 2k0r s VAL 74 N -1.52 0.15 -0.07 3.82 0.11 0.84 0.08 120.40 123.82 2k0r s VAL 74 Ca 0.51 -1.56 0.05 0.00 -2.93 0.00 0.00 61.98 58.04 2k0r s VAL 74 Cb -0.22 -1.62 -0.01 0.00 -1.53 0.00 0.00 36.38 32.99 2k0r s VAL 74 CO 0.28 -0.67 -0.22 -0.31 -3.33 0.00 0.00 175.10 170.85 2k0r s TYR 75 N -3.93 2.53 -2.20 1.54 2.02 -0.55 -1.40 117.35 115.36 2k0r s TYR 75 Ca 0.11 -0.63 0.24 0.00 -0.37 0.00 0.00 57.07 56.42 2k0r s TYR 75 Cb 0.06 -1.64 0.20 0.00 -0.40 0.00 0.00 41.96 40.19 2k0r s TYR 75 CO -0.06 -0.16 1.23 -2.39 -1.57 0.00 0.00 175.55 172.60 2k0r n HIS 76 N 2.93 0.00 0.00 2.71 1.44 -1.26 -2.50 115.22 118.54 2k0r n HIS 76 Ca -0.17 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.54 2k0r n HIS 76 Cb 0.52 -0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.61 2k0r n HIS 76 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2k0r n HIS 77 N 0.14 -2.09 -2.65 -1.40 -0.00 -1.26 -4.12 115.22 103.85 2k0r n HIS 77 Ca 0.11 0.01 -0.42 0.00 -0.00 0.00 0.00 57.72 57.42 2k0r n HIS 77 Cb 0.47 0.43 -0.03 0.00 -0.00 0.00 0.00 29.99 30.86 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 4.49 -0.37 1.57 -1.05 -1.26 0.03 118.70 120.11 2k0r s GLU 78 Ca 0.00 1.48 0.05 0.00 -0.15 0.00 0.00 54.97 56.35 2k0r s GLU 78 Cb 0.00 -3.47 0.17 0.00 -0.44 0.00 0.00 34.13 30.38 2k0r s GLU 78 CO 0.00 -0.18 0.50 0.00 0.95 0.00 0.00 175.26 176.53 2k0r s ALA 79 N 1.37 -1.46 0.09 -0.84 0.00 -1.16 -4.76 121.76 115.00 2k0r s ALA 79 Ca 0.52 -0.18 0.09 0.00 0.00 0.00 0.00 51.96 52.39 2k0r s ALA 79 Cb -0.22 -2.37 -0.03 0.00 0.00 0.00 0.00 23.12 20.50 2k0r s ALA 79 CO 0.25 -2.09 -0.24 -1.14 0.00 0.00 0.00 175.76 172.54 2k0r s GLN 80 N 1.86 1.38 -0.01 0.00 0.74 -1.26 -0.69 119.66 121.69 2k0r s GLN 80 Ca 0.15 -1.17 0.02 0.00 0.05 0.00 0.00 55.36 54.40 2k0r s GLN 80 Cb -0.10 -1.68 -0.00 0.00 1.10 0.00 0.00 33.01 32.32 2k0r s GLN 80 CO -0.10 0.41 -0.06 0.08 -0.55 0.00 0.00 175.29 175.07 2k0r s VAL 81 N -1.00 0.47 -0.16 1.34 1.01 0.76 -0.08 120.40 122.75 2k0r s VAL 81 Ca 0.10 -0.24 -0.08 0.00 0.00 0.00 0.00 61.98 61.76 2k0r s VAL 81 Cb -0.10 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 2k0r s VAL 81 CO 0.04 0.14 0.12 0.00 0.00 0.00 0.00 175.10 175.39 2k0r s ALA 82 N -0.07 3.71 -0.73 5.51 0.00 0.79 -1.74 121.76 129.23 2k0r s ALA 82 Ca 0.01 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.32 2k0r s ALA 82 Cb -0.03 -2.01 0.18 0.00 0.00 0.00 0.00 23.12 21.26 2k0r s ALA 82 CO -0.00 0.39 0.54 -0.06 0.00 0.00 0.00 175.76 176.62 2k0r s PHE 83 N -0.32 3.60 0.18 0.00 0.08 0.15 0.02 117.98 121.71 2k0r s PHE 83 Ca 0.11 -3.22 -0.30 0.00 0.12 0.00 0.00 56.93 53.64 2k0r s PHE 83 Cb -0.12 -2.88 -0.09 0.00 -0.57 0.00 0.00 43.02 39.37 2k0r s PHE 83 CO 0.01 -0.63 1.31 -1.25 -0.10 0.00 0.00 175.22 174.57 2k0r s PRO 84 N -1.23 4.38 0.21 0.24 0.04 -1.26 -1.36 135.00 136.02 2k0r s PRO 84 Ca 0.24 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 63.03 2k0r s PRO 84 Cb -0.08 -3.21 -0.08 0.00 0.04 0.00 0.00 34.50 31.17 2k0r s PRO 84 CO -0.13 -0.27 1.18 0.71 0.04 0.00 0.00 177.00 178.52 2k0r s TYR 85 N 0.25 3.45 -2.50 0.56 2.02 -1.22 -2.67 117.35 117.23 2k0r s TYR 85 Ca 0.58 1.49 0.24 0.00 -0.37 0.00 0.00 57.07 59.01 2k0r s TYR 85 Cb -0.36 -3.40 0.22 0.00 -0.40 0.00 0.00 41.96 38.01 2k0r s TYR 85 CO 0.37 -1.06 1.25 0.00 -1.57 0.00 0.00 175.55 174.54 2k0r n ALA 86 N 2.13 2.94 -3.39 3.71 0.00 -1.22 -4.73 120.51 119.95 2k0r n ALA 86 Ca 0.03 -0.63 -0.15 0.00 0.00 0.00 0.00 53.44 52.68 2k0r n ALA 86 Cb 0.45 -0.85 -0.08 0.00 0.00 0.00 0.00 19.45 18.97 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 -2.22 0.79 0.08 0.00 2.47 -1.26 -4.94 119.74 114.67 2k0r s LYS 87 Ca 0.25 0.25 -0.30 0.00 -1.56 0.00 0.00 55.97 54.61 2k0r s LYS 87 Cb 0.19 0.37 -0.05 0.00 -1.46 0.00 0.00 37.83 36.88 2k0r s LYS 87 CO 0.42 -0.20 1.04 0.00 0.16 0.00 0.00 175.35 176.77 2k0r s ALA 88 N -0.78 3.27 -0.30 3.13 0.00 -1.26 -4.97 121.76 120.85 2k0r s ALA 88 Ca -0.08 0.67 -0.18 0.00 0.00 0.00 0.00 51.96 52.36 2k0r s ALA 88 Cb -0.03 -3.34 0.21 0.00 0.00 0.00 0.00 23.12 19.95 2k0r s ALA 88 CO 0.05 -0.20 1.31 0.54 0.00 0.00 0.00 175.76 177.46 2k0r s VAL 89 N 0.43 0.00 -0.50 0.00 0.11 -1.26 -5.04 120.40 114.15 2k0r s VAL 89 Ca 0.51 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.59 2k0r s VAL 89 Cb -0.25 -1.00 0.56 0.00 -1.53 0.00 0.00 36.38 34.16 2k0r s VAL 89 CO 0.30 0.00 1.86 0.61 -3.33 0.00 0.00 175.10 174.54 2k0r n GLY 90 N 2.72 5.15 3.91 6.54 0.00 -1.26 -4.98 105.19 117.27 2k0r n GLY 90 Ca -0.16 -1.63 -0.21 0.00 0.00 0.00 0.00 46.02 44.03 2k0r n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0r s GLU 91 N -3.50 3.12 0.60 1.61 2.02 -1.26 -5.10 118.70 116.19 2k0r s GLU 91 Ca 0.58 -0.97 -0.17 0.00 0.02 0.00 0.00 54.97 54.42 2k0r s GLU 91 Cb 0.48 -2.72 -0.03 0.00 0.10 0.00 0.00 34.13 31.96 2k0r s GLU 91 CO 0.05 0.30 1.12 -1.25 0.02 0.00 0.00 175.26 175.50 2k0r s PRO 92 N -3.98 3.10 0.17 0.39 0.04 -1.26 -4.98 135.00 128.48 2k0r s PRO 92 Ca 0.37 1.51 -0.02 0.00 0.04 0.00 0.00 61.00 62.90 2k0r s PRO 92 Cb -0.08 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 2k0r s PRO 92 CO 0.28 -1.03 0.12 1.52 0.04 0.00 0.00 177.00 177.92 2k0r s TYR 93 N -2.03 0.97 0.03 0.56 1.13 -0.85 -4.52 117.35 112.64 2k0r s TYR 93 Ca 0.70 -1.27 0.02 0.00 -1.41 0.00 0.00 57.07 55.11 2k0r s TYR 93 Cb -0.22 -0.48 -0.04 0.00 -1.10 0.00 0.00 41.96 40.12 2k0r s TYR 93 CO 0.34 -0.60 0.06 0.21 -2.51 0.00 0.00 175.55 173.04 2k0r s LYS 94 N -4.10 2.91 0.04 -3.49 2.36 -0.67 -1.35 119.74 115.44 2k0r s LYS 94 Ca 0.31 -0.60 0.07 0.00 -2.55 0.00 0.00 55.97 53.19 2k0r s LYS 94 Cb 0.07 -2.75 -0.02 0.00 -1.05 0.00 0.00 37.83 34.07 2k0r s LYS 94 CO 0.07 0.61 -0.19 -1.17 1.55 0.00 0.00 175.35 176.22 2k0r s LEU 95 N -1.96 2.16 -0.07 5.43 0.20 0.43 -0.66 118.68 124.22 2k0r s LEU 95 Ca 0.25 -0.50 -0.02 0.00 0.69 0.00 0.00 54.13 54.55 2k0r s LEU 95 Cb -0.12 -0.86 0.03 0.00 -0.43 0.00 0.00 46.19 44.81 2k0r s LEU 95 CO 0.16 0.13 0.04 0.54 -0.29 0.00 0.00 176.35 176.92 2k0r s VAL 96 N -0.80 0.13 -0.06 1.68 0.11 -0.04 -0.04 120.40 121.38 2k0r s VAL 96 Ca 0.06 0.21 0.05 0.00 -2.93 0.00 0.00 61.98 59.36 2k0r s VAL 96 Cb -0.08 -0.39 -0.02 0.00 -1.53 0.00 0.00 36.38 34.36 2k0r s VAL 96 CO 0.02 0.17 -0.20 -0.76 -3.33 0.00 0.00 175.10 171.00 2k0r s LEU 97 N 2.07 2.40 -0.08 2.54 2.01 0.11 -2.01 118.68 125.72 2k0r s LEU 97 Ca 0.05 -0.37 0.00 0.00 0.01 0.00 0.00 54.13 53.82 2k0r s LEU 97 Cb -0.13 -1.47 0.02 0.00 0.01 0.00 0.00 46.19 44.63 2k0r s LEU 97 CO -0.05 0.28 -0.05 -0.89 1.01 0.00 0.00 176.35 176.65 2k0r s THR 98 N -0.33 0.74 -0.09 5.49 2.01 0.10 -0.23 115.64 123.33 2k0r s THR 98 Ca 0.02 -0.16 0.02 0.00 0.31 0.00 0.00 61.69 61.88 2k0r s THR 98 Cb -0.13 -0.79 -0.02 0.00 0.01 0.00 0.00 72.50 71.58 2k0r s THR 98 CO 0.02 0.30 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.79 2k0r s TYR 99 N 1.44 2.71 -0.22 4.92 2.02 -0.42 -0.59 117.35 127.21 2k0r s TYR 99 Ca -0.02 -0.51 -0.10 0.00 -0.37 0.00 0.00 57.07 56.08 2k0r s TYR 99 Cb -0.13 -1.73 0.09 0.00 -0.40 0.00 0.00 41.96 39.78 2k0r s TYR 99 CO -0.04 -0.09 0.50 -1.14 -1.57 0.00 0.00 175.55 173.22 2k0r s GLN 100 N -0.08 0.45 0.00 -0.62 0.74 -1.26 -0.93 119.66 117.96 2k0r s GLN 100 Ca -0.03 1.07 0.00 0.00 0.05 0.00 0.00 55.36 56.45 2k0r s GLN 100 Cb -0.14 0.29 0.00 0.00 1.10 0.00 0.00 33.01 34.26 2k0r s GLN 100 CO 0.04 -0.20 0.00 0.41 -0.55 0.00 0.00 175.29 174.99 2k0r n GLY 101 N 4.90 3.00 3.50 2.59 0.00 -1.26 -3.04 105.19 114.88 2k0r n GLY 101 Ca -0.15 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 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 2.00 -0.05 0.05 1.61 0.01 -0.13 -3.97 113.70 113.22 2k0r s SER 102 Ca 0.00 -0.99 -0.18 0.00 1.31 0.00 0.00 55.95 56.09 2k0r s SER 102 Cb 0.00 0.54 -0.06 0.00 0.21 0.00 0.00 66.02 66.71 2k0r s SER 102 CO 0.00 -1.07 0.54 0.00 0.41 0.00 0.00 173.24 173.12 2k0r s ALA 103 N -4.03 3.61 0.64 1.44 0.00 0.88 -0.77 121.76 123.52 2k0r s ALA 103 Ca 0.24 -0.02 0.34 0.00 0.00 0.00 0.00 51.96 52.53 2k0r s ALA 103 Cb 0.01 -2.59 1.90 0.00 0.00 0.00 0.00 23.12 22.44 2k0r s ALA 103 CO 0.09 0.40 2.14 0.93 0.00 0.00 0.00 175.76 179.31 2k0r h GLU 104 N 4.66 0.00 0.00 0.00 5.08 -1.32 0.14 114.58 123.13 2k0r h GLU 104 Ca -0.50 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.72 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 0.63 0.00 -0.68 0.00 -1.00 0.00 0.00 179.01 177.97 2k0r h ALA 105 N 1.72 0.80 0.00 3.43 0.00 -1.93 -3.47 119.26 119.81 2k0r h ALA 105 Ca 0.03 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2k0r h ALA 105 Cb 0.38 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2k0r h ALA 105 CO -0.00 0.84 0.00 0.41 0.00 0.00 0.00 179.25 180.50 2k0r n GLY 106 N 0.59 0.92 3.25 0.00 0.00 0.47 -5.15 105.19 105.26 2k0r n GLY 106 Ca -0.01 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 -0.90 1.67 -0.15 1.61 1.01 -1.19 -4.94 120.40 117.52 2k0r s VAL 107 Ca 0.00 -1.15 0.02 0.00 0.00 0.00 0.00 61.98 60.85 2k0r s VAL 107 Cb 0.00 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 34.94 2k0r s VAL 107 CO 0.00 0.25 -0.20 0.00 0.00 0.00 0.00 175.10 175.15 2k0r s TYR 109 N 0.87 2.53 0.78 0.00 1.13 -1.26 -5.05 117.35 116.36 2k0r s TYR 109 Ca -0.05 -0.32 -0.11 0.00 -1.41 0.00 0.00 57.07 55.18 2k0r s TYR 109 Cb -0.15 -1.22 0.06 0.00 -1.10 0.00 0.00 41.96 39.54 2k0r s TYR 109 CO -0.03 0.61 1.09 -1.25 -2.51 0.00 0.00 175.55 173.46 2k0r s PRO 110 N -3.64 2.20 0.58 -3.49 0.04 -1.26 -4.68 135.00 124.74 2k0r s PRO 110 Ca 0.32 1.16 -0.18 0.00 0.04 0.00 0.00 61.00 62.34 2k0r s PRO 110 Cb -0.04 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 2k0r s PRO 110 CO 0.18 -1.68 1.12 -1.25 0.04 0.00 0.00 177.00 175.41 2k0r s PRO 111 N -4.90 3.17 -0.23 0.56 0.04 -1.26 -4.87 135.00 127.50 2k0r s PRO 111 Ca 0.61 1.53 0.01 0.00 0.04 0.00 0.00 61.00 63.20 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 -0.98 -0.09 0.08 0.04 0.00 0.00 177.00 176.61 2k0r s VAL 112 N -1.97 1.74 -0.15 -0.36 1.01 -0.10 -4.99 120.40 115.58 2k0r s VAL 112 Ca 0.71 -1.27 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 2k0r s VAL 112 Cb -0.23 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 2k0r s VAL 112 CO 0.32 0.01 0.12 1.51 0.00 0.00 0.00 175.10 177.05 2k0r s ASP 113 N 1.31 6.16 -0.17 3.32 -4.77 -1.26 -1.30 116.67 119.97 2k0r s ASP 113 Ca -0.05 0.33 -0.06 0.00 -3.30 0.00 0.00 52.55 49.46 2k0r s ASP 113 Cb -0.18 -2.02 0.08 0.00 -1.09 0.00 0.00 42.92 39.70 2k0r s ASP 113 CO -0.07 0.31 0.36 0.42 0.70 0.00 0.00 175.17 176.89 2k0r s THR 114 N -0.42 -0.46 -0.02 2.11 -4.23 0.68 -5.01 115.64 108.29 2k0r s THR 114 Ca 0.11 0.20 -0.02 0.00 -1.18 0.00 0.00 61.69 60.80 2k0r s THR 114 Cb -0.12 -0.57 -0.04 0.00 1.34 0.00 0.00 72.50 73.12 2k0r s THR 114 CO 0.02 0.08 0.09 -1.61 -0.54 0.00 0.00 174.62 172.66 2k0r s GLU 115 N 2.32 3.15 -0.12 3.99 8.01 -1.26 0.10 118.70 134.89 2k0r s GLU 115 Ca -0.02 -0.42 0.02 0.00 0.01 0.00 0.00 54.97 54.56 2k0r s GLU 115 Cb -0.11 -2.92 0.01 0.00 -4.31 0.00 0.00 34.13 26.80 2k0r s GLU 115 CO -0.11 0.67 -0.18 -0.06 0.01 0.00 0.00 175.26 175.59 2k0r s PHE 116 N -1.17 2.22 -0.42 1.61 0.08 0.94 -4.95 117.98 116.28 2k0r s PHE 116 Ca 0.22 -1.05 -0.23 0.00 0.12 0.00 0.00 56.93 55.99 2k0r s PHE 116 Cb -0.12 -1.56 0.02 0.00 -0.57 0.00 0.00 43.02 40.79 2k0r s PHE 116 CO 0.13 -0.50 0.78 -0.51 -0.10 0.00 0.00 175.22 175.01 2k0r s ASP 117 N 0.86 6.45 -0.10 1.36 1.01 -1.26 -0.43 116.67 124.56 2k0r s ASP 117 Ca -0.08 0.03 -0.18 0.00 0.71 0.00 0.00 52.55 53.03 2k0r s ASP 117 Cb -0.15 -2.39 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 2k0r s ASP 117 CO -0.00 -0.85 0.49 -0.63 0.21 0.00 0.00 175.17 174.39 2k0r s ILE 118 N 3.22 5.15 0.00 0.77 -1.09 -0.46 -4.90 121.20 123.89 2k0r s ILE 118 Ca 0.30 1.00 0.00 0.00 -2.23 0.00 0.00 60.65 59.72 2k0r s ILE 118 Cb -0.12 -3.83 0.00 0.00 -1.58 0.00 0.00 42.46 36.92 2k0r s ILE 118 CO 0.21 0.35 0.90 2.22 -1.23 0.00 0.00 174.94 177.39 2k0r n PHE 119 N 3.48 0.00 -0.20 3.97 1.16 -1.26 -2.01 117.46 122.60 2k0r n PHE 119 Ca -0.07 -0.43 0.00 0.00 -1.87 0.00 0.00 57.45 55.08 2k0r n PHE 119 Cb 0.52 0.47 0.00 0.00 -1.61 0.00 0.00 39.48 38.85 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 0.00 -0.08 0.12 4.97 0.00 -1.26 -4.99 105.19 103.95 2k0r n GLY 120 Ca -0.24 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 -5.07 115.26 113.39 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 0.03 0.00 0.00 1.24 0.00 0.00 39.78 41.05 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 -0.84 1.86 3.76 8.20 0.00 -1.26 -4.98 105.19 111.93 2k0r n GLY 122 Ca 0.00 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 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 5.10 0.02 2.61 2.01 -1.26 -1.07 115.64 123.05 2k0r s THR 123 Ca 0.00 0.97 0.00 0.00 0.31 0.00 0.00 61.69 62.97 2k0r s THR 123 Cb 0.00 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 2k0r s THR 123 CO 0.00 0.40 -0.03 -0.31 -0.69 0.00 0.00 174.62 174.00 2k0r s TYR 124 N 0.07 0.24 0.03 4.92 1.51 -1.19 -4.98 117.35 117.94 2k0r s TYR 124 Ca 0.26 -0.46 -0.09 0.00 -1.01 0.00 0.00 57.07 55.77 2k0r s TYR 124 Cb -0.16 -0.17 0.00 0.00 -0.11 0.00 0.00 41.96 41.52 2k0r s TYR 124 CO 0.12 -0.16 0.19 -1.01 -1.11 0.00 0.00 175.55 173.57 2k0r s HIS 125 N -1.27 0.04 0.23 2.71 3.76 -1.26 -2.58 115.29 116.93 2k0r s HIS 125 Ca -0.14 -0.22 -0.30 0.00 -0.15 0.00 0.00 55.06 54.25 2k0r s HIS 125 Cb -0.09 -0.03 -0.09 0.00 1.11 0.00 0.00 32.58 33.48 2k0r s HIS 125 CO -0.01 -0.40 1.28 -1.25 -0.85 0.00 0.00 174.74 173.51 2k0r s PRO 126 N -2.27 4.41 -0.67 8.40 0.04 -1.26 -4.95 135.00 138.70 2k0r s PRO 126 Ca -0.07 2.05 -0.01 0.00 0.04 0.00 0.00 61.00 63.01 2k0r s PRO 126 Cb -0.03 -3.17 0.43 0.00 0.04 0.00 0.00 34.50 31.77 2k0r s PRO 126 CO -0.02 -0.18 1.93 0.00 0.04 0.00 0.00 177.00 178.77 2k0r n GLN 127 N 2.12 2.81 0.00 4.56 10.64 -1.26 -5.19 117.38 131.06 2k0r n GLN 127 Ca 0.04 -3.46 0.02 0.00 -1.83 0.00 0.00 57.00 51.77 2k0r n GLN 127 Cb 0.43 -2.28 0.13 0.00 -0.86 0.00 0.00 30.24 27.65 2k0r n GLN 127 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48