#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lmt s ARG 2 N 0.00 2.02 0.01 2.12 0.52 0.10 0.20 118.95 123.91 3lmt s ARG 2 Ca 0.00 -0.99 0.00 0.00 -0.52 0.00 0.00 55.73 54.23 3lmt s ARG 2 Cb 0.00 -2.04 -0.01 0.00 0.52 0.00 0.00 34.95 33.43 3lmt s ARG 2 CO 0.00 0.55 -0.01 0.54 0.02 0.00 0.00 175.30 176.39 3lmt s VAL 3 N -0.69 0.07 -0.22 3.52 0.11 -0.20 0.36 120.40 123.35 3lmt s VAL 3 Ca 0.11 -0.28 -0.02 0.00 -2.93 0.00 0.00 61.98 58.85 3lmt s VAL 3 Cb -0.10 -0.11 0.00 0.00 -1.53 0.00 0.00 36.38 34.64 3lmt s VAL 3 CO 0.00 -0.13 -0.07 -0.69 -3.33 0.00 0.00 175.10 170.88 3lmt s VAL 4 N -0.42 3.02 -0.19 2.04 1.01 -0.55 -1.82 120.40 123.49 3lmt s VAL 4 Ca -0.04 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.17 3lmt s VAL 4 Cb -0.03 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 3lmt s VAL 4 CO -0.00 0.39 0.05 -0.63 0.00 0.00 0.00 175.10 174.91 3lmt s ILE 5 N 1.41 4.58 -0.10 2.22 1.01 0.42 -1.11 121.20 129.62 3lmt s ILE 5 Ca 0.04 -0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.61 3lmt s ILE 5 Cb -0.15 -3.07 -0.01 0.00 0.01 0.00 0.00 42.46 39.24 3lmt s ILE 5 CO -0.05 0.44 -0.16 -1.10 0.00 0.00 0.00 174.94 174.06 3lmt s GLN 6 N 0.63 3.10 0.04 2.79 -1.52 -0.11 -0.77 119.66 123.82 3lmt s GLN 6 Ca 0.03 -0.74 -0.30 0.00 -1.95 0.00 0.00 55.36 52.39 3lmt s GLN 6 Cb -0.13 -2.48 -0.04 0.00 -0.22 0.00 0.00 33.01 30.13 3lmt s GLN 6 CO 0.02 0.29 1.02 0.50 -0.25 0.00 0.00 175.29 176.87 3lmt s ARG 7 N 0.12 4.57 0.04 2.91 3.52 -0.50 -1.65 118.95 127.96 3lmt s ARG 7 Ca -0.08 1.50 0.01 0.00 -0.13 0.00 0.00 55.73 57.03 3lmt s ARG 7 Cb -0.15 -3.42 -0.02 0.00 -1.56 0.00 0.00 34.95 29.80 3lmt s ARG 7 CO 0.05 -0.03 -0.06 0.14 -0.81 0.00 0.00 175.30 174.60 3lmt s VAL 8 N 0.75 0.38 -0.98 7.11 -7.23 0.01 -1.18 120.40 119.27 3lmt s VAL 8 Ca 0.52 -1.09 0.26 0.00 -1.81 0.00 0.00 61.98 59.86 3lmt s VAL 8 Cb -0.23 -0.57 0.08 0.00 0.56 0.00 0.00 36.38 36.22 3lmt s VAL 8 CO 0.29 -0.47 1.55 0.29 -0.31 0.00 0.00 175.10 176.45 3lmt n LYS 9 N 1.39 0.02 0.00 4.82 5.02 -0.55 -1.62 118.16 127.25 3lmt n LYS 9 Ca -0.22 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.07 3lmt n LYS 9 Cb 0.55 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 3lmt n LYS 9 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3lmt n GLY 10 N 1.49 1.38 3.40 0.72 0.00 -1.13 -2.47 105.19 108.58 3lmt n GLY 10 Ca 0.06 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 3lmt n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lmt s ALA 11 N -2.00 -1.26 -0.19 4.61 0.00 -0.15 -1.49 121.76 121.29 3lmt s ALA 11 Ca 0.00 1.52 0.01 0.00 0.00 0.00 0.00 51.96 53.49 3lmt s ALA 11 Cb 0.00 -0.89 0.04 0.00 0.00 0.00 0.00 23.12 22.26 3lmt s ALA 11 CO 0.00 -0.25 -0.13 0.42 0.00 0.00 0.00 175.76 175.80 3lmt s ILE 12 N 0.57 1.71 -0.21 0.00 1.01 0.78 -1.13 121.20 123.93 3lmt s ILE 12 Ca -0.02 -0.94 -0.09 0.00 0.00 0.00 0.00 60.65 59.59 3lmt s ILE 12 Cb -0.04 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 3lmt s ILE 12 CO -0.03 0.28 0.11 -0.22 0.00 0.00 0.00 174.94 175.07 3lmt s LEU 13 N 1.39 3.92 0.15 2.97 0.20 -0.05 -1.35 118.68 125.92 3lmt s LEU 13 Ca 0.01 0.07 0.09 0.00 0.69 0.00 0.00 54.13 54.99 3lmt s LEU 13 Cb -0.15 -2.03 -0.04 0.00 -0.43 0.00 0.00 46.19 43.54 3lmt s LEU 13 CO -0.09 0.11 -0.21 -0.44 -0.29 0.00 0.00 176.35 175.43 3lmt s SER 14 N 0.79 2.83 0.44 3.68 0.01 0.18 -0.97 113.70 120.65 3lmt s SER 14 Ca 0.06 -0.81 0.03 0.00 1.31 0.00 0.00 55.95 56.54 3lmt s SER 14 Cb -0.13 -0.18 -0.02 0.00 0.21 0.00 0.00 66.02 65.91 3lmt s SER 14 CO 0.02 0.03 0.10 0.68 0.41 0.00 0.00 173.24 174.48 3lmt s VAL 15 N -1.69 0.71 -0.44 3.43 -7.23 -0.99 -0.12 120.40 114.07 3lmt s VAL 15 Ca 0.14 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 58.03 3lmt s VAL 15 Cb -0.07 -2.27 0.01 0.00 0.56 0.00 0.00 36.38 34.60 3lmt s VAL 15 CO 0.07 0.00 1.48 -0.13 -0.31 0.00 0.00 175.10 176.21 3lmt s ARG 16 N -3.74 3.44 -0.21 4.82 1.81 -1.26 -0.64 118.95 123.17 3lmt s ARG 16 Ca 0.18 0.88 -0.12 0.00 -1.72 0.00 0.00 55.73 54.95 3lmt s ARG 16 Cb 0.02 -4.08 -0.05 0.00 -0.45 0.00 0.00 34.95 30.39 3lmt s ARG 16 CO 0.12 -1.73 0.23 -0.51 -0.68 0.00 0.00 175.30 172.72 3lmt s LEU 27 N 5.91 4.16 -0.12 2.53 1.43 -1.26 -5.12 118.68 126.20 3lmt s LEU 27 Ca 0.62 0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 53.99 3lmt s LEU 27 Cb -0.14 -2.24 0.04 0.00 0.03 0.00 0.00 46.19 43.88 3lmt s LEU 27 CO 0.31 0.05 -0.02 -1.61 0.23 0.00 0.00 176.35 175.31 3lmt s GLU 28 N 0.93 0.97 0.25 1.70 0.41 0.18 -5.12 118.70 118.02 3lmt s GLU 28 Ca 0.12 -0.19 -0.31 0.00 -0.41 0.00 0.00 54.97 54.17 3lmt s GLU 28 Cb -0.13 -1.53 -0.12 0.00 -1.78 0.00 0.00 34.13 30.57 3lmt s GLU 28 CO 0.04 -0.39 1.67 0.42 -0.49 0.00 0.00 175.26 176.52 3lmt s ILE 29 N 1.83 2.02 0.00 -1.63 1.01 -1.26 -2.34 121.20 120.83 3lmt s ILE 29 Ca 0.03 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.70 3lmt s ILE 29 Cb -0.14 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.32 3lmt s ILE 29 CO -0.07 0.00 0.00 2.30 0.00 0.00 0.00 174.94 177.17 3lmt n ILE 30 N 3.19 0.00 -3.94 2.92 -5.35 -0.15 -4.96 119.36 111.07 3lmt n ILE 30 Ca 0.13 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.51 3lmt n ILE 30 Cb 0.36 0.28 -0.10 0.00 -1.74 0.00 0.00 39.64 38.44 3lmt n ILE 30 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3lmt s SER 31 N -1.37 0.16 -0.25 7.28 0.01 -1.16 -5.03 113.70 113.35 3lmt s SER 31 Ca 0.00 -0.40 -0.19 0.00 1.31 0.00 0.00 55.95 56.67 3lmt s SER 31 Cb 0.00 0.15 0.07 0.00 0.21 0.00 0.00 66.02 66.44 3lmt s SER 31 CO 0.00 -0.34 0.64 -0.70 0.41 0.00 0.00 173.24 173.25 3lmt s GLU 32 N -1.50 0.71 0.08 12.44 2.56 -1.26 -0.87 118.70 130.85 3lmt s GLU 32 Ca -0.15 0.98 0.02 0.00 0.00 0.00 0.00 54.97 55.83 3lmt s GLU 32 Cb -0.09 0.26 -0.03 0.00 2.00 0.00 0.00 34.13 36.27 3lmt s GLU 32 CO -0.00 -0.11 -0.08 0.96 -0.56 0.00 0.00 175.26 175.47 3lmt s ILE 33 N 0.81 0.70 0.00 -3.70 -4.36 -0.28 -4.98 121.20 109.39 3lmt s ILE 33 Ca -0.04 -1.57 0.00 0.00 -0.26 0.00 0.00 60.65 58.78 3lmt s ILE 33 Cb -0.05 -1.24 0.00 0.00 1.25 0.00 0.00 42.46 42.42 3lmt s ILE 33 CO -0.06 -0.63 0.00 0.29 0.24 0.00 0.00 174.94 174.77 3lmt n LYS 34 N 0.62 0.20 -1.94 0.37 4.76 -1.26 -0.97 118.16 119.93 3lmt n LYS 34 Ca -0.17 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 54.88 3lmt n LYS 34 Cb 0.58 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.78 3lmt n LYS 34 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3lmt s ASN 35 N -1.00 6.01 0.00 4.39 -0.87 -1.03 -2.85 114.94 119.58 3lmt s ASN 35 Ca 0.00 2.73 0.00 0.00 -1.57 0.00 0.00 52.86 54.02 3lmt s ASN 35 Cb 0.00 -2.64 0.00 0.00 -0.02 0.00 0.00 41.25 38.59 3lmt s ASN 35 CO 0.00 -1.06 0.00 0.61 -2.57 0.00 0.00 177.10 174.08 3lmt n GLY 36 N 0.63 -0.12 3.24 0.66 0.00 -0.64 -1.70 105.19 107.26 3lmt n GLY 36 Ca 0.05 -1.06 -0.27 0.00 0.00 0.00 0.00 46.02 44.75 3lmt n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3lmt s LEU 37 N 0.00 2.10 -0.16 0.99 1.43 -0.36 -0.81 118.68 121.87 3lmt s LEU 37 Ca 0.00 -0.45 -0.06 0.00 -1.03 0.00 0.00 54.13 52.59 3lmt s LEU 37 Cb 0.00 -1.05 -0.04 0.00 0.03 0.00 0.00 46.19 45.13 3lmt s LEU 37 CO 0.00 0.22 0.05 -0.51 0.23 0.00 0.00 176.35 176.34 3lmt s ILE 38 N -0.63 4.68 -0.22 -0.59 2.07 -0.66 -1.01 121.20 124.85 3lmt s ILE 38 Ca 0.08 -0.08 0.01 0.00 -1.41 0.00 0.00 60.65 59.25 3lmt s ILE 38 Cb -0.08 -3.08 0.05 0.00 0.13 0.00 0.00 42.46 39.48 3lmt s ILE 38 CO 0.00 0.50 -0.11 0.00 -1.91 0.00 0.00 174.94 173.43 3lmt s PHE 40 N 1.31 3.06 -0.27 0.00 0.08 -0.27 -0.99 117.98 120.90 3lmt s PHE 40 Ca -0.03 0.63 -0.07 0.00 0.12 0.00 0.00 56.93 57.57 3lmt s PHE 40 Cb -0.17 -3.63 -0.02 0.00 -0.57 0.00 0.00 43.02 38.63 3lmt s PHE 40 CO -0.08 -0.85 0.08 -1.17 -0.10 0.00 0.00 175.22 173.10 3lmt s LEU 41 N 3.41 3.60 -0.21 -0.37 0.20 0.11 -1.48 118.68 123.95 3lmt s LEU 41 Ca 0.36 -0.37 -0.06 0.00 0.69 0.00 0.00 54.13 54.74 3lmt s LEU 41 Cb -0.12 -1.92 -0.03 0.00 -0.43 0.00 0.00 46.19 43.69 3lmt s LEU 41 CO 0.20 -0.09 0.04 -0.83 -0.29 0.00 0.00 176.35 175.37 3lmt s GLY 42 N 1.58 1.79 -0.24 7.98 0.00 0.16 0.86 107.32 119.45 3lmt s GLY 42 Ca 0.05 -0.96 -0.09 0.00 0.00 0.00 0.00 44.72 43.72 3lmt s GLY 42 CO 0.03 0.27 0.13 -0.42 0.00 0.00 0.00 173.10 173.11 3lmt s ILE 43 N 0.99 5.06 0.49 0.90 1.01 -1.26 -0.72 121.20 127.68 3lmt s ILE 43 Ca 0.03 0.08 -0.18 0.00 0.00 0.00 0.00 60.65 60.57 3lmt s ILE 43 Cb -0.14 -3.36 -0.08 0.00 0.01 0.00 0.00 42.46 38.88 3lmt s ILE 43 CO 0.02 0.34 0.99 -2.28 0.00 0.00 0.00 174.94 174.02 3lmt s HIS 44 N 1.19 3.27 0.44 3.97 5.65 -1.26 -1.78 115.29 126.77 3lmt s HIS 44 Ca 0.06 1.53 0.19 0.00 0.25 0.00 0.00 55.06 57.10 3lmt s HIS 44 Cb -0.14 -2.88 1.15 0.00 -1.18 0.00 0.00 32.58 29.53 3lmt s HIS 44 CO 0.05 -0.46 2.01 1.57 -0.65 0.00 0.00 174.74 177.26 3lmt h LYS 45 N 1.26 0.00 -0.69 2.88 -0.00 -1.14 -2.38 116.57 116.49 3lmt h LYS 45 Ca -0.48 0.00 -0.28 0.00 -0.00 0.00 0.00 60.65 59.89 3lmt h LYS 45 Cb 1.19 0.00 -0.17 0.00 -0.00 0.00 0.00 32.23 33.26 3lmt h LYS 45 CO 0.60 0.17 0.29 0.09 -0.00 0.00 0.00 179.45 180.60 3lmt n ASN 46 N -4.07 3.95 -4.76 7.07 3.02 -1.26 -4.89 115.26 114.32 3lmt n ASN 46 Ca -0.02 -3.43 -0.39 0.00 -0.03 0.00 0.00 54.58 50.70 3lmt n ASN 46 Cb 0.25 -0.73 -0.05 0.00 -0.61 0.00 0.00 39.78 38.64 3lmt n ASN 46 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3lmt s ASP 47 N -1.51 7.23 0.44 6.41 1.01 -0.90 -5.05 116.67 124.31 3lmt s ASP 47 Ca 0.52 2.13 0.06 0.00 0.71 0.00 0.00 52.55 55.97 3lmt s ASP 47 Cb 0.44 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.72 3lmt s ASP 47 CO 0.10 -0.16 0.18 0.42 0.21 0.00 0.00 175.17 175.91 3lmt s THR 48 N -1.31 2.04 0.50 -1.27 -4.23 -1.26 -5.02 115.64 105.09 3lmt s THR 48 Ca 0.47 -1.72 0.23 0.00 -1.18 0.00 0.00 61.69 59.49 3lmt s THR 48 Cb -0.28 -2.76 0.28 0.00 1.34 0.00 0.00 72.50 71.08 3lmt s THR 48 CO 0.35 0.00 2.13 -0.25 -0.54 0.00 0.00 174.62 176.31 3lmt h TRP 49 N 1.34 0.00 -0.65 3.99 -0.00 -2.00 -1.81 115.95 116.81 3lmt h TRP 49 Ca -0.42 0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 58.42 3lmt h TRP 49 Cb 1.27 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 30.40 3lmt h TRP 49 CO 0.80 0.07 0.22 0.93 -0.00 0.00 0.00 178.44 180.47 3lmt h GLU 50 N 0.00 0.98 -0.56 2.65 4.39 -1.99 -1.30 114.58 118.74 3lmt h GLU 50 Ca -0.00 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.49 3lmt h GLU 50 Cb 0.15 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 3lmt h GLU 50 CO 0.01 0.82 0.22 -0.44 -1.16 0.00 0.00 179.01 178.47 3lmt h ASP 51 N 0.95 0.78 -0.27 1.42 3.32 -1.72 -2.08 116.42 118.81 3lmt h ASP 51 Ca 0.22 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3lmt h ASP 51 Cb 0.24 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3lmt h ASP 51 CO -0.01 0.74 0.17 0.00 -1.72 0.00 0.00 179.24 178.42 3lmt h ALA 52 N 1.07 0.35 -0.89 3.45 0.00 -1.37 -2.50 119.26 119.37 3lmt h ALA 52 Ca 0.19 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3lmt h ALA 52 Cb 0.20 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3lmt h ALA 52 CO -0.02 -0.17 0.59 -0.07 0.00 0.00 0.00 179.25 179.59 3lmt h LEU 53 N 0.36 1.02 -0.10 0.00 3.38 -0.99 -0.33 115.31 118.65 3lmt h LEU 53 Ca 0.10 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3lmt h LEU 53 Cb -0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3lmt h LEU 53 CO -0.02 0.74 0.06 0.22 0.09 0.00 0.00 178.44 179.53 3lmt h TYR 54 N 1.20 0.12 -0.06 1.13 3.20 -1.20 0.94 116.97 122.31 3lmt h TYR 54 Ca 0.33 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.23 3lmt h TYR 54 Cb -0.13 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.07 3lmt h TYR 54 CO -0.01 0.07 -0.12 0.82 -1.64 0.00 0.00 178.16 177.28 3lmt h ILE 55 N 0.13 0.67 -0.32 1.81 1.08 -0.97 0.24 117.51 120.15 3lmt h ILE 55 Ca 0.04 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.53 3lmt h ILE 55 Cb -0.01 0.67 -0.02 0.00 -3.07 0.00 0.00 36.82 34.39 3lmt h ILE 55 CO -0.01 0.00 0.17 0.40 -0.69 0.00 0.00 178.15 178.02 3lmt h ILE 56 N -0.18 1.01 -0.08 -0.67 2.04 -0.90 0.62 117.51 119.35 3lmt h ILE 56 Ca 0.06 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.84 3lmt h ILE 56 Cb 0.27 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 3lmt h ILE 56 CO -0.17 0.06 -0.24 -0.09 0.00 0.00 0.00 178.15 177.72 3lmt h ARG 57 N 0.36 -0.32 -0.14 2.37 2.43 -0.52 -1.23 114.38 117.32 3lmt h ARG 57 Ca 0.13 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3lmt h ARG 57 Cb 0.03 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 3lmt h ARG 57 CO -0.08 -0.21 0.09 0.87 -1.51 0.00 0.00 179.97 179.13 3lmt h LYS 58 N -0.33 0.19 -0.88 0.20 1.79 -0.63 -0.97 116.57 115.93 3lmt h LYS 58 Ca 0.09 -0.01 0.10 0.00 -2.18 0.00 0.00 60.65 58.65 3lmt h LYS 58 Cb 0.45 -0.04 -0.08 0.00 -1.58 0.00 0.00 32.23 30.99 3lmt h LYS 58 CO -0.27 0.14 0.52 0.00 -1.08 0.00 0.00 179.45 178.76 3lmt h LEU 60 N 0.85 0.00 -0.31 0.00 3.38 -0.87 -3.39 115.31 114.97 3lmt h LEU 60 Ca 0.43 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.33 3lmt h LEU 60 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3lmt h LEU 60 CO -0.26 0.04 0.00 0.59 0.09 0.00 0.00 178.44 178.90 3lmt n ASN 61 N -2.31 0.31 -4.75 -0.43 3.02 -0.40 -4.21 115.26 106.49 3lmt n ASN 61 Ca 0.04 -0.70 -0.41 0.00 -0.03 0.00 0.00 54.58 53.48 3lmt n ASN 61 Cb 0.45 0.21 -0.03 0.00 -0.61 0.00 0.00 39.78 39.80 3lmt n ASN 61 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3lmt s LEU 62 N -0.43 4.45 -0.73 3.41 1.43 -0.46 -4.83 118.68 121.52 3lmt s LEU 62 Ca 0.00 2.47 -0.16 0.00 -1.03 0.00 0.00 54.13 55.41 3lmt s LEU 62 Cb 0.00 -3.63 0.16 0.00 0.03 0.00 0.00 46.19 42.76 3lmt s LEU 62 CO 0.00 -0.45 0.75 -0.13 0.23 0.00 0.00 176.35 176.75 3lmt s ARG 63 N -0.95 3.35 -0.03 1.70 0.52 -1.26 -4.20 118.95 118.08 3lmt s ARG 63 Ca 0.52 -1.95 0.10 0.00 -0.52 0.00 0.00 55.73 53.88 3lmt s ARG 63 Cb -0.37 -4.44 0.29 0.00 0.52 0.00 0.00 34.95 30.96 3lmt s ARG 63 CO 0.44 -1.43 1.24 1.28 0.02 0.00 0.00 175.30 176.85 3lmt n LEU 64 N 5.14 2.92 -4.15 2.53 4.77 -0.72 -3.98 117.00 123.50 3lmt n LEU 64 Ca 0.04 -2.17 -0.25 0.00 -0.03 0.00 0.00 56.01 53.61 3lmt n LEU 64 Cb 0.45 -0.25 -0.15 0.00 -2.33 0.00 0.00 43.42 41.14 3lmt n LEU 64 CO 0.46 0.69 -0.50 0.26 -1.33 0.00 0.00 177.39 176.97 3lmt s TRP 65 N -1.30 1.57 0.92 -1.77 0.51 -1.08 -4.88 118.94 112.91 3lmt s TRP 65 Ca 0.23 -0.33 -0.12 0.00 -2.12 0.00 0.00 56.10 53.75 3lmt s TRP 65 Cb 0.14 -1.02 0.14 0.00 -0.81 0.00 0.00 33.47 31.92 3lmt s TRP 65 CO 0.12 -0.06 1.12 -0.80 -0.51 0.00 0.00 176.95 176.83 3lmt s ASN 66 N -0.30 3.40 -0.30 2.95 0.01 -1.26 -0.97 114.94 118.48 3lmt s ASN 66 Ca 0.04 1.08 -0.13 0.00 -0.71 0.00 0.00 52.86 53.15 3lmt s ASN 66 Cb -0.08 -1.70 0.17 0.00 0.41 0.00 0.00 41.25 40.05 3lmt s ASN 66 CO -0.00 -2.63 0.94 0.21 -1.51 0.00 0.00 177.10 174.11 3lmt s ASN 67 N -3.85 -0.67 -1.32 -1.22 2.47 0.17 -4.74 114.94 105.78 3lmt s ASN 67 Ca 0.64 0.70 -0.05 0.00 0.42 0.00 0.00 52.86 54.57 3lmt s ASN 67 Cb -0.16 1.68 0.02 0.00 -1.45 0.00 0.00 41.25 41.33 3lmt s ASN 67 CO 0.55 -0.13 0.99 -0.67 -3.72 0.00 0.00 177.10 174.12 3lmt n ASP 68 N 5.19 -3.48 -0.55 -4.21 2.03 -1.26 -0.34 116.55 113.92 3lmt n ASP 68 Ca -0.08 -0.66 -0.07 0.00 0.52 0.00 0.00 54.79 54.50 3lmt n ASP 68 Cb 0.52 -4.69 -0.03 0.00 -0.72 0.00 0.00 41.12 36.20 3lmt n ASP 68 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3lmt n ASN 69 N -3.04 -4.65 -4.21 1.67 6.94 -1.26 -4.98 115.26 105.73 3lmt n ASN 69 Ca -0.16 0.18 -0.33 0.00 -0.02 0.00 0.00 54.58 54.25 3lmt n ASN 69 Cb 0.62 -2.78 -0.16 0.00 -2.36 0.00 0.00 39.78 35.10 3lmt n ASN 69 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3lmt s LYS 70 N -2.27 3.14 0.28 -3.83 3.01 0.54 -5.13 119.74 115.48 3lmt s LYS 70 Ca 0.00 -0.77 -0.04 0.00 -1.01 0.00 0.00 55.97 54.15 3lmt s LYS 70 Cb 0.00 -2.63 -0.05 0.00 -1.01 0.00 0.00 37.83 34.15 3lmt s LYS 70 CO 0.00 -0.08 0.53 0.95 0.51 0.00 0.00 175.35 177.26 3lmt s THR 71 N 1.03 5.06 -1.25 2.17 -4.23 -1.26 0.41 115.64 117.58 3lmt s THR 71 Ca -0.01 -0.08 -0.10 0.00 -1.18 0.00 0.00 61.69 60.32 3lmt s THR 71 Cb -0.15 -3.75 -0.01 0.00 1.34 0.00 0.00 72.50 69.94 3lmt s THR 71 CO -0.04 -0.33 0.67 0.79 -0.54 0.00 0.00 174.62 175.17 3lmt n TRP 72 N -1.00 -1.85 -0.00 3.99 7.02 -1.25 -4.90 117.44 119.45 3lmt n TRP 72 Ca -0.03 0.63 0.00 0.00 -1.02 0.00 0.00 57.50 57.08 3lmt n TRP 72 Cb 0.54 -3.74 -0.00 0.00 -2.42 0.00 0.00 31.31 25.69 3lmt n TRP 72 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3lmt n ASP 73 N -2.86 4.99 -4.14 -0.99 2.03 -0.14 -4.74 116.55 110.70 3lmt n ASP 73 Ca -0.20 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 54.97 3lmt n ASP 73 Cb 0.64 0.94 -0.11 0.00 -0.72 0.00 0.00 41.12 41.86 3lmt n ASP 73 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3lmt s LYS 74 N -2.00 0.75 0.55 -0.67 -0.14 -0.70 -4.97 119.74 112.56 3lmt s LYS 74 Ca -0.00 -1.03 0.05 0.00 -1.36 0.00 0.00 55.97 53.64 3lmt s LYS 74 Cb 0.00 -0.48 0.04 0.00 -1.68 0.00 0.00 37.83 35.71 3lmt s LYS 74 CO 0.00 0.08 0.42 0.54 -0.76 0.00 0.00 175.35 175.63 3lmt s ASN 75 N -2.14 4.63 0.35 2.83 2.20 -1.26 -1.76 114.94 119.80 3lmt s ASN 75 Ca 0.00 -1.26 0.05 0.00 -0.94 0.00 0.00 52.86 50.72 3lmt s ASN 75 Cb -0.05 0.46 0.67 0.00 -2.00 0.00 0.00 41.25 40.32 3lmt s ASN 75 CO 0.00 -1.13 1.91 1.62 -2.94 0.00 0.00 177.10 176.56 3lmt h VAL 76 N 0.72 1.18 -0.03 3.54 3.04 -1.76 -2.47 116.25 120.47 3lmt h VAL 76 Ca -0.36 -0.67 -0.11 0.00 -1.01 0.00 0.00 66.70 64.55 3lmt h VAL 76 Cb 1.30 0.88 0.01 0.00 -2.01 0.00 0.00 31.29 31.47 3lmt h VAL 76 CO 0.57 0.23 -0.41 0.11 -1.01 0.00 0.00 177.57 177.06 3lmt h LYS 77 N 0.49 0.33 -1.06 4.17 1.57 -1.87 0.62 116.57 120.83 3lmt h LYS 77 Ca 0.11 -0.32 0.31 0.00 -1.87 0.00 0.00 60.65 58.89 3lmt h LYS 77 Cb 0.26 0.08 -0.13 0.00 0.08 0.00 0.00 32.23 32.52 3lmt h LYS 77 CO 0.00 0.99 0.64 -0.44 -0.57 0.00 0.00 179.45 180.07 3lmt h ASP 78 N -0.20 0.49 -0.43 0.86 3.32 -1.85 -0.59 116.42 118.02 3lmt h ASP 78 Ca -0.04 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3lmt h ASP 78 Cb 1.11 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3lmt h ASP 78 CO 0.08 -0.04 0.00 0.18 -1.72 0.00 0.00 179.24 177.74 3lmt n LEU 79 N -4.87 3.50 -3.47 1.55 4.77 -0.95 -4.96 117.00 112.58 3lmt n LEU 79 Ca 0.30 -1.57 -0.25 0.00 -0.03 0.00 0.00 56.01 54.46 3lmt n LEU 79 Cb 0.98 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 3lmt n LEU 79 CO 0.16 0.77 -0.01 0.59 -1.33 0.00 0.00 177.39 177.57 3lmt n ASN 80 N 1.48 -4.11 -4.65 -1.43 3.02 -0.23 -4.97 115.26 104.37 3lmt n ASN 80 Ca 0.20 -0.48 -0.26 0.00 -0.03 0.00 0.00 54.58 54.00 3lmt n ASN 80 Cb 0.60 -3.37 0.11 0.00 -0.61 0.00 0.00 39.78 36.52 3lmt n ASN 80 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3lmt s TYR 81 N -3.04 2.18 0.32 3.10 2.02 0.15 -5.02 117.35 117.06 3lmt s TYR 81 Ca 0.46 0.18 0.08 0.00 -0.37 0.00 0.00 57.07 57.41 3lmt s TYR 81 Cb -0.24 -3.36 -0.03 0.00 -0.40 0.00 0.00 41.96 37.93 3lmt s TYR 81 CO 0.56 -1.80 0.23 -1.21 -1.57 0.00 0.00 175.55 171.76 3lmt s GLU 82 N -5.36 2.66 -0.03 -0.62 2.02 -0.69 -4.78 118.70 111.89 3lmt s GLU 82 Ca 0.65 -1.32 0.04 0.00 0.02 0.00 0.00 54.97 54.36 3lmt s GLU 82 Cb -0.07 -2.41 -0.01 0.00 0.10 0.00 0.00 34.13 31.74 3lmt s GLU 82 CO 0.46 0.15 -0.15 -0.51 0.02 0.00 0.00 175.26 175.24 3lmt s LEU 83 N -3.93 1.94 -0.25 1.80 1.02 -0.09 -1.22 118.68 117.95 3lmt s LEU 83 Ca 0.39 -0.30 -0.03 0.00 0.02 0.00 0.00 54.13 54.21 3lmt s LEU 83 Cb -0.05 -0.84 0.02 0.00 0.02 0.00 0.00 46.19 45.34 3lmt s LEU 83 CO 0.25 0.15 -0.04 -0.22 0.02 0.00 0.00 176.35 176.52 3lmt s LEU 84 N -0.09 3.27 -0.29 1.79 2.96 -0.18 -1.02 118.68 125.11 3lmt s LEU 84 Ca 0.00 -0.81 -0.09 0.00 -0.22 0.00 0.00 54.13 53.01 3lmt s LEU 84 Cb -0.09 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 3lmt s LEU 84 CO 0.01 -0.13 0.13 -0.63 -1.32 0.00 0.00 176.35 174.41 3lmt s ILE 85 N 1.36 4.61 -0.15 6.68 -1.09 -0.12 -0.40 121.20 132.10 3lmt s ILE 85 Ca 0.01 -0.25 0.01 0.00 -2.23 0.00 0.00 60.65 58.19 3lmt s ILE 85 Cb -0.17 -3.27 0.00 0.00 -1.58 0.00 0.00 42.46 37.45 3lmt s ILE 85 CO -0.03 0.18 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.00 3lmt s VAL 86 N 1.64 2.49 0.36 2.92 1.01 -0.16 -3.35 120.40 125.30 3lmt s VAL 86 Ca 0.06 -0.83 -0.27 0.00 0.00 0.00 0.00 61.98 60.94 3lmt s VAL 86 Cb -0.16 -2.03 -0.09 0.00 0.00 0.00 0.00 36.38 34.09 3lmt s VAL 86 CO 0.06 0.53 1.14 -0.55 0.00 0.00 0.00 175.10 176.27 3lmt s SER 87 N 0.79 6.83 -0.39 3.32 0.15 -1.26 0.08 113.70 123.21 3lmt s SER 87 Ca -0.06 2.30 0.03 0.00 0.70 0.00 0.00 55.95 58.92 3lmt s SER 87 Cb -0.15 -2.62 0.16 0.00 -1.71 0.00 0.00 66.02 61.70 3lmt s SER 87 CO -0.00 -0.46 0.38 -1.58 1.20 0.00 0.00 173.24 172.78 3lmt s GLN 88 N -2.02 0.74 0.53 5.44 2.00 0.25 -4.74 119.66 121.86 3lmt s GLN 88 Ca 0.52 -1.28 0.26 0.00 -2.00 0.00 0.00 55.36 52.87 3lmt s GLN 88 Cb -0.30 -0.92 1.47 0.00 0.80 0.00 0.00 33.01 34.06 3lmt s GLN 88 CO 0.39 -1.26 2.10 0.27 -0.50 0.00 0.00 175.29 176.28 3lmt h PHE 89 N 6.47 0.00 0.00 1.67 -5.15 -1.95 -2.43 116.94 115.55 3lmt h PHE 89 Ca 0.11 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.88 3lmt h PHE 89 Cb 1.01 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.18 3lmt h PHE 89 CO 0.30 0.10 0.00 1.79 -2.00 0.00 0.00 178.31 178.51 3lmt h THR 90 N 0.00 0.00 0.00 0.88 1.35 -1.95 0.03 112.91 113.22 3lmt h THR 90 Ca -0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 3lmt h THR 90 Cb 0.27 0.67 0.00 0.00 -1.73 0.00 0.00 68.15 67.35 3lmt h THR 90 CO 0.01 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.46 3lmt n LEU 91 N -2.42 0.00 -0.85 3.87 4.77 -0.91 -0.14 117.00 121.33 3lmt n LEU 91 Ca -0.01 0.44 0.03 0.00 -0.03 0.00 0.00 56.01 56.44 3lmt n LEU 91 Cb 0.08 -0.44 0.21 0.00 -2.33 0.00 0.00 43.42 40.94 3lmt n LEU 91 CO 0.13 -0.36 0.64 0.49 -1.33 0.00 0.00 177.39 176.96 3lmt n PHE 92 N -1.44 0.75 -2.28 -1.77 3.72 -0.00 -4.90 117.46 111.55 3lmt n PHE 92 Ca 0.02 -1.29 -0.33 0.00 -0.05 0.00 0.00 57.45 55.80 3lmt n PHE 92 Cb 0.05 -0.36 -0.04 0.00 -0.94 0.00 0.00 39.48 38.19 3lmt n PHE 92 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3lmt s GLY 93 N -2.50 0.68 0.20 1.37 0.00 0.81 -4.14 107.32 103.74 3lmt s GLY 93 Ca 0.41 -1.98 -0.32 0.00 0.00 0.00 0.00 44.72 42.84 3lmt s GLY 93 CO 0.02 3.15 1.63 0.21 0.00 0.00 0.00 173.10 178.12 3lmt s ASN 94 N 6.44 6.48 0.00 1.64 3.84 -0.09 -4.73 114.94 128.52 3lmt s ASN 94 Ca 0.60 2.76 0.00 0.00 0.21 0.00 0.00 52.86 56.43 3lmt s ASN 94 Cb -0.03 -2.60 0.00 0.00 -0.55 0.00 0.00 41.25 38.07 3lmt s ASN 94 CO -0.01 -0.89 0.38 0.35 -2.79 0.00 0.00 177.10 174.14 3lmt n THR 95 N 3.76 0.15 -0.32 -5.21 -2.24 -1.26 -1.71 114.28 107.45 3lmt n THR 95 Ca 0.14 -0.27 0.13 0.00 -2.27 0.00 0.00 64.05 61.78 3lmt n THR 95 Cb 0.37 1.31 0.31 0.00 -2.10 0.00 0.00 70.33 70.21 3lmt n THR 95 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3lmt h LYS 96 N 0.00 0.53 -0.78 -0.78 1.57 -1.97 -2.71 116.57 112.43 3lmt h LYS 96 Ca 0.00 -0.03 -0.50 0.00 -1.87 0.00 0.00 60.65 58.25 3lmt h LYS 96 Cb 0.49 -0.12 -0.28 0.00 0.08 0.00 0.00 32.23 32.40 3lmt h LYS 96 CO 0.00 0.35 0.21 1.63 -0.57 0.00 0.00 179.45 181.07 3lmt n LYS 97 N -4.93 2.61 0.00 3.15 4.76 -1.26 -5.01 118.16 117.48 3lmt n LYS 97 Ca 0.22 -3.42 0.00 0.00 -2.87 0.00 0.00 58.31 52.24 3lmt n LYS 97 Cb 0.61 -2.15 0.00 0.00 -1.84 0.00 0.00 35.03 31.65 3lmt n LYS 97 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3lmt n GLY 98 N -0.96 3.17 0.79 0.72 0.00 -1.02 -4.96 105.19 102.92 3lmt n GLY 98 Ca 0.51 -1.54 0.13 0.00 0.00 0.00 0.00 46.02 45.11 3lmt n GLY 98 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3lmt n ASN 99 N 0.00 2.48 -4.52 1.61 3.02 -1.26 -4.58 115.26 112.00 3lmt n ASN 99 Ca 0.00 -1.81 -0.41 0.00 -0.03 0.00 0.00 54.58 52.32 3lmt n ASN 99 Cb 0.00 0.02 -0.10 0.00 -0.61 0.00 0.00 39.78 39.09 3lmt n ASN 99 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3lmt s LYS 100 N -2.02 3.42 0.29 3.52 2.20 -1.26 -5.06 119.74 120.83 3lmt s LYS 100 Ca 0.31 -0.58 -0.29 0.00 -0.36 0.00 0.00 55.97 55.05 3lmt s LYS 100 Cb 0.20 -3.85 -0.10 0.00 -1.51 0.00 0.00 37.83 32.58 3lmt s LYS 100 CO 0.32 -0.58 1.23 -2.14 -0.36 0.00 0.00 175.35 173.82 3lmt s PRO 101 N 1.94 4.47 -0.09 4.03 0.02 -1.26 -4.90 135.00 139.21 3lmt s PRO 101 Ca 0.10 2.04 0.02 0.00 0.02 0.00 0.00 61.00 63.17 3lmt s PRO 101 Cb -0.17 -3.13 -0.02 0.00 0.02 0.00 0.00 34.50 31.20 3lmt s PRO 101 CO 0.12 -0.04 -0.13 0.16 -0.33 0.00 0.00 177.00 176.77 3lmt s ASP 102 N -0.52 4.06 -0.51 2.53 1.47 -0.69 -4.92 116.67 118.08 3lmt s ASP 102 Ca 0.48 -0.25 0.03 0.00 1.18 0.00 0.00 52.55 53.99 3lmt s ASP 102 Cb -0.36 -1.23 0.43 0.00 -0.34 0.00 0.00 42.92 41.42 3lmt s ASP 102 CO 0.46 0.26 1.55 0.49 0.68 0.00 0.00 175.17 178.61 3lmt n PHE 103 N 2.89 3.05 0.11 2.11 3.72 -1.26 -0.92 117.46 127.16 3lmt n PHE 103 Ca -0.18 -2.64 -0.13 0.00 -0.05 0.00 0.00 57.45 54.45 3lmt n PHE 103 Cb 0.52 -0.75 -0.07 0.00 -0.94 0.00 0.00 39.48 38.25 3lmt n PHE 103 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3lmt h HIS 104 N 2.32 -0.25 0.00 1.38 3.86 -1.97 -3.02 115.15 117.47 3lmt h HIS 104 Ca 0.46 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.67 3lmt h HIS 104 Cb 0.99 0.09 -0.00 0.00 1.06 0.00 0.00 27.41 29.56 3lmt h HIS 104 CO 1.07 -0.15 -0.00 -0.07 0.86 0.00 0.00 177.93 179.63 3lmt h LEU 105 N -0.23 0.00 -9.63 2.43 4.07 -1.86 -3.43 115.31 106.65 3lmt h LEU 105 Ca -0.00 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 57.43 3lmt h LEU 105 Cb 0.21 0.00 0.05 0.00 1.08 0.00 0.00 40.66 42.00 3lmt h LEU 105 CO -0.01 0.00 0.95 0.00 -1.08 0.00 0.00 178.44 178.31 3lmt s ALA 106 N -3.96 3.87 0.56 1.53 0.00 -1.14 -0.67 121.76 121.94 3lmt s ALA 106 Ca -0.03 1.49 -0.21 0.00 0.00 0.00 0.00 51.96 53.22 3lmt s ALA 106 Cb 0.11 -3.66 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 3lmt s ALA 106 CO 0.46 -0.86 1.23 1.17 0.00 0.00 0.00 175.76 177.76 3lmt n LYS 107 N 3.99 1.42 -1.97 0.00 4.81 -0.74 -4.58 118.16 121.09 3lmt n LYS 107 Ca 0.15 0.53 -0.42 0.00 -0.87 0.00 0.00 58.31 57.70 3lmt n LYS 107 Cb 0.37 -2.43 -0.03 0.00 0.02 0.00 0.00 35.03 32.96 3lmt n LYS 107 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 3lmt s GLU 108 N -2.82 4.23 0.15 1.64 -1.05 -1.26 -4.77 118.70 114.82 3lmt s GLU 108 Ca 0.73 2.32 -0.15 0.00 -0.15 0.00 0.00 54.97 57.73 3lmt s GLU 108 Cb -0.43 -3.15 0.12 0.00 -0.44 0.00 0.00 34.13 30.23 3lmt s GLU 108 CO 0.48 -0.55 1.09 -2.30 0.95 0.00 0.00 175.26 174.94 3lmt n PRO 109 N 3.57 -0.20 0.25 -4.83 -0.02 -1.26 -0.45 135.00 132.05 3lmt n PRO 109 Ca 0.12 1.08 -0.17 0.00 -2.02 0.00 0.00 63.50 62.51 3lmt n PRO 109 Cb 0.39 -1.60 -0.09 0.00 -0.02 0.00 0.00 33.50 32.19 3lmt n PRO 109 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3lmt h ASN 110 N 0.00 -1.21 -0.43 2.55 2.35 -2.01 0.15 115.58 116.99 3lmt h ASN 110 Ca 0.21 0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 56.05 3lmt h ASN 110 Cb 0.39 0.41 -0.02 0.00 0.05 0.00 0.00 38.32 39.14 3lmt h ASN 110 CO -0.69 -0.58 0.23 -0.33 -1.65 0.00 0.00 177.43 174.41 3lmt h GLU 111 N -0.87 0.63 -0.19 0.81 3.07 -1.84 -2.82 114.58 113.37 3lmt h GLU 111 Ca -0.04 -0.07 0.01 0.00 -0.50 0.00 0.00 59.36 58.76 3lmt h GLU 111 Cb 0.78 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.54 3lmt h GLU 111 CO -0.08 0.49 0.10 0.00 -1.40 0.00 0.00 179.01 178.12 3lmt h ALA 112 N 1.62 0.23 -0.53 3.43 0.00 0.15 -2.23 119.26 121.94 3lmt h ALA 112 Ca 0.16 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.14 3lmt h ALA 112 Cb 0.05 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 3lmt h ALA 112 CO -0.02 -0.31 0.21 1.25 0.00 0.00 0.00 179.25 180.37 3lmt h LEU 113 N 0.22 0.24 0.46 0.00 5.85 -0.48 0.40 115.31 121.99 3lmt h LEU 113 Ca 0.08 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3lmt h LEU 113 Cb 0.00 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.07 3lmt h LEU 113 CO -0.04 0.16 -0.22 0.40 -0.34 0.00 0.00 178.44 178.40 3lmt h ILE 114 N 0.40 0.55 -0.27 4.05 5.03 -1.47 -0.18 117.51 125.62 3lmt h ILE 114 Ca 0.25 -0.04 0.06 0.00 -0.12 0.00 0.00 64.86 65.01 3lmt h ILE 114 Cb 0.26 0.58 -0.07 0.00 -3.03 0.00 0.00 36.82 34.56 3lmt h ILE 114 CO -0.24 0.01 -0.17 0.15 -0.68 0.00 0.00 178.15 177.22 3lmt h PHE 115 N -0.64 -0.41 -0.62 1.37 3.57 -0.96 -0.97 116.94 118.27 3lmt h PHE 115 Ca -0.06 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.55 3lmt h PHE 115 Cb 0.48 0.22 -0.07 0.00 2.79 0.00 0.00 35.95 39.38 3lmt h PHE 115 CO -0.04 -0.24 0.28 -0.92 -2.23 0.00 0.00 178.31 175.16 3lmt h TYR 116 N -0.14 0.49 -0.32 0.41 3.20 0.00 -0.95 116.97 119.67 3lmt h TYR 116 Ca 0.15 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 3lmt h TYR 116 Cb 0.36 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 3lmt h TYR 116 CO -0.35 0.17 -0.00 -0.91 -1.64 0.00 0.00 178.16 175.44 3lmt h ASN 117 N 0.50 0.45 -0.62 -2.11 2.35 -0.10 -0.98 115.58 115.06 3lmt h ASN 117 Ca 0.30 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.95 3lmt h ASN 117 Cb 0.32 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 3lmt h ASN 117 CO -0.26 0.52 0.31 0.11 -1.65 0.00 0.00 177.43 176.46 3lmt h LYS 118 N 0.47 0.89 -0.47 0.81 6.56 0.04 -1.99 116.57 122.88 3lmt h LYS 118 Ca 0.10 -0.13 -0.00 0.00 -1.06 0.00 0.00 60.65 59.56 3lmt h LYS 118 Cb 0.31 -0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 31.78 3lmt h LYS 118 CO 0.01 0.71 0.28 0.82 -2.06 0.00 0.00 179.45 179.20 3lmt h ILE 119 N 0.85 1.15 -0.78 1.86 2.04 -0.41 -1.55 117.51 120.68 3lmt h ILE 119 Ca 0.21 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 3lmt h ILE 119 Cb 0.10 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 3lmt h ILE 119 CO -0.03 0.16 0.42 0.40 0.00 0.00 0.00 178.15 179.10 3lmt h ILE 120 N 0.62 1.23 -0.53 -0.67 1.08 -0.96 -0.75 117.51 117.53 3lmt h ILE 120 Ca 0.17 -0.58 -0.06 0.00 -0.39 0.00 0.00 64.86 64.00 3lmt h ILE 120 Cb 0.01 0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 33.93 3lmt h ILE 120 CO -0.03 0.26 0.10 0.44 -0.69 0.00 0.00 178.15 178.23 3lmt h ASP 121 N 1.09 0.82 -0.62 1.72 3.32 -1.01 -2.42 116.42 119.33 3lmt h ASP 121 Ca 0.27 -0.25 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 3lmt h ASP 121 Cb 0.03 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 3lmt h ASP 121 CO -0.04 0.86 0.17 -0.08 -1.72 0.00 0.00 179.24 178.43 3lmt h GLU 122 N 0.75 0.97 -0.52 3.56 4.57 -0.79 0.43 114.58 123.54 3lmt h GLU 122 Ca 0.16 -0.22 0.11 0.00 -1.18 0.00 0.00 59.36 58.22 3lmt h GLU 122 Cb 0.38 -0.13 -0.09 0.00 -0.16 0.00 0.00 28.75 28.74 3lmt h GLU 122 CO 0.01 0.87 -0.08 0.74 -1.18 0.00 0.00 179.01 179.37 3lmt h PHE 123 N 0.89 -0.19 -0.45 0.92 0.04 -1.03 0.95 116.94 118.07 3lmt h PHE 123 Ca 0.20 0.04 -0.11 0.00 2.80 0.00 0.00 57.97 60.90 3lmt h PHE 123 Cb 0.32 0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 3lmt h PHE 123 CO 0.02 -0.19 -0.13 0.87 -0.60 0.00 0.00 178.31 178.28 3lmt h LYS 124 N 0.04 0.89 -0.37 1.51 1.57 -0.87 -0.45 116.57 118.88 3lmt h LYS 124 Ca 0.26 -0.35 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 3lmt h LYS 124 Cb 0.40 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 3lmt h LYS 124 CO -0.50 1.00 0.08 -0.22 -0.57 0.00 0.00 179.45 179.24 3lmt h LYS 125 N 0.73 0.55 0.00 3.15 3.64 -0.50 -2.35 116.57 121.78 3lmt h LYS 125 Ca 0.11 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3lmt h LYS 125 Cb 0.68 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3lmt h LYS 125 CO 0.05 0.51 -0.51 1.04 -2.27 0.00 0.00 179.45 178.27 3lmt n GLN 126 N -4.33 0.15 0.00 1.90 6.02 0.29 -4.80 117.38 116.62 3lmt n GLN 126 Ca 0.02 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 3lmt n GLN 126 Cb 0.19 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 29.85 3lmt n GLN 126 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3lmt n TYR 127 N -1.83 0.00 -3.63 1.08 9.36 -0.22 -5.07 117.16 116.86 3lmt n TYR 127 Ca 0.04 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.23 3lmt n TYR 127 Cb 0.39 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.04 3lmt n TYR 127 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3lmt s ASN 128 N 1.00 -0.71 0.54 2.98 3.84 -0.91 -4.99 114.94 116.69 3lmt s ASN 128 Ca 0.00 1.12 0.34 0.00 0.21 0.00 0.00 52.86 54.53 3lmt s ASN 128 Cb 0.00 1.36 1.52 0.00 -0.55 0.00 0.00 41.25 43.58 3lmt s ASN 128 CO 0.00 -0.17 1.85 0.44 -2.79 0.00 0.00 177.10 176.42 3lmt h ASP 129 N 6.61 0.00 0.19 -4.21 5.19 -1.92 -1.47 116.42 120.81 3lmt h ASP 129 Ca -0.28 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 3lmt h ASP 129 Cb 1.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.71 3lmt h ASP 129 CO 0.17 0.00 -0.44 -0.67 -3.12 0.00 0.00 179.24 175.18 3lmt n ASP 130 N -4.22 1.19 -0.58 6.45 2.03 -1.26 -3.99 116.55 116.17 3lmt n ASP 130 Ca 0.22 -0.95 0.11 0.00 0.52 0.00 0.00 54.79 54.69 3lmt n ASP 130 Cb 1.10 0.34 0.06 0.00 -0.72 0.00 0.00 41.12 41.90 3lmt n ASP 130 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3lmt n LYS 131 N -0.73 1.43 -3.89 -0.67 4.76 -0.55 -4.87 118.16 113.64 3lmt n LYS 131 Ca 0.09 -1.16 -0.35 0.00 -2.87 0.00 0.00 58.31 54.02 3lmt n LYS 131 Cb 0.37 -1.48 -0.14 0.00 -1.84 0.00 0.00 35.03 31.95 3lmt n LYS 131 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3lmt s ILE 132 N -2.37 3.14 0.23 -0.18 -1.09 -1.24 -0.91 121.20 118.77 3lmt s ILE 132 Ca 0.21 -1.19 0.08 0.00 -2.23 0.00 0.00 60.65 57.52 3lmt s ILE 132 Cb 0.19 -2.73 -0.04 0.00 -1.58 0.00 0.00 42.46 38.30 3lmt s ILE 132 CO 0.51 -0.01 0.08 -0.54 -1.23 0.00 0.00 174.94 173.74 3lmt s LYS 133 N 1.31 2.60 0.25 2.79 -0.14 -0.19 -5.02 119.74 121.34 3lmt s LYS 133 Ca -0.03 -1.15 0.01 0.00 -1.36 0.00 0.00 55.97 53.44 3lmt s LYS 133 Cb -0.19 -2.40 -0.05 0.00 -1.68 0.00 0.00 37.83 33.51 3lmt s LYS 133 CO -0.01 0.41 0.11 0.96 -0.76 0.00 0.00 175.35 176.06 3lmt s ILE 134 N -2.04 0.39 0.00 2.17 -4.36 -1.26 -0.95 121.20 115.15 3lmt s ILE 134 Ca 0.31 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.70 3lmt s ILE 134 Cb -0.08 -2.59 0.00 0.00 1.25 0.00 0.00 42.46 41.04 3lmt s ILE 134 CO 0.22 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.01 3lmt n GLY 135 N -0.42 1.10 3.21 6.27 0.00 -1.21 -4.71 105.19 109.42 3lmt n GLY 135 Ca 0.01 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 3lmt n GLY 135 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3lmt s LYS 136 N 2.09 2.58 0.12 1.61 2.20 -1.26 -5.05 119.74 122.03 3lmt s LYS 136 Ca 0.00 -1.93 -0.35 0.00 -0.36 0.00 0.00 55.97 53.33 3lmt s LYS 136 Cb 0.00 -3.94 -0.16 0.00 -1.51 0.00 0.00 37.83 32.21 3lmt s LYS 136 CO 0.00 -1.20 1.29 0.34 -0.36 0.00 0.00 175.35 175.42 3lmt n PHE 137 N 4.64 1.46 -0.91 4.03 7.35 -1.26 -1.19 117.46 131.58 3lmt n PHE 137 Ca -0.04 0.64 0.00 0.00 -0.76 0.00 0.00 57.45 57.29 3lmt n PHE 137 Cb 0.41 -2.32 0.00 0.00 0.35 0.00 0.00 39.48 37.92 3lmt n PHE 137 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3lmt n GLY 138 N 2.37 0.51 3.69 7.13 0.00 -1.26 -5.00 105.19 112.63 3lmt n GLY 138 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 3lmt n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3lmt s ASN 139 N -2.36 5.00 0.32 1.61 0.02 -0.34 -5.09 114.94 114.11 3lmt s ASN 139 Ca 0.00 -0.26 -0.29 0.00 -1.02 0.00 0.00 52.86 51.29 3lmt s ASN 139 Cb 0.00 -1.16 -0.11 0.00 0.02 0.00 0.00 41.25 40.00 3lmt s ASN 139 CO 0.00 0.12 1.48 -0.47 0.02 0.00 0.00 177.10 178.25 3lmt s TYR 140 N -1.55 2.78 0.04 2.20 5.04 -1.26 -4.86 117.35 119.74 3lmt s TYR 140 Ca 0.27 1.07 0.03 0.00 -2.44 0.00 0.00 57.07 56.00 3lmt s TYR 140 Cb -0.10 -3.95 -0.02 0.00 0.35 0.00 0.00 41.96 38.23 3lmt s TYR 140 CO 0.19 -2.93 -0.09 -1.64 -1.34 0.00 0.00 175.55 169.74 3lmt s MET 141 N -1.29 0.59 -0.20 4.97 -1.94 -1.26 -4.26 119.30 115.91 3lmt s MET 141 Ca 0.56 -0.76 -0.01 0.00 -1.71 0.00 0.00 55.69 53.77 3lmt s MET 141 Cb -0.45 -0.43 0.01 0.00 2.01 0.00 0.00 34.83 35.97 3lmt s MET 141 CO 0.54 0.09 -0.12 1.21 -0.01 0.00 0.00 175.02 176.73 3lmt s ASN 142 N -1.50 3.75 -0.29 3.03 2.47 0.83 -4.97 114.94 118.27 3lmt s ASN 142 Ca -0.07 -0.55 0.03 0.00 0.42 0.00 0.00 52.86 52.69 3lmt s ASN 142 Cb -0.09 -1.61 0.08 0.00 -1.45 0.00 0.00 41.25 38.17 3lmt s ASN 142 CO 0.01 -0.02 -0.01 -0.63 -3.72 0.00 0.00 177.10 172.73 3lmt s ILE 143 N 1.38 1.96 -0.35 -5.21 1.01 -1.26 0.49 121.20 119.21 3lmt s ILE 143 Ca 0.05 -1.82 -0.29 0.00 0.00 0.00 0.00 60.65 58.59 3lmt s ILE 143 Cb -0.14 -2.29 0.02 0.00 0.01 0.00 0.00 42.46 40.06 3lmt s ILE 143 CO -0.08 -0.34 1.15 -1.81 0.00 0.00 0.00 174.94 173.86 3lmt s ASP 144 N 1.13 6.79 -0.08 3.58 1.01 -0.45 -4.91 116.67 123.72 3lmt s ASP 144 Ca 0.02 0.94 0.05 0.00 0.71 0.00 0.00 52.55 54.27 3lmt s ASP 144 Cb -0.19 -2.54 -0.00 0.00 1.01 0.00 0.00 42.92 41.19 3lmt s ASP 144 CO -0.08 -1.03 -0.24 -0.69 0.21 0.00 0.00 175.17 173.34 3lmt s VAL 145 N 4.05 2.08 -0.60 -1.27 1.01 -1.26 -0.15 120.40 124.26 3lmt s VAL 145 Ca 0.49 -1.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.28 3lmt s VAL 145 Cb -0.12 -1.77 0.14 0.00 0.00 0.00 0.00 36.38 34.63 3lmt s VAL 145 CO 0.21 0.56 0.57 -0.89 0.00 0.00 0.00 175.10 175.56 3lmt s THR 146 N 0.13 5.25 0.04 3.92 2.01 -0.56 -5.02 115.64 121.42 3lmt s THR 146 Ca -0.12 -1.65 -0.30 0.00 0.31 0.00 0.00 61.69 59.93 3lmt s THR 146 Cb -0.16 -4.38 -0.06 0.00 0.01 0.00 0.00 72.50 67.91 3lmt s THR 146 CO 0.07 -0.92 1.27 0.20 -0.69 0.00 0.00 174.62 174.54 3lmt s ASN 147 N 3.34 6.99 -0.73 3.53 0.01 -1.26 -1.48 114.94 125.34 3lmt s ASN 147 Ca 0.07 2.05 -0.03 0.00 -0.71 0.00 0.00 52.86 54.23 3lmt s ASN 147 Cb -0.26 -2.57 0.18 0.00 0.41 0.00 0.00 41.25 39.01 3lmt s ASN 147 CO 0.01 -0.57 0.57 -0.62 -1.51 0.00 0.00 177.10 174.98 3lmt s ASP 148 N 1.30 5.59 0.00 -1.22 2.15 -0.33 -4.71 116.67 119.45 3lmt s ASP 148 Ca 0.60 -3.12 0.00 0.00 0.43 0.00 0.00 52.55 50.46 3lmt s ASP 148 Cb -0.30 -1.90 0.00 0.00 -0.30 0.00 0.00 42.92 40.42 3lmt s ASP 148 CO 0.28 -0.33 0.00 0.61 -0.17 0.00 0.00 175.17 175.56 3lmt n GLY 149 N 3.16 0.58 3.84 2.66 0.00 -1.26 -3.75 105.19 110.41 3lmt n GLY 149 Ca 0.13 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3lmt n GLY 149 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3lmt s PRO 150 N 0.00 2.88 -0.23 1.61 0.02 -1.26 -5.15 135.00 132.87 3lmt s PRO 150 Ca 0.00 0.75 0.01 0.00 0.02 0.00 0.00 61.00 61.78 3lmt s PRO 150 Cb 0.00 -2.00 0.06 0.00 0.02 0.00 0.00 34.50 32.58 3lmt s PRO 150 CO 0.00 -1.08 -0.07 0.08 -0.33 0.00 0.00 177.00 175.60 3lmt s VAL 151 N -3.16 1.58 -0.15 3.83 1.01 -1.25 -5.03 120.40 117.24 3lmt s VAL 151 Ca 0.58 -1.20 -0.00 0.00 0.00 0.00 0.00 61.98 61.36 3lmt s VAL 151 Cb -0.13 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 3lmt s VAL 151 CO 0.54 -0.04 -0.14 -0.89 0.00 0.00 0.00 175.10 174.57 3lmt s THR 152 N 1.38 2.85 -0.07 3.92 2.01 -1.26 -1.41 115.64 123.05 3lmt s THR 152 Ca -0.05 -0.71 0.05 0.00 0.31 0.00 0.00 61.69 61.29 3lmt s THR 152 Cb -0.18 -2.21 -0.01 0.00 0.01 0.00 0.00 72.50 70.11 3lmt s THR 152 CO -0.06 0.51 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.50 3lmt s ILE 153 N 0.73 2.02 -0.06 1.82 -1.09 0.05 -4.96 121.20 119.73 3lmt s ILE 153 Ca -0.06 -1.03 0.05 0.00 -2.23 0.00 0.00 60.65 57.38 3lmt s ILE 153 Cb -0.15 -1.73 -0.02 0.00 -1.58 0.00 0.00 42.46 38.98 3lmt s ILE 153 CO 0.01 0.56 -0.21 -0.47 -1.23 0.00 0.00 174.94 173.60 3lmt s TYR 154 N 0.02 2.52 -0.04 3.97 6.14 -1.26 -0.44 117.35 128.27 3lmt s TYR 154 Ca -0.09 -0.52 0.00 0.00 0.64 0.00 0.00 57.07 57.10 3lmt s TYR 154 Cb -0.15 -1.61 0.03 0.00 0.42 0.00 0.00 41.96 40.64 3lmt s TYR 154 CO 0.05 -0.08 -0.01 0.42 0.64 0.00 0.00 175.55 176.57 3lmt s ILE 155 N -0.34 0.31 -0.27 3.14 1.01 -0.75 -5.01 121.20 119.29 3lmt s ILE 155 Ca 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 60.65 60.68 3lmt s ILE 155 Cb -0.12 -0.39 0.04 0.00 0.01 0.00 0.00 42.46 42.00 3lmt s ILE 155 CO 0.02 0.18 -0.04 -0.62 0.00 0.00 0.00 174.94 174.48 3lmt s ASP 156 N 1.06 4.61 0.16 3.58 -1.08 -1.26 -1.03 116.67 122.71 3lmt s ASP 156 Ca -0.09 -1.13 0.17 0.00 -0.52 0.00 0.00 52.55 50.99 3lmt s ASP 156 Cb -0.14 -1.67 0.78 0.00 -1.46 0.00 0.00 42.92 40.43 3lmt s ASP 156 CO -0.01 -0.20 1.54 0.35 0.52 0.00 0.00 175.17 177.36 3lmt n THR 157 N 4.62 1.07 -0.23 1.71 -2.24 0.13 -0.46 114.28 118.88 3lmt n THR 157 Ca -0.15 0.36 -0.05 0.00 -2.27 0.00 0.00 64.05 61.94 3lmt n THR 157 Cb 0.45 -1.26 0.17 0.00 -2.10 0.00 0.00 70.33 67.59 3lmt n THR 157 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3lmt n HIS 158 N -1.93 1.54 0.00 4.78 8.25 -1.26 -4.61 115.22 121.99 3lmt n HIS 158 Ca 0.02 -0.87 0.00 0.00 -0.26 0.00 0.00 57.72 56.60 3lmt n HIS 158 Cb 0.15 -0.51 0.00 0.00 1.12 0.00 0.00 29.99 30.75 3lmt n HIS 158 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3lmt n ASP 159 N -0.06 0.00 0.00 0.41 9.92 0.39 -5.13 116.55 122.08 3lmt n ASP 159 Ca 0.26 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.52 3lmt n ASP 159 Cb 1.01 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.49 3lmt n ASP 159 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95