#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ipi s TYR 2 N 0.00 3.59 0.39 3.17 1.51 -1.26 -4.98 117.35 119.76 1ipi s TYR 2 Ca 0.00 0.67 -0.08 0.00 -1.01 0.00 0.00 57.07 56.65 1ipi s TYR 2 Cb 0.00 -2.16 -0.06 0.00 -0.11 0.00 0.00 41.96 39.64 1ipi s TYR 2 CO 0.00 0.56 0.72 -0.98 -1.11 0.00 0.00 175.55 174.73 1ipi s ARG 3 N -0.58 3.70 0.58 -0.62 1.70 -1.26 -5.05 118.95 117.43 1ipi s ARG 3 Ca 0.17 0.30 -0.19 0.00 -0.47 0.00 0.00 55.73 55.55 1ipi s ARG 3 Cb -0.14 -2.45 -0.04 0.00 -0.57 0.00 0.00 34.95 31.75 1ipi s ARG 3 CO 0.06 -0.00 1.19 0.15 -1.08 0.00 0.00 175.30 175.62 1ipi s LYS 4 N -3.93 3.05 -0.71 3.89 1.02 -1.26 -2.90 119.74 118.91 1ipi s LYS 4 Ca 0.49 1.76 0.00 0.00 0.02 0.00 0.00 55.97 58.24 1ipi s LYS 4 Cb -0.10 -1.95 0.00 0.00 -0.52 0.00 0.00 37.83 35.26 1ipi s LYS 4 CO 0.33 -1.13 0.00 0.41 -0.92 0.00 0.00 175.35 174.04 1ipi n GLY 5 N 0.39 0.85 0.22 -3.33 0.00 -1.26 -4.89 105.19 97.17 1ipi n GLY 5 Ca 0.13 -0.74 0.01 0.00 0.00 0.00 0.00 46.02 45.42 1ipi n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ipi h ALA 6 N 0.02 1.35 -0.59 4.61 0.00 -1.95 -1.89 119.26 120.81 1ipi h ALA 6 Ca -0.14 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 1ipi h ALA 6 Cb 0.48 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1ipi h ALA 6 CO 0.20 0.45 0.15 0.37 0.00 0.00 0.00 179.25 180.42 1ipi h GLN 7 N 0.18 0.94 -0.24 0.00 4.15 -1.90 -1.62 115.11 116.62 1ipi h GLN 7 Ca 0.03 -0.22 -0.10 0.00 0.77 0.00 0.00 58.65 59.13 1ipi h GLN 7 Cb 0.58 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 1ipi h GLN 7 CO 0.04 0.86 -0.28 0.00 -1.93 0.00 0.00 178.83 177.53 1ipi h ALA 8 N 1.04 1.08 -0.53 3.38 0.00 -1.85 -1.98 119.26 120.40 1ipi h ALA 8 Ca 0.19 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1ipi h ALA 8 Cb 0.34 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1ipi h ALA 8 CO 0.00 0.57 0.02 0.93 0.00 0.00 0.00 179.25 180.76 1ipi h GLU 9 N 0.41 0.93 -0.68 0.00 5.08 -0.99 -0.47 114.58 118.86 1ipi h GLU 9 Ca 0.06 -0.29 -0.08 0.00 -1.00 0.00 0.00 59.36 58.05 1ipi h GLU 9 Cb 0.70 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 1ipi h GLU 9 CO 0.05 0.94 0.11 0.00 -1.00 0.00 0.00 179.01 179.12 1ipi h ARG 10 N 0.80 1.12 -0.58 2.33 3.08 -1.15 -1.71 114.38 118.28 1ipi h ARG 10 Ca 0.15 -0.30 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 1ipi h ARG 10 Cb 0.51 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 1ipi h ARG 10 CO 0.02 1.02 0.30 1.49 -1.07 0.00 0.00 179.97 181.73 1ipi h GLU 11 N 1.05 0.82 -0.19 0.04 4.81 -1.02 -2.51 114.58 117.56 1ipi h GLU 11 Ca 0.21 -0.11 -0.11 0.00 -0.13 0.00 0.00 59.36 59.22 1ipi h GLU 11 Cb 0.44 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1ipi h GLU 11 CO 0.01 0.65 -0.36 1.25 -0.73 0.00 0.00 179.01 179.83 1ipi h LEU 12 N 0.78 0.43 -0.80 1.64 5.85 -0.86 -2.81 115.31 119.53 1ipi h LEU 12 Ca 0.20 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.77 1ipi h LEU 12 Cb 0.08 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1ipi h LEU 12 CO -0.03 0.76 0.52 0.40 -0.34 0.00 0.00 178.44 179.75 1ipi h ILE 13 N 0.35 1.16 -0.09 4.05 2.04 -0.90 -1.31 117.51 122.81 1ipi h ILE 13 Ca 0.04 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 1ipi h ILE 13 Cb 0.80 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1ipi h ILE 13 CO 0.06 0.19 0.03 0.11 0.00 0.00 0.00 178.15 178.55 1ipi h LYS 14 N 1.04 0.13 -0.44 2.37 1.79 -1.29 -1.52 116.57 118.65 1ipi h LYS 14 Ca 0.31 -0.03 0.09 0.00 -2.18 0.00 0.00 60.65 58.84 1ipi h LYS 14 Cb -0.05 -0.02 -0.08 0.00 -1.58 0.00 0.00 32.23 30.50 1ipi h LYS 14 CO -0.09 0.27 -0.06 -0.07 -1.08 0.00 0.00 179.45 178.42 1ipi h LEU 15 N -0.03 -0.31 -0.55 2.94 4.07 -1.21 -0.80 115.31 119.42 1ipi h LEU 15 Ca 0.03 0.12 -0.00 0.00 0.08 0.00 0.00 57.88 58.11 1ipi h LEU 15 Cb 0.19 0.23 -0.03 0.00 1.08 0.00 0.00 40.66 42.14 1ipi h LEU 15 CO -0.00 -0.11 0.34 -0.07 -1.08 0.00 0.00 178.44 177.52 1ipi h LEU 16 N 0.05 0.65 -1.64 1.67 4.07 -1.13 -2.07 115.31 116.90 1ipi h LEU 16 Ca 0.22 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.13 1ipi h LEU 16 Cb 0.33 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.89 1ipi h LEU 16 CO -0.42 0.50 0.24 -0.33 -1.08 0.00 0.00 178.44 177.36 1ipi h GLU 17 N 0.73 0.48 -0.02 1.13 5.08 -0.49 0.44 114.58 121.94 1ipi h GLU 17 Ca 0.20 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1ipi h GLU 17 Cb -0.03 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 1ipi h GLU 17 CO -0.04 0.32 0.02 0.87 -1.00 0.00 0.00 179.01 179.18 1ipi h LYS 18 N 0.50 0.00 -0.58 2.33 1.57 -0.43 -1.64 116.57 118.31 1ipi h LYS 18 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1ipi h LYS 18 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1ipi h LYS 18 CO -0.03 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.57 1ipi n HIS 19 N -4.29 0.87 -0.18 -1.35 8.25 0.13 -4.92 115.22 113.73 1ipi n HIS 19 Ca -0.02 -0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.04 1ipi n HIS 19 Cb 0.11 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.16 1ipi n HIS 19 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ipi n GLY 20 N 1.23 0.75 3.85 -1.41 0.00 -0.62 -5.08 105.19 103.91 1ipi n GLY 20 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1ipi n GLY 20 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ipi s PHE 21 N -2.18 3.54 -0.15 1.61 0.08 -1.10 -4.63 117.98 115.15 1ipi s PHE 21 Ca 0.00 1.03 -0.08 0.00 0.12 0.00 0.00 56.93 58.00 1ipi s PHE 21 Cb 0.00 -2.35 -0.04 0.00 -0.57 0.00 0.00 43.02 40.05 1ipi s PHE 21 CO 0.00 0.36 0.12 0.00 -0.10 0.00 0.00 175.22 175.60 1ipi s ALA 22 N -1.60 3.72 -0.03 5.36 0.00 0.16 -4.03 121.76 125.34 1ipi s ALA 22 Ca 0.42 -0.68 -0.05 0.00 0.00 0.00 0.00 51.96 51.64 1ipi s ALA 22 Cb -0.14 -1.98 0.01 0.00 0.00 0.00 0.00 23.12 21.01 1ipi s ALA 22 CO 0.20 0.43 0.13 0.08 0.00 0.00 0.00 175.76 176.60 1ipi s VAL 23 N -0.45 0.03 0.13 0.00 1.01 -1.26 -1.64 120.40 118.21 1ipi s VAL 23 Ca 0.11 -0.25 0.07 0.00 0.00 0.00 0.00 61.98 61.91 1ipi s VAL 23 Cb -0.12 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 1ipi s VAL 23 CO 0.02 -0.14 -0.17 0.68 0.00 0.00 0.00 175.10 175.49 1ipi s VAL 24 N -0.44 1.57 -0.12 2.92 -7.23 -0.80 -5.00 120.40 111.31 1ipi s VAL 24 Ca -0.05 -1.70 -0.04 0.00 -1.81 0.00 0.00 61.98 58.37 1ipi s VAL 24 Cb -0.03 -1.60 -0.04 0.00 0.56 0.00 0.00 36.38 35.27 1ipi s VAL 24 CO 0.01 -0.28 0.03 -0.60 -0.31 0.00 0.00 175.10 173.95 1ipi s ARG 25 N -2.44 3.33 0.13 4.82 3.52 -1.26 -2.26 118.95 124.78 1ipi s ARG 25 Ca 0.10 -0.36 -0.30 0.00 -0.13 0.00 0.00 55.73 55.03 1ipi s ARG 25 Cb -0.07 -2.95 -0.07 0.00 -1.56 0.00 0.00 34.95 30.30 1ipi s ARG 25 CO 0.04 0.58 1.12 -1.54 -0.81 0.00 0.00 175.30 174.69 1ipi s SER 26 N -0.52 7.22 -0.04 -2.12 1.04 -0.48 -4.98 113.70 113.83 1ipi s SER 26 Ca 0.10 2.02 -0.26 0.00 0.48 0.00 0.00 55.95 58.29 1ipi s SER 26 Cb -0.12 -2.59 -0.21 0.00 0.10 0.00 0.00 66.02 63.20 1ipi s SER 26 CO 0.02 -0.30 1.18 0.00 0.98 0.00 0.00 173.24 175.12 1ipi h ALA 27 N 5.77 -0.02 -2.47 5.32 0.00 -1.93 -3.44 119.26 122.49 1ipi h ALA 27 Ca -0.43 -0.28 -0.49 0.00 0.00 0.00 0.00 54.91 53.71 1ipi h ALA 27 Cb 1.21 0.01 0.09 0.00 0.00 0.00 0.00 17.79 19.10 1ipi h ALA 27 CO 0.75 -0.23 0.40 0.20 0.00 0.00 0.00 179.25 180.38 1ipi s GLY 28 N -3.32 1.63 -0.17 0.00 0.00 -1.26 -4.99 107.32 99.20 1ipi s GLY 28 Ca -0.16 -0.33 0.17 0.00 0.00 0.00 0.00 44.72 44.39 1ipi s GLY 28 CO 0.66 0.05 1.35 1.44 0.00 0.00 0.00 173.10 176.61 1ipi n SER 29 N -3.10 3.44 -0.30 1.64 7.64 -1.26 -4.61 113.62 117.07 1ipi n SER 29 Ca 0.07 -3.07 0.11 0.00 1.01 0.00 0.00 58.87 56.99 1ipi n SER 29 Cb 0.57 -0.52 0.07 0.00 -1.01 0.00 0.00 64.21 63.32 1ipi n SER 29 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1ipi n LYS 30 N -0.77 0.78 0.00 1.43 5.02 -1.26 -4.88 118.16 118.48 1ipi n LYS 30 Ca 0.20 -0.60 0.00 0.00 -2.02 0.00 0.00 58.31 55.89 1ipi n LYS 30 Cb 0.84 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 1ipi n LYS 30 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ipi n LYS 31 N -0.58 0.00 -4.33 1.97 4.76 -1.26 -5.06 118.16 113.66 1ipi n LYS 31 Ca 0.08 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.34 1ipi n LYS 31 Cb 0.40 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.49 1ipi n LYS 31 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1ipi s VAL 32 N 2.08 1.67 0.02 -0.18 -7.23 -1.26 -4.71 120.40 110.79 1ipi s VAL 32 Ca 0.00 -2.13 -0.20 0.00 -1.81 0.00 0.00 61.98 57.84 1ipi s VAL 32 Cb 0.00 -1.96 -0.18 0.00 0.56 0.00 0.00 36.38 34.80 1ipi s VAL 32 CO 0.00 -0.56 1.23 0.44 -0.31 0.00 0.00 175.10 175.89 1ipi h ASP 33 N 2.73 0.44 -4.22 4.85 3.32 -1.52 -3.40 116.42 118.62 1ipi h ASP 33 Ca -0.39 -0.61 -0.45 0.00 0.02 0.00 0.00 57.03 55.60 1ipi h ASP 33 Cb 1.21 -0.13 -0.20 0.00 0.22 0.00 0.00 39.33 40.43 1ipi h ASP 33 CO 0.60 0.98 -0.78 -0.76 -1.72 0.00 0.00 179.24 177.55 1ipi s LEU 34 N -8.76 2.33 -0.06 1.55 1.43 -0.66 -1.38 118.68 113.14 1ipi s LEU 34 Ca -0.14 -0.71 -0.01 0.00 -1.03 0.00 0.00 54.13 52.24 1ipi s LEU 34 Cb 0.04 -0.62 0.03 0.00 0.03 0.00 0.00 46.19 45.67 1ipi s LEU 34 CO 0.78 -0.07 0.00 -0.69 0.23 0.00 0.00 176.35 176.60 1ipi s VAL 35 N -1.59 0.34 0.21 -1.59 1.01 -0.96 -0.44 120.40 117.39 1ipi s VAL 35 Ca 0.04 0.11 0.08 0.00 0.00 0.00 0.00 61.98 62.21 1ipi s VAL 35 Cb -0.08 -0.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 1ipi s VAL 35 CO 0.03 0.24 -0.13 0.00 0.00 0.00 0.00 175.10 175.24 1ipi s ALA 36 N 1.75 2.06 -0.12 5.51 0.00 0.72 -1.91 121.76 129.76 1ipi s ALA 36 Ca 0.01 -1.69 -0.29 0.00 0.00 0.00 0.00 51.96 49.99 1ipi s ALA 36 Cb -0.13 -0.05 0.08 0.00 0.00 0.00 0.00 23.12 23.03 1ipi s ALA 36 CO -0.04 0.05 0.76 0.20 0.00 0.00 0.00 175.76 176.73 1ipi s GLY 37 N -3.33 -0.50 0.00 0.00 0.00 -0.66 -1.06 107.32 101.77 1ipi s GLY 37 Ca 0.23 1.64 0.00 0.00 0.00 0.00 0.00 44.72 46.60 1ipi s GLY 37 CO 0.08 1.17 0.65 1.16 0.00 0.00 0.00 173.10 176.16 1ipi n ASN 38 N 1.29 0.84 0.00 1.64 6.94 -0.94 -0.67 115.26 124.37 1ipi n ASN 38 Ca -0.16 -1.39 0.00 0.00 -0.02 0.00 0.00 54.58 53.01 1ipi n ASN 38 Cb 0.57 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.99 1ipi n ASN 38 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ipi n GLY 39 N -0.19 1.39 0.00 4.83 0.00 -1.26 -4.79 105.19 105.17 1ipi n GLY 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ipi n GLY 39 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ipi n LYS 40 N -1.49 4.34 -4.66 1.61 -0.00 -1.26 -5.09 118.16 111.61 1ipi n LYS 40 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.09 1ipi n LYS 40 Cb 0.00 -0.36 -0.15 0.00 -0.00 0.00 0.00 35.03 34.52 1ipi n LYS 40 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1ipi s LYS 41 N 0.00 1.16 -0.07 -1.58 2.20 -1.26 -5.14 119.74 115.05 1ipi s LYS 41 Ca 0.00 -0.53 0.03 0.00 -0.36 0.00 0.00 55.97 55.11 1ipi s LYS 41 Cb 0.00 -1.12 0.01 0.00 -1.51 0.00 0.00 37.83 35.20 1ipi s LYS 41 CO 0.00 0.31 -0.15 0.71 -0.36 0.00 0.00 175.35 175.86 1ipi s TYR 42 N -0.36 1.66 -0.04 4.03 2.02 -1.26 -2.21 117.35 121.19 1ipi s TYR 42 Ca 0.05 -0.61 0.06 0.00 -0.37 0.00 0.00 57.07 56.20 1ipi s TYR 42 Cb -0.06 -1.18 -0.01 0.00 -0.40 0.00 0.00 41.96 40.31 1ipi s TYR 42 CO -0.00 -0.29 -0.24 -0.51 -1.57 0.00 0.00 175.55 172.93 1ipi s LEU 43 N 0.55 2.05 -0.21 -1.29 1.43 -0.22 0.01 118.68 120.99 1ipi s LEU 43 Ca -0.14 -0.48 -0.00 0.00 -1.03 0.00 0.00 54.13 52.48 1ipi s LEU 43 Cb -0.16 -1.30 0.02 0.00 0.03 0.00 0.00 46.19 44.78 1ipi s LEU 43 CO 0.04 0.26 -0.13 0.00 0.23 0.00 0.00 176.35 176.75 1ipi s ILE 45 N 1.31 2.21 -0.29 0.00 1.01 0.42 -1.07 121.20 124.78 1ipi s ILE 45 Ca 0.02 -1.05 -0.06 0.00 0.00 0.00 0.00 60.65 59.56 1ipi s ILE 45 Cb -0.15 -1.78 0.01 0.00 0.01 0.00 0.00 42.46 40.55 1ipi s ILE 45 CO -0.08 0.58 0.07 -0.70 0.00 0.00 0.00 174.94 174.81 1ipi s GLU 46 N -0.59 3.05 -0.16 2.79 2.56 -0.30 -1.18 118.70 124.87 1ipi s GLU 46 Ca 0.09 -0.88 -0.13 0.00 0.00 0.00 0.00 54.97 54.06 1ipi s GLU 46 Cb -0.10 -3.35 -0.05 0.00 2.00 0.00 0.00 34.13 32.63 1ipi s GLU 46 CO -0.00 -0.45 0.26 0.08 -0.56 0.00 0.00 175.26 174.58 1ipi s VAL 47 N 1.48 5.33 0.06 3.70 1.01 -1.26 -0.74 120.40 129.98 1ipi s VAL 47 Ca 0.02 0.47 0.04 0.00 0.00 0.00 0.00 61.98 62.51 1ipi s VAL 47 Cb -0.17 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1ipi s VAL 47 CO 0.02 0.43 -0.11 -0.54 0.00 0.00 0.00 175.10 174.89 1ipi s LYS 48 N 0.26 0.70 -0.02 2.72 3.01 0.12 -4.99 119.74 121.55 1ipi s LYS 48 Ca 0.15 -0.89 0.01 0.00 -1.01 0.00 0.00 55.97 54.23 1ipi s LYS 48 Cb -0.13 -0.60 0.01 0.00 -1.01 0.00 0.00 37.83 36.11 1ipi s LYS 48 CO 0.03 0.13 -0.02 0.14 0.51 0.00 0.00 175.35 176.14 1ipi s VAL 49 N -1.37 0.27 0.01 3.17 -7.23 -1.26 -0.75 120.40 113.24 1ipi s VAL 49 Ca -0.05 -0.04 -0.08 0.00 -1.81 0.00 0.00 61.98 60.00 1ipi s VAL 49 Cb -0.10 -0.31 0.00 0.00 0.56 0.00 0.00 36.38 36.54 1ipi s VAL 49 CO 0.01 0.13 0.17 0.28 -0.31 0.00 0.00 175.10 175.38 1ipi s THR 50 N 0.57 0.09 -1.55 5.32 -1.32 -0.98 -4.97 115.64 112.80 1ipi s THR 50 Ca -0.06 -0.73 0.23 0.00 -1.21 0.00 0.00 61.69 59.92 1ipi s THR 50 Cb -0.09 -0.58 0.00 0.00 -1.51 0.00 0.00 72.50 70.32 1ipi s THR 50 CO -0.01 -0.40 1.20 0.29 -2.21 0.00 0.00 174.62 173.49 1ipi n LYS 51 N 1.24 0.63 -2.46 7.08 5.02 -1.26 -1.99 118.16 126.42 1ipi n LYS 51 Ca -0.22 -0.48 -0.25 0.00 -2.02 0.00 0.00 58.31 55.35 1ipi n LYS 51 Cb 0.56 -1.49 0.13 0.00 -0.02 0.00 0.00 35.03 34.22 1ipi n LYS 51 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1ipi s LYS 52 N -2.70 1.35 -0.09 1.97 1.02 -1.26 -4.85 119.74 115.18 1ipi s LYS 52 Ca 0.16 -1.04 0.18 0.00 0.02 0.00 0.00 55.97 55.30 1ipi s LYS 52 Cb 0.18 -2.22 0.66 0.00 -0.52 0.00 0.00 37.83 35.93 1ipi s LYS 52 CO 0.66 -1.73 1.57 -0.40 -0.92 0.00 0.00 175.35 174.53 1ipi n ASP 53 N -3.07 4.46 -3.50 2.83 5.75 -1.26 -4.69 116.55 117.07 1ipi n ASP 53 Ca 0.16 -2.39 -0.14 0.00 -0.01 0.00 0.00 54.79 52.40 1ipi n ASP 53 Cb 0.60 -0.53 -0.04 0.00 -1.03 0.00 0.00 41.12 40.12 1ipi n ASP 53 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1ipi s HIS 54 N -1.74 -0.55 -0.12 2.11 -3.43 -1.26 -4.48 115.29 105.82 1ipi s HIS 54 Ca 0.48 0.73 -0.05 0.00 -0.80 0.00 0.00 55.06 55.42 1ipi s HIS 54 Cb 0.30 0.47 0.06 0.00 -1.43 0.00 0.00 32.58 31.98 1ipi s HIS 54 CO 0.24 -0.64 0.26 -1.17 -2.00 0.00 0.00 174.74 171.43 1ipi s LEU 55 N -1.77 -0.05 0.04 5.38 2.96 -0.45 -4.95 118.68 119.85 1ipi s LEU 55 Ca -0.05 0.58 -0.30 0.00 -0.22 0.00 0.00 54.13 54.14 1ipi s LEU 55 Cb -0.00 0.74 -0.04 0.00 0.50 0.00 0.00 46.19 47.38 1ipi s LEU 55 CO 0.00 -0.21 1.09 -0.47 -1.32 0.00 0.00 176.35 175.44 1ipi s TYR 56 N 1.98 3.56 -0.18 5.38 5.04 -1.26 -0.41 117.35 131.46 1ipi s TYR 56 Ca -0.03 1.51 -0.00 0.00 -2.44 0.00 0.00 57.07 56.11 1ipi s TYR 56 Cb -0.11 -3.27 0.00 0.00 0.35 0.00 0.00 41.96 38.94 1ipi s TYR 56 CO -0.09 -0.63 -0.15 0.08 -1.34 0.00 0.00 175.55 173.43 1ipi s VAL 57 N 0.97 2.58 0.76 3.14 1.01 0.14 -4.97 120.40 124.04 1ipi s VAL 57 Ca 0.55 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 1ipi s VAL 57 Cb -0.25 -2.11 0.05 0.00 0.00 0.00 0.00 36.38 34.06 1ipi s VAL 57 CO 0.29 0.50 1.09 -0.83 0.00 0.00 0.00 175.10 176.15 1ipi s GLY 58 N 1.13 1.63 0.20 4.51 0.00 -1.26 -2.73 107.32 110.80 1ipi s GLY 58 Ca 0.01 -0.18 -0.10 0.00 0.00 0.00 0.00 44.72 44.45 1ipi s GLY 58 CO -0.05 0.21 1.83 1.70 0.00 0.00 0.00 173.10 176.79 1ipi h LYS 59 N -0.92 1.04 0.11 2.90 3.64 -1.95 -2.87 116.57 118.51 1ipi h LYS 59 Ca -0.46 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 1ipi h LYS 59 Cb 1.25 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 1ipi h LYS 59 CO 0.60 0.76 -0.08 -0.09 -2.27 0.00 0.00 179.45 178.36 1ipi h ARG 60 N 1.03 -0.19 -0.16 1.90 2.43 -1.95 -0.58 114.38 116.87 1ipi h ARG 60 Ca 0.27 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.44 1ipi h ARG 60 Cb 0.01 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1ipi h ARG 60 CO -0.05 -0.13 0.07 -0.44 -1.51 0.00 0.00 179.97 177.92 1ipi h ASP 61 N -0.20 0.21 -0.73 -3.80 3.32 -1.93 -1.82 116.42 111.48 1ipi h ASP 61 Ca -0.00 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 56.88 1ipi h ASP 61 Cb 0.18 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 1ipi h ASP 61 CO -0.01 0.29 0.35 0.24 -1.72 0.00 0.00 179.24 178.38 1ipi h MET 62 N 0.11 1.07 -0.53 3.56 2.86 -1.45 0.99 114.93 121.55 1ipi h MET 62 Ca 0.05 -0.15 -0.09 0.00 -2.06 0.00 0.00 59.70 57.45 1ipi h MET 62 Cb 0.14 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 1ipi h MET 62 CO -0.01 0.83 -0.04 0.78 1.06 0.00 0.00 176.91 179.54 1ipi h GLY 63 N 1.11 1.00 0.86 8.32 0.00 -1.01 0.51 103.07 113.87 1ipi h GLY 63 Ca 0.26 -0.73 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 1ipi h GLY 63 CO -0.03 0.67 0.05 -0.09 0.00 0.00 0.00 176.54 177.15 1ipi h ARG 64 N 0.85 0.34 0.52 4.80 2.43 -0.78 -1.86 114.38 120.68 1ipi h ARG 64 Ca 0.15 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1ipi h ARG 64 Cb 0.55 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1ipi h ARG 64 CO 0.03 0.46 -0.30 1.25 -1.51 0.00 0.00 179.97 179.89 1ipi h LEU 65 N 0.17 -0.75 -0.51 3.80 5.85 -0.55 -2.21 115.31 121.11 1ipi h LEU 65 Ca 0.07 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.88 1ipi h LEU 65 Cb 0.27 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 1ipi h LEU 65 CO 0.00 -0.48 0.25 0.40 -0.34 0.00 0.00 178.44 178.27 1ipi h ILE 66 N -0.77 0.94 -0.19 4.05 2.04 -0.91 -1.38 117.51 121.29 1ipi h ILE 66 Ca -0.06 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1ipi h ILE 66 Cb 0.62 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1ipi h ILE 66 CO 0.07 0.09 0.09 -0.08 0.00 0.00 0.00 178.15 178.32 1ipi h GLU 67 N 0.48 0.27 -0.70 2.37 4.57 -1.31 -0.79 114.58 119.48 1ipi h GLU 67 Ca 0.23 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.33 1ipi h GLU 67 Cb 0.16 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 1ipi h GLU 67 CO -0.17 0.30 0.28 0.35 -1.18 0.00 0.00 179.01 178.60 1ipi h PHE 68 N 0.18 1.07 -0.55 0.92 3.04 -1.23 -2.14 116.94 118.23 1ipi h PHE 68 Ca 0.07 -0.08 -0.06 0.00 3.98 0.00 0.00 57.97 61.88 1ipi h PHE 68 Cb 0.12 -0.32 -0.02 0.00 2.56 0.00 0.00 35.95 38.29 1ipi h PHE 68 CO -0.02 0.83 0.10 0.77 -2.02 0.00 0.00 178.31 177.96 1ipi h SER 69 N 1.01 0.81 -0.16 0.41 0.02 -1.12 -0.02 113.55 114.50 1ipi h SER 69 Ca 0.24 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1ipi h SER 69 Cb 0.21 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1ipi h SER 69 CO -0.02 0.81 0.05 -0.09 -1.14 0.00 0.00 176.83 176.45 1ipi h ARG 70 N 0.82 0.25 -0.30 3.45 2.43 -0.75 0.18 114.38 120.45 1ipi h ARG 70 Ca 0.17 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1ipi h ARG 70 Cb 0.35 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1ipi h ARG 70 CO 0.00 0.37 -0.06 -0.09 -1.51 0.00 0.00 179.97 178.68 1ipi h ARG 71 N 0.08 0.57 -0.22 0.20 2.43 -1.20 -3.14 114.38 113.10 1ipi h ARG 71 Ca 0.05 -0.21 -0.09 0.00 -0.81 0.00 0.00 59.98 58.92 1ipi h ARG 71 Cb 0.22 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1ipi h ARG 71 CO -0.00 0.75 -0.24 0.35 -1.51 0.00 0.00 179.97 179.32 1ipi h PHE 72 N 0.34 0.44 -1.19 2.20 3.04 -0.95 -3.47 116.94 117.36 1ipi h PHE 72 Ca 0.08 -0.09 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1ipi h PHE 72 Cb 0.53 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 38.93 1ipi h PHE 72 CO 0.05 0.62 0.00 0.41 -2.02 0.00 0.00 178.31 177.36 1ipi n GLY 73 N -0.46 0.52 3.16 2.40 0.00 0.54 -5.08 105.19 106.27 1ipi n GLY 73 Ca -0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 1ipi n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ipi s GLY 74 N -2.17 1.03 -0.17 -0.02 0.00 -0.71 -4.79 107.32 100.49 1ipi s GLY 74 Ca 0.00 -1.49 -0.28 0.00 0.00 0.00 0.00 44.72 42.94 1ipi s GLY 74 CO 0.00 -1.37 0.98 -0.42 0.00 0.00 0.00 173.10 172.28 1ipi s ILE 75 N -4.04 4.77 -0.04 0.90 1.01 0.10 -4.53 121.20 119.36 1ipi s ILE 75 Ca 0.25 1.94 -0.30 0.00 0.00 0.00 0.00 60.65 62.54 1ipi s ILE 75 Cb 0.07 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 38.23 1ipi s ILE 75 CO 0.03 -0.07 1.41 -2.16 0.00 0.00 0.00 174.94 174.15 1ipi s PRO 76 N 2.53 4.26 -0.03 2.79 0.04 -1.26 -2.09 135.00 141.25 1ipi s PRO 76 Ca 0.44 1.94 0.03 0.00 0.04 0.00 0.00 61.00 63.45 1ipi s PRO 76 Cb -0.17 -3.67 -0.00 0.00 0.04 0.00 0.00 34.50 30.71 1ipi s PRO 76 CO 0.12 -0.63 -0.12 0.08 0.04 0.00 0.00 177.00 176.48 1ipi s VAL 77 N 2.82 1.03 -0.19 -0.36 1.01 -0.23 -1.71 120.40 122.78 1ipi s VAL 77 Ca 0.63 -0.50 -0.07 0.00 0.00 0.00 0.00 61.98 62.04 1ipi s VAL 77 Cb -0.30 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1ipi s VAL 77 CO 0.25 0.31 0.05 -0.22 0.00 0.00 0.00 175.10 175.49 1ipi s LEU 78 N 0.09 3.67 -0.15 3.92 2.96 -0.97 -1.15 118.68 127.04 1ipi s LEU 78 Ca -0.02 -0.00 0.01 0.00 -0.22 0.00 0.00 54.13 53.90 1ipi s LEU 78 Cb -0.09 -1.93 0.02 0.00 0.50 0.00 0.00 46.19 44.68 1ipi s LEU 78 CO 0.01 0.13 -0.18 0.00 -1.32 0.00 0.00 176.35 174.99 1ipi s ALA 79 N 0.60 2.08 -0.11 5.97 0.00 0.08 -2.66 121.76 127.72 1ipi s ALA 79 Ca 0.02 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 50.97 1ipi s ALA 79 Cb -0.13 -1.06 0.01 0.00 0.00 0.00 0.00 23.12 21.94 1ipi s ALA 79 CO 0.02 -0.27 -0.18 0.08 0.00 0.00 0.00 175.76 175.41 1ipi s VAL 80 N 1.23 1.68 -0.52 0.00 1.01 -0.63 -0.70 120.40 122.47 1ipi s VAL 80 Ca 0.01 -0.77 -0.19 0.00 0.00 0.00 0.00 61.98 61.04 1ipi s VAL 80 Cb -0.14 -1.51 0.06 0.00 0.00 0.00 0.00 36.38 34.80 1ipi s VAL 80 CO -0.09 0.48 0.64 -0.75 0.00 0.00 0.00 175.10 175.38 1ipi s LYS 81 N 0.80 3.12 -0.46 2.72 2.20 0.07 -1.55 119.74 126.64 1ipi s LYS 81 Ca -0.10 -0.92 -0.21 0.00 -0.36 0.00 0.00 55.97 54.38 1ipi s LYS 81 Cb -0.16 -4.12 0.03 0.00 -1.51 0.00 0.00 37.83 32.08 1ipi s LYS 81 CO 0.01 -1.26 0.66 -0.06 -0.36 0.00 0.00 175.35 174.34 1ipi s PHE 82 N 2.67 3.04 0.37 4.03 0.40 0.14 -2.31 117.98 126.32 1ipi s PHE 82 Ca 0.15 -0.14 -0.27 0.00 -0.60 0.00 0.00 56.93 56.07 1ipi s PHE 82 Cb -0.20 -3.44 -0.11 0.00 0.51 0.00 0.00 43.02 39.78 1ipi s PHE 82 CO 0.11 -0.94 1.30 1.28 0.70 0.00 0.00 175.22 177.68 1ipi n LEU 83 N 6.34 3.83 -0.45 -0.37 4.77 -0.84 -0.61 117.00 129.68 1ipi n LEU 83 Ca -0.02 1.18 -0.06 0.00 -0.03 0.00 0.00 56.01 57.08 1ipi n LEU 83 Cb 0.47 -1.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.04 1ipi n LEU 83 CO 0.54 -0.48 -0.06 0.59 -1.33 0.00 0.00 177.39 176.66 1ipi n ASN 84 N 0.55 -3.74 0.00 -1.43 3.02 -1.26 -4.71 115.26 107.68 1ipi n ASN 84 Ca 0.05 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 1ipi n ASN 84 Cb 0.38 -1.76 0.00 0.00 -0.61 0.00 0.00 39.78 37.78 1ipi n ASN 84 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1ipi n VAL 85 N -2.82 0.00 0.00 2.41 3.14 -0.83 -5.18 118.33 115.05 1ipi n VAL 85 Ca -0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 1ipi n VAL 85 Cb 0.20 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.98 1ipi n VAL 85 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ipi n GLY 86 N -0.61 -0.25 3.81 7.55 0.00 0.22 -4.98 105.19 110.93 1ipi n GLY 86 Ca 0.00 -2.26 -0.35 0.00 0.00 0.00 0.00 46.02 43.41 1ipi n GLY 86 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ipi s TRP 87 N -0.24 3.59 0.00 1.61 0.52 -1.26 -0.68 118.94 122.47 1ipi s TRP 87 Ca 0.00 1.45 -0.01 0.00 0.02 0.00 0.00 56.10 57.55 1ipi s TRP 87 Cb 0.00 -2.68 -0.01 0.00 -1.15 0.00 0.00 33.47 29.64 1ipi s TRP 87 CO 0.00 0.24 0.02 1.03 0.02 0.00 0.00 176.95 178.26 1ipi s ARG 88 N -2.24 0.17 0.11 4.98 1.81 -0.60 -4.76 118.95 118.42 1ipi s ARG 88 Ca 0.48 -0.23 0.04 0.00 -1.72 0.00 0.00 55.73 54.29 1ipi s ARG 88 Cb -0.15 0.07 -0.04 0.00 -0.45 0.00 0.00 34.95 34.37 1ipi s ARG 88 CO 0.20 -0.03 -0.10 -0.06 -0.68 0.00 0.00 175.30 174.63 1ipi s PHE 89 N -0.64 1.10 -0.21 -0.53 0.08 0.62 -1.61 117.98 116.79 1ipi s PHE 89 Ca -0.07 -0.70 -0.11 0.00 0.12 0.00 0.00 56.93 56.17 1ipi s PHE 89 Cb -0.04 -0.59 0.07 0.00 -0.57 0.00 0.00 43.02 41.89 1ipi s PHE 89 CO -0.00 0.01 0.49 -1.50 -0.10 0.00 0.00 175.22 174.11 1ipi s ILE 90 N -2.73 -0.14 -0.21 0.64 1.10 -1.09 0.26 121.20 119.03 1ipi s ILE 90 Ca 0.08 0.08 -0.29 0.00 -0.51 0.00 0.00 60.65 60.01 1ipi s ILE 90 Cb -0.01 -0.73 -0.00 0.00 0.15 0.00 0.00 42.46 41.87 1ipi s ILE 90 CO -0.00 0.03 1.20 -0.70 -2.11 0.00 0.00 174.94 173.36 1ipi s GLU 91 N 1.69 4.19 -0.07 3.50 2.12 -1.26 -2.30 118.70 126.57 1ipi s GLU 91 Ca -0.08 1.51 -0.26 0.00 0.36 0.00 0.00 54.97 56.49 1ipi s GLU 91 Cb -0.08 -3.75 -0.03 0.00 0.26 0.00 0.00 34.13 30.53 1ipi s GLU 91 CO -0.15 -0.75 0.81 0.14 -0.54 0.00 0.00 175.26 174.77 1ipi s VAL 92 N 3.54 4.97 0.34 3.70 -7.23 -0.69 -5.00 120.40 120.02 1ipi s VAL 92 Ca 0.52 1.66 -0.19 0.00 -1.81 0.00 0.00 61.98 62.15 1ipi s VAL 92 Cb -0.19 -4.14 -0.10 0.00 0.56 0.00 0.00 36.38 32.52 1ipi s VAL 92 CO 0.13 0.18 0.83 -0.55 -0.31 0.00 0.00 175.10 175.38 1ipi s SER 93 N 0.92 6.95 0.00 4.85 0.15 -1.26 -4.69 113.70 120.62 1ipi s SER 93 Ca 0.42 1.50 0.15 0.00 0.70 0.00 0.00 55.95 58.72 1ipi s SER 93 Cb -0.18 -2.46 0.82 0.00 -1.71 0.00 0.00 66.02 62.48 1ipi s SER 93 CO 0.20 -0.19 1.35 -0.81 1.20 0.00 0.00 173.24 174.99 1ipi n PRO 94 N -0.13 0.34 0.00 5.44 -0.04 -1.26 -2.24 135.00 137.11 1ipi n PRO 94 Ca 0.03 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.69 1ipi n PRO 94 Cb 0.53 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.74 1ipi n PRO 94 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ipi n LYS 95 N -1.14 0.89 -4.44 0.54 5.02 -1.26 -4.88 118.16 112.89 1ipi n LYS 95 Ca 0.09 -0.60 -0.32 0.00 -2.02 0.00 0.00 58.31 55.46 1ipi n LYS 95 Cb 0.08 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.50 1ipi n LYS 95 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1ipi s ILE 96 N -2.53 3.60 0.00 -0.18 -4.36 -0.95 -5.02 121.20 111.77 1ipi s ILE 96 Ca 0.22 -0.84 0.00 0.00 -0.26 0.00 0.00 60.65 59.77 1ipi s ILE 96 Cb 0.19 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 41.32 1ipi s ILE 96 CO 0.55 0.36 0.00 -1.84 0.24 0.00 0.00 174.94 174.25 1ipi n GLU 97 N 1.46 2.10 -3.66 0.37 0.28 -1.26 -4.87 120.64 115.05 1ipi n GLU 97 Ca -0.15 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.70 1ipi n GLU 97 Cb 0.52 -0.83 -0.08 0.00 1.43 0.00 0.00 31.44 32.49 1ipi n GLU 97 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1ipi s LYS 98 N -1.33 0.77 -0.05 3.44 1.02 -1.26 -3.01 119.74 119.32 1ipi s LYS 98 Ca 0.00 0.28 -0.31 0.00 0.02 0.00 0.00 55.97 55.96 1ipi s LYS 98 Cb 0.00 0.36 0.11 0.00 -0.52 0.00 0.00 37.83 37.78 1ipi s LYS 98 CO 0.00 -0.19 1.09 -0.59 -0.92 0.00 0.00 175.35 174.74 1ipi s PHE 99 N -0.70 -0.17 -0.25 3.18 -0.71 -1.11 -5.03 117.98 113.19 1ipi s PHE 99 Ca -0.08 0.05 -0.09 0.00 -1.04 0.00 0.00 56.93 55.76 1ipi s PHE 99 Cb -0.03 0.55 -0.04 0.00 -1.21 0.00 0.00 43.02 42.28 1ipi s PHE 99 CO 0.05 -0.42 0.13 0.08 -1.34 0.00 0.00 175.22 173.72 1ipi s VAL 100 N -2.76 4.97 -0.18 -2.49 1.01 -1.26 -0.68 120.40 119.01 1ipi s VAL 100 Ca 0.10 0.05 -0.09 0.00 0.00 0.00 0.00 61.98 62.04 1ipi s VAL 100 Cb 0.00 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 1ipi s VAL 100 CO -0.05 0.32 0.11 0.12 0.00 0.00 0.00 175.10 175.61 1ipi s PHE 101 N 1.40 3.40 0.22 5.22 5.36 0.46 -4.89 117.98 129.15 1ipi s PHE 101 Ca 0.06 0.30 0.10 0.00 -0.96 0.00 0.00 56.93 56.43 1ipi s PHE 101 Cb -0.15 -2.10 -0.05 0.00 -0.34 0.00 0.00 43.02 40.39 1ipi s PHE 101 CO 0.06 0.33 -0.18 0.95 -1.46 0.00 0.00 175.22 174.92 1ipi s THR 102 N 0.12 2.06 0.43 0.12 -4.23 -1.26 -1.34 115.64 111.54 1ipi s THR 102 Ca 0.08 -2.19 0.16 0.00 -1.18 0.00 0.00 61.69 58.56 1ipi s THR 102 Cb -0.11 -2.09 0.36 0.00 1.34 0.00 0.00 72.50 71.99 1ipi s THR 102 CO -0.01 -0.42 1.91 1.55 -0.54 0.00 0.00 174.62 177.12 1ipi h PRO 103 N 2.69 0.40 0.00 3.99 0.13 -1.95 -1.89 132.00 135.37 1ipi h PRO 103 Ca -0.41 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.61 1ipi h PRO 103 Cb 1.23 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1ipi h PRO 103 CO 0.57 0.26 -0.51 0.77 -0.23 0.00 0.00 178.00 178.87 1ipi h SER 104 N 0.41 0.00 0.62 1.44 0.02 -1.96 -3.15 113.55 110.93 1ipi h SER 104 Ca 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 1ipi h SER 104 Cb 0.88 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.42 1ipi h SER 104 CO -0.12 0.41 0.00 -1.54 -1.14 0.00 0.00 176.83 174.43 1ipi n SER 105 N -3.16 0.00 -4.84 3.07 3.41 -0.72 -4.82 113.62 106.57 1ipi n SER 105 Ca 0.01 0.13 -0.29 0.00 -0.26 0.00 0.00 58.87 58.46 1ipi n SER 105 Cb 0.70 -0.36 -0.04 0.00 -0.26 0.00 0.00 64.21 64.25 1ipi n SER 105 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ipi s GLY 106 N -2.73 2.67 0.34 5.00 0.00 -1.17 -4.95 107.32 106.48 1ipi s GLY 106 Ca 0.20 -0.88 0.09 0.00 0.00 0.00 0.00 44.72 44.13 1ipi s GLY 106 CO 0.42 -2.06 -0.08 -1.34 0.00 0.00 0.00 173.10 170.03 1ipi s VAL 107 N -2.81 2.12 0.73 1.40 -7.23 0.14 -4.80 120.40 109.96 1ipi s VAL 107 Ca 0.21 -2.18 -0.11 0.00 -1.81 0.00 0.00 61.98 58.09 1ipi s VAL 107 Cb -0.00 -2.63 0.03 0.00 0.56 0.00 0.00 36.38 34.34 1ipi s VAL 107 CO 0.13 -0.21 1.09 -0.94 -0.31 0.00 0.00 175.10 174.86 1ipi s SER 108 N -3.58 5.12 0.23 4.85 1.04 -1.26 -0.28 113.70 119.82 1ipi s SER 108 Ca 0.32 1.28 -0.07 0.00 0.48 0.00 0.00 55.95 57.97 1ipi s SER 108 Cb 0.03 -2.08 0.33 0.00 0.10 0.00 0.00 66.02 64.40 1ipi s SER 108 CO 0.16 -1.56 1.79 0.25 0.98 0.00 0.00 173.24 174.85 1ipi h LEU 109 N -0.81 0.53 -0.63 2.42 6.46 -1.97 -1.62 115.31 119.69 1ipi h LEU 109 Ca -0.46 0.05 0.06 0.00 -0.12 0.00 0.00 57.88 57.42 1ipi h LEU 109 Cb 1.25 -0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 41.08 1ipi h LEU 109 CO 0.61 0.31 0.33 -0.33 -0.62 0.00 0.00 178.44 178.74 1ipi h GLU 110 N 0.66 0.58 -0.14 1.25 3.07 -1.92 -1.63 114.58 116.46 1ipi h GLU 110 Ca 0.35 -0.04 -0.20 0.00 -0.50 0.00 0.00 59.36 58.98 1ipi h GLU 110 Cb 0.33 -0.13 0.01 0.00 -0.84 0.00 0.00 28.75 28.12 1ipi h GLU 110 CO -0.25 0.39 -0.69 -0.24 -1.40 0.00 0.00 179.01 176.82 1ipi h VAL 111 N 0.60 1.31 -0.96 3.13 3.04 -1.72 2.11 116.25 123.76 1ipi h VAL 111 Ca 0.29 -1.93 0.14 0.00 -1.01 0.00 0.00 66.70 64.20 1ipi h VAL 111 Cb 0.22 2.06 -0.09 0.00 -2.01 0.00 0.00 31.29 31.47 1ipi h VAL 111 CO -0.20 0.60 0.57 0.25 -1.01 0.00 0.00 177.57 177.78 1ipi h LEU 112 N 0.40 0.78 0.00 3.16 5.85 -1.03 -3.35 115.31 121.12 1ipi h LEU 112 Ca -0.05 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1ipi h LEU 112 Cb 1.33 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1ipi h LEU 112 CO 0.14 0.36 0.00 0.18 -0.34 0.00 0.00 178.44 178.79 1ipi n LEU 113 N -4.73 0.65 0.00 2.25 4.77 -0.64 -5.11 117.00 114.19 1ipi n LEU 113 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1ipi n LEU 113 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1ipi n LEU 113 CO 0.24 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.91