#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 1.65 -0.01 3.17 0.52 0.17 -0.93 118.95 123.51 3lmt s ARG 2 Ca 0.00 -0.92 -0.02 0.00 -0.52 0.00 0.00 55.73 54.28 3lmt s ARG 2 Cb 0.00 -1.71 0.00 0.00 0.52 0.00 0.00 34.95 33.77 3lmt s ARG 2 CO 0.00 0.45 0.04 0.54 0.02 0.00 0.00 175.30 176.35 3lmt s VAL 3 N -0.68 0.01 -0.24 3.52 0.11 -0.38 0.15 120.40 122.88 3lmt s VAL 3 Ca 0.09 -0.05 -0.03 0.00 -2.93 0.00 0.00 61.98 59.06 3lmt s VAL 3 Cb -0.09 -0.09 0.01 0.00 -1.53 0.00 0.00 36.38 34.69 3lmt s VAL 3 CO 0.01 -0.03 -0.06 -0.69 -3.33 0.00 0.00 175.10 171.00 3lmt s VAL 4 N -0.07 3.07 -0.21 2.04 1.01 -0.57 -1.74 120.40 123.94 3lmt s VAL 4 Ca -0.01 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.10 3lmt s VAL 4 Cb -0.01 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 3lmt s VAL 4 CO 0.00 0.30 0.08 -0.63 0.00 0.00 0.00 175.10 174.86 3lmt s ILE 5 N 1.39 4.75 -0.10 2.22 1.01 0.66 -1.06 121.20 130.07 3lmt s ILE 5 Ca 0.03 -0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.65 3lmt s ILE 5 Cb -0.15 -3.18 -0.02 0.00 0.01 0.00 0.00 42.46 39.12 3lmt s ILE 5 CO -0.04 0.40 -0.14 -1.10 0.00 0.00 0.00 174.94 174.06 3lmt s GLN 6 N 0.86 3.09 0.05 2.79 -1.52 -0.31 -0.50 119.66 124.12 3lmt s GLN 6 Ca 0.04 -0.69 -0.30 0.00 -1.95 0.00 0.00 55.36 52.47 3lmt s GLN 6 Cb -0.14 -2.54 -0.04 0.00 -0.22 0.00 0.00 33.01 30.07 3lmt s GLN 6 CO 0.03 0.35 0.95 0.50 -0.25 0.00 0.00 175.29 176.87 3lmt s ARG 7 N -0.01 4.61 0.05 2.91 3.52 -0.56 -1.73 118.95 127.74 3lmt s ARG 7 Ca -0.04 1.40 0.01 0.00 -0.13 0.00 0.00 55.73 56.97 3lmt s ARG 7 Cb -0.14 -3.42 -0.03 0.00 -1.56 0.00 0.00 34.95 29.80 3lmt s ARG 7 CO 0.04 0.08 -0.05 0.14 -0.81 0.00 0.00 175.30 174.70 3lmt s VAL 8 N 0.51 0.38 -0.93 7.11 -7.23 -0.17 -1.08 120.40 118.99 3lmt s VAL 8 Ca 0.49 -1.32 0.25 0.00 -1.81 0.00 0.00 61.98 59.59 3lmt s VAL 8 Cb -0.22 -0.87 0.04 0.00 0.56 0.00 0.00 36.38 35.89 3lmt s VAL 8 CO 0.28 -0.62 1.44 0.29 -0.31 0.00 0.00 175.10 176.19 3lmt n LYS 9 N 0.98 0.06 0.00 4.82 5.02 -0.49 -1.80 118.16 126.76 3lmt n LYS 9 Ca -0.20 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 3lmt n LYS 9 Cb 0.57 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 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 1.47 1.59 3.42 0.72 0.00 -1.11 -2.16 105.19 109.11 3lmt n GLY 10 Ca 0.05 -0.85 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.32 -0.19 4.61 0.00 -0.07 -1.20 121.76 121.59 3lmt s ALA 11 Ca 0.00 1.65 0.01 0.00 0.00 0.00 0.00 51.96 53.62 3lmt s ALA 11 Cb 0.00 -0.98 0.04 0.00 0.00 0.00 0.00 23.12 22.19 3lmt s ALA 11 CO 0.00 -0.28 -0.09 0.42 0.00 0.00 0.00 175.76 175.81 3lmt s ILE 12 N 0.83 1.55 -0.18 0.00 1.01 0.48 -1.00 121.20 123.89 3lmt s ILE 12 Ca -0.04 -0.94 -0.09 0.00 0.00 0.00 0.00 60.65 59.58 3lmt s ILE 12 Cb -0.05 -1.64 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 3lmt s ILE 12 CO -0.07 0.16 0.11 -0.22 0.00 0.00 0.00 174.94 174.92 3lmt s LEU 13 N 1.44 4.09 0.05 2.97 0.20 -0.05 -1.31 118.68 126.07 3lmt s LEU 13 Ca -0.01 0.21 0.03 0.00 0.69 0.00 0.00 54.13 55.06 3lmt s LEU 13 Cb -0.16 -2.04 -0.03 0.00 -0.43 0.00 0.00 46.19 43.53 3lmt s LEU 13 CO -0.08 0.22 -0.10 -0.44 -0.29 0.00 0.00 176.35 175.66 3lmt s SER 14 N 0.13 1.16 0.31 3.68 0.01 0.12 -1.28 113.70 117.82 3lmt s SER 14 Ca 0.08 -0.58 0.03 0.00 1.31 0.00 0.00 55.95 56.78 3lmt s SER 14 Cb -0.12 0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.08 3lmt s SER 14 CO -0.00 -0.16 0.12 0.68 0.41 0.00 0.00 173.24 174.28 3lmt s VAL 15 N -1.40 0.54 0.45 3.43 -7.23 -0.13 0.95 120.40 117.02 3lmt s VAL 15 Ca -0.07 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 57.90 3lmt s VAL 15 Cb -0.10 -2.56 -0.10 0.00 0.56 0.00 0.00 36.38 34.18 3lmt s VAL 15 CO 0.01 0.00 0.97 -0.13 -0.31 0.00 0.00 175.10 175.64 3lmt s ARG 16 N -3.88 4.12 -0.77 4.82 1.81 -1.26 0.86 118.95 124.64 3lmt s ARG 16 Ca 0.35 1.15 -0.04 0.00 -1.72 0.00 0.00 55.73 55.47 3lmt s ARG 16 Cb 0.06 -2.16 0.00 0.00 -0.45 0.00 0.00 34.95 32.40 3lmt s ARG 16 CO 0.16 -0.13 0.67 1.63 -0.68 0.00 0.00 175.30 176.94 3lmt n LYS 17 N -0.80 -4.47 -1.93 3.54 4.76 -1.26 -4.80 118.16 113.20 3lmt n LYS 17 Ca 0.07 0.50 -0.42 0.00 -2.87 0.00 0.00 58.31 55.59 3lmt n LYS 17 Cb 0.54 -4.51 -0.02 0.00 -1.84 0.00 0.00 35.03 29.20 3lmt n LYS 17 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3lmt s LEU 27 N -4.69 4.37 0.01 -0.35 1.43 -1.24 -5.13 118.68 113.08 3lmt s LEU 27 Ca 0.23 2.70 0.00 0.00 -1.03 0.00 0.00 54.13 56.03 3lmt s LEU 27 Cb -0.10 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.50 3lmt s LEU 27 CO 0.43 -0.79 -0.02 -1.83 0.23 0.00 0.00 176.35 174.37 3lmt s GLU 28 N 0.24 0.15 -0.01 1.70 -1.05 0.25 -4.89 118.70 115.10 3lmt s GLU 28 Ca 0.65 -0.25 -0.30 0.00 -0.15 0.00 0.00 54.97 54.91 3lmt s GLU 28 Cb -0.44 0.00 -0.03 0.00 -0.44 0.00 0.00 34.13 33.23 3lmt s GLU 28 CO 0.39 -0.01 0.99 0.42 0.95 0.00 0.00 175.26 178.00 3lmt s ILE 29 N -0.57 4.83 0.00 1.83 1.01 -1.26 -0.95 121.20 126.08 3lmt s ILE 29 Ca -0.06 2.04 0.00 0.00 0.00 0.00 0.00 60.65 62.63 3lmt s ILE 29 Cb -0.04 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.13 3lmt s ILE 29 CO -0.00 0.14 0.00 2.30 0.00 0.00 0.00 174.94 177.38 3lmt n ILE 30 N 3.98 0.00 -3.88 2.92 -5.35 -0.40 -4.99 119.36 111.64 3lmt n ILE 30 Ca 0.06 -0.05 -0.11 0.00 -0.27 0.00 0.00 62.75 62.39 3lmt n ILE 30 Cb 0.51 0.41 -0.10 0.00 -1.74 0.00 0.00 39.64 38.72 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 -1.18 0.05 -0.27 7.28 0.01 -1.19 -5.03 113.70 113.38 3lmt s SER 31 Ca 0.00 -0.28 -0.21 0.00 1.31 0.00 0.00 55.95 56.77 3lmt s SER 31 Cb 0.00 0.22 0.07 0.00 0.21 0.00 0.00 66.02 66.52 3lmt s SER 31 CO 0.00 -0.41 0.70 -0.70 0.41 0.00 0.00 173.24 173.24 3lmt s GLU 32 N -1.72 0.78 0.09 12.44 2.12 -1.26 -0.88 118.70 130.27 3lmt s GLU 32 Ca -0.12 1.11 0.03 0.00 0.36 0.00 0.00 54.97 56.35 3lmt s GLU 32 Cb -0.06 0.28 -0.04 0.00 0.26 0.00 0.00 34.13 34.57 3lmt s GLU 32 CO 0.00 -0.12 -0.09 0.96 -0.54 0.00 0.00 175.26 175.46 3lmt s ILE 33 N 0.99 0.86 0.00 -3.70 -4.36 -0.17 -4.98 121.20 109.83 3lmt s ILE 33 Ca -0.05 -1.61 0.00 0.00 -0.26 0.00 0.00 60.65 58.73 3lmt s ILE 33 Cb -0.05 -1.31 0.00 0.00 1.25 0.00 0.00 42.46 42.35 3lmt s ILE 33 CO -0.09 -0.58 0.00 0.29 0.24 0.00 0.00 174.94 174.80 3lmt n LYS 34 N 0.59 0.73 -1.84 0.37 4.76 -1.26 -0.89 118.16 120.62 3lmt n LYS 34 Ca -0.16 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 54.87 3lmt n LYS 34 Cb 0.58 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.77 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 6.10 0.00 4.39 -0.87 -0.92 -2.76 114.94 119.88 3lmt s ASN 35 Ca 0.00 2.92 0.00 0.00 -1.57 0.00 0.00 52.86 54.21 3lmt s ASN 35 Cb 0.00 -2.66 0.00 0.00 -0.02 0.00 0.00 41.25 38.57 3lmt s ASN 35 CO 0.00 -1.02 0.00 0.61 -2.57 0.00 0.00 177.10 174.12 3lmt n GLY 36 N 0.56 -0.37 3.25 0.66 0.00 -0.74 -1.74 105.19 106.82 3lmt n GLY 36 Ca 0.03 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 45.03 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 2.12 -0.17 0.99 1.43 -0.46 -1.00 118.68 121.58 3lmt s LEU 37 Ca 0.00 -0.47 -0.07 0.00 -1.03 0.00 0.00 54.13 52.56 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 0.21 0.05 -0.51 0.23 0.00 0.00 176.35 176.33 3lmt s ILE 38 N -0.68 4.68 -0.23 -0.59 2.07 -0.71 -0.93 121.20 124.80 3lmt s ILE 38 Ca 0.08 -0.07 0.02 0.00 -1.41 0.00 0.00 60.65 59.27 3lmt s ILE 38 Cb -0.09 -3.10 0.05 0.00 0.13 0.00 0.00 42.46 39.45 3lmt s ILE 38 CO 0.01 0.47 -0.14 0.00 -1.91 0.00 0.00 174.94 173.37 3lmt s PHE 40 N 1.17 3.11 -0.25 0.00 0.08 -0.22 -1.15 117.98 120.71 3lmt s PHE 40 Ca -0.04 0.66 -0.06 0.00 0.12 0.00 0.00 56.93 57.60 3lmt s PHE 40 Cb -0.18 -3.48 -0.01 0.00 -0.57 0.00 0.00 43.02 38.79 3lmt s PHE 40 CO -0.08 -0.75 0.04 -1.17 -0.10 0.00 0.00 175.22 173.16 3lmt s LEU 41 N 3.22 3.35 -0.18 -0.37 0.20 0.98 -1.51 118.68 124.38 3lmt s LEU 41 Ca 0.34 -0.38 -0.04 0.00 0.69 0.00 0.00 54.13 54.74 3lmt s LEU 41 Cb -0.13 -1.85 -0.02 0.00 -0.43 0.00 0.00 46.19 43.76 3lmt s LEU 41 CO 0.17 -0.07 -0.04 -0.83 -0.29 0.00 0.00 176.35 175.30 3lmt s GLY 42 N 1.54 1.67 -0.24 7.98 0.00 0.12 0.11 107.32 118.50 3lmt s GLY 42 Ca 0.05 -0.98 -0.08 0.00 0.00 0.00 0.00 44.72 43.72 3lmt s GLY 42 CO 0.01 0.15 0.08 -0.42 0.00 0.00 0.00 173.10 172.93 3lmt s ILE 43 N 0.88 4.53 0.48 0.90 1.01 -1.26 -0.66 121.20 127.07 3lmt s ILE 43 Ca -0.01 -0.10 -0.19 0.00 0.00 0.00 0.00 60.65 60.35 3lmt s ILE 43 Cb -0.15 -3.11 -0.09 0.00 0.01 0.00 0.00 42.46 39.13 3lmt s ILE 43 CO 0.01 0.35 0.98 -2.28 0.00 0.00 0.00 174.94 174.00 3lmt s HIS 44 N 1.42 3.30 0.46 3.97 5.65 -1.26 -3.98 115.29 124.86 3lmt s HIS 44 Ca 0.06 1.54 0.17 0.00 0.25 0.00 0.00 55.06 57.08 3lmt s HIS 44 Cb -0.15 -2.86 1.13 0.00 -1.18 0.00 0.00 32.58 29.52 3lmt s HIS 44 CO 0.04 -0.38 2.04 1.57 -0.65 0.00 0.00 174.74 177.36 3lmt h LYS 45 N 1.36 0.00 -0.66 2.88 2.10 -1.37 -2.11 116.57 118.77 3lmt h LYS 45 Ca -0.48 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 57.95 3lmt h LYS 45 Cb 1.19 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.39 3lmt h LYS 45 CO 0.61 0.14 0.24 0.09 -2.00 0.00 0.00 179.45 178.53 3lmt n ASN 46 N -4.26 4.33 -4.76 7.07 3.02 -1.26 -4.97 115.26 114.43 3lmt n ASN 46 Ca -0.02 -3.31 -0.40 0.00 -0.03 0.00 0.00 54.58 50.81 3lmt n ASN 46 Cb 0.21 -0.72 -0.04 0.00 -0.61 0.00 0.00 39.78 38.62 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 -1.36 7.25 0.45 6.41 1.01 -0.79 -5.05 116.67 124.58 3lmt s ASP 47 Ca 0.53 2.28 0.07 0.00 0.71 0.00 0.00 52.55 56.13 3lmt s ASP 47 Cb 0.43 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.72 3lmt s ASP 47 CO 0.11 -0.17 0.30 0.42 0.21 0.00 0.00 175.17 176.04 3lmt s THR 48 N -1.07 2.22 0.51 -1.27 -4.23 -1.26 -5.01 115.64 105.52 3lmt s THR 48 Ca 0.45 -1.53 0.26 0.00 -1.18 0.00 0.00 61.69 59.69 3lmt s THR 48 Cb -0.32 -2.75 0.31 0.00 1.34 0.00 0.00 72.50 71.07 3lmt s THR 48 CO 0.41 0.00 2.16 -0.25 -0.54 0.00 0.00 174.62 176.40 3lmt h TRP 49 N 1.12 0.00 -0.81 3.99 2.91 -2.00 -1.94 115.95 119.22 3lmt h TRP 49 Ca -0.41 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.57 3lmt h TRP 49 Cb 1.27 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.89 3lmt h TRP 49 CO 0.71 0.06 0.34 0.93 -1.03 0.00 0.00 178.44 179.44 3lmt h GLU 50 N 0.00 1.20 -0.39 2.65 3.07 -1.99 -1.62 114.58 117.50 3lmt h GLU 50 Ca -0.00 -0.21 -0.01 0.00 -0.50 0.00 0.00 59.36 58.64 3lmt h GLU 50 Cb 0.15 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 3lmt h GLU 50 CO 0.01 0.96 0.20 -0.44 -1.40 0.00 0.00 179.01 178.33 3lmt h ASP 51 N 1.17 0.50 -0.26 1.42 3.32 -1.75 -2.02 116.42 118.81 3lmt h ASP 51 Ca 0.27 -0.11 0.04 0.00 0.02 0.00 0.00 57.03 57.25 3lmt h ASP 51 Cb 0.20 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 3lmt h ASP 51 CO -0.02 0.47 0.00 0.00 -1.72 0.00 0.00 179.24 177.97 3lmt h ALA 52 N 1.05 0.23 -0.89 3.45 0.00 -1.39 -2.54 119.26 119.17 3lmt h ALA 52 Ca 0.13 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3lmt h ALA 52 Cb 0.10 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3lmt h ALA 52 CO -0.02 -0.41 0.51 -0.07 0.00 0.00 0.00 179.25 179.26 3lmt h LEU 53 N 0.08 1.09 -0.00 0.00 3.38 -1.02 -0.28 115.31 118.55 3lmt h LEU 53 Ca 0.12 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3lmt h LEU 53 Cb 0.15 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3lmt h LEU 53 CO -0.20 0.85 -0.01 0.22 0.09 0.00 0.00 178.44 179.39 3lmt h TYR 54 N 1.23 -0.03 -0.06 1.13 3.20 -1.15 0.91 116.97 122.20 3lmt h TYR 54 Ca 0.32 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.22 3lmt h TYR 54 Cb -0.02 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.23 3lmt h TYR 54 CO 0.01 -0.02 -0.16 0.82 -1.64 0.00 0.00 178.16 177.17 3lmt h ILE 55 N -0.02 0.59 -0.36 1.81 1.08 -1.00 0.63 117.51 120.23 3lmt h ILE 55 Ca 0.01 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.50 3lmt h ILE 55 Cb 0.03 0.59 -0.03 0.00 -3.07 0.00 0.00 36.82 34.34 3lmt h ILE 55 CO -0.01 0.00 0.18 0.40 -0.69 0.00 0.00 178.15 178.02 3lmt h ILE 56 N -0.23 0.97 -0.22 -0.67 2.04 -0.88 0.11 117.51 118.64 3lmt h ILE 56 Ca 0.07 -0.13 0.02 0.00 1.00 0.00 0.00 64.86 65.83 3lmt h ILE 56 Cb 0.34 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 3lmt h ILE 56 CO -0.20 0.07 0.07 -0.09 0.00 0.00 0.00 178.15 178.00 3lmt h ARG 57 N 0.37 0.17 -0.06 2.37 2.43 -0.47 -1.24 114.38 117.95 3lmt h ARG 57 Ca 0.15 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3lmt h ARG 57 Cb 0.07 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.58 3lmt h ARG 57 CO -0.11 0.11 0.03 0.87 -1.51 0.00 0.00 179.97 179.36 3lmt h LYS 58 N 0.18 0.09 -0.95 0.20 1.79 -0.51 -1.76 116.57 115.60 3lmt h LYS 58 Ca 0.09 -0.01 0.13 0.00 -2.18 0.00 0.00 60.65 58.68 3lmt h LYS 58 Cb 0.06 -0.02 -0.08 0.00 -1.58 0.00 0.00 32.23 30.62 3lmt h LYS 58 CO -0.10 0.15 0.60 0.00 -1.08 0.00 0.00 179.45 179.03 3lmt h LEU 60 N 0.86 0.00 0.00 0.00 3.38 -0.83 -3.38 115.31 115.33 3lmt h LEU 60 Ca 0.47 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3lmt h LEU 60 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3lmt h LEU 60 CO -0.24 0.05 -0.26 0.59 0.09 0.00 0.00 178.44 178.67 3lmt n ASN 61 N -2.37 1.31 -4.71 -0.43 3.02 -0.69 -4.13 115.26 107.26 3lmt n ASN 61 Ca 0.04 -0.21 -0.43 0.00 -0.03 0.00 0.00 54.58 53.95 3lmt n ASN 61 Cb 0.46 0.67 -0.03 0.00 -0.61 0.00 0.00 39.78 40.28 3lmt n ASN 61 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3lmt n LEU 62 N -0.81 3.82 -4.46 3.41 4.77 -0.69 -4.57 117.00 118.47 3lmt n LEU 62 Ca 0.00 1.07 -0.44 0.00 -0.03 0.00 0.00 56.01 56.61 3lmt n LEU 62 Cb 0.00 -1.54 -0.02 0.00 -2.33 0.00 0.00 43.42 39.53 3lmt n LEU 62 CO 0.00 0.08 1.13 -0.13 -1.33 0.00 0.00 177.39 177.13 3lmt s ARG 63 N 1.01 3.71 0.00 3.23 0.52 -1.26 -4.12 118.95 122.04 3lmt s ARG 63 Ca 0.75 -1.89 0.24 0.00 -0.52 0.00 0.00 55.73 54.31 3lmt s ARG 63 Cb -0.54 -5.00 0.15 0.00 0.52 0.00 0.00 34.95 30.08 3lmt s ARG 63 CO 0.34 -1.82 1.22 1.28 0.02 0.00 0.00 175.30 176.35 3lmt n LEU 64 N 6.58 2.74 -4.47 2.53 4.77 -0.57 -3.42 117.00 125.16 3lmt n LEU 64 Ca 0.28 -0.93 -0.32 0.00 -0.03 0.00 0.00 56.01 55.00 3lmt n LEU 64 Cb 0.48 -0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.44 3lmt n LEU 64 CO 0.55 0.47 -0.46 0.26 -1.33 0.00 0.00 177.39 176.87 3lmt s TRP 65 N -2.12 2.67 0.60 -1.77 0.51 -0.79 -4.78 118.94 113.26 3lmt s TRP 65 Ca 0.26 -0.18 -0.19 0.00 -2.12 0.00 0.00 56.10 53.87 3lmt s TRP 65 Cb 0.20 -1.59 -0.03 0.00 -0.81 0.00 0.00 33.47 31.23 3lmt s TRP 65 CO 0.37 0.20 1.24 -0.80 -0.51 0.00 0.00 176.95 177.45 3lmt s ASN 66 N -0.89 5.05 -0.53 2.95 -0.87 -1.26 -1.20 114.94 118.18 3lmt s ASN 66 Ca 0.12 2.47 0.02 0.00 -1.57 0.00 0.00 52.86 53.91 3lmt s ASN 66 Cb -0.11 -2.61 0.14 0.00 -0.02 0.00 0.00 41.25 38.65 3lmt s ASN 66 CO 0.02 -1.69 0.29 0.21 -2.57 0.00 0.00 177.10 173.36 3lmt s ASN 67 N -1.50 4.58 1.43 -1.22 2.47 0.77 -4.70 114.94 116.77 3lmt s ASN 67 Ca 0.78 -2.91 0.00 0.00 0.42 0.00 0.00 52.86 51.15 3lmt s ASN 67 Cb -0.33 -1.69 0.00 0.00 -1.45 0.00 0.00 41.25 37.78 3lmt s ASN 67 CO 0.36 -0.28 0.00 0.47 -3.72 0.00 0.00 177.10 173.93 3lmt n ASP 68 N 3.29 0.00 -0.33 -4.21 8.00 -1.26 -1.95 116.55 120.09 3lmt n ASP 68 Ca 0.06 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.68 3lmt n ASP 68 Cb 0.34 0.00 0.25 0.00 -0.02 0.00 0.00 41.12 41.69 3lmt n ASP 68 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3lmt n ASN 69 N 9.97 1.37 -4.69 -2.24 6.94 -1.26 -4.92 115.26 120.43 3lmt n ASN 69 Ca 0.00 -1.11 -0.42 0.00 -0.02 0.00 0.00 54.58 53.03 3lmt n ASN 69 Cb 0.00 0.26 -0.03 0.00 -2.36 0.00 0.00 39.78 37.65 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 -2.49 4.44 0.16 -3.83 1.02 -0.82 -5.04 119.74 113.17 3lmt s LYS 70 Ca 0.22 1.48 -0.05 0.00 0.02 0.00 0.00 55.97 57.64 3lmt s LYS 70 Cb 0.19 -3.51 -0.06 0.00 -0.52 0.00 0.00 37.83 33.93 3lmt s LYS 70 CO 0.54 -0.28 0.40 0.95 -0.92 0.00 0.00 175.35 176.04 3lmt s THR 71 N 1.76 5.13 -1.16 2.17 -4.23 -1.26 -0.16 115.64 117.88 3lmt s THR 71 Ca 0.51 0.09 -0.13 0.00 -1.18 0.00 0.00 61.69 60.98 3lmt s THR 71 Cb -0.21 -3.62 -0.02 0.00 1.34 0.00 0.00 72.50 69.99 3lmt s THR 71 CO 0.22 0.02 0.78 0.79 -0.54 0.00 0.00 174.62 175.89 3lmt n TRP 72 N 0.03 -2.01 0.00 3.99 7.02 -1.25 -4.91 117.44 120.31 3lmt n TRP 72 Ca -0.02 0.61 0.00 0.00 -1.02 0.00 0.00 57.50 57.07 3lmt n TRP 72 Cb 0.52 -3.76 0.00 0.00 -2.42 0.00 0.00 31.31 25.65 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 -2.87 1.61 -4.65 -0.99 2.03 -0.68 -4.79 116.55 106.21 3lmt n ASP 73 Ca -0.13 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.83 3lmt n ASP 73 Cb 0.62 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.92 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 -1.99 2.91 0.70 -0.67 -0.14 -0.34 -4.83 119.74 115.38 3lmt s LYS 74 Ca 0.00 -0.45 0.01 0.00 -1.36 0.00 0.00 55.97 54.17 3lmt s LYS 74 Cb 0.00 -2.73 0.14 0.00 -1.68 0.00 0.00 37.83 33.55 3lmt s LYS 74 CO 0.00 0.69 0.96 0.27 -0.76 0.00 0.00 175.35 176.51 3lmt n ASN 75 N 2.16 1.46 0.07 2.83 0.23 -1.26 -1.52 115.26 119.23 3lmt n ASN 75 Ca -0.18 -2.19 -0.03 0.00 -0.53 0.00 0.00 54.58 51.65 3lmt n ASN 75 Cb 0.53 -0.61 0.21 0.00 -2.08 0.00 0.00 39.78 37.84 3lmt n ASN 75 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 3lmt h VAL 76 N -0.50 1.30 -0.25 3.53 3.04 -1.76 -2.84 116.25 118.77 3lmt h VAL 76 Ca -0.32 -1.48 -0.10 0.00 -1.01 0.00 0.00 66.70 63.79 3lmt h VAL 76 Cb 1.22 1.62 -0.00 0.00 -2.01 0.00 0.00 31.29 32.11 3lmt h VAL 76 CO 0.36 0.45 -0.24 0.11 -1.01 0.00 0.00 177.57 177.23 3lmt h LYS 77 N 0.26 0.61 -0.45 4.17 1.57 -1.87 -0.08 116.57 120.78 3lmt h LYS 77 Ca 0.03 -0.32 0.09 0.00 -1.87 0.00 0.00 60.65 58.58 3lmt h LYS 77 Cb 0.80 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.03 3lmt h LYS 77 CO 0.06 0.92 -0.13 -0.44 -0.57 0.00 0.00 179.45 179.29 3lmt h ASP 78 N 0.33 -0.49 0.71 0.86 3.32 -1.86 -1.31 116.42 117.98 3lmt h ASP 78 Ca 0.04 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3lmt h ASP 78 Cb 0.80 0.30 0.00 0.00 0.22 0.00 0.00 39.33 40.65 3lmt h ASP 78 CO 0.06 -0.17 0.00 0.18 -1.72 0.00 0.00 179.24 177.59 3lmt n LEU 79 N -5.35 0.00 -1.42 1.55 4.77 -1.09 -4.87 117.00 110.60 3lmt n LEU 79 Ca 0.03 0.41 -0.13 0.00 -0.03 0.00 0.00 56.01 56.30 3lmt n LEU 79 Cb 0.26 -0.41 -0.01 0.00 -2.33 0.00 0.00 43.42 40.93 3lmt n LEU 79 CO 0.12 -0.06 -0.16 -3.20 -1.33 0.00 0.00 177.39 172.76 3lmt n ASN 80 N -1.41 -4.05 -4.49 -1.43 5.15 -0.50 -5.01 115.26 103.52 3lmt n ASN 80 Ca 0.09 0.01 -0.28 0.00 -0.60 0.00 0.00 54.58 53.80 3lmt n ASN 80 Cb 0.26 -3.21 0.14 0.00 -0.53 0.00 0.00 39.78 36.44 3lmt n ASN 80 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3lmt s TYR 81 N -2.63 2.00 0.32 1.20 2.02 -0.09 -5.03 117.35 115.15 3lmt s TYR 81 Ca 0.00 0.26 0.08 0.00 -0.37 0.00 0.00 57.07 57.04 3lmt s TYR 81 Cb 0.00 -3.63 -0.03 0.00 -0.40 0.00 0.00 41.96 37.89 3lmt s TYR 81 CO 0.00 -2.12 0.24 -1.21 -1.57 0.00 0.00 175.55 170.89 3lmt s GLU 82 N -5.57 2.67 -0.02 -0.62 2.02 -0.71 -4.79 118.70 111.67 3lmt s GLU 82 Ca 0.68 -1.31 0.04 0.00 0.02 0.00 0.00 54.97 54.40 3lmt s GLU 82 Cb -0.06 -2.42 -0.01 0.00 0.10 0.00 0.00 34.13 31.74 3lmt s GLU 82 CO 0.49 0.15 -0.15 -0.51 0.02 0.00 0.00 175.26 175.27 3lmt s LEU 83 N -3.93 1.95 -0.26 1.80 1.02 -0.04 -1.35 118.68 117.86 3lmt s LEU 83 Ca 0.39 -0.28 -0.02 0.00 0.02 0.00 0.00 54.13 54.24 3lmt s LEU 83 Cb -0.05 -0.80 0.03 0.00 0.02 0.00 0.00 46.19 45.38 3lmt s LEU 83 CO 0.25 0.15 -0.05 -0.22 0.02 0.00 0.00 176.35 176.51 3lmt s LEU 84 N -0.13 3.33 -0.26 1.79 2.96 -0.11 -1.08 118.68 125.18 3lmt s LEU 84 Ca 0.01 -0.94 -0.09 0.00 -0.22 0.00 0.00 54.13 52.89 3lmt s LEU 84 Cb -0.08 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 3lmt s LEU 84 CO 0.00 -0.15 0.12 -0.63 -1.32 0.00 0.00 176.35 174.37 3lmt s ILE 85 N 1.32 4.75 -0.14 6.68 -1.09 -0.49 -0.34 121.20 131.88 3lmt s ILE 85 Ca -0.01 -0.02 0.02 0.00 -2.23 0.00 0.00 60.65 58.41 3lmt s ILE 85 Cb -0.17 -3.24 0.01 0.00 -1.58 0.00 0.00 42.46 37.48 3lmt s ILE 85 CO -0.04 0.31 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.08 3lmt s VAL 86 N 1.63 2.22 0.31 2.92 1.01 -0.30 -3.42 120.40 124.77 3lmt s VAL 86 Ca 0.07 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 60.82 3lmt s VAL 86 Cb -0.15 -1.89 -0.10 0.00 0.00 0.00 0.00 36.38 34.23 3lmt s VAL 86 CO 0.07 0.54 1.33 -0.94 0.00 0.00 0.00 175.10 176.09 3lmt s SER 87 N 0.73 6.76 -0.42 3.32 1.04 -1.26 -0.01 113.70 123.86 3lmt s SER 87 Ca -0.08 2.67 0.04 0.00 0.48 0.00 0.00 55.95 59.06 3lmt s SER 87 Cb -0.16 -2.64 0.17 0.00 0.10 0.00 0.00 66.02 63.49 3lmt s SER 87 CO 0.00 -0.56 0.44 -1.58 0.98 0.00 0.00 173.24 172.52 3lmt s GLN 88 N -1.48 0.86 0.55 4.02 2.00 0.29 -4.75 119.66 121.15 3lmt s GLN 88 Ca 0.51 -1.50 0.27 0.00 -2.00 0.00 0.00 55.36 52.64 3lmt s GLN 88 Cb -0.40 -0.90 1.58 0.00 0.80 0.00 0.00 33.01 34.10 3lmt s GLN 88 CO 0.51 -1.32 2.15 0.27 -0.50 0.00 0.00 175.29 176.40 3lmt h PHE 89 N 5.92 0.00 0.00 1.67 -5.15 -1.95 -2.66 116.94 114.77 3lmt h PHE 89 Ca 0.15 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.92 3lmt h PHE 89 Cb 1.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.17 3lmt h PHE 89 CO 0.25 0.07 0.00 1.79 -2.00 0.00 0.00 178.31 178.41 3lmt h THR 90 N 0.00 0.00 0.00 0.88 1.35 -1.94 -1.69 112.91 111.51 3lmt h THR 90 Ca -0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 3lmt h THR 90 Cb 0.17 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 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 -2.82 0.00 -0.77 3.87 4.77 -1.00 -0.45 117.00 120.60 3lmt n LEU 91 Ca -0.02 0.50 0.09 0.00 -0.03 0.00 0.00 56.01 56.55 3lmt n LEU 91 Cb 0.10 -0.50 0.11 0.00 -2.33 0.00 0.00 43.42 40.80 3lmt n LEU 91 CO 0.18 -0.44 0.57 0.49 -1.33 0.00 0.00 177.39 176.86 3lmt n PHE 92 N -1.50 0.14 -1.57 -1.77 3.72 -0.63 -5.00 117.46 110.84 3lmt n PHE 92 Ca 0.01 -0.09 -0.53 0.00 -0.05 0.00 0.00 57.45 56.78 3lmt n PHE 92 Cb 0.04 -0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.52 3lmt n PHE 92 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3lmt n GLY 93 N 1.03 0.32 3.48 1.37 0.00 0.41 -4.58 105.19 107.22 3lmt n GLY 93 Ca 0.12 0.72 -0.43 0.00 0.00 0.00 0.00 46.02 46.42 3lmt n GLY 93 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3lmt s ASN 94 N 0.41 6.26 -0.05 1.61 3.84 -0.42 -4.84 114.94 121.76 3lmt s ASN 94 Ca 0.86 -0.63 0.15 0.00 0.21 0.00 0.00 52.86 53.45 3lmt s ASN 94 Cb -1.02 -2.29 0.48 0.00 -0.55 0.00 0.00 41.25 37.87 3lmt s ASN 94 CO 0.49 -0.79 1.41 0.35 -2.79 0.00 0.00 177.10 175.76 3lmt n THR 95 N 5.69 1.33 0.19 -5.21 -2.24 -1.26 -2.22 114.28 110.56 3lmt n THR 95 Ca -0.05 -1.16 0.04 0.00 -2.27 0.00 0.00 64.05 60.62 3lmt n THR 95 Cb 0.47 0.33 0.39 0.00 -2.10 0.00 0.00 70.33 69.42 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 2.85 0.00 -3.15 -0.78 6.56 -1.93 -3.38 116.57 116.73 3lmt h LYS 96 Ca 0.00 0.00 -0.58 0.00 -1.06 0.00 0.00 60.65 59.01 3lmt h LYS 96 Cb 1.02 0.00 -0.40 0.00 -0.57 0.00 0.00 32.23 32.28 3lmt h LYS 96 CO 0.07 0.35 -0.77 -1.59 -2.06 0.00 0.00 179.45 175.46 3lmt s LYS 97 N -4.05 0.72 0.00 3.15 -2.85 -1.26 -5.08 119.74 110.37 3lmt s LYS 97 Ca -0.02 -1.21 0.00 0.00 -1.00 0.00 0.00 55.97 53.73 3lmt s LYS 97 Cb 0.13 -1.81 0.00 0.00 -2.06 0.00 0.00 37.83 34.09 3lmt s LYS 97 CO 0.70 -1.06 0.00 0.41 0.10 0.00 0.00 175.35 175.50 3lmt n GLY 98 N 4.52 0.08 1.27 0.59 0.00 -1.26 -4.71 105.19 105.68 3lmt n GLY 98 Ca 0.02 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.93 3.33 -4.23 1.61 4.13 -1.26 -4.64 115.26 113.27 3lmt n ASN 99 Ca 0.00 -2.52 -0.33 0.00 1.68 0.00 0.00 54.58 53.40 3lmt n ASN 99 Cb 0.00 -0.61 -0.15 0.00 -1.54 0.00 0.00 39.78 37.48 3lmt n ASN 99 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 3lmt s LYS 100 N -1.81 3.17 0.40 3.52 0.00 -1.26 -5.12 119.74 118.64 3lmt s LYS 100 Ca 0.27 -0.76 -0.24 0.00 0.00 0.00 0.00 55.97 55.24 3lmt s LYS 100 Cb 0.21 -2.63 -0.09 0.00 0.00 0.00 0.00 37.83 35.32 3lmt s LYS 100 CO 0.07 -0.04 1.03 -2.14 0.00 0.00 0.00 175.35 174.27 3lmt s PRO 101 N 0.95 4.19 -0.15 1.78 0.02 -1.26 -4.84 135.00 135.68 3lmt s PRO 101 Ca -0.03 1.46 0.01 0.00 0.02 0.00 0.00 61.00 62.46 3lmt s PRO 101 Cb -0.15 -2.52 0.02 0.00 0.02 0.00 0.00 34.50 31.87 3lmt s PRO 101 CO -0.03 -0.11 -0.18 0.34 -0.33 0.00 0.00 177.00 176.70 3lmt s ASP 102 N -1.63 2.90 -0.44 2.53 2.15 -0.94 -4.92 116.67 116.32 3lmt s ASP 102 Ca 0.58 -0.56 -0.09 0.00 0.43 0.00 0.00 52.55 52.90 3lmt s ASP 102 Cb -0.20 -1.33 0.10 0.00 -0.30 0.00 0.00 42.92 41.18 3lmt s ASP 102 CO 0.26 -0.00 0.29 -0.36 -0.17 0.00 0.00 175.17 175.19 3lmt s PHE 103 N 1.24 3.38 0.00 -5.34 0.08 -1.26 -1.30 117.98 114.78 3lmt s PHE 103 Ca 0.02 -1.68 0.00 0.00 0.12 0.00 0.00 56.93 55.38 3lmt s PHE 103 Cb -0.14 -3.18 0.00 0.00 -0.57 0.00 0.00 43.02 39.13 3lmt s PHE 103 CO -0.09 -0.91 0.00 1.58 -0.10 0.00 0.00 175.22 175.70 3lmt n HIS 104 N 4.91 0.00 -0.53 0.36 -0.00 -1.26 -4.85 115.22 113.84 3lmt n HIS 104 Ca -0.09 0.00 0.42 0.00 -0.00 0.00 0.00 57.72 58.05 3lmt n HIS 104 Cb 0.42 0.00 0.68 0.00 -0.00 0.00 0.00 29.99 31.09 3lmt n HIS 104 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3lmt n LEU 105 N -2.04 0.10 0.00 0.27 4.32 -1.26 -4.28 117.00 114.10 3lmt n LEU 105 Ca 0.00 1.08 -0.16 0.00 -0.02 0.00 0.00 56.01 56.91 3lmt n LEU 105 Cb 0.32 -0.54 0.14 0.00 -1.62 0.00 0.00 43.42 41.73 3lmt n LEU 105 CO 0.00 -1.14 0.30 0.00 -1.22 0.00 0.00 177.39 175.33 3lmt n ALA 106 N -2.68 -2.13 -4.30 -1.18 0.00 -1.26 -1.28 120.51 107.68 3lmt n ALA 106 Ca 0.38 -0.88 -0.24 0.00 0.00 0.00 0.00 53.44 52.71 3lmt n ALA 106 Cb 1.62 -0.07 -0.07 0.00 0.00 0.00 0.00 19.45 20.93 3lmt n ALA 106 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3lmt n LYS 107 N -3.52 0.46 -2.37 0.00 2.85 -1.26 -4.27 118.16 110.05 3lmt n LYS 107 Ca 0.08 -3.28 -0.38 0.00 -1.05 0.00 0.00 58.31 53.68 3lmt n LYS 107 Cb 0.32 2.36 -0.03 0.00 -0.65 0.00 0.00 35.03 37.03 3lmt n LYS 107 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 3lmt s GLU 108 N -3.39 3.08 0.31 -1.58 2.12 -1.26 -4.50 118.70 113.48 3lmt s GLU 108 Ca 0.32 -0.30 0.20 0.00 0.36 0.00 0.00 54.97 55.56 3lmt s GLU 108 Cb 0.02 -4.66 0.70 0.00 0.26 0.00 0.00 34.13 30.44 3lmt s GLU 108 CO 0.23 -2.47 0.75 -2.30 -0.54 0.00 0.00 175.26 170.93 3lmt n PRO 109 N 9.13 0.00 -0.04 4.30 -0.02 -1.26 0.65 135.00 147.76 3lmt n PRO 109 Ca 0.20 0.56 0.01 0.00 -2.02 0.00 0.00 63.50 62.24 3lmt n PRO 109 Cb 0.50 -1.33 0.31 0.00 -0.02 0.00 0.00 33.50 32.96 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 0.57 0.10 2.55 4.21 -2.00 -2.43 115.58 118.57 3lmt h ASN 110 Ca 0.38 -0.07 -0.29 0.00 1.21 0.00 0.00 56.30 57.53 3lmt h ASN 110 Cb 1.78 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 38.82 3lmt h ASN 110 CO -0.00 0.53 -1.54 1.05 -1.29 0.00 0.00 177.43 176.18 3lmt h GLU 111 N 0.62 0.22 -0.24 0.81 4.11 1.96 -3.30 114.58 118.76 3lmt h GLU 111 Ca 0.15 -0.38 0.03 0.00 0.07 0.00 0.00 59.36 59.23 3lmt h GLU 111 Cb 0.16 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 3lmt h GLU 111 CO -0.01 1.18 0.05 0.00 0.07 0.00 0.00 179.01 180.30 3lmt h ALA 112 N -0.08 0.25 -0.58 1.06 0.00 -1.60 -2.17 119.26 116.15 3lmt h ALA 112 Ca -0.34 0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.67 3lmt h ALA 112 Cb 1.77 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.56 3lmt h ALA 112 CO 0.03 -0.37 0.29 -0.07 0.00 0.00 0.00 179.25 179.14 3lmt h LEU 113 N 0.15 0.41 0.40 0.00 -0.00 -1.60 0.33 115.31 115.00 3lmt h LEU 113 Ca 0.11 0.04 -0.02 0.00 -0.00 0.00 0.00 57.88 58.01 3lmt h LEU 113 Cb 0.10 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 40.73 3lmt h LEU 113 CO -0.14 0.27 -0.19 0.16 -0.00 0.00 0.00 178.44 178.54 3lmt h ILE 114 N 0.55 0.61 -0.30 1.22 -0.00 -1.59 -0.37 117.51 117.64 3lmt h ILE 114 Ca 0.26 -0.20 0.07 0.00 -0.00 0.00 0.00 64.86 64.99 3lmt h ILE 114 Cb 0.19 0.71 -0.08 0.00 -0.00 0.00 0.00 36.82 37.64 3lmt h ILE 114 CO -0.19 0.04 -0.26 0.15 -0.00 0.00 0.00 178.15 177.89 3lmt h PHE 115 N -0.65 -0.70 -0.57 0.16 3.57 -1.06 -1.17 116.94 116.52 3lmt h PHE 115 Ca -0.05 0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.58 3lmt h PHE 115 Cb 0.47 0.35 -0.07 0.00 2.79 0.00 0.00 35.95 39.50 3lmt h PHE 115 CO -0.02 -0.34 0.20 -0.92 -2.23 0.00 0.00 178.31 175.00 3lmt h TYR 116 N -0.24 0.34 -0.36 0.41 3.20 -0.22 -0.41 116.97 119.69 3lmt h TYR 116 Ca 0.15 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 3lmt h TYR 116 Cb 0.48 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 3lmt h TYR 116 CO -0.44 0.08 0.11 -0.91 -1.64 0.00 0.00 178.16 175.36 3lmt h ASN 117 N 0.37 0.47 -0.77 -2.11 2.35 -0.41 -1.26 115.58 114.22 3lmt h ASN 117 Ca 0.28 -0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.93 3lmt h ASN 117 Cb 0.35 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.56 3lmt h ASN 117 CO -0.30 0.46 0.28 0.11 -1.65 0.00 0.00 177.43 176.33 3lmt h LYS 118 N 0.51 1.18 -0.19 0.81 6.56 0.09 -2.11 116.57 123.42 3lmt h LYS 118 Ca 0.12 -0.23 -0.01 0.00 -1.06 0.00 0.00 60.65 59.47 3lmt h LYS 118 Cb 0.17 -0.18 -0.01 0.00 -0.57 0.00 0.00 32.23 31.64 3lmt h LYS 118 CO -0.01 0.98 0.08 0.82 -2.06 0.00 0.00 179.45 179.26 3lmt h ILE 119 N 1.14 1.16 -0.89 1.86 2.04 -0.47 -1.71 117.51 120.64 3lmt h ILE 119 Ca 0.25 -0.49 0.03 0.00 1.00 0.00 0.00 64.86 65.66 3lmt h ILE 119 Cb 0.26 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 3lmt h ILE 119 CO -0.01 0.16 0.59 0.40 0.00 0.00 0.00 178.15 179.28 3lmt h ILE 120 N 0.16 1.17 -0.49 -0.67 1.08 -1.07 -0.80 117.51 116.89 3lmt h ILE 120 Ca 0.06 -0.39 -0.04 0.00 -0.39 0.00 0.00 64.86 64.10 3lmt h ILE 120 Cb 0.17 -0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 33.84 3lmt h ILE 120 CO -0.01 0.21 0.14 0.44 -0.69 0.00 0.00 178.15 178.24 3lmt h ASP 121 N 1.14 0.72 -0.60 1.72 3.32 -1.06 -2.44 116.42 119.22 3lmt h ASP 121 Ca 0.35 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 3lmt h ASP 121 Cb -0.02 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3lmt h ASP 121 CO -0.10 0.75 0.03 -0.08 -1.72 0.00 0.00 179.24 178.12 3lmt h GLU 122 N 0.66 1.04 -0.58 3.56 4.57 -0.58 0.97 114.58 124.21 3lmt h GLU 122 Ca 0.16 -0.32 0.12 0.00 -1.18 0.00 0.00 59.36 58.14 3lmt h GLU 122 Cb 0.29 -0.10 -0.10 0.00 -0.16 0.00 0.00 28.75 28.68 3lmt h GLU 122 CO -0.00 1.01 -0.01 0.74 -1.18 0.00 0.00 179.01 179.57 3lmt h PHE 123 N 0.93 -0.05 -0.39 0.92 0.04 -1.04 0.60 116.94 117.95 3lmt h PHE 123 Ca 0.17 0.04 -0.12 0.00 2.80 0.00 0.00 57.97 60.87 3lmt h PHE 123 Cb 0.52 0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.77 3lmt h PHE 123 CO 0.04 -0.15 -0.22 0.87 -0.60 0.00 0.00 178.31 178.25 3lmt h LYS 124 N 0.11 0.84 -0.36 1.51 1.57 -0.88 -0.84 116.57 118.52 3lmt h LYS 124 Ca 0.30 -0.38 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 3lmt h LYS 124 Cb 0.48 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 3lmt h LYS 124 CO -0.50 1.02 0.09 -0.22 -0.57 0.00 0.00 179.45 179.27 3lmt h LYS 125 N 0.65 0.53 0.00 3.15 3.64 -0.47 -2.48 116.57 121.58 3lmt h LYS 125 Ca 0.08 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3lmt h LYS 125 Cb 0.78 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 3lmt h LYS 125 CO 0.06 0.49 -0.53 1.04 -2.27 0.00 0.00 179.45 178.24 3lmt n GLN 126 N -4.35 0.09 0.00 1.90 6.02 0.17 -4.81 117.38 116.41 3lmt n GLN 126 Ca 0.02 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 3lmt n GLN 126 Cb 0.18 -1.55 0.00 0.00 1.02 0.00 0.00 30.24 29.89 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 -1.68 0.00 -3.63 1.08 9.36 -0.34 -5.07 117.16 116.87 3lmt n TYR 127 Ca 0.05 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.22 3lmt n TYR 127 Cb 0.37 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.01 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 -0.82 0.55 2.98 3.84 -0.95 -4.98 114.94 116.56 3lmt s ASN 128 Ca 0.00 1.28 0.32 0.00 0.21 0.00 0.00 52.86 54.67 3lmt s ASN 128 Cb 0.00 1.40 1.48 0.00 -0.55 0.00 0.00 41.25 43.58 3lmt s ASN 128 CO 0.00 -0.20 1.85 0.44 -2.79 0.00 0.00 177.10 176.40 3lmt h ASP 129 N 6.79 0.00 0.10 -4.21 5.19 -1.92 -1.38 116.42 120.99 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 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 3lmt h ASP 129 CO 0.17 0.00 -0.41 0.47 -3.12 0.00 0.00 179.24 176.35 3lmt n ASP 130 N -4.09 1.55 -0.53 6.45 9.92 -1.26 -4.01 116.55 124.58 3lmt n ASP 130 Ca 0.18 -1.21 0.11 0.00 -0.53 0.00 0.00 54.79 53.34 3lmt n ASP 130 Cb 0.97 0.35 0.05 0.00 -0.64 0.00 0.00 41.12 41.85 3lmt n ASP 130 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3lmt n LYS 131 N -0.37 1.31 -3.90 -1.24 4.76 -0.52 -4.87 118.16 113.33 3lmt n LYS 131 Ca 0.10 -1.06 -0.35 0.00 -2.87 0.00 0.00 58.31 54.13 3lmt n LYS 131 Cb 0.41 -1.48 -0.14 0.00 -1.84 0.00 0.00 35.03 31.99 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 -2.42 3.09 0.29 -0.18 -1.09 -1.25 -0.86 121.20 118.77 3lmt s ILE 132 Ca 0.20 -1.21 0.08 0.00 -2.23 0.00 0.00 60.65 57.49 3lmt s ILE 132 Cb 0.18 -2.70 -0.04 0.00 -1.58 0.00 0.00 42.46 38.33 3lmt s ILE 132 CO 0.54 -0.01 0.16 -0.54 -1.23 0.00 0.00 174.94 173.85 3lmt s LYS 133 N 1.30 2.63 0.26 2.79 -0.14 -0.24 -5.02 119.74 121.33 3lmt s LYS 133 Ca -0.03 -1.28 0.02 0.00 -1.36 0.00 0.00 55.97 53.32 3lmt s LYS 133 Cb -0.19 -2.38 -0.03 0.00 -1.68 0.00 0.00 37.83 33.55 3lmt s LYS 133 CO -0.01 0.28 0.21 0.96 -0.76 0.00 0.00 175.35 176.03 3lmt s ILE 134 N -2.27 0.00 0.00 2.17 -4.36 -1.26 -1.40 121.20 114.08 3lmt s ILE 134 Ca 0.35 -1.96 0.00 0.00 -0.26 0.00 0.00 60.65 58.78 3lmt s ILE 134 Cb -0.06 -2.50 0.00 0.00 1.25 0.00 0.00 42.46 41.15 3lmt s ILE 134 CO 0.24 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.03 3lmt n GLY 135 N -0.42 1.85 3.21 6.27 0.00 -1.22 -4.71 105.19 110.17 3lmt n GLY 135 Ca 0.04 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 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 3.09 2.63 0.14 1.61 2.20 -1.26 -5.05 119.74 123.11 3lmt s LYS 136 Ca 0.00 -1.95 -0.34 0.00 -0.36 0.00 0.00 55.97 53.32 3lmt s LYS 136 Cb 0.00 -3.97 -0.15 0.00 -1.51 0.00 0.00 37.83 32.20 3lmt s LYS 136 CO 0.00 -1.21 1.35 0.34 -0.36 0.00 0.00 175.35 175.47 3lmt n PHE 137 N 4.62 1.68 -0.94 4.03 7.35 -1.26 -1.15 117.46 131.79 3lmt n PHE 137 Ca -0.03 0.55 0.00 0.00 -0.76 0.00 0.00 57.45 57.21 3lmt n PHE 137 Cb 0.41 -2.37 0.00 0.00 0.35 0.00 0.00 39.48 37.87 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 2.51 0.52 3.67 7.13 0.00 -1.26 -5.01 105.19 112.76 3lmt n GLY 138 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.32 4.87 0.36 1.61 0.02 -0.30 -5.09 114.94 114.09 3lmt s ASN 139 Ca 0.00 -0.30 -0.28 0.00 -1.02 0.00 0.00 52.86 51.26 3lmt s ASN 139 Cb 0.00 -1.09 -0.11 0.00 0.02 0.00 0.00 41.25 40.07 3lmt s ASN 139 CO 0.00 0.13 1.46 -0.47 0.02 0.00 0.00 177.10 178.24 3lmt s TYR 140 N -1.52 2.70 0.03 2.20 5.04 -1.26 -4.87 117.35 119.67 3lmt s TYR 140 Ca 0.26 1.18 0.02 0.00 -2.44 0.00 0.00 57.07 56.09 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 0.18 -2.82 -0.06 -1.64 -1.34 0.00 0.00 175.55 169.87 3lmt s MET 141 N -1.84 0.46 -0.20 4.97 -1.94 -1.26 -4.07 119.30 115.42 3lmt s MET 141 Ca 0.53 -0.59 -0.02 0.00 -1.71 0.00 0.00 55.69 53.90 3lmt s MET 141 Cb -0.45 -0.26 0.00 0.00 2.01 0.00 0.00 34.83 36.13 3lmt s MET 141 CO 0.59 0.05 -0.10 1.21 -0.01 0.00 0.00 175.02 176.76 3lmt s ASN 142 N -1.19 3.84 -0.28 3.03 2.47 0.27 -4.96 114.94 118.12 3lmt s ASN 142 Ca -0.08 -0.49 0.02 0.00 0.42 0.00 0.00 52.86 52.74 3lmt s ASN 142 Cb -0.08 -1.64 0.07 0.00 -1.45 0.00 0.00 41.25 38.16 3lmt s ASN 142 CO 0.00 -0.01 -0.04 -0.63 -3.72 0.00 0.00 177.10 172.70 3lmt s ILE 143 N 1.40 1.95 -0.41 -5.21 1.01 -1.26 0.14 121.20 118.81 3lmt s ILE 143 Ca 0.05 -1.71 -0.29 0.00 0.00 0.00 0.00 60.65 58.71 3lmt s ILE 143 Cb -0.14 -2.23 0.02 0.00 0.01 0.00 0.00 42.46 40.13 3lmt s ILE 143 CO -0.07 -0.24 1.09 -1.81 0.00 0.00 0.00 174.94 173.91 3lmt s ASP 144 N 1.15 6.73 -0.08 3.58 1.01 -0.42 -4.91 116.67 123.73 3lmt s ASP 144 Ca -0.02 0.66 0.04 0.00 0.71 0.00 0.00 52.55 53.94 3lmt s ASP 144 Cb -0.19 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.19 3lmt s ASP 144 CO -0.07 -1.09 -0.22 -0.69 0.21 0.00 0.00 175.17 173.31 3lmt s VAL 145 N 4.07 2.32 -0.63 -1.27 1.01 -1.26 -0.38 120.40 124.26 3lmt s VAL 145 Ca 0.46 -0.95 -0.15 0.00 0.00 0.00 0.00 61.98 61.33 3lmt s VAL 145 Cb -0.09 -1.88 0.16 0.00 0.00 0.00 0.00 36.38 34.56 3lmt s VAL 145 CO 0.25 0.56 0.59 -0.89 0.00 0.00 0.00 175.10 175.61 3lmt s THR 146 N -0.03 5.32 0.06 3.92 2.01 -0.34 -5.01 115.64 121.57 3lmt s THR 146 Ca -0.07 -1.79 -0.31 0.00 0.31 0.00 0.00 61.69 59.84 3lmt s THR 146 Cb -0.15 -4.39 -0.07 0.00 0.01 0.00 0.00 72.50 67.91 3lmt s THR 146 CO 0.05 -0.93 1.42 0.20 -0.69 0.00 0.00 174.62 174.67 3lmt s ASN 147 N 3.16 6.82 -0.68 3.53 0.01 -1.26 -1.39 114.94 125.12 3lmt s ASN 147 Ca 0.08 2.25 -0.05 0.00 -0.71 0.00 0.00 52.86 54.43 3lmt s ASN 147 Cb -0.24 -2.57 0.18 0.00 0.41 0.00 0.00 41.25 39.03 3lmt s ASN 147 CO -0.01 -0.70 0.52 -0.62 -1.51 0.00 0.00 177.10 174.78 3lmt s ASP 148 N 1.57 5.54 0.00 -1.22 2.15 -0.24 -4.72 116.67 119.75 3lmt s ASP 148 Ca 0.65 -2.88 0.00 0.00 0.43 0.00 0.00 52.55 50.75 3lmt s ASP 148 Cb -0.35 -1.92 0.00 0.00 -0.30 0.00 0.00 42.92 40.35 3lmt s ASP 148 CO 0.29 -0.39 0.00 0.61 -0.17 0.00 0.00 175.17 175.50 3lmt n GLY 149 N 3.50 0.50 3.86 2.66 0.00 -1.26 -3.74 105.19 110.70 3lmt n GLY 149 Ca 0.10 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 3.07 -0.21 1.61 0.02 -1.26 -5.16 135.00 133.07 3lmt s PRO 150 Ca 0.00 0.66 0.00 0.00 0.02 0.00 0.00 61.00 61.68 3lmt s PRO 150 Cb 0.00 -2.03 0.05 0.00 0.02 0.00 0.00 34.50 32.54 3lmt s PRO 150 CO 0.00 -0.93 -0.05 0.08 -0.33 0.00 0.00 177.00 175.77 3lmt s VAL 151 N -3.23 1.37 -0.17 3.83 1.01 -1.25 -5.03 120.40 116.94 3lmt s VAL 151 Ca 0.57 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.56 3lmt s VAL 151 Cb -0.12 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.66 3lmt s VAL 151 CO 0.53 -0.02 -0.17 -0.89 0.00 0.00 0.00 175.10 174.56 3lmt s THR 152 N 1.49 2.48 -0.06 3.92 2.01 -1.26 -1.49 115.64 122.72 3lmt s THR 152 Ca -0.03 -0.82 0.05 0.00 0.31 0.00 0.00 61.69 61.19 3lmt s THR 152 Cb -0.17 -2.05 -0.01 0.00 0.01 0.00 0.00 72.50 70.28 3lmt s THR 152 CO -0.07 0.52 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.53 3lmt s ILE 153 N 1.00 2.35 -0.05 1.82 -1.09 0.34 -4.95 121.20 120.63 3lmt s ILE 153 Ca -0.02 -0.96 0.06 0.00 -2.23 0.00 0.00 60.65 57.50 3lmt s ILE 153 Cb -0.15 -1.88 -0.02 0.00 -1.58 0.00 0.00 42.46 38.84 3lmt s ILE 153 CO -0.04 0.57 -0.24 -0.47 -1.23 0.00 0.00 174.94 173.53 3lmt s TYR 154 N -0.20 2.43 -0.02 3.97 6.14 -1.26 -0.24 117.35 128.17 3lmt s TYR 154 Ca -0.02 -0.59 0.00 0.00 0.64 0.00 0.00 57.07 57.11 3lmt s TYR 154 Cb -0.13 -1.57 0.02 0.00 0.42 0.00 0.00 41.96 40.69 3lmt s TYR 154 CO 0.03 -0.13 0.00 0.42 0.64 0.00 0.00 175.55 176.52 3lmt s ILE 155 N -0.34 0.11 -0.31 3.14 1.01 -0.71 -5.01 121.20 119.09 3lmt s ILE 155 Ca 0.02 0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.76 3lmt s ILE 155 Cb -0.12 -0.18 0.09 0.00 0.01 0.00 0.00 42.46 42.26 3lmt s ILE 155 CO 0.02 0.10 0.02 -0.62 0.00 0.00 0.00 174.94 174.46 3lmt s ASP 156 N 0.67 4.46 0.52 3.58 -1.08 -1.26 -1.25 116.67 122.30 3lmt s ASP 156 Ca -0.06 -1.83 0.20 0.00 -0.52 0.00 0.00 52.55 50.34 3lmt s ASP 156 Cb -0.09 -1.41 1.07 0.00 -1.46 0.00 0.00 42.92 41.02 3lmt s ASP 156 CO -0.01 -0.34 1.55 0.71 0.52 0.00 0.00 175.17 177.60 3lmt h THR 157 N 6.62 0.00 -0.01 1.71 1.35 -1.41 0.14 112.91 121.31 3lmt h THR 157 Ca -0.10 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 3lmt h THR 157 Cb 1.03 0.44 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 3lmt h THR 157 CO 0.49 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 177.17 3lmt n HIS 158 N -2.48 0.01 -0.43 4.73 8.25 -1.26 -2.80 115.22 121.24 3lmt n HIS 158 Ca -0.01 -0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.49 3lmt n HIS 158 Cb 0.42 0.00 0.30 0.00 1.12 0.00 0.00 29.99 31.83 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 -0.73 4.55 0.00 0.41 8.00 0.50 -5.12 116.55 124.16 3lmt n ASP 159 Ca 0.21 -2.71 0.00 0.00 0.71 0.00 0.00 54.79 53.00 3lmt n ASP 159 Cb 0.15 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 3lmt n ASP 159 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43