#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 -3.58 -1.68 -5.12 0.00 -1.26 -4.73 120.51 104.13 2k0r n ALA 2 Ca 0.00 0.52 -0.44 0.00 0.00 0.00 0.00 53.44 53.52 2k0r n ALA 2 Cb 0.00 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 18.15 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 -4.15 3.30 0.00 0.00 4.32 -1.26 -4.99 117.00 114.22 2k0r n LEU 3 Ca -0.01 1.16 -0.10 0.00 -0.02 0.00 0.00 56.01 57.05 2k0r n LEU 3 Cb 0.64 -1.45 -0.04 0.00 -1.62 0.00 0.00 43.42 40.94 2k0r n LEU 3 CO 0.02 -0.46 -0.05 -0.67 -1.22 0.00 0.00 177.39 175.00 2k0r n ASP 4 N 1.70 -0.21 -1.80 -1.43 2.03 -1.26 -5.19 116.55 110.38 2k0r n ASP 4 Ca 0.09 -2.06 -0.01 0.00 0.52 0.00 0.00 54.79 53.33 2k0r n ASP 4 Cb 0.33 0.78 -0.00 0.00 -0.72 0.00 0.00 41.12 41.51 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 -1.91 0.02 -1.22 -1.67 0.00 -1.26 -4.66 120.51 109.81 2k0r n ALA 5 Ca -0.06 -0.09 0.16 0.00 0.00 0.00 0.00 53.44 53.46 2k0r n ALA 5 Cb 0.29 0.05 -0.05 0.00 0.00 0.00 0.00 19.45 19.75 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 -1.58 -7.27 -0.60 0.00 2.85 -1.26 -4.10 115.26 103.29 2k0r n ASN 6 Ca -0.00 0.57 0.05 0.00 -0.11 0.00 0.00 54.58 55.08 2k0r n ASN 6 Cb 0.02 -3.75 0.14 0.00 1.24 0.00 0.00 39.78 37.43 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 -3.81 1.72 0.30 1.20 5.75 -1.26 -3.99 116.55 116.45 2k0r n ASP 7 Ca -0.00 -2.03 0.20 0.00 -0.01 0.00 0.00 54.79 52.94 2k0r n ASP 7 Cb 0.56 -0.23 0.90 0.00 -1.03 0.00 0.00 41.12 41.32 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 1.74 0.00 -9.76 -2.12 4.07 -1.96 -3.43 115.31 103.85 2k0r h LEU 8 Ca 0.00 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.43 2k0r h LEU 8 Cb 0.46 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.13 2k0r h LEU 8 CO 0.02 0.00 -0.57 -1.48 -1.08 0.00 0.00 178.44 175.32 2k0r s LEU 9 N -6.15 3.60 0.69 1.67 0.05 -1.26 -5.12 118.68 112.17 2k0r s LEU 9 Ca -0.01 -0.37 -0.14 0.00 0.05 0.00 0.00 54.13 53.66 2k0r s LEU 9 Cb 0.11 -2.14 0.02 0.00 -2.05 0.00 0.00 46.19 42.12 2k0r s LEU 9 CO 0.49 -0.01 1.10 -2.16 -0.55 0.00 0.00 176.35 175.22 2k0r s PRO 10 N -3.69 2.64 0.00 1.48 0.04 -1.26 -4.87 135.00 129.34 2k0r s PRO 10 Ca 0.32 1.33 0.15 0.00 0.04 0.00 0.00 61.00 62.83 2k0r s PRO 10 Cb -0.08 -1.93 0.69 0.00 0.04 0.00 0.00 34.50 33.22 2k0r s PRO 10 CO 0.23 -1.37 1.43 -0.35 0.04 0.00 0.00 177.00 176.98 2k0r n PRO 11 N -2.74 0.12 0.10 0.56 -0.04 -1.26 -1.49 135.00 130.24 2k0r n PRO 11 Ca 0.10 0.19 -0.23 0.00 -0.04 0.00 0.00 63.50 63.53 2k0r n PRO 11 Cb 0.52 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.34 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 0.52 -0.01 0.54 4.11 -1.93 -3.33 114.58 114.48 2k0r h GLU 12 Ca 0.00 -0.79 0.00 0.00 0.07 0.00 0.00 59.36 58.64 2k0r h GLU 12 Cb 0.18 0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2k0r h GLU 12 CO 0.00 1.36 -0.62 0.36 0.07 0.00 0.00 179.01 180.19 2k0r n LYS 13 N -3.86 0.89 0.27 1.06 -0.00 -1.12 -4.20 118.16 111.19 2k0r n LYS 13 Ca -0.15 -0.73 0.15 0.00 -0.00 0.00 0.00 58.31 57.58 2k0r n LYS 13 Cb 0.98 -1.48 0.65 0.00 -0.00 0.00 0.00 35.03 35.17 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 3.65 1.02 -3.56 0.58 0.00 -1.37 -3.42 119.26 116.16 2k0r h ALA 14 Ca 0.00 -0.06 -0.68 0.00 0.00 0.00 0.00 54.91 54.18 2k0r h ALA 14 Cb 0.69 -0.01 -0.30 0.00 0.00 0.00 0.00 17.79 18.16 2k0r h ALA 14 CO 0.00 0.08 -0.85 -0.06 0.00 0.00 0.00 179.25 178.42 2k0r s PHE 15 N -3.70 2.60 -0.70 0.00 0.08 -1.26 -0.08 117.98 114.92 2k0r s PHE 15 Ca 0.01 -0.81 0.03 0.00 0.12 0.00 0.00 56.93 56.27 2k0r s PHE 15 Cb 0.10 -1.71 0.17 0.00 -0.57 0.00 0.00 43.02 41.01 2k0r s PHE 15 CO 0.57 -0.28 0.50 0.08 -0.10 0.00 0.00 175.22 175.99 2k0r s VAL 16 N 0.14 3.21 0.23 -0.44 1.01 0.72 -4.90 120.40 120.37 2k0r s VAL 16 Ca -0.11 -3.87 -0.30 0.00 0.00 0.00 0.00 61.98 57.71 2k0r s VAL 16 Cb -0.16 -3.10 -0.09 0.00 0.00 0.00 0.00 36.38 33.03 2k0r s VAL 16 CO 0.06 -0.97 1.28 -2.16 0.00 0.00 0.00 175.10 173.32 2k0r s PRO 17 N -1.05 4.41 -0.07 2.72 0.04 -1.26 -1.66 135.00 138.13 2k0r s PRO 17 Ca 0.23 2.05 -0.03 0.00 0.04 0.00 0.00 61.00 63.29 2k0r s PRO 17 Cb -0.11 -3.17 0.03 0.00 0.04 0.00 0.00 34.50 31.29 2k0r s PRO 17 CO -0.11 -0.18 0.15 -2.00 0.04 0.00 0.00 177.00 174.91 2k0r s GLU 18 N -0.61 0.12 0.08 4.56 2.12 0.14 -4.82 118.70 120.28 2k0r s GLU 18 Ca 0.53 0.35 0.05 0.00 0.36 0.00 0.00 54.97 56.26 2k0r s GLU 18 Cb -0.36 -0.12 -0.04 0.00 0.26 0.00 0.00 34.13 33.86 2k0r s GLU 18 CO 0.41 -0.14 -0.01 -1.17 -0.54 0.00 0.00 175.26 173.82 2k0r s LEU 19 N 0.96 3.45 -0.26 2.70 2.96 -1.06 0.08 118.68 127.50 2k0r s LEU 19 Ca -0.07 -0.18 -0.02 0.00 -0.22 0.00 0.00 54.13 53.64 2k0r s LEU 19 Cb -0.09 -2.17 0.12 0.00 0.50 0.00 0.00 46.19 44.55 2k0r s LEU 19 CO -0.05 0.18 0.27 0.00 -1.32 0.00 0.00 176.35 175.44 2k0r s ALA 20 N -1.29 -0.42 0.25 5.97 0.00 0.97 -3.03 121.76 124.22 2k0r s ALA 20 Ca 0.25 -0.06 -0.30 0.00 0.00 0.00 0.00 51.96 51.86 2k0r s ALA 20 Cb -0.12 -1.63 -0.09 0.00 0.00 0.00 0.00 23.12 21.29 2k0r s ALA 20 CO 0.18 -1.51 1.21 0.08 0.00 0.00 0.00 175.76 175.71 2k0r s VAL 21 N 2.36 3.28 0.36 0.00 1.01 0.21 -1.53 120.40 126.08 2k0r s VAL 21 Ca 0.09 1.18 0.02 0.00 0.00 0.00 0.00 61.98 63.27 2k0r s VAL 21 Cb -0.15 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 2k0r s VAL 21 CO -0.25 0.24 0.07 0.00 0.00 0.00 0.00 175.10 175.15 2k0r n ALA 22 N 1.72 0.41 0.54 5.51 0.00 0.72 -4.79 120.51 124.62 2k0r n ALA 22 Ca 0.02 -1.72 0.12 0.00 0.00 0.00 0.00 53.44 51.85 2k0r n ALA 22 Cb 0.44 1.07 0.12 0.00 0.00 0.00 0.00 19.45 21.08 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 1.16 0.00 -0.19 0.00 3.58 -2.02 -3.32 116.42 115.63 2k0r h ASP 23 Ca -0.29 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 56.92 2k0r h ASP 23 Cb 0.99 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.04 2k0r h ASP 23 CO 0.47 0.12 0.00 -0.67 -2.88 0.00 0.00 179.24 176.28 2k0r n ASP 24 N -2.11 2.74 0.00 2.28 2.03 -1.26 -5.03 116.55 115.20 2k0r n ASP 24 Ca 0.03 -2.29 0.00 0.00 0.52 0.00 0.00 54.79 53.05 2k0r n ASP 24 Cb 0.45 -0.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.61 2k0r n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k0r n GLY 25 N -0.18 0.74 3.34 0.27 0.00 -1.25 -3.07 105.19 105.05 2k0r n GLY 25 Ca 0.10 -1.83 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.14 2.52 -0.13 1.61 1.01 -0.56 -0.20 120.40 122.50 2k0r s VAL 26 Ca 0.00 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.10 2k0r s VAL 26 Cb 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.41 2k0r s VAL 26 CO 0.00 0.57 -0.19 0.20 0.00 0.00 0.00 175.10 175.67 2k0r s ASN 27 N -0.22 3.39 -0.13 3.32 0.01 -0.59 0.30 114.94 121.03 2k0r s ASN 27 Ca -0.01 -0.52 0.02 0.00 -0.71 0.00 0.00 52.86 51.65 2k0r s ASN 27 Cb -0.13 -1.49 0.01 0.00 0.41 0.00 0.00 41.25 40.05 2k0r s ASN 27 CO 0.03 0.11 -0.20 0.54 -1.51 0.00 0.00 177.10 176.08 2k0r s VAL 28 N 0.63 1.88 -0.07 1.60 0.11 -0.71 -0.02 120.40 123.82 2k0r s VAL 28 Ca -0.10 -0.87 0.04 0.00 -2.93 0.00 0.00 61.98 58.12 2k0r s VAL 28 Cb -0.16 -1.67 0.00 0.00 -1.53 0.00 0.00 36.38 33.01 2k0r s VAL 28 CO 0.03 0.51 -0.19 -0.60 -3.33 0.00 0.00 175.10 171.52 2k0r s ARG 29 N 0.88 2.25 -0.11 1.54 3.00 0.11 -0.27 118.95 126.35 2k0r s ARG 29 Ca -0.07 -0.69 0.02 0.00 -1.00 0.00 0.00 55.73 54.00 2k0r s ARG 29 Cb -0.15 -1.83 0.01 0.00 0.00 0.00 0.00 34.95 32.98 2k0r s ARG 29 CO -0.02 0.19 -0.16 -0.59 0.00 0.00 0.00 175.30 174.72 2k0r s PHE 30 N 0.25 2.08 -0.36 5.12 -0.71 -0.45 0.23 117.98 124.13 2k0r s PHE 30 Ca -0.11 -0.99 -0.21 0.00 -1.04 0.00 0.00 56.93 54.58 2k0r s PHE 30 Cb -0.15 -1.48 0.01 0.00 -1.21 0.00 0.00 43.02 40.19 2k0r s PHE 30 CO 0.05 -0.49 0.68 1.03 -1.34 0.00 0.00 175.22 175.14 2k0r s ARG 31 N 0.95 3.67 0.04 1.99 0.52 -0.66 -3.18 118.95 122.28 2k0r s ARG 31 Ca -0.07 0.10 -0.07 0.00 -0.52 0.00 0.00 55.73 55.17 2k0r s ARG 31 Cb -0.15 -3.82 -0.05 0.00 0.52 0.00 0.00 34.95 31.45 2k0r s ARG 31 CO -0.01 -0.79 0.31 0.42 0.02 0.00 0.00 175.30 175.25 2k0r s ILE 32 N 2.83 5.24 0.58 1.52 1.01 0.11 -0.20 121.20 132.28 2k0r s ILE 32 Ca 0.26 0.22 -0.20 0.00 0.00 0.00 0.00 60.65 60.93 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 0.16 0.32 1.24 0.00 0.00 0.00 0.00 174.94 176.66 2k0r s ALA 33 N -1.35 2.62 0.23 9.38 0.00 0.88 -4.12 121.76 129.41 2k0r s ALA 33 Ca 0.30 1.08 0.34 0.00 0.00 0.00 0.00 51.96 53.68 2k0r s ALA 33 Cb -0.13 -3.48 1.81 0.00 0.00 0.00 0.00 23.12 21.32 2k0r s ALA 33 CO 0.17 -1.19 2.03 0.22 0.00 0.00 0.00 175.76 177.00 2k0r h ASP 34 N 1.08 0.00 -0.53 0.00 1.82 -1.83 0.35 116.42 117.32 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 1.30 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.31 2k0r h ASP 34 CO 0.56 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.80 2k0r n GLY 35 N -1.09 1.58 3.12 -0.78 0.00 -1.26 -4.64 105.19 102.12 2k0r n GLY 35 Ca -0.02 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.36 0.68 -0.22 1.61 2.02 0.11 -0.88 117.35 119.31 2k0r s TYR 36 Ca 0.36 -0.94 -0.17 0.00 -0.37 0.00 0.00 57.07 55.95 2k0r s TYR 36 Cb 0.19 -0.44 0.06 0.00 -0.40 0.00 0.00 41.96 41.38 2k0r s TYR 36 CO 0.23 -0.25 0.57 1.52 -1.57 0.00 0.00 175.55 176.05 2k0r s TYR 37 N -3.53 -0.73 -0.02 2.71 -0.85 0.18 -4.59 117.35 110.52 2k0r s TYR 37 Ca 0.07 1.64 0.04 0.00 -0.52 0.00 0.00 57.07 58.30 2k0r s TYR 37 Cb 0.05 0.33 -0.03 0.00 0.38 0.00 0.00 41.96 42.69 2k0r s TYR 37 CO -0.07 -0.37 -0.11 -1.64 -1.52 0.00 0.00 175.55 171.84 2k0r s MET 38 N 0.86 2.47 0.06 -3.49 -1.94 -1.08 -0.77 119.30 115.41 2k0r s MET 38 Ca -0.04 -0.74 -0.27 0.00 -1.71 0.00 0.00 55.69 52.93 2k0r s MET 38 Cb -0.05 -2.41 -0.05 0.00 2.01 0.00 0.00 34.83 34.32 2k0r s MET 38 CO -0.07 0.61 0.83 0.71 -0.01 0.00 0.00 175.02 177.09 2k0r s TYR 39 N -0.87 3.75 0.37 -0.03 2.02 -1.20 -1.31 117.35 120.09 2k0r s TYR 39 Ca 0.14 1.58 0.14 0.00 -0.37 0.00 0.00 57.07 58.56 2k0r s TYR 39 Cb -0.11 -2.91 0.97 0.00 -0.40 0.00 0.00 41.96 39.52 2k0r s TYR 39 CO 0.04 0.24 1.79 0.37 -1.57 0.00 0.00 175.55 176.41 2k0r h GLN 40 N 5.70 0.51 -0.06 -0.62 5.75 -0.70 0.39 115.11 126.08 2k0r h GLN 40 Ca -0.43 -0.03 -0.16 0.00 -0.15 0.00 0.00 58.65 57.87 2k0r h GLN 40 Cb 1.21 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.63 2k0r h GLN 40 CO 0.71 0.33 -0.67 0.00 -2.65 0.00 0.00 178.83 176.55 2k0r h ALA 41 N 1.64 0.74 0.00 3.38 0.00 -1.92 -3.12 119.26 119.98 2k0r h ALA 41 Ca 0.57 -0.59 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 2k0r h ALA 41 Cb 1.24 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2k0r h ALA 41 CO -0.31 0.77 -0.79 0.87 0.00 0.00 0.00 179.25 179.79 2k0r h LYS 42 N 0.18 0.00 -6.81 0.00 6.56 -0.70 -3.45 116.57 112.36 2k0r h LYS 42 Ca -0.02 0.00 -0.50 0.00 -1.06 0.00 0.00 60.65 59.08 2k0r h LYS 42 Cb 1.21 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.88 2k0r h LYS 42 CO 0.11 0.79 0.43 0.42 -2.06 0.00 0.00 179.45 179.13 2k0r s ILE 43 N -3.12 3.70 0.02 1.86 1.01 0.92 -4.19 121.20 121.40 2k0r s ILE 43 Ca 0.00 1.65 -0.01 0.00 0.00 0.00 0.00 60.65 62.30 2k0r s ILE 43 Cb 0.11 -4.02 -0.02 0.00 0.01 0.00 0.00 42.46 38.54 2k0r s ILE 43 CO 0.79 0.34 -0.01 -0.69 0.00 0.00 0.00 174.94 175.37 2k0r s VAL 44 N -1.25 0.09 -0.30 2.92 1.01 0.82 -4.93 120.40 118.77 2k0r s VAL 44 Ca 0.45 -0.76 -0.12 0.00 0.00 0.00 0.00 61.98 61.55 2k0r s VAL 44 Cb -0.29 -0.24 0.18 0.00 0.00 0.00 0.00 36.38 36.04 2k0r s VAL 44 CO 0.36 -0.42 1.02 -0.83 0.00 0.00 0.00 175.10 175.24 2k0r s GLY 45 N -1.23 -0.37 -0.00 4.51 0.00 -1.24 -0.11 107.32 108.87 2k0r s GLY 45 Ca -0.13 2.73 0.00 0.00 0.00 0.00 0.00 44.72 47.32 2k0r s GLY 45 CO -0.01 3.77 -0.01 -1.59 0.00 0.00 0.00 173.10 175.26 2k0r s LYS 46 N 2.93 0.07 -0.05 2.90 0.00 -0.67 -4.85 119.74 120.07 2k0r s LYS 46 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 55.97 55.98 2k0r s LYS 46 Cb -0.10 -0.10 0.02 0.00 0.00 0.00 0.00 37.83 37.64 2k0r s LYS 46 CO -0.12 -0.00 -0.06 -0.08 0.00 0.00 0.00 175.35 175.09 2k0r s THR 47 N 0.12 0.66 0.00 3.79 -1.32 -1.26 -0.66 115.64 116.98 2k0r s THR 47 Ca -0.01 -0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.27 2k0r s THR 47 Cb -0.02 -0.66 0.00 0.00 -1.51 0.00 0.00 72.50 70.30 2k0r s THR 47 CO -0.00 0.25 0.00 -0.46 -2.21 0.00 0.00 174.62 172.20 2k0r n ASN 48 N 4.00 0.00 -0.03 8.08 0.23 0.64 -4.49 115.26 123.69 2k0r n ASN 48 Ca -0.24 0.00 -0.09 0.00 -0.53 0.00 0.00 54.58 53.72 2k0r n ASN 48 Cb 0.51 0.00 0.07 0.00 -2.08 0.00 0.00 39.78 38.28 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 0.66 0.00 -0.53 0.13 -1.82 -1.88 132.00 128.56 2k0r h PRO 49 Ca 0.00 -0.35 -0.18 0.00 -0.87 0.00 0.00 66.00 64.60 2k0r h PRO 49 Cb 0.00 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 31.01 2k0r h PRO 49 CO 0.00 0.95 -0.20 0.00 -0.23 0.00 0.00 178.00 178.52 2k0r n ALA 50 N -2.52 -0.58 -3.17 -0.56 0.00 -1.26 -4.75 120.51 107.68 2k0r n ALA 50 Ca -0.02 -1.04 -0.15 0.00 0.00 0.00 0.00 53.44 52.23 2k0r n ALA 50 Cb 0.53 -1.31 0.06 0.00 0.00 0.00 0.00 19.45 18.73 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 -0.20 -3.87 -0.11 0.00 -0.08 -1.26 -4.94 116.55 106.08 2k0r n ASP 51 Ca -0.06 -0.41 -0.13 0.00 -1.51 0.00 0.00 54.79 52.68 2k0r n ASP 51 Cb 0.76 -3.76 -0.14 0.00 2.34 0.00 0.00 41.12 40.32 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 -3.52 1.27 -4.53 -2.67 4.77 -1.26 -4.99 117.00 106.07 2k0r n LEU 52 Ca -0.08 -0.06 -0.40 0.00 -0.03 0.00 0.00 56.01 55.45 2k0r n LEU 52 Cb 0.57 -0.10 0.03 0.00 -2.33 0.00 0.00 43.42 41.59 2k0r n LEU 52 CO 0.45 0.67 0.31 -0.11 -1.33 0.00 0.00 177.39 177.38 2k0r n LEU 53 N -2.94 1.73 0.00 2.23 7.94 -1.26 -4.16 117.00 120.54 2k0r n LEU 53 Ca -0.37 0.86 0.00 0.00 -1.11 0.00 0.00 56.01 55.39 2k0r n LEU 53 Cb 1.07 -1.26 0.00 0.00 0.53 0.00 0.00 43.42 43.76 2k0r n LEU 53 CO 0.34 -2.35 0.00 0.61 -1.11 0.00 0.00 177.39 174.89 2k0r n GLY 54 N 1.52 -1.35 3.04 -3.96 0.00 -1.09 -4.78 105.19 98.56 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 0.49 0.67 1.61 -2.07 -1.26 -5.03 119.66 114.07 2k0r s GLN 55 Ca 0.00 -0.93 -0.14 0.00 -1.82 0.00 0.00 55.36 52.46 2k0r s GLN 55 Cb 0.00 0.11 0.01 0.00 -1.09 0.00 0.00 33.01 32.04 2k0r s GLN 55 CO 0.00 -0.07 1.11 -1.25 -1.32 0.00 0.00 175.29 173.76 2k0r s PRO 56 N -2.69 2.74 -0.47 9.60 0.04 -1.26 -4.22 135.00 138.73 2k0r s PRO 56 Ca -0.04 1.36 0.05 0.00 0.04 0.00 0.00 61.00 62.42 2k0r s PRO 56 Cb -0.01 -1.95 0.19 0.00 0.04 0.00 0.00 34.50 32.78 2k0r s PRO 56 CO -0.05 -1.29 0.43 0.43 0.04 0.00 0.00 177.00 176.56 2k0r n SER 57 N -2.54 0.55 -4.75 6.66 7.64 0.13 -4.91 113.62 116.41 2k0r n SER 57 Ca 0.10 -2.66 -0.40 0.00 1.01 0.00 0.00 58.87 56.93 2k0r n SER 57 Cb 0.52 -0.61 -0.05 0.00 -1.01 0.00 0.00 64.21 63.06 2k0r n SER 57 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2k0r s PHE 58 N -0.64 3.73 1.10 1.43 -0.12 -1.26 -0.13 117.98 122.10 2k0r s PHE 58 Ca 0.32 1.46 -0.19 0.00 -0.05 0.00 0.00 56.93 58.47 2k0r s PHE 58 Cb 0.06 -2.81 0.08 0.00 -0.63 0.00 0.00 43.02 39.73 2k0r s PHE 58 CO -0.16 0.28 -0.06 0.43 -0.05 0.00 0.00 175.22 175.66 2k0r n SER 59 N 2.79 -2.41 -4.31 1.98 7.64 -0.48 -4.91 113.62 113.92 2k0r n SER 59 Ca -0.03 -0.09 -0.46 0.00 1.01 0.00 0.00 58.87 59.30 2k0r n SER 59 Cb 0.50 -0.94 -0.04 0.00 -1.01 0.00 0.00 64.21 62.72 2k0r n SER 59 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2k0r s LYS 60 N -3.37 3.18 0.00 1.43 2.47 -1.26 -4.97 119.74 117.22 2k0r s LYS 60 Ca 0.55 -1.97 0.00 0.00 -1.56 0.00 0.00 55.97 52.99 2k0r s LYS 60 Cb -0.11 -4.33 0.00 0.00 -1.46 0.00 0.00 37.83 31.93 2k0r s LYS 60 CO 0.66 -1.31 0.00 0.41 0.16 0.00 0.00 175.35 175.27 2k0r n GLY 61 N 4.81 -1.48 3.03 5.54 0.00 -1.26 -5.03 105.19 110.79 2k0r n GLY 61 Ca -0.05 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 2k0r n GLY 61 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k0r s GLU 62 N 0.00 1.39 -0.12 1.61 -1.05 -0.46 -4.90 118.70 115.17 2k0r s GLU 62 Ca 0.00 -0.39 -0.29 0.00 -0.15 0.00 0.00 54.97 54.14 2k0r s GLU 62 Cb 0.00 -1.21 -0.01 0.00 -0.44 0.00 0.00 34.13 32.47 2k0r s GLU 62 CO 0.00 0.09 1.02 -1.21 0.95 0.00 0.00 175.26 176.11 2k0r s GLU 63 N 0.40 4.40 0.05 -4.83 2.02 -1.26 -1.17 118.70 118.32 2k0r s GLU 63 Ca -0.08 1.40 0.02 0.00 0.02 0.00 0.00 54.97 56.33 2k0r s GLU 63 Cb -0.12 -3.56 -0.03 0.00 0.10 0.00 0.00 34.13 30.52 2k0r s GLU 63 CO 0.02 -0.36 -0.08 0.21 0.02 0.00 0.00 175.26 175.06 2k0r s LYS 64 N 2.18 0.61 -0.16 1.61 2.36 -0.01 -4.95 119.74 121.38 2k0r s LYS 64 Ca 0.48 -0.86 -0.01 0.00 -2.55 0.00 0.00 55.97 53.03 2k0r s LYS 64 Cb -0.18 -0.34 -0.01 0.00 -1.05 0.00 0.00 37.83 36.24 2k0r s LYS 64 CO 0.17 0.06 -0.11 -1.21 1.55 0.00 0.00 175.35 175.80 2k0r s GLU 65 N -1.92 3.35 0.00 4.03 8.01 -1.25 -1.33 118.70 129.59 2k0r s GLU 65 Ca -0.06 -0.68 0.00 0.00 0.01 0.00 0.00 54.97 54.24 2k0r s GLU 65 Cb -0.08 -2.73 0.00 0.00 -4.31 0.00 0.00 34.13 27.01 2k0r s GLU 65 CO -0.00 0.06 0.00 -3.47 0.01 0.00 0.00 175.26 171.86 2k0r n ASP 66 N 3.98 0.00 -0.19 -0.19 2.03 -0.55 -4.92 116.55 116.71 2k0r n ASP 66 Ca -0.18 -0.78 0.06 0.00 0.52 0.00 0.00 54.79 54.41 2k0r n ASP 66 Cb 0.52 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.89 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 2.28 0.00 -0.67 0.28 -1.26 -2.42 120.64 118.84 2k0r n GLU 67 Ca 0.00 -0.45 0.14 0.00 -0.16 0.00 0.00 57.16 56.70 2k0r n GLU 67 Cb 0.00 -1.14 0.63 0.00 1.43 0.00 0.00 31.44 32.36 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 -0.59 0.00 0.00 -1.84 3.01 -1.26 -4.64 117.46 112.14 2k0r n PHE 68 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 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 -0.18 0.00 0.00 1.38 -1.74 -1.26 -5.16 117.46 110.50 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 0.29 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.29 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 -0.48 0.27 3.43 4.97 0.00 -1.02 -4.90 105.19 107.46 2k0r n GLY 70 Ca 0.00 -1.88 -0.44 0.00 0.00 0.00 0.00 46.02 43.70 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 3.11 0.24 1.61 3.00 -1.25 -1.48 118.95 124.17 2k0r s ARG 71 Ca 0.00 -1.00 -0.14 0.00 0.00 0.00 0.00 55.73 54.60 2k0r s ARG 71 Cb 0.00 -4.19 -0.00 0.00 0.00 0.00 0.00 34.95 30.76 2k0r s ARG 71 CO 0.00 -1.52 0.49 -1.14 0.00 0.00 0.00 175.30 173.13 2k0r s GLN 72 N 3.11 1.53 0.14 3.54 -0.44 -0.44 -4.94 119.66 122.17 2k0r s GLN 72 Ca 0.17 -1.20 -0.22 0.00 -2.50 0.00 0.00 55.36 51.61 2k0r s GLN 72 Cb -0.20 0.48 -0.08 0.00 -1.64 0.00 0.00 33.01 31.57 2k0r s GLN 72 CO 0.10 -0.64 0.69 0.99 0.50 0.00 0.00 175.29 176.92 2k0r s THR 73 N -4.00 4.55 0.25 -0.34 2.01 -1.26 -0.83 115.64 116.02 2k0r s THR 73 Ca 0.20 1.42 0.02 0.00 0.31 0.00 0.00 61.69 63.64 2k0r s THR 73 Cb -0.01 -3.99 -0.03 0.00 0.01 0.00 0.00 72.50 68.48 2k0r s THR 73 CO 0.08 0.46 0.20 0.68 -0.69 0.00 0.00 174.62 175.35 2k0r s VAL 74 N -1.22 0.00 -0.06 3.82 -7.23 -0.32 0.09 120.40 115.48 2k0r s VAL 74 Ca 0.35 -1.98 0.05 0.00 -1.81 0.00 0.00 61.98 58.60 2k0r s VAL 74 Cb -0.20 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.23 2k0r s VAL 74 CO 0.22 0.00 -0.23 -0.31 -0.31 0.00 0.00 175.10 174.47 2k0r s TYR 75 N -3.87 2.49 -1.18 2.82 2.02 -0.43 -1.35 117.35 117.85 2k0r s TYR 75 Ca 0.39 -0.68 0.22 0.00 -0.37 0.00 0.00 57.07 56.64 2k0r s TYR 75 Cb 0.05 -1.62 0.02 0.00 -0.40 0.00 0.00 41.96 40.01 2k0r s TYR 75 CO 0.18 -0.19 1.08 -2.39 -1.57 0.00 0.00 175.55 172.66 2k0r n HIS 76 N 2.95 0.00 0.04 2.71 1.44 -1.26 -2.64 115.22 118.45 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 -0.06 0.00 0.00 0.12 0.00 0.00 29.99 30.57 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 -1.26 -2.24 -2.71 -1.40 -0.00 -1.26 -4.13 115.22 102.22 2k0r n HIS 77 Ca 0.05 0.26 -0.41 0.00 -0.00 0.00 0.00 57.72 57.62 2k0r n HIS 77 Cb 0.35 0.94 -0.04 0.00 -0.00 0.00 0.00 29.99 31.24 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 4.66 -0.38 1.57 -1.05 -1.26 0.05 118.70 120.28 2k0r s GLU 78 Ca 0.00 1.46 0.06 0.00 -0.15 0.00 0.00 54.97 56.33 2k0r s GLU 78 Cb 0.00 -3.40 0.18 0.00 -0.44 0.00 0.00 34.13 30.48 2k0r s GLU 78 CO 0.00 0.13 0.68 0.00 0.95 0.00 0.00 175.26 177.02 2k0r s ALA 79 N 0.28 -2.63 -0.05 -0.84 0.00 -1.19 -4.75 121.76 112.58 2k0r s ALA 79 Ca 0.49 0.46 0.06 0.00 0.00 0.00 0.00 51.96 52.97 2k0r s ALA 79 Cb -0.23 -2.74 -0.02 0.00 0.00 0.00 0.00 23.12 20.13 2k0r s ALA 79 CO 0.29 -2.19 -0.22 -1.14 0.00 0.00 0.00 175.76 172.50 2k0r s GLN 80 N 2.02 2.49 -0.10 0.00 0.74 -1.26 -1.34 119.66 122.21 2k0r s GLN 80 Ca 0.15 -0.86 0.03 0.00 0.05 0.00 0.00 55.36 54.74 2k0r s GLN 80 Cb -0.04 -2.21 0.00 0.00 1.10 0.00 0.00 33.01 31.87 2k0r s GLN 80 CO -0.11 0.46 -0.21 0.08 -0.55 0.00 0.00 175.29 174.97 2k0r s VAL 81 N -0.35 1.83 -0.07 1.34 1.01 0.62 -1.38 120.40 123.41 2k0r s VAL 81 Ca 0.02 -0.88 -0.14 0.00 0.00 0.00 0.00 61.98 60.99 2k0r s VAL 81 Cb -0.12 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 2k0r s VAL 81 CO 0.02 0.51 0.34 0.00 0.00 0.00 0.00 175.10 175.97 2k0r s ALA 82 N 0.50 3.68 -0.67 5.51 0.00 0.81 -1.74 121.76 129.86 2k0r s ALA 82 Ca -0.16 -0.35 0.05 0.00 0.00 0.00 0.00 51.96 51.50 2k0r s ALA 82 Cb -0.17 -2.34 0.16 0.00 0.00 0.00 0.00 23.12 20.77 2k0r s ALA 82 CO 0.06 0.36 0.45 -0.06 0.00 0.00 0.00 175.76 176.56 2k0r s PHE 83 N -0.50 3.46 0.09 0.00 0.08 0.15 0.21 117.98 121.48 2k0r s PHE 83 Ca 0.21 -3.30 -0.31 0.00 0.12 0.00 0.00 56.93 53.65 2k0r s PHE 83 Cb -0.15 -2.70 -0.07 0.00 -0.57 0.00 0.00 43.02 39.53 2k0r s PHE 83 CO 0.09 -0.59 1.38 -1.25 -0.10 0.00 0.00 175.22 174.75 2k0r s PRO 84 N -1.22 4.32 0.47 0.24 0.04 -1.26 -1.49 135.00 136.10 2k0r s PRO 84 Ca 0.23 2.03 -0.23 0.00 0.04 0.00 0.00 61.00 63.07 2k0r s PRO 84 Cb -0.08 -3.31 -0.07 0.00 0.04 0.00 0.00 34.50 31.07 2k0r s PRO 84 CO -0.14 -0.44 1.26 0.71 0.04 0.00 0.00 177.00 178.43 2k0r s TYR 85 N 1.33 2.70 -0.17 0.56 2.02 -1.17 -2.68 117.35 119.93 2k0r s TYR 85 Ca 0.64 1.46 0.19 0.00 -0.37 0.00 0.00 57.07 58.98 2k0r s TYR 85 Cb -0.35 -3.58 -0.26 0.00 -0.40 0.00 0.00 41.96 37.37 2k0r s TYR 85 CO 0.30 -2.05 0.16 0.00 -1.57 0.00 0.00 175.55 172.38 2k0r n ALA 86 N -0.46 1.72 -3.22 3.71 0.00 -1.26 -4.63 120.51 116.38 2k0r n ALA 86 Ca 0.07 -1.18 -0.13 0.00 0.00 0.00 0.00 53.44 52.20 2k0r n ALA 86 Cb 0.46 -0.30 -0.09 0.00 0.00 0.00 0.00 19.45 19.52 2k0r n ALA 86 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2k0r s LYS 87 N -2.67 0.59 0.15 0.00 -0.14 -1.26 -4.96 119.74 111.44 2k0r s LYS 87 Ca -0.09 -0.08 -0.34 0.00 -1.36 0.00 0.00 55.97 54.10 2k0r s LYS 87 Cb 0.07 0.26 -0.14 0.00 -1.68 0.00 0.00 37.83 36.34 2k0r s LYS 87 CO 0.84 -0.15 1.54 0.00 -0.76 0.00 0.00 175.35 176.83 2k0r n ALA 88 N 1.64 0.98 -3.63 5.17 0.00 -1.26 -4.97 120.51 118.44 2k0r n ALA 88 Ca -0.20 0.46 -0.27 0.00 0.00 0.00 0.00 53.44 53.42 2k0r n ALA 88 Cb 0.56 -2.31 -0.16 0.00 0.00 0.00 0.00 19.45 17.54 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 0.88 0.12 -1.18 0.00 1.01 -1.26 -4.99 120.40 114.98 2k0r s VAL 89 Ca 0.80 -0.50 0.29 0.00 0.00 0.00 0.00 61.98 62.57 2k0r s VAL 89 Cb -0.72 -0.86 0.34 0.00 0.00 0.00 0.00 36.38 35.13 2k0r s VAL 89 CO 0.39 -0.41 1.94 0.61 0.00 0.00 0.00 175.10 177.63 2k0r n GLY 90 N 5.19 -1.38 3.98 4.51 0.00 -1.26 -4.84 105.19 111.39 2k0r n GLY 90 Ca -0.07 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.82 3.24 0.56 1.61 2.02 -1.26 -5.09 118.70 116.95 2k0r s GLU 91 Ca 0.20 -0.88 -0.19 0.00 0.02 0.00 0.00 54.97 54.11 2k0r s GLU 91 Cb 0.19 -2.83 -0.05 0.00 0.10 0.00 0.00 34.13 31.54 2k0r s GLU 91 CO 0.51 0.18 1.13 -1.25 0.02 0.00 0.00 175.26 175.85 2k0r s PRO 92 N -4.12 3.29 0.32 0.39 0.04 -1.26 -4.99 135.00 128.67 2k0r s PRO 92 Ca 0.41 1.58 0.08 0.00 0.04 0.00 0.00 61.00 63.12 2k0r s PRO 92 Cb -0.09 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.39 2k0r s PRO 92 CO 0.31 -0.90 -0.08 1.52 0.04 0.00 0.00 177.00 177.89 2k0r s TYR 93 N -1.85 2.24 -0.02 0.56 1.13 -0.70 -4.64 117.35 114.07 2k0r s TYR 93 Ca 0.72 -0.58 0.01 0.00 -1.41 0.00 0.00 57.07 55.81 2k0r s TYR 93 Cb -0.23 -1.29 -0.03 0.00 -1.10 0.00 0.00 41.96 39.30 2k0r s TYR 93 CO 0.29 0.47 -0.00 0.21 -2.51 0.00 0.00 175.55 174.01 2k0r s LYS 94 N -3.65 2.82 0.03 -3.49 2.36 -0.71 -1.47 119.74 115.63 2k0r s LYS 94 Ca 0.31 -0.57 0.06 0.00 -2.55 0.00 0.00 55.97 53.23 2k0r s LYS 94 Cb 0.03 -2.69 -0.02 0.00 -1.05 0.00 0.00 37.83 34.10 2k0r s LYS 94 CO 0.15 0.64 -0.19 -1.17 1.55 0.00 0.00 175.35 176.33 2k0r s LEU 95 N -1.38 2.14 -0.05 5.43 2.96 -0.11 -0.26 118.68 127.41 2k0r s LEU 95 Ca 0.18 -0.47 -0.02 0.00 -0.22 0.00 0.00 54.13 53.60 2k0r s LEU 95 Cb -0.11 -0.89 0.03 0.00 0.50 0.00 0.00 46.19 45.72 2k0r s LEU 95 CO 0.08 0.15 0.05 0.54 -1.32 0.00 0.00 176.35 175.85 2k0r s VAL 96 N -0.73 -0.01 -0.04 1.68 0.11 0.17 0.14 120.40 121.71 2k0r s VAL 96 Ca 0.06 0.34 0.06 0.00 -2.93 0.00 0.00 61.98 59.52 2k0r s VAL 96 Cb -0.08 -0.24 -0.02 0.00 -1.53 0.00 0.00 36.38 34.51 2k0r s VAL 96 CO 0.01 0.17 -0.24 -0.76 -3.33 0.00 0.00 175.10 170.96 2k0r s LEU 97 N 2.13 2.16 -0.10 2.54 1.43 0.85 -1.67 118.68 126.02 2k0r s LEU 97 Ca 0.05 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 2k0r s LEU 97 Cb -0.12 -1.39 0.02 0.00 0.03 0.00 0.00 46.19 44.73 2k0r s LEU 97 CO -0.04 0.28 -0.10 -0.89 0.23 0.00 0.00 176.35 175.84 2k0r s THR 98 N -0.39 1.12 -0.11 5.49 2.01 0.85 0.02 115.64 124.63 2k0r s THR 98 Ca 0.03 -0.39 -0.00 0.00 0.31 0.00 0.00 61.69 61.64 2k0r s THR 98 Cb -0.12 -1.09 -0.02 0.00 0.01 0.00 0.00 72.50 71.28 2k0r s THR 98 CO 0.02 0.37 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.91 2k0r s TYR 99 N 1.31 2.88 -0.22 4.92 2.02 0.08 -0.13 117.35 128.20 2k0r s TYR 99 Ca -0.02 -0.35 -0.10 0.00 -0.37 0.00 0.00 57.07 56.23 2k0r s TYR 99 Cb -0.14 -1.82 0.09 0.00 -0.40 0.00 0.00 41.96 39.69 2k0r s TYR 99 CO -0.04 -0.00 0.51 -1.14 -1.57 0.00 0.00 175.55 173.30 2k0r s GLN 100 N -0.02 0.46 0.00 -0.62 0.74 -1.26 -0.09 119.66 118.87 2k0r s GLN 100 Ca -0.02 1.09 0.00 0.00 0.05 0.00 0.00 55.36 56.48 2k0r s GLN 100 Cb -0.14 0.32 0.00 0.00 1.10 0.00 0.00 33.01 34.29 2k0r s GLN 100 CO 0.03 -0.20 0.00 0.41 -0.55 0.00 0.00 175.29 174.98 2k0r n GLY 101 N 4.94 2.97 3.31 2.59 0.00 -1.26 -3.22 105.19 114.51 2k0r n GLY 101 Ca -0.15 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 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 0.10 0.13 1.61 0.01 0.05 -3.76 113.70 113.83 2k0r s SER 102 Ca 0.00 -1.14 -0.18 0.00 1.31 0.00 0.00 55.95 55.94 2k0r s SER 102 Cb 0.00 0.42 -0.07 0.00 0.21 0.00 0.00 66.02 66.58 2k0r s SER 102 CO 0.00 -0.90 0.60 0.00 0.41 0.00 0.00 173.24 173.36 2k0r s ALA 103 N -4.07 3.55 0.65 1.44 0.00 0.95 -0.65 121.76 123.64 2k0r s ALA 103 Ca 0.28 0.03 0.38 0.00 0.00 0.00 0.00 51.96 52.65 2k0r s ALA 103 Cb 0.05 -2.66 2.10 0.00 0.00 0.00 0.00 23.12 22.61 2k0r s ALA 103 CO 0.07 0.40 2.23 0.93 0.00 0.00 0.00 175.76 179.38 2k0r h GLU 104 N 4.05 0.00 0.00 0.00 5.08 -1.31 0.71 114.58 123.12 2k0r h GLU 104 Ca -0.49 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.72 2k0r h GLU 104 Cb 1.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 2k0r h GLU 104 CO 0.65 0.00 -0.73 0.00 -1.00 0.00 0.00 179.01 177.93 2k0r h ALA 105 N 1.82 0.70 0.00 3.43 0.00 -1.93 -3.47 119.26 119.81 2k0r h ALA 105 Ca 0.01 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2k0r h ALA 105 Cb 0.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2k0r h ALA 105 CO -0.00 0.91 0.00 0.41 0.00 0.00 0.00 179.25 180.57 2k0r n GLY 106 N 0.79 0.87 3.34 0.00 0.00 0.24 -5.15 105.19 105.27 2k0r n GLY 106 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.21 2.16 -0.22 1.61 1.01 -1.19 -4.93 120.40 117.62 2k0r s VAL 107 Ca 0.00 -1.30 0.02 0.00 0.00 0.00 0.00 61.98 60.70 2k0r s VAL 107 Cb 0.00 -1.82 0.04 0.00 0.00 0.00 0.00 36.38 34.60 2k0r s VAL 107 CO 0.00 0.43 -0.15 0.00 0.00 0.00 0.00 175.10 175.38 2k0r s TYR 109 N 1.20 2.86 0.76 0.00 1.13 -1.25 -5.06 117.35 117.00 2k0r s TYR 109 Ca -0.02 -0.18 -0.11 0.00 -1.41 0.00 0.00 57.07 55.36 2k0r s TYR 109 Cb -0.17 -1.28 0.05 0.00 -1.10 0.00 0.00 41.96 39.47 2k0r s TYR 109 CO -0.09 0.58 1.09 -1.25 -2.51 0.00 0.00 175.55 173.38 2k0r s PRO 110 N -3.73 2.30 0.59 -3.49 0.04 -1.26 -4.59 135.00 124.85 2k0r s PRO 110 Ca 0.32 1.19 -0.18 0.00 0.04 0.00 0.00 61.00 62.38 2k0r s PRO 110 Cb -0.07 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2k0r s PRO 110 CO 0.22 -1.61 1.12 -1.25 0.04 0.00 0.00 177.00 175.52 2k0r s PRO 111 N -4.82 3.13 -0.20 0.56 0.04 -1.26 -4.83 135.00 127.63 2k0r s PRO 111 Ca 0.62 1.52 0.01 0.00 0.04 0.00 0.00 61.00 63.19 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 0.55 -1.01 -0.08 0.08 0.04 0.00 0.00 177.00 176.58 2k0r s VAL 112 N -2.00 1.50 -0.15 -0.36 1.01 0.87 -4.98 120.40 116.30 2k0r s VAL 112 Ca 0.70 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 61.64 2k0r s VAL 112 Cb -0.23 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 2k0r s VAL 112 CO 0.33 0.11 0.13 1.51 0.00 0.00 0.00 175.10 177.17 2k0r s ASP 113 N 1.45 6.24 -0.08 3.32 -4.77 -1.26 -0.74 116.67 120.83 2k0r s ASP 113 Ca -0.02 0.35 -0.03 0.00 -3.30 0.00 0.00 52.55 49.55 2k0r s ASP 113 Cb -0.16 -2.05 0.04 0.00 -1.09 0.00 0.00 42.92 39.66 2k0r s ASP 113 CO -0.08 0.32 0.17 0.42 0.70 0.00 0.00 175.17 176.70 2k0r s THR 114 N -0.46 -0.09 0.00 2.11 -4.23 0.10 -5.00 115.64 108.08 2k0r s THR 114 Ca 0.12 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.83 2k0r s THR 114 Cb -0.12 -0.28 -0.04 0.00 1.34 0.00 0.00 72.50 73.41 2k0r s THR 114 CO 0.02 0.08 0.08 -1.61 -0.54 0.00 0.00 174.62 172.64 2k0r s GLU 115 N 1.37 3.03 -0.08 3.99 8.01 -1.26 -0.10 118.70 133.66 2k0r s GLU 115 Ca -0.07 -0.51 0.01 0.00 0.01 0.00 0.00 54.97 54.40 2k0r s GLU 115 Cb -0.11 -2.83 0.02 0.00 -4.31 0.00 0.00 34.13 26.89 2k0r s GLU 115 CO -0.06 0.64 -0.10 -0.06 0.01 0.00 0.00 175.26 175.69 2k0r s PHE 116 N -1.21 1.36 -0.32 1.61 0.08 0.12 -4.97 117.98 114.66 2k0r s PHE 116 Ca 0.23 -0.55 -0.23 0.00 0.12 0.00 0.00 56.93 56.50 2k0r s PHE 116 Cb -0.12 -1.06 0.00 0.00 -0.57 0.00 0.00 43.02 41.27 2k0r s PHE 116 CO 0.14 -0.34 0.77 -0.51 -0.10 0.00 0.00 175.22 175.18 2k0r s ASP 117 N 1.05 6.62 -0.23 1.36 1.11 -1.26 -0.93 116.67 124.39 2k0r s ASP 117 Ca -0.08 0.58 -0.12 0.00 0.18 0.00 0.00 52.55 53.11 2k0r s ASP 117 Cb -0.15 -2.40 -0.05 0.00 1.07 0.00 0.00 42.92 41.40 2k0r s ASP 117 CO -0.01 -0.62 0.24 -0.63 1.18 0.00 0.00 175.17 175.34 2k0r s ILE 118 N 2.94 5.30 0.00 0.77 -1.09 -0.54 -4.90 121.20 123.67 2k0r s ILE 118 Ca 0.31 0.36 0.06 0.00 -2.23 0.00 0.00 60.65 59.15 2k0r s ILE 118 Cb -0.14 -3.58 0.10 0.00 -1.58 0.00 0.00 42.46 37.26 2k0r s ILE 118 CO 0.13 0.31 0.98 2.22 -1.23 0.00 0.00 174.94 177.34 2k0r n PHE 119 N 4.40 0.00 -0.41 3.97 1.16 -1.26 -1.71 117.46 123.61 2k0r n PHE 119 Ca -0.13 -0.41 0.00 0.00 -1.87 0.00 0.00 57.45 55.04 2k0r n PHE 119 Cb 0.52 0.29 0.00 0.00 -1.61 0.00 0.00 39.48 38.67 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 0.12 -0.92 0.00 4.97 0.00 -1.26 -4.99 105.19 103.10 2k0r n GLY 120 Ca -0.15 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2k0r n GLY 120 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k0r n ASN 121 N 0.00 0.00 0.00 1.61 5.15 -1.26 -5.08 115.26 115.68 2k0r n ASN 121 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2k0r n ASN 121 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2k0r n ASN 121 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k0r n GLY 122 N 0.00 2.04 3.77 8.20 0.00 -1.26 -4.95 105.19 112.99 2k0r n GLY 122 Ca 0.00 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 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 5.11 0.02 2.61 2.01 -1.26 -0.62 115.64 123.51 2k0r s THR 123 Ca 0.00 0.91 0.03 0.00 0.31 0.00 0.00 61.69 62.93 2k0r s THR 123 Cb 0.00 -3.78 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 2k0r s THR 123 CO 0.00 0.43 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.97 2k0r s TYR 124 N -0.08 0.72 0.03 4.92 1.51 -1.17 -4.98 117.35 118.30 2k0r s TYR 124 Ca 0.25 -0.28 -0.02 0.00 -1.01 0.00 0.00 57.07 56.01 2k0r s TYR 124 Cb -0.16 -0.44 -0.02 0.00 -0.11 0.00 0.00 41.96 41.23 2k0r s TYR 124 CO 0.11 -0.03 0.01 -1.01 -1.11 0.00 0.00 175.55 173.53 2k0r s HIS 125 N -0.68 0.28 0.59 2.71 3.76 -1.26 -2.58 115.29 118.10 2k0r s HIS 125 Ca -0.02 -0.58 -0.18 0.00 -0.15 0.00 0.00 55.06 54.13 2k0r s HIS 125 Cb -0.06 -0.20 -0.03 0.00 1.11 0.00 0.00 32.58 33.39 2k0r s HIS 125 CO 0.00 -0.27 1.12 -1.25 -0.85 0.00 0.00 174.74 173.50 2k0r s PRO 126 N -2.11 3.13 -0.91 8.40 0.04 -1.26 -4.96 135.00 137.34 2k0r s PRO 126 Ca -0.10 1.52 -0.01 0.00 0.04 0.00 0.00 61.00 62.45 2k0r s PRO 126 Cb -0.05 -1.98 0.34 0.00 0.04 0.00 0.00 34.50 32.85 2k0r s PRO 126 CO -0.03 -1.01 1.91 1.04 0.04 0.00 0.00 177.00 178.95 2k0r n GLN 127 N -1.76 3.84 0.00 4.56 6.02 -1.26 -5.20 117.38 123.59 2k0r n GLN 127 Ca 0.11 -4.02 0.06 0.00 -0.01 0.00 0.00 57.00 53.14 2k0r n GLN 127 Cb 0.51 -2.35 0.05 0.00 1.02 0.00 0.00 30.24 29.48 2k0r n GLN 127 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68