#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iub n THR 2 N 0.00 0.00 -0.45 0.52 -2.24 -1.25 -4.51 114.28 106.35 1iub n THR 2 Ca 0.00 -1.01 0.10 0.00 -2.27 0.00 0.00 64.05 60.88 1iub n THR 2 Cb 0.00 0.41 0.32 0.00 -2.10 0.00 0.00 70.33 68.96 1iub n THR 2 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1iub n GLU 3 N -0.34 3.09 -2.55 -0.78 1.02 -1.02 -4.69 120.64 115.37 1iub n GLU 3 Ca -0.00 -2.69 -0.43 0.00 -0.02 0.00 0.00 57.16 54.02 1iub n GLU 3 Cb 0.26 -1.65 -0.02 0.00 -0.02 0.00 0.00 31.44 30.00 1iub n GLU 3 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1iub s PHE 4 N -1.32 3.24 0.02 -0.32 5.36 -1.24 -1.61 117.98 122.13 1iub s PHE 4 Ca 0.47 1.32 -0.30 0.00 -0.96 0.00 0.00 56.93 57.46 1iub s PHE 4 Cb 0.27 -3.35 -0.05 0.00 -0.34 0.00 0.00 43.02 39.55 1iub s PHE 4 CO 0.28 -0.96 1.29 -1.17 -1.46 0.00 0.00 175.22 173.20 1iub s LEU 5 N 2.52 4.33 0.05 6.12 2.96 -0.69 -4.79 118.68 129.18 1iub s LEU 5 Ca 0.52 2.04 -0.31 0.00 -0.22 0.00 0.00 54.13 56.16 1iub s LEU 5 Cb -0.21 -3.57 -0.07 0.00 0.50 0.00 0.00 46.19 42.84 1iub s LEU 5 CO 0.17 -0.60 1.47 -0.47 -1.32 0.00 0.00 176.35 175.60 1iub s TYR 6 N 1.75 2.83 -0.43 5.38 5.04 -1.26 -1.73 117.35 128.92 1iub s TYR 6 Ca 0.60 0.71 0.00 0.00 -2.44 0.00 0.00 57.07 55.95 1iub s TYR 6 Cb -0.30 -3.75 0.00 0.00 0.35 0.00 0.00 41.96 38.26 1iub s TYR 6 CO 0.27 -2.82 0.00 0.25 -1.34 0.00 0.00 175.55 171.90 1iub n THR 7 N 4.51 -0.14 -2.22 4.34 -2.24 -1.26 -5.04 114.28 112.23 1iub n THR 7 Ca 0.13 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.54 1iub n THR 7 Cb 0.42 -0.97 -0.01 0.00 -2.10 0.00 0.00 70.33 67.67 1iub n THR 7 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1iub s SER 8 N -2.85 6.29 0.68 3.42 0.15 -0.70 -4.90 113.70 115.79 1iub s SER 8 Ca 0.00 2.39 -0.10 0.00 0.70 0.00 0.00 55.95 58.94 1iub s SER 8 Cb 0.00 -2.61 0.01 0.00 -1.71 0.00 0.00 66.02 61.71 1iub s SER 8 CO 0.00 -0.84 1.05 -0.54 1.20 0.00 0.00 173.24 174.11 1iub s LYS 9 N -2.49 2.85 0.08 5.44 3.01 -1.26 -4.50 119.74 122.87 1iub s LYS 9 Ca 0.60 0.34 0.04 0.00 -1.01 0.00 0.00 55.97 55.95 1iub s LYS 9 Cb -0.31 -2.08 -0.03 0.00 -1.01 0.00 0.00 37.83 34.40 1iub s LYS 9 CO 0.39 -0.97 -0.12 0.42 0.51 0.00 0.00 175.35 175.57 1iub s ILE 10 N -3.28 1.00 -0.01 2.17 1.01 -1.26 -4.29 121.20 116.54 1iub s ILE 10 Ca 0.57 -1.37 -0.01 0.00 0.00 0.00 0.00 60.65 59.84 1iub s ILE 10 Cb -0.11 -1.09 0.00 0.00 0.01 0.00 0.00 42.46 41.27 1iub s ILE 10 CO 0.50 -0.34 0.03 0.00 0.00 0.00 0.00 174.94 175.14 1iub s ALA 11 N -1.61 -0.08 0.00 9.38 0.00 -0.88 -4.61 121.76 123.97 1iub s ALA 11 Ca -0.01 0.08 -0.02 0.00 0.00 0.00 0.00 51.96 52.01 1iub s ALA 11 Cb -0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 1iub s ALA 11 CO 0.02 -0.02 0.03 0.00 0.00 0.00 0.00 175.76 175.79 1iub s ALA 12 N -0.02 -0.06 0.11 0.00 0.00 -1.26 -0.63 121.76 119.90 1iub s ALA 12 Ca -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 51.96 51.74 1iub s ALA 12 Cb -0.00 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1iub s ALA 12 CO 0.00 -0.11 0.04 0.96 0.00 0.00 0.00 175.76 176.65 1iub s ILE 13 N -0.83 0.13 0.02 0.00 -4.36 -0.44 -4.51 121.20 111.21 1iub s ILE 13 Ca -0.09 -1.89 -0.27 0.00 -0.26 0.00 0.00 60.65 58.13 1iub s ILE 13 Cb -0.06 -1.93 0.09 0.00 1.25 0.00 0.00 42.46 41.81 1iub s ILE 13 CO -0.00 -0.58 0.77 -0.94 0.24 0.00 0.00 174.94 174.43 1iub s SER 14 N -3.02 -0.49 -0.02 4.36 1.04 -1.26 -1.79 113.70 112.53 1iub s SER 14 Ca 0.20 0.18 -0.20 0.00 0.48 0.00 0.00 55.95 56.61 1iub s SER 14 Cb 0.08 0.47 0.04 0.00 0.10 0.00 0.00 66.02 66.71 1iub s SER 14 CO -0.01 -0.70 0.44 -1.66 0.98 0.00 0.00 173.24 172.29 1iub s TRP 15 N -2.72 -0.34 0.32 5.02 -2.14 -0.67 -4.70 118.94 113.70 1iub s TRP 15 Ca -0.00 0.53 -0.27 0.00 2.66 0.00 0.00 56.10 59.01 1iub s TRP 15 Cb -0.01 0.21 -0.09 0.00 -3.10 0.00 0.00 33.47 30.48 1iub s TRP 15 CO -0.06 -0.49 1.05 0.00 -2.66 0.00 0.00 176.95 174.80 1iub s ALA 16 N -1.46 3.28 -0.04 2.67 0.00 -1.26 -1.40 121.76 123.54 1iub s ALA 16 Ca -0.12 0.77 -0.12 0.00 0.00 0.00 0.00 51.96 52.49 1iub s ALA 16 Cb -0.03 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.83 1iub s ALA 16 CO 0.05 -0.10 0.28 0.00 0.00 0.00 0.00 175.76 175.99 1iub s ALA 17 N -1.36 -0.70 -0.08 0.00 0.00 -1.22 -4.89 121.76 113.52 1iub s ALA 17 Ca 0.49 0.43 -0.29 0.00 0.00 0.00 0.00 51.96 52.58 1iub s ALA 17 Cb -0.27 -0.11 -0.07 0.00 0.00 0.00 0.00 23.12 22.67 1iub s ALA 17 CO 0.34 -0.21 2.09 0.25 0.00 0.00 0.00 175.76 178.23 1iub n THR 18 N 1.86 0.58 0.00 0.00 -2.24 -1.26 -1.10 114.28 112.12 1iub n THR 18 Ca -0.19 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1iub n THR 18 Cb 0.57 -2.44 0.00 0.00 -2.10 0.00 0.00 70.33 66.36 1iub n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iub n GLY 19 N 5.11 0.95 0.00 3.38 0.00 -1.26 -5.04 105.19 108.32 1iub n GLY 19 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1iub n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iub n GLY 20 N -1.13 4.12 3.74 -0.02 0.00 -0.25 -4.65 105.19 106.99 1iub n GLY 20 Ca 0.00 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 1iub n GLY 20 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1iub s ARG 21 N -3.97 4.19 -0.16 1.61 3.52 -1.26 -3.38 118.95 119.50 1iub s ARG 21 Ca 0.00 2.45 -0.06 0.00 -0.13 0.00 0.00 55.73 58.00 1iub s ARG 21 Cb 0.00 -3.08 -0.04 0.00 -1.56 0.00 0.00 34.95 30.28 1iub s ARG 21 CO 0.00 -0.57 0.03 -0.65 -0.81 0.00 0.00 175.30 173.30 1iub s GLN 22 N -0.06 3.78 0.06 5.12 -1.52 -0.50 -0.15 119.66 126.39 1iub s GLN 22 Ca 0.64 -0.39 0.05 0.00 -1.95 0.00 0.00 55.36 53.71 1iub s GLN 22 Cb -0.45 -3.08 -0.03 0.00 -0.22 0.00 0.00 33.01 29.23 1iub s GLN 22 CO 0.42 0.33 -0.14 -0.65 -0.25 0.00 0.00 175.29 174.99 1iub s GLN 23 N 0.19 0.87 -0.01 2.91 -0.21 0.14 -1.67 119.66 121.88 1iub s GLN 23 Ca 0.02 -0.89 0.01 0.00 0.02 0.00 0.00 55.36 54.52 1iub s GLN 23 Cb -0.13 -0.89 0.01 0.00 1.00 0.00 0.00 33.01 33.00 1iub s GLN 23 CO 0.01 0.21 -0.02 1.03 -2.12 0.00 0.00 175.29 174.40 1iub s ARG 24 N -1.52 0.25 -0.01 2.91 1.81 -0.74 -0.63 118.95 121.03 1iub s ARG 24 Ca -0.00 -0.06 0.05 0.00 -1.72 0.00 0.00 55.73 54.00 1iub s ARG 24 Cb -0.09 -0.30 -0.01 0.00 -0.45 0.00 0.00 34.95 34.10 1iub s ARG 24 CO 0.02 0.01 -0.17 0.08 -0.68 0.00 0.00 175.30 174.56 1iub s VAL 25 N 0.22 1.30 -0.05 3.52 1.01 -0.41 -1.33 120.40 124.67 1iub s VAL 25 Ca -0.02 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.30 1iub s VAL 25 Cb -0.05 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 1iub s VAL 25 CO -0.01 0.35 -0.24 -0.31 0.00 0.00 0.00 175.10 174.89 1iub s TYR 26 N -0.41 2.43 0.21 5.22 1.51 0.19 -1.04 117.35 125.46 1iub s TYR 26 Ca 0.06 -0.59 -0.16 0.00 -1.01 0.00 0.00 57.07 55.37 1iub s TYR 26 Cb -0.06 -1.58 0.02 0.00 -0.11 0.00 0.00 41.96 40.23 1iub s TYR 26 CO -0.00 -0.13 0.50 -0.59 -1.11 0.00 0.00 175.55 174.22 1iub s PHE 27 N -0.34 0.02 -0.07 2.71 -0.12 -0.94 -2.08 117.98 117.16 1iub s PHE 27 Ca 0.02 -0.38 -0.04 0.00 -0.05 0.00 0.00 56.93 56.48 1iub s PHE 27 Cb -0.12 0.33 -0.04 0.00 -0.63 0.00 0.00 43.02 42.56 1iub s PHE 27 CO 0.02 -0.93 0.12 -1.14 -0.05 0.00 0.00 175.22 173.24 1iub s GLN 28 N -3.91 3.32 0.63 1.99 0.74 -1.26 -0.39 119.66 120.78 1iub s GLN 28 Ca 0.13 -0.26 0.06 0.00 0.05 0.00 0.00 55.36 55.33 1iub s GLN 28 Cb -0.01 -3.06 0.11 0.00 1.10 0.00 0.00 33.01 31.14 1iub s GLN 28 CO 0.00 0.73 0.87 0.16 -0.55 0.00 0.00 175.29 176.50 1iub s ASP 29 N -1.30 4.80 0.62 6.67 1.47 -0.33 -1.70 116.67 126.91 1iub s ASP 29 Ca 0.18 -0.71 0.34 0.00 1.18 0.00 0.00 52.55 53.54 1iub s ASP 29 Cb -0.12 0.24 1.90 0.00 -0.34 0.00 0.00 42.92 44.60 1iub s ASP 29 CO 0.08 -1.55 2.18 -0.07 0.68 0.00 0.00 175.17 176.49 1iub h LEU 30 N -0.09 0.00 -1.20 2.11 3.38 -1.61 -1.51 115.31 116.39 1iub h LEU 30 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1iub h LEU 30 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1iub h LEU 30 CO 0.40 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.52 1iub n ASN 31 N -3.47 1.86 0.00 -0.43 5.03 -1.26 -4.94 115.26 112.05 1iub n ASN 31 Ca -0.01 -1.64 0.00 0.00 0.87 0.00 0.00 54.58 53.80 1iub n ASN 31 Cb 0.22 -0.03 0.00 0.00 -1.02 0.00 0.00 39.78 38.95 1iub n ASN 31 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1iub n GLY 32 N 1.21 0.76 3.77 7.41 0.00 -0.57 -5.01 105.19 112.77 1iub n GLY 32 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1iub n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iub s LYS 33 N -0.49 4.64 -0.23 1.61 3.01 -1.26 -2.23 119.74 124.79 1iub s LYS 33 Ca 0.00 1.30 -0.18 0.00 -1.01 0.00 0.00 55.97 56.08 1iub s LYS 33 Cb 0.00 -3.05 -0.03 0.00 -1.01 0.00 0.00 37.83 33.74 1iub s LYS 33 CO 0.00 0.42 0.52 0.42 0.51 0.00 0.00 175.35 177.22 1iub s ILE 34 N -1.38 5.09 0.28 2.17 -1.09 0.79 -1.18 121.20 125.88 1iub s ILE 34 Ca 0.44 0.93 0.08 0.00 -2.23 0.00 0.00 60.65 59.87 1iub s ILE 34 Cb -0.22 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 36.79 1iub s ILE 34 CO 0.27 0.13 0.16 -0.13 -1.23 0.00 0.00 174.94 174.14 1iub s ARG 35 N 1.96 2.68 -0.03 2.79 0.52 0.48 -1.23 118.95 126.11 1iub s ARG 35 Ca 0.23 -1.24 0.05 0.00 -0.52 0.00 0.00 55.73 54.25 1iub s ARG 35 Cb -0.15 -2.41 -0.01 0.00 0.52 0.00 0.00 34.95 32.90 1iub s ARG 35 CO 0.09 0.30 -0.19 -2.00 0.02 0.00 0.00 175.30 173.52 1iub s GLU 36 N -3.83 1.73 0.09 3.54 2.12 -0.21 -2.21 118.70 119.92 1iub s GLU 36 Ca 0.35 -0.67 0.10 0.00 0.36 0.00 0.00 54.97 55.11 1iub s GLU 36 Cb -0.06 -1.57 -0.03 0.00 0.26 0.00 0.00 34.13 32.72 1iub s GLU 36 CO 0.24 0.34 -0.26 0.00 -0.54 0.00 0.00 175.26 175.03 1iub s ALA 37 N -0.21 2.27 0.13 6.30 0.00 -0.20 -0.85 121.76 129.20 1iub s ALA 37 Ca 0.02 -1.36 0.08 0.00 0.00 0.00 0.00 51.96 50.70 1iub s ALA 37 Cb -0.10 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 1iub s ALA 37 CO 0.01 0.52 -0.19 -0.65 0.00 0.00 0.00 175.76 175.46 1iub s GLN 38 N -1.66 1.16 -0.07 0.00 1.11 0.05 -1.29 119.66 118.96 1iub s GLN 38 Ca 0.12 -1.27 -0.04 0.00 0.01 0.00 0.00 55.36 54.18 1iub s GLN 38 Cb -0.10 -1.28 0.03 0.00 -1.01 0.00 0.00 33.01 30.66 1iub s GLN 38 CO 0.04 0.27 0.17 0.50 0.01 0.00 0.00 175.29 176.28 1iub s ARG 39 N -2.38 0.14 -0.19 2.91 3.52 0.19 -0.83 118.95 122.32 1iub s ARG 39 Ca 0.10 0.35 0.00 0.00 -0.13 0.00 0.00 55.73 56.05 1iub s ARG 39 Cb -0.07 -0.08 0.01 0.00 -1.56 0.00 0.00 34.95 33.25 1iub s ARG 39 CO 0.05 -0.12 -0.17 0.20 -0.81 0.00 0.00 175.30 174.46 1iub s GLY 40 N 0.82 1.44 0.00 8.12 0.00 -1.26 0.25 107.32 116.69 1iub s GLY 40 Ca -0.06 -1.20 0.00 0.00 0.00 0.00 0.00 44.72 43.46 1iub s GLY 40 CO -0.04 0.29 0.00 0.61 0.00 0.00 0.00 173.10 173.96 1iub n GLY 41 N 4.61 3.24 0.61 0.20 0.00 0.78 -2.54 105.19 112.09 1iub n GLY 41 Ca -0.20 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 45.67 1iub n GLY 41 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iub n ASP 42 N 2.63 2.19 -4.51 1.61 8.00 -1.26 -4.77 116.55 120.44 1iub n ASP 42 Ca 0.00 -1.60 -0.32 0.00 0.71 0.00 0.00 54.79 53.58 1iub n ASP 42 Cb 0.00 0.27 0.15 0.00 -0.02 0.00 0.00 41.12 41.52 1iub n ASP 42 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1iub n ASN 43 N 0.34 -1.14 -4.75 -2.24 3.02 -1.05 -4.92 115.26 104.51 1iub n ASN 43 Ca 0.12 0.31 -0.36 0.00 -0.03 0.00 0.00 54.58 54.61 1iub n ASN 43 Cb 0.49 -1.30 0.04 0.00 -0.61 0.00 0.00 39.78 38.40 1iub n ASN 43 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 1iub s PRO 44 N -4.06 2.91 0.50 3.52 0.02 -1.26 -4.67 135.00 131.95 1iub s PRO 44 Ca 0.61 1.84 -0.23 0.00 0.02 0.00 0.00 61.00 63.24 1iub s PRO 44 Cb -0.22 -1.92 -0.06 0.00 0.02 0.00 0.00 34.50 32.32 1iub s PRO 44 CO 0.64 -1.26 1.30 -1.58 -0.33 0.00 0.00 177.00 175.77 1iub s TRP 45 N -1.60 2.53 0.39 6.54 0.52 -1.26 -4.77 118.94 121.29 1iub s TRP 45 Ca 0.78 1.42 0.05 0.00 0.02 0.00 0.00 56.10 58.36 1iub s TRP 45 Cb -0.31 -3.67 -0.06 0.00 -1.15 0.00 0.00 33.47 28.28 1iub s TRP 45 CO 0.34 -2.41 0.04 0.95 0.02 0.00 0.00 176.95 175.89 1iub s THR 46 N -1.36 1.46 0.00 2.01 -4.23 -0.01 -4.80 115.64 108.71 1iub s THR 46 Ca 0.67 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.18 1iub s THR 46 Cb -0.37 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 70.70 1iub s THR 46 CO 0.45 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.14 1iub n GLY 47 N -0.88 -0.44 2.92 3.99 0.00 -1.26 -0.77 105.19 108.73 1iub n GLY 47 Ca -0.06 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1iub n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iub n GLY 48 N 0.00 0.71 4.02 -0.02 0.00 -0.03 -4.73 105.19 105.13 1iub n GLY 48 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1iub n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1iub s SER 49 N -2.60 4.92 0.14 1.61 1.04 -1.26 -3.34 113.70 114.22 1iub s SER 49 Ca 0.00 -0.64 0.13 0.00 0.48 0.00 0.00 55.95 55.92 1iub s SER 49 Cb 0.00 0.08 0.62 0.00 0.10 0.00 0.00 66.02 66.83 1iub s SER 49 CO 0.00 -1.45 1.39 -1.54 0.98 0.00 0.00 173.24 172.62 1iub n SER 50 N -2.39 0.28 -0.03 7.02 3.41 -1.26 -0.36 113.62 120.29 1iub n SER 50 Ca 0.15 0.61 0.13 0.00 -0.26 0.00 0.00 58.87 59.50 1iub n SER 50 Cb 0.61 -0.66 0.44 0.00 -0.26 0.00 0.00 64.21 64.35 1iub n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iub n GLN 51 N -1.86 0.13 -1.33 4.33 1.13 -1.26 -3.89 117.38 114.63 1iub n GLN 51 Ca 0.00 -0.05 -0.20 0.00 -1.94 0.00 0.00 57.00 54.81 1iub n GLN 51 Cb 0.07 -1.50 0.12 0.00 0.11 0.00 0.00 30.24 29.03 1iub n GLN 51 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1iub n ASN 52 N -1.39 4.66 -4.71 1.08 3.02 0.51 -4.98 115.26 113.44 1iub n ASN 52 Ca 0.08 -3.77 -0.40 0.00 -0.03 0.00 0.00 54.58 50.46 1iub n ASN 52 Cb 0.33 -0.66 -0.04 0.00 -0.61 0.00 0.00 39.78 38.79 1iub n ASN 52 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1iub s VAL 53 N -4.06 5.00 -0.40 2.41 1.01 -1.25 -1.05 120.40 122.06 1iub s VAL 53 Ca 0.53 1.61 0.12 0.00 0.00 0.00 0.00 61.98 64.24 1iub s VAL 53 Cb 0.44 -4.11 -0.15 0.00 0.00 0.00 0.00 36.38 32.56 1iub s VAL 53 CO 0.02 0.22 0.44 2.30 0.00 0.00 0.00 175.10 178.08 1iub n ILE 54 N 3.84 0.00 -3.47 2.22 -5.35 -0.37 -4.99 119.36 111.25 1iub n ILE 54 Ca 0.01 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 1iub n ILE 54 Cb 0.51 0.76 0.00 0.00 -1.74 0.00 0.00 39.64 39.17 1iub n ILE 54 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1iub n GLY 55 N 1.44 -1.16 3.22 3.28 0.00 -1.22 -4.91 105.19 105.83 1iub n GLY 55 Ca 0.01 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 1iub n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1iub s GLU 56 N -0.94 1.03 0.28 1.61 2.12 -1.26 -0.15 118.70 121.39 1iub s GLU 56 Ca 0.00 -1.47 -0.21 0.00 0.36 0.00 0.00 54.97 53.65 1iub s GLU 56 Cb 0.00 -0.26 0.02 0.00 0.26 0.00 0.00 34.13 34.15 1iub s GLU 56 CO 0.00 -0.09 0.72 0.00 -0.54 0.00 0.00 175.26 175.35 1iub s ALA 57 N -3.64 -1.22 0.84 6.30 0.00 -0.95 -4.85 121.76 118.25 1iub s ALA 57 Ca 0.20 -0.31 -0.12 0.00 0.00 0.00 0.00 51.96 51.73 1iub s ALA 57 Cb 0.06 0.85 0.10 0.00 0.00 0.00 0.00 23.12 24.13 1iub s ALA 57 CO 0.01 -1.04 1.19 -1.59 0.00 0.00 0.00 175.76 174.34 1iub s LYS 58 N -3.89 1.41 0.25 0.00 -2.85 -0.52 -4.71 119.74 109.42 1iub s LYS 58 Ca 0.11 1.71 -0.30 0.00 -1.00 0.00 0.00 55.97 56.49 1iub s LYS 58 Cb -0.06 -1.75 -0.10 0.00 -2.06 0.00 0.00 37.83 33.86 1iub s LYS 58 CO 0.07 -2.38 1.42 -0.51 0.10 0.00 0.00 175.35 174.05 1iub s LEU 59 N -6.01 4.39 -0.97 2.77 1.43 -1.26 -2.35 118.68 116.68 1iub s LEU 59 Ca 0.71 2.65 0.00 0.00 -1.03 0.00 0.00 54.13 56.46 1iub s LEU 59 Cb -0.27 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.32 1iub s LEU 59 CO 0.53 -0.68 0.00 0.49 0.23 0.00 0.00 176.35 176.92 1iub n PHE 60 N 2.25 -0.21 -2.00 0.29 3.01 -1.26 -4.98 117.46 114.56 1iub n PHE 60 Ca 0.06 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.12 1iub n PHE 60 Cb 0.41 -2.15 -0.01 0.00 -0.01 0.00 0.00 39.48 37.72 1iub n PHE 60 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1iub s SER 61 N -2.74 6.41 0.85 4.37 0.15 -0.99 -4.84 113.70 116.91 1iub s SER 61 Ca 0.00 2.77 -0.11 0.00 0.70 0.00 0.00 55.95 59.31 1iub s SER 61 Cb 0.00 -2.65 0.10 0.00 -1.71 0.00 0.00 66.02 61.76 1iub s SER 61 CO 0.00 -0.79 1.10 -2.16 1.20 0.00 0.00 173.24 172.58 1iub s PRO 62 N -2.10 1.62 0.01 5.44 0.04 -1.26 -4.30 135.00 134.45 1iub s PRO 62 Ca 0.54 1.07 -0.06 0.00 0.04 0.00 0.00 61.00 62.59 1iub s PRO 62 Cb -0.41 -1.83 -0.00 0.00 0.04 0.00 0.00 34.50 32.30 1iub s PRO 62 CO 0.54 -2.06 0.11 -0.51 0.04 0.00 0.00 177.00 175.12 1iub s LEU 63 N -6.16 1.66 0.04 -3.56 1.43 -1.26 -4.31 118.68 106.52 1iub s LEU 63 Ca 0.63 -0.28 -0.25 0.00 -1.03 0.00 0.00 54.13 53.20 1iub s LEU 63 Cb -0.18 0.61 0.06 0.00 0.03 0.00 0.00 46.19 46.70 1iub s LEU 63 CO 0.57 -0.38 0.57 0.00 0.23 0.00 0.00 176.35 177.34 1iub s ALA 64 N -1.55 -1.48 -0.03 4.21 0.00 -1.06 -4.52 121.76 117.33 1iub s ALA 64 Ca -0.14 0.77 -0.19 0.00 0.00 0.00 0.00 51.96 52.39 1iub s ALA 64 Cb -0.07 0.37 0.04 0.00 0.00 0.00 0.00 23.12 23.45 1iub s ALA 64 CO 0.01 -0.51 0.42 0.00 0.00 0.00 0.00 175.76 175.67 1iub s ALA 65 N -2.33 -1.08 0.06 0.00 0.00 -1.26 -0.69 121.76 116.46 1iub s ALA 65 Ca -0.06 0.65 -0.02 0.00 0.00 0.00 0.00 51.96 52.53 1iub s ALA 65 Cb -0.01 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 1iub s ALA 65 CO -0.01 -0.29 -0.00 0.14 0.00 0.00 0.00 175.76 175.60 1iub s VAL 66 N -1.22 0.21 0.08 0.00 -7.23 -0.60 -4.82 120.40 106.81 1iub s VAL 66 Ca -0.12 -1.74 -0.14 0.00 -1.81 0.00 0.00 61.98 58.17 1iub s VAL 66 Cb -0.04 -1.52 0.02 0.00 0.56 0.00 0.00 36.38 35.41 1iub s VAL 66 CO 0.06 -0.94 0.33 0.28 -0.31 0.00 0.00 175.10 174.52 1iub s THR 67 N -3.92 0.09 0.15 5.32 -1.32 -1.26 -1.52 115.64 113.17 1iub s THR 67 Ca 0.07 -0.71 -0.24 0.00 -1.21 0.00 0.00 61.69 59.60 1iub s THR 67 Cb 0.08 -1.10 0.07 0.00 -1.51 0.00 0.00 72.50 70.03 1iub s THR 67 CO -0.10 -0.39 0.74 -1.66 -2.21 0.00 0.00 174.62 171.00 1iub s TRP 68 N -3.26 -0.36 -0.07 9.09 -2.14 -0.89 -4.98 118.94 116.33 1iub s TRP 68 Ca -0.00 0.10 -0.06 0.00 2.66 0.00 0.00 56.10 58.80 1iub s TRP 68 Cb 0.01 0.60 -0.04 0.00 -3.10 0.00 0.00 33.47 30.94 1iub s TRP 68 CO -0.08 -0.86 0.17 0.15 -2.66 0.00 0.00 176.95 173.68 1iub s LYS 69 N -3.57 3.47 0.36 3.25 1.02 -1.26 -0.91 119.74 122.09 1iub s LYS 69 Ca 0.06 -0.16 0.07 0.00 0.02 0.00 0.00 55.97 55.95 1iub s LYS 69 Cb -0.02 -3.15 -0.03 0.00 -0.52 0.00 0.00 37.83 34.11 1iub s LYS 69 CO -0.06 0.73 0.25 -1.54 -0.92 0.00 0.00 175.35 173.82 1iub s SER 70 N -1.37 2.06 0.29 2.83 1.04 -0.11 -3.15 113.70 115.30 1iub s SER 70 Ca 0.20 -1.77 -0.01 0.00 0.48 0.00 0.00 55.95 54.85 1iub s SER 70 Cb -0.12 0.58 0.44 0.00 0.10 0.00 0.00 66.02 67.02 1iub s SER 70 CO 0.10 -1.06 1.86 0.00 0.98 0.00 0.00 173.24 175.12 1iub h ALA 71 N 2.01 1.28 0.00 5.32 0.00 -1.77 -2.01 119.26 124.09 1iub h ALA 71 Ca -0.27 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1iub h ALA 71 Cb 1.24 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1iub h ALA 71 CO 0.40 0.52 0.00 1.96 0.00 0.00 0.00 179.25 182.13 1iub h GLN 72 N 0.81 0.00 0.00 0.00 4.20 -1.93 -3.49 115.11 114.69 1iub h GLN 72 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1iub h GLN 72 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1iub h GLN 72 CO -0.01 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.56 1iub n GLY 73 N 0.37 0.68 3.70 3.46 0.00 -0.76 -4.63 105.19 108.01 1iub n GLY 73 Ca 0.02 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 1iub n GLY 73 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iub s ILE 74 N -1.93 4.07 -0.18 -0.61 -1.09 -1.26 -0.93 121.20 119.27 1iub s ILE 74 Ca 0.00 1.45 -0.07 0.00 -2.23 0.00 0.00 60.65 59.79 1iub s ILE 74 Cb 0.00 -3.93 -0.04 0.00 -1.58 0.00 0.00 42.46 36.91 1iub s ILE 74 CO 0.00 0.04 0.06 -1.10 -1.23 0.00 0.00 174.94 172.71 1iub s GLN 75 N 1.81 3.95 -0.02 2.79 -1.52 -0.09 -2.40 119.66 124.18 1iub s GLN 75 Ca 0.58 -0.36 0.03 0.00 -1.95 0.00 0.00 55.36 53.67 1iub s GLN 75 Cb -0.28 -3.20 -0.00 0.00 -0.22 0.00 0.00 33.01 29.31 1iub s GLN 75 CO 0.25 0.27 -0.12 0.42 -0.25 0.00 0.00 175.29 175.86 1iub s ILE 76 N 0.38 0.97 -0.10 1.08 1.01 -0.71 -2.10 121.20 121.73 1iub s ILE 76 Ca 0.03 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.20 1iub s ILE 76 Cb -0.12 -0.83 0.01 0.00 0.01 0.00 0.00 42.46 41.53 1iub s ILE 76 CO 0.00 0.28 -0.16 -0.13 0.00 0.00 0.00 174.94 174.94 1iub s ARG 77 N -0.09 2.27 -0.10 2.79 1.81 -0.58 0.01 118.95 125.06 1iub s ARG 77 Ca 0.01 -0.59 0.03 0.00 -1.72 0.00 0.00 55.73 53.46 1iub s ARG 77 Cb -0.07 -1.87 -0.01 0.00 -0.45 0.00 0.00 34.95 32.55 1iub s ARG 77 CO 0.00 -0.01 -0.20 0.08 -0.68 0.00 0.00 175.30 174.50 1iub s VAL 78 N 0.82 2.49 -0.05 3.52 1.01 -0.23 -1.56 120.40 126.40 1iub s VAL 78 Ca -0.10 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.01 1iub s VAL 78 Cb -0.16 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 1iub s VAL 78 CO 0.01 0.55 -0.05 -0.31 0.00 0.00 0.00 175.10 175.30 1iub s TYR 79 N 0.19 2.98 0.25 5.22 1.51 0.13 -0.39 117.35 127.24 1iub s TYR 79 Ca -0.12 0.04 -0.21 0.00 -1.01 0.00 0.00 57.07 55.78 1iub s TYR 79 Cb -0.16 -1.69 0.06 0.00 -0.11 0.00 0.00 41.96 40.05 1iub s TYR 79 CO 0.06 0.38 0.90 0.00 -1.11 0.00 0.00 175.55 175.78 1iub s VAL 81 N -2.73 2.08 0.54 0.00 -7.23 -1.26 -0.06 120.40 111.75 1iub s VAL 81 Ca 0.16 -1.89 -0.02 0.00 -1.81 0.00 0.00 61.98 58.43 1iub s VAL 81 Cb -0.04 -1.93 0.11 0.00 0.56 0.00 0.00 36.38 35.08 1iub s VAL 81 CO 0.07 -0.14 0.74 -0.46 -0.31 0.00 0.00 175.10 175.00 1iub n ASN 82 N 0.49 0.84 0.04 4.85 0.23 -0.88 -1.43 115.26 119.40 1iub n ASN 82 Ca -0.15 -1.75 0.04 0.00 -0.53 0.00 0.00 54.58 52.19 1iub n ASN 82 Cb 0.56 -0.50 0.19 0.00 -2.08 0.00 0.00 39.78 37.95 1iub n ASN 82 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1iub n LYS 83 N -2.41 0.04 -0.37 -3.83 5.02 -1.26 -0.30 118.16 115.04 1iub n LYS 83 Ca 0.12 0.48 0.08 0.00 -2.02 0.00 0.00 58.31 56.97 1iub n LYS 83 Cb 0.42 -1.61 0.26 0.00 -0.02 0.00 0.00 35.03 34.08 1iub n LYS 83 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1iub n ASP 84 N -1.68 3.77 -2.78 4.39 9.92 -1.26 -4.95 116.55 123.96 1iub n ASP 84 Ca 0.00 -2.28 -0.20 0.00 -0.53 0.00 0.00 54.79 51.78 1iub n ASP 84 Cb 0.05 -0.42 0.04 0.00 -0.64 0.00 0.00 41.12 40.14 1iub n ASP 84 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1iub n ASN 85 N 0.73 -5.68 -4.67 -2.24 3.02 0.59 -4.89 115.26 102.12 1iub n ASN 85 Ca 0.19 -0.29 -0.37 0.00 -0.03 0.00 0.00 54.58 54.09 1iub n ASN 85 Cb 0.66 -4.47 -0.09 0.00 -0.61 0.00 0.00 39.78 35.27 1iub n ASN 85 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1iub s ILE 86 N -3.14 5.33 0.13 2.41 1.01 -1.26 -0.92 121.20 124.77 1iub s ILE 86 Ca 0.31 0.29 -0.31 0.00 0.00 0.00 0.00 60.65 60.94 1iub s ILE 86 Cb -0.14 -3.54 -0.10 0.00 0.01 0.00 0.00 42.46 38.69 1iub s ILE 86 CO 0.38 0.34 1.80 -0.22 0.00 0.00 0.00 174.94 177.24 1iub s LEU 87 N 1.02 4.39 0.28 2.97 2.96 0.00 -2.06 118.68 128.25 1iub s LEU 87 Ca 0.10 2.75 0.03 0.00 -0.22 0.00 0.00 54.13 56.79 1iub s LEU 87 Cb -0.13 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 42.93 1iub s LEU 87 CO 0.04 -0.99 0.06 -0.44 -1.32 0.00 0.00 176.35 173.71 1iub s SER 88 N 2.47 1.80 -0.03 3.68 0.01 0.92 -3.80 113.70 118.75 1iub s SER 88 Ca 0.79 -1.35 -0.02 0.00 1.31 0.00 0.00 55.95 56.68 1iub s SER 88 Cb -0.46 0.03 0.02 0.00 0.21 0.00 0.00 66.02 65.82 1iub s SER 88 CO 0.35 -0.64 0.07 -0.70 0.41 0.00 0.00 173.24 172.73 1iub s GLU 89 N -3.94 0.04 -0.09 12.44 2.12 -1.26 -2.30 118.70 125.71 1iub s GLU 89 Ca 0.36 0.19 -0.03 0.00 0.36 0.00 0.00 54.97 55.84 1iub s GLU 89 Cb 0.08 -0.10 -0.04 0.00 0.26 0.00 0.00 34.13 34.33 1iub s GLU 89 CO 0.14 -0.09 0.04 -0.06 -0.54 0.00 0.00 175.26 174.74 1iub s PHE 90 N 0.62 3.27 -0.11 5.30 2.99 0.47 -0.28 117.98 130.25 1iub s PHE 90 Ca -0.05 0.27 0.04 0.00 0.00 0.00 0.00 56.93 57.19 1iub s PHE 90 Cb -0.07 -1.82 0.00 0.00 0.00 0.00 0.00 43.02 41.14 1iub s PHE 90 CO -0.02 0.54 -0.23 0.08 -0.00 0.00 0.00 175.22 175.58 1iub s VAL 91 N -0.95 2.07 -0.36 -0.44 1.01 0.26 -1.06 120.40 120.92 1iub s VAL 91 Ca 0.14 -1.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.03 1iub s VAL 91 Cb -0.12 -1.79 0.04 0.00 0.00 0.00 0.00 36.38 34.51 1iub s VAL 91 CO 0.04 0.56 0.17 -0.47 0.00 0.00 0.00 175.10 175.39 1iub s TYR 92 N 0.46 3.26 -1.44 5.22 5.04 0.10 -0.57 117.35 129.43 1iub s TYR 92 Ca -0.16 -1.25 0.06 0.00 -2.44 0.00 0.00 57.07 53.28 1iub s TYR 92 Cb -0.17 -2.43 0.22 0.00 0.35 0.00 0.00 41.96 39.93 1iub s TYR 92 CO 0.06 -0.71 1.04 -0.40 -1.34 0.00 0.00 175.55 174.20 1iub n ASP 93 N 4.90 1.78 0.00 4.32 5.68 -0.71 -1.74 116.55 130.78 1iub n ASP 93 Ca -0.12 -2.13 0.00 0.00 -0.50 0.00 0.00 54.79 52.04 1iub n ASP 93 Cb 0.45 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 1iub n ASP 93 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1iub n GLY 94 N 0.56 2.79 0.00 6.12 0.00 -1.01 -4.68 105.19 108.97 1iub n GLY 94 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1iub n GLY 94 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iub n SER 95 N 0.00 0.00 -3.91 1.61 3.41 -1.26 -4.56 113.62 108.90 1iub n SER 95 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 1iub n SER 95 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1iub n SER 95 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1iub s LYS 96 N -0.69 1.16 -0.15 4.33 -2.85 -1.26 -5.15 119.74 115.13 1iub s LYS 96 Ca 0.00 -1.10 -0.16 0.00 -1.00 0.00 0.00 55.97 53.71 1iub s LYS 96 Cb 0.00 0.40 -0.04 0.00 -2.06 0.00 0.00 37.83 36.12 1iub s LYS 96 CO 0.00 -0.44 0.37 -1.58 0.10 0.00 0.00 175.35 173.81 1iub s TRP 97 N -3.94 3.47 0.10 1.78 0.52 -1.26 -1.73 118.94 117.87 1iub s TRP 97 Ca 0.15 0.70 0.02 0.00 0.02 0.00 0.00 56.10 56.98 1iub s TRP 97 Cb 0.03 -2.44 -0.01 0.00 -1.15 0.00 0.00 33.47 29.90 1iub s TRP 97 CO -0.01 0.18 0.10 0.44 0.02 0.00 0.00 176.95 177.67 1iub n ILE 98 N 3.71 0.00 -4.11 2.03 -5.35 0.27 -4.98 119.36 110.93 1iub n ILE 98 Ca -0.10 -0.66 -0.35 0.00 -0.27 0.00 0.00 62.75 61.37 1iub n ILE 98 Cb 0.52 0.34 -0.08 0.00 -1.74 0.00 0.00 39.64 38.68 1iub n ILE 98 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 1iub s THR 99 N -2.42 4.83 0.86 7.28 2.01 -1.26 -0.57 115.64 126.37 1iub s THR 99 Ca 0.11 -0.04 -0.12 0.00 0.31 0.00 0.00 61.69 61.95 1iub s THR 99 Cb 0.00 -3.10 0.15 0.00 0.01 0.00 0.00 72.50 69.56 1iub s THR 99 CO 0.08 0.57 1.21 -0.83 -0.69 0.00 0.00 174.62 174.95 1iub s GLY 100 N -0.55 1.73 0.20 4.40 0.00 0.62 -4.80 107.32 108.91 1iub s GLY 100 Ca 0.11 -1.15 0.26 0.00 0.00 0.00 0.00 44.72 43.94 1iub s GLY 100 CO 0.02 -0.51 1.73 -1.06 0.00 0.00 0.00 173.10 173.28 1iub n GLN 101 N -3.43 0.27 -0.13 2.90 1.13 -1.26 -4.16 117.38 112.68 1iub n GLN 101 Ca 0.13 0.20 0.05 0.00 -1.94 0.00 0.00 57.00 55.45 1iub n GLN 101 Cb 0.60 -1.79 0.37 0.00 0.11 0.00 0.00 30.24 29.52 1iub n GLN 101 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1iub h LEU 102 N 0.00 0.62 -0.70 1.08 5.85 -1.91 -2.54 115.31 117.71 1iub h LEU 102 Ca 0.00 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.77 1iub h LEU 102 Cb 0.74 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 1iub h LEU 102 CO 0.00 0.42 0.40 1.23 -0.34 0.00 0.00 178.44 180.15 1iub h GLY 103 N 0.71 1.03 2.00 3.75 0.00 -1.72 -1.51 103.07 107.33 1iub h GLY 103 Ca 0.26 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1iub h GLY 103 CO -0.08 0.18 0.00 1.48 0.00 0.00 0.00 176.54 178.12 1iub h SER 104 N 0.73 0.00 1.15 0.19 4.64 -1.74 -1.20 113.55 117.33 1iub h SER 104 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1iub h SER 104 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1iub h SER 104 CO -0.18 0.00 0.00 0.58 -0.87 0.00 0.00 176.83 176.36 1iub h VAL 105 N 0.00 0.00 -2.51 0.95 2.07 -1.35 -3.47 116.25 111.94 1iub h VAL 105 Ca 0.00 -0.53 -0.22 0.00 0.82 0.00 0.00 66.70 66.77 1iub h VAL 105 Cb 0.11 1.47 0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1iub h VAL 105 CO 0.00 0.00 -0.33 0.61 0.02 0.00 0.00 177.57 177.87 1iub n GLY 106 N 0.29 0.00 3.69 2.17 0.00 -0.45 -4.99 105.19 105.91 1iub n GLY 106 Ca 0.02 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 1iub n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iub s VAL 107 N -2.84 4.26 -0.20 1.61 1.01 -1.26 -4.96 120.40 118.03 1iub s VAL 107 Ca 0.14 1.59 -0.11 0.00 0.00 0.00 0.00 61.98 63.61 1iub s VAL 107 Cb -0.06 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 1iub s VAL 107 CO 0.17 0.01 0.16 -0.75 0.00 0.00 0.00 175.10 174.70 1iub s LYS 108 N 2.07 4.18 0.08 2.72 2.20 -1.26 -0.82 119.74 128.91 1iub s LYS 108 Ca 0.56 -0.18 0.03 0.00 -0.36 0.00 0.00 55.97 56.02 1iub s LYS 108 Cb -0.25 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.59 1iub s LYS 108 CO 0.23 0.25 0.07 0.08 -0.36 0.00 0.00 175.35 175.62 1iub s VAL 109 N 0.51 4.50 0.41 4.02 1.01 -0.10 -4.75 120.40 126.00 1iub s VAL 109 Ca 0.09 -0.78 -0.26 0.00 0.00 0.00 0.00 61.98 61.03 1iub s VAL 109 Cb -0.12 -3.17 -0.09 0.00 0.00 0.00 0.00 36.38 33.00 1iub s VAL 109 CO 0.00 0.12 1.41 -0.83 0.00 0.00 0.00 175.10 175.80 1iub s GLY 110 N -2.39 2.93 0.46 4.51 0.00 0.09 -4.88 107.32 108.06 1iub s GLY 110 Ca 0.29 1.44 0.15 0.00 0.00 0.00 0.00 44.72 46.59 1iub s GLY 110 CO 0.22 2.07 2.04 1.48 0.00 0.00 0.00 173.10 178.90 1iub h SER 111 N 2.67 0.25 -0.62 1.64 4.64 -1.90 -1.30 113.55 118.92 1iub h SER 111 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1iub h SER 111 Cb 1.25 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1iub h SER 111 CO 0.63 0.16 0.00 -3.20 -0.87 0.00 0.00 176.83 173.55 1iub n ASN 112 N -4.47 3.61 -4.76 4.97 5.15 -1.26 -4.97 115.26 113.53 1iub n ASN 112 Ca 0.05 -2.10 -0.34 0.00 -0.60 0.00 0.00 54.58 51.59 1iub n ASN 112 Cb 0.27 -0.45 0.04 0.00 -0.53 0.00 0.00 39.78 39.10 1iub n ASN 112 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1iub s SER 113 N -0.96 5.16 0.51 1.20 0.15 -0.49 -4.44 113.70 114.84 1iub s SER 113 Ca 0.43 2.19 0.08 0.00 0.70 0.00 0.00 55.95 59.34 1iub s SER 113 Cb 0.24 -2.58 0.04 0.00 -1.71 0.00 0.00 66.02 62.01 1iub s SER 113 CO 0.27 -1.60 0.55 -0.54 1.20 0.00 0.00 173.24 173.12 1iub s LYS 114 N -3.67 2.39 0.06 5.44 -0.14 -1.26 -4.54 119.74 118.02 1iub s LYS 114 Ca 0.72 -1.70 0.03 0.00 -1.36 0.00 0.00 55.97 53.65 1iub s LYS 114 Cb -0.25 -2.41 -0.03 0.00 -1.68 0.00 0.00 37.83 33.46 1iub s LYS 114 CO 0.36 -0.57 -0.09 -0.51 -0.76 0.00 0.00 175.35 173.78 1iub s LEU 115 N -4.39 2.30 -0.01 3.17 1.43 -1.26 -4.40 118.68 115.53 1iub s LEU 115 Ca 0.49 -0.63 -0.08 0.00 -1.03 0.00 0.00 54.13 52.88 1iub s LEU 115 Cb -0.04 -0.21 0.00 0.00 0.03 0.00 0.00 46.19 45.97 1iub s LEU 115 CO 0.30 -0.22 0.15 0.00 0.23 0.00 0.00 176.35 176.81 1iub s ALA 116 N -1.69 -0.37 0.01 4.21 0.00 -1.02 -4.61 121.76 118.29 1iub s ALA 116 Ca -0.05 -0.03 -0.10 0.00 0.00 0.00 0.00 51.96 51.78 1iub s ALA 116 Cb -0.08 0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.11 1iub s ALA 116 CO 0.00 -0.20 0.20 0.00 0.00 0.00 0.00 175.76 175.77 1iub s ALA 117 N -1.20 -0.45 0.06 0.00 0.00 -1.26 -0.28 121.76 118.62 1iub s ALA 117 Ca -0.13 -0.08 -0.06 0.00 0.00 0.00 0.00 51.96 51.69 1iub s ALA 117 Cb -0.07 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 1iub s ALA 117 CO 0.02 -0.28 0.12 -0.48 0.00 0.00 0.00 175.76 175.13 1iub s LEU 118 N -1.63 1.75 0.02 0.00 0.05 -0.66 -4.80 118.68 113.40 1iub s LEU 118 Ca -0.11 -0.65 -0.04 0.00 0.05 0.00 0.00 54.13 53.38 1iub s LEU 118 Cb -0.05 0.72 -0.01 0.00 -2.05 0.00 0.00 46.19 44.81 1iub s LEU 118 CO 0.00 -0.61 0.06 -1.58 -0.55 0.00 0.00 176.35 173.68 1iub s GLN 119 N -3.30 0.46 -0.15 1.48 -0.44 -1.26 -1.36 119.66 115.09 1iub s GLN 119 Ca 0.01 -0.60 -0.28 0.00 -2.50 0.00 0.00 55.36 51.99 1iub s GLN 119 Cb 0.03 0.18 0.07 0.00 -1.64 0.00 0.00 33.01 31.65 1iub s GLN 119 CO -0.08 -0.10 0.69 1.67 0.50 0.00 0.00 175.29 177.97 1iub s TRP 120 N -1.85 -0.71 0.00 1.67 -2.14 -0.76 -4.76 118.94 110.40 1iub s TRP 120 Ca -0.12 1.48 0.00 0.00 2.66 0.00 0.00 56.10 60.12 1iub s TRP 120 Cb -0.06 0.34 0.00 0.00 -3.10 0.00 0.00 33.47 30.65 1iub s TRP 120 CO -0.01 -0.50 0.00 0.41 -2.66 0.00 0.00 176.95 174.18 1iub n GLY 121 N 1.71 3.14 3.73 3.67 0.00 -1.26 -2.06 105.19 114.12 1iub n GLY 121 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1iub n GLY 121 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iub s GLY 122 N -2.50 1.97 0.07 -0.02 0.00 -1.25 -4.53 107.32 101.06 1iub s GLY 122 Ca 0.00 1.31 -0.02 0.00 0.00 0.00 0.00 44.72 46.00 1iub s GLY 122 CO 0.00 2.42 0.14 -1.14 0.00 0.00 0.00 173.10 174.52 1iub n SER 123 N 3.23 -0.40 0.23 1.64 3.41 -0.86 -4.43 113.62 116.44 1iub n SER 123 Ca 0.10 -1.29 0.10 0.00 -0.26 0.00 0.00 58.87 57.52 1iub n SER 123 Cb 0.40 0.67 0.54 0.00 -0.26 0.00 0.00 64.21 65.57 1iub n SER 123 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1iub h GLU 124 N 0.00 0.00 -0.01 4.33 3.07 -1.83 -3.17 114.58 116.97 1iub h GLU 124 Ca -0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1iub h GLU 124 Cb 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 1iub h GLU 124 CO 0.08 0.21 -0.07 -1.13 -1.40 0.00 0.00 179.01 176.69 1iub n SER 125 N -3.51 1.69 -4.07 1.42 3.41 -1.26 -4.15 113.62 107.14 1iub n SER 125 Ca -0.01 -1.35 -0.13 0.00 -0.26 0.00 0.00 58.87 57.12 1iub n SER 125 Cb 0.37 0.16 -0.11 0.00 -0.26 0.00 0.00 64.21 64.36 1iub n SER 125 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iub s ALA 126 N -1.08 0.63 0.40 7.33 0.00 -1.20 -5.15 121.76 122.70 1iub s ALA 126 Ca 0.11 -0.80 -0.23 0.00 0.00 0.00 0.00 51.96 51.05 1iub s ALA 126 Cb 0.09 0.03 -0.10 0.00 0.00 0.00 0.00 23.12 23.14 1iub s ALA 126 CO 0.18 -0.01 0.97 -1.25 0.00 0.00 0.00 175.76 175.65 1iub s PRO 127 N -1.63 4.29 0.61 0.00 0.04 -1.26 -2.03 135.00 135.02 1iub s PRO 127 Ca -0.09 1.26 -0.15 0.00 0.04 0.00 0.00 61.00 62.06 1iub s PRO 127 Cb -0.10 -2.41 -0.03 0.00 0.04 0.00 0.00 34.50 32.00 1iub s PRO 127 CO 0.00 0.01 1.06 -2.14 0.04 0.00 0.00 177.00 175.97 1iub s PRO 128 N -2.75 3.25 -0.23 0.56 0.02 -1.26 -3.88 135.00 130.71 1iub s PRO 128 Ca 0.58 1.14 0.02 0.00 0.02 0.00 0.00 61.00 62.76 1iub s PRO 128 Cb -0.14 -2.03 0.05 0.00 0.02 0.00 0.00 34.50 32.40 1iub s PRO 128 CO 0.19 -0.86 -0.12 -0.80 -0.33 0.00 0.00 177.00 175.07 1iub s ASN 129 N -3.02 3.95 -0.03 2.53 0.01 -0.87 -4.70 114.94 112.81 1iub s ASN 129 Ca 0.62 -1.14 0.04 0.00 -0.71 0.00 0.00 52.86 51.67 1iub s ASN 129 Cb -0.15 -1.45 -0.03 0.00 0.41 0.00 0.00 41.25 40.03 1iub s ASN 129 CO 0.41 -0.15 -0.14 -0.63 -1.51 0.00 0.00 177.10 175.08 1iub s ILE 130 N 1.21 3.07 -0.02 0.60 1.01 -0.88 -1.82 121.20 124.36 1iub s ILE 130 Ca -0.05 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 59.84 1iub s ILE 130 Cb -0.18 -2.23 -0.00 0.00 0.01 0.00 0.00 42.46 40.06 1iub s ILE 130 CO -0.07 0.53 -0.12 -0.13 0.00 0.00 0.00 174.94 175.15 1iub s ARG 131 N -0.90 1.12 -0.05 2.79 1.81 -0.46 -1.00 118.95 122.25 1iub s ARG 131 Ca 0.12 -0.43 0.04 0.00 -1.72 0.00 0.00 55.73 53.74 1iub s ARG 131 Cb -0.11 -1.05 0.00 0.00 -0.45 0.00 0.00 34.95 33.35 1iub s ARG 131 CO 0.02 0.22 -0.17 0.08 -0.68 0.00 0.00 175.30 174.77 1iub s VAL 132 N -0.09 1.42 0.04 3.52 1.01 -0.25 -1.66 120.40 124.40 1iub s VAL 132 Ca 0.01 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.37 1iub s VAL 132 Cb -0.07 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 1iub s VAL 132 CO 0.00 0.41 -0.16 -0.31 0.00 0.00 0.00 175.10 175.05 1iub s TYR 133 N 0.21 2.62 0.21 5.22 1.51 0.61 -0.87 117.35 126.85 1iub s TYR 133 Ca -0.08 -0.22 -0.22 0.00 -1.01 0.00 0.00 57.07 55.55 1iub s TYR 133 Cb -0.13 -1.48 0.07 0.00 -0.11 0.00 0.00 41.96 40.31 1iub s TYR 133 CO 0.03 0.29 0.99 1.52 -1.11 0.00 0.00 175.55 177.27 1iub s TYR 134 N -0.96 0.04 0.12 2.71 -0.85 -0.84 -2.44 117.35 115.12 1iub s TYR 134 Ca 0.16 -0.47 0.08 0.00 -0.52 0.00 0.00 57.07 56.32 1iub s TYR 134 Cb -0.11 0.71 -0.04 0.00 0.38 0.00 0.00 41.96 42.91 1iub s TYR 134 CO 0.06 -1.00 -0.21 -0.65 -1.52 0.00 0.00 175.55 172.23 1iub s GLN 135 N -2.39 1.17 -0.07 -3.49 -0.21 -1.26 -0.33 119.66 113.08 1iub s GLN 135 Ca 0.19 -1.22 0.09 0.00 0.02 0.00 0.00 55.36 54.44 1iub s GLN 135 Cb -0.03 -1.41 -0.24 0.00 1.00 0.00 0.00 33.01 32.33 1iub s GLN 135 CO 0.06 0.32 0.56 1.63 -2.12 0.00 0.00 175.29 175.74 1iub n LYS 136 N 0.93 0.66 -4.42 2.91 5.02 -1.26 -0.73 118.16 121.26 1iub n LYS 136 Ca -0.18 0.27 -0.21 0.00 -2.02 0.00 0.00 58.31 56.17 1iub n LYS 136 Cb 0.54 -1.76 -0.10 0.00 -0.02 0.00 0.00 35.03 33.69 1iub n LYS 136 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1iub s SER 137 N -6.24 2.82 0.00 4.39 1.04 -1.26 -2.73 113.70 111.72 1iub s SER 137 Ca -0.09 -1.16 0.24 0.00 0.48 0.00 0.00 55.95 55.42 1iub s SER 137 Cb 0.08 -0.18 0.24 0.00 0.10 0.00 0.00 66.02 66.26 1iub s SER 137 CO 0.81 -0.29 1.24 0.59 0.98 0.00 0.00 173.24 176.57 1iub n ASN 138 N -0.56 1.50 -4.73 7.02 3.02 -1.26 -4.71 115.26 115.54 1iub n ASN 138 Ca -0.06 -1.18 -0.33 0.00 -0.03 0.00 0.00 54.58 52.98 1iub n ASN 138 Cb 0.63 0.42 0.10 0.00 -0.61 0.00 0.00 39.78 40.32 1iub n ASN 138 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1iub s GLY 139 N -2.58 2.02 0.14 7.41 0.00 -1.26 -4.13 107.32 108.93 1iub s GLY 139 Ca 0.19 0.64 -0.31 0.00 0.00 0.00 0.00 44.72 45.24 1iub s GLY 139 CO 0.60 1.03 1.33 -0.45 0.00 0.00 0.00 173.10 175.61 1iub s SER 140 N -2.53 6.89 0.00 1.64 0.15 -1.26 -2.57 113.70 116.01 1iub s SER 140 Ca 0.69 2.31 0.00 0.00 0.70 0.00 0.00 55.95 59.65 1iub s SER 140 Cb -0.24 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.48 1iub s SER 140 CO 0.50 -0.57 0.00 0.61 1.20 0.00 0.00 173.24 174.98 1iub n GLY 141 N 2.95 0.64 3.68 9.45 0.00 0.21 -4.96 105.19 117.16 1iub n GLY 141 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 1iub n GLY 141 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iub s SER 142 N -2.89 3.00 0.49 1.61 0.01 -1.06 -4.04 113.70 110.81 1iub s SER 142 Ca 0.00 2.22 0.08 0.00 1.31 0.00 0.00 55.95 59.55 1iub s SER 142 Cb 0.00 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 63.69 1iub s SER 142 CO 0.00 -3.06 0.54 -0.94 0.41 0.00 0.00 173.24 170.19 1iub s SER 143 N -2.60 5.10 -0.10 2.44 1.04 -1.26 -0.61 113.70 117.71 1iub s SER 143 Ca 0.68 -0.81 -0.05 0.00 0.48 0.00 0.00 55.95 56.25 1iub s SER 143 Cb -0.24 -0.15 -0.04 0.00 0.10 0.00 0.00 66.02 65.70 1iub s SER 143 CO 0.57 -0.96 0.10 -0.63 0.98 0.00 0.00 173.24 173.30 1iub s ILE 144 N -2.56 5.08 0.31 -1.02 1.01 0.55 -4.59 121.20 119.98 1iub s ILE 144 Ca 0.50 0.01 0.10 0.00 0.00 0.00 0.00 60.65 61.26 1iub s ILE 144 Cb -0.05 -3.21 -0.05 0.00 0.01 0.00 0.00 42.46 39.16 1iub s ILE 144 CO 0.31 0.58 -0.04 -1.00 0.00 0.00 0.00 174.94 174.79 1iub s HIS 145 N -1.01 2.53 0.01 3.97 3.76 0.55 -0.45 115.29 124.65 1iub s HIS 145 Ca 0.16 -0.36 0.02 0.00 -0.15 0.00 0.00 55.06 54.72 1iub s HIS 145 Cb -0.12 -1.31 -0.01 0.00 1.11 0.00 0.00 32.58 32.25 1iub s HIS 145 CO 0.05 0.57 -0.07 -2.00 -0.85 0.00 0.00 174.74 172.43 1iub s GLU 146 N -3.66 0.53 -0.03 1.40 2.12 -0.36 -1.99 118.70 116.70 1iub s GLU 146 Ca 0.33 -0.35 0.07 0.00 0.36 0.00 0.00 54.97 55.38 1iub s GLU 146 Cb -0.03 -0.47 -0.02 0.00 0.26 0.00 0.00 34.13 33.88 1iub s GLU 146 CO 0.19 0.12 -0.24 -0.47 -0.54 0.00 0.00 175.26 174.32 1iub s TYR 147 N -0.42 2.19 -0.05 5.30 5.04 -0.05 0.24 117.35 129.61 1iub s TYR 147 Ca -0.00 -0.49 0.04 0.00 -2.44 0.00 0.00 57.07 54.17 1iub s TYR 147 Cb -0.04 -1.42 -0.03 0.00 0.35 0.00 0.00 41.96 40.82 1iub s TYR 147 CO -0.00 -0.09 -0.15 0.08 -1.34 0.00 0.00 175.55 174.05 1iub s VAL 148 N -0.41 3.00 -0.22 3.14 1.01 0.34 -1.09 120.40 126.16 1iub s VAL 148 Ca 0.05 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1iub s VAL 148 Cb -0.11 -2.17 0.05 0.00 0.00 0.00 0.00 36.38 34.16 1iub s VAL 148 CO 0.00 0.58 -0.08 0.86 0.00 0.00 0.00 175.10 176.47 1iub s TRP 149 N -0.73 2.45 -0.42 5.22 -0.00 -0.17 -1.01 118.94 124.28 1iub s TRP 149 Ca 0.11 -1.69 0.05 0.00 -0.00 0.00 0.00 56.10 54.58 1iub s TRP 149 Cb -0.11 -1.63 0.20 0.00 -0.00 0.00 0.00 33.47 31.94 1iub s TRP 149 CO 0.01 -0.76 0.45 0.43 -0.00 0.00 0.00 176.95 177.08 1iub n SER 150 N 4.67 -0.75 0.00 5.86 7.64 -1.26 -2.08 113.62 127.70 1iub n SER 150 Ca -0.13 -2.55 0.00 0.00 1.01 0.00 0.00 58.87 57.19 1iub n SER 150 Cb 0.45 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 1iub n SER 150 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iub n GLY 151 N 2.43 2.63 3.41 0.23 0.00 -1.26 -4.93 105.19 107.70 1iub n GLY 151 Ca 0.25 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 1iub n GLY 151 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iub s LYS 152 N 0.00 1.15 -0.03 1.61 -2.85 -1.26 -5.14 119.74 113.22 1iub s LYS 152 Ca 0.00 -0.33 -0.28 0.00 -1.00 0.00 0.00 55.97 54.35 1iub s LYS 152 Cb 0.00 0.53 -0.03 0.00 -2.06 0.00 0.00 37.83 36.27 1iub s LYS 152 CO 0.00 -0.45 0.91 -1.58 0.10 0.00 0.00 175.35 174.32 1iub s TRP 153 N -3.02 3.63 0.04 1.78 0.52 -1.26 -4.24 118.94 116.38 1iub s TRP 153 Ca -0.02 1.57 -0.07 0.00 0.02 0.00 0.00 56.10 57.59 1iub s TRP 153 Cb -0.00 -3.04 -0.00 0.00 -1.15 0.00 0.00 33.47 29.27 1iub s TRP 153 CO -0.06 -0.00 0.14 0.95 0.02 0.00 0.00 176.95 178.00 1iub s THR 154 N 1.04 0.12 0.44 2.01 -4.23 -0.18 -4.99 115.64 109.85 1iub s THR 154 Ca 0.48 -0.98 -0.24 0.00 -1.18 0.00 0.00 61.69 59.76 1iub s THR 154 Cb -0.20 -0.88 -0.08 0.00 1.34 0.00 0.00 72.50 72.68 1iub s THR 154 CO 0.25 -0.54 1.24 0.00 -0.54 0.00 0.00 174.62 175.02 1iub s ALA 155 N -2.54 3.09 0.00 3.99 0.00 -1.26 -0.51 121.76 124.53 1iub s ALA 155 Ca -0.05 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.00 1iub s ALA 155 Cb -0.01 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1iub s ALA 155 CO -0.04 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.35 1iub n GLY 156 N 0.60 3.57 2.92 0.00 0.00 0.14 -4.73 105.19 107.69 1iub n GLY 156 Ca 0.06 -1.70 -0.19 0.00 0.00 0.00 0.00 46.02 44.18 1iub n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iub n ALA 157 N -3.00 -0.35 -3.14 4.61 0.00 -1.26 -4.73 120.51 112.64 1iub n ALA 157 Ca 0.00 -1.41 -0.13 0.00 0.00 0.00 0.00 53.44 51.90 1iub n ALA 157 Cb 0.00 0.13 -0.13 0.00 0.00 0.00 0.00 19.45 19.45 1iub n ALA 157 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1iub s SER 158 N -4.29 -0.15 0.19 0.00 1.04 -1.26 -1.23 113.70 108.00 1iub s SER 158 Ca 0.52 0.30 -0.23 0.00 0.48 0.00 0.00 55.95 57.03 1iub s SER 158 Cb -0.02 0.29 0.05 0.00 0.10 0.00 0.00 66.02 66.44 1iub s SER 158 CO 0.36 -0.07 0.69 0.72 0.98 0.00 0.00 173.24 175.91 1iub s PHE 159 N 0.25 -0.38 0.00 5.02 -0.12 0.41 -4.93 117.98 118.24 1iub s PHE 159 Ca -0.01 0.08 0.00 0.00 -0.05 0.00 0.00 56.93 56.94 1iub s PHE 159 Cb -0.03 0.62 0.00 0.00 -0.63 0.00 0.00 43.02 42.98 1iub s PHE 159 CO -0.01 -0.96 0.00 0.41 -0.05 0.00 0.00 175.22 174.61 1iub n GLY 160 N -0.40 -1.32 2.68 1.99 0.00 -1.26 -0.33 105.19 106.54 1iub n GLY 160 Ca -0.11 -1.59 -0.22 0.00 0.00 0.00 0.00 46.02 44.09 1iub n GLY 160 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1iub s SER 161 N -3.69 1.90 0.47 1.61 0.15 -1.25 -3.99 113.70 108.89 1iub s SER 161 Ca 0.00 -0.45 0.04 0.00 0.70 0.00 0.00 55.95 56.25 1iub s SER 161 Cb 0.00 0.07 -0.03 0.00 -1.71 0.00 0.00 66.02 64.35 1iub s SER 161 CO 0.00 -0.34 0.08 0.42 1.20 0.00 0.00 173.24 174.60 1iub s THR 162 N 2.23 1.65 0.59 6.45 -4.23 0.21 -3.14 115.64 119.40 1iub s THR 162 Ca 0.05 -1.89 -0.15 0.00 -1.18 0.00 0.00 61.69 58.52 1iub s THR 162 Cb -0.16 -2.54 -0.04 0.00 1.34 0.00 0.00 72.50 71.10 1iub s THR 162 CO -0.12 0.00 1.03 0.68 -0.54 0.00 0.00 174.62 175.67 1iub s VAL 163 N -2.77 4.22 0.15 2.29 -7.23 -0.79 0.66 120.40 116.94 1iub s VAL 163 Ca 0.23 0.96 -0.34 0.00 -1.81 0.00 0.00 61.98 61.02 1iub s VAL 163 Cb 0.04 -3.57 -0.15 0.00 0.56 0.00 0.00 36.38 33.26 1iub s VAL 163 CO 0.13 -0.72 1.42 -2.65 -0.31 0.00 0.00 175.10 172.97 1iub n PRO 164 N -2.14 1.68 -4.00 4.82 -0.02 -1.26 -2.23 135.00 131.84 1iub n PRO 164 Ca 0.07 0.60 -0.31 0.00 -2.02 0.00 0.00 63.50 61.84 1iub n PRO 164 Cb 0.54 -2.28 0.01 0.00 -0.02 0.00 0.00 33.50 31.74 1iub n PRO 164 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iub n GLY 165 N 2.74 -0.44 3.61 -1.23 0.00 -1.26 -4.90 105.19 103.71 1iub n GLY 165 Ca 0.16 0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.98 1iub n GLY 165 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1iub n THR 166 N -4.54 3.74 -1.76 2.61 5.66 -0.95 -4.66 114.28 114.38 1iub n THR 166 Ca 0.00 -0.49 -0.32 0.00 -3.05 0.00 0.00 64.05 60.18 1iub n THR 166 Cb 0.54 -1.13 0.04 0.00 -1.55 0.00 0.00 70.33 68.23 1iub n THR 166 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1iub s GLY 167 N -1.30 1.98 -0.04 1.09 0.00 -1.25 -4.40 107.32 103.40 1iub s GLY 167 Ca 0.76 0.36 -0.00 0.00 0.00 0.00 0.00 44.72 45.84 1iub s GLY 167 CO 0.47 0.69 0.01 -0.42 0.00 0.00 0.00 173.10 173.85 1iub s ILE 168 N -2.60 0.15 -0.10 0.90 1.01 -1.26 -4.10 121.20 115.21 1iub s ILE 168 Ca 0.63 0.16 -0.00 0.00 0.00 0.00 0.00 60.65 61.44 1iub s ILE 168 Cb -0.17 -0.29 -0.02 0.00 0.01 0.00 0.00 42.46 41.98 1iub s ILE 168 CO 0.44 0.17 -0.09 -0.83 0.00 0.00 0.00 174.94 174.64 1iub s GLY 169 N 1.43 1.64 -0.03 6.18 0.00 0.94 -4.66 107.32 112.82 1iub s GLY 169 Ca -0.04 -0.88 0.02 0.00 0.00 0.00 0.00 44.72 43.81 1iub s GLY 169 CO -0.03 -0.40 -0.05 0.00 0.00 0.00 0.00 173.10 172.62 1iub s ALA 170 N -0.20 0.60 -0.11 3.20 0.00 -1.26 -0.40 121.76 123.60 1iub s ALA 170 Ca 0.02 -0.15 -0.15 0.00 0.00 0.00 0.00 51.96 51.68 1iub s ALA 170 Cb -0.13 -0.28 0.04 0.00 0.00 0.00 0.00 23.12 22.74 1iub s ALA 170 CO 0.03 0.06 0.40 -0.08 0.00 0.00 0.00 175.76 176.17 1iub s THR 171 N 0.42 0.01 -0.48 0.00 -1.32 -0.19 -4.75 115.64 109.33 1iub s THR 171 Ca -0.05 -0.12 -0.18 0.00 -1.21 0.00 0.00 61.69 60.13 1iub s THR 171 Cb -0.09 -0.61 0.06 0.00 -1.51 0.00 0.00 72.50 70.34 1iub s THR 171 CO -0.00 -0.07 0.52 0.00 -2.21 0.00 0.00 174.62 172.86 1iub s ALA 172 N -0.26 3.45 -0.72 11.08 0.00 -1.26 -0.81 121.76 133.23 1iub s ALA 172 Ca -0.04 -1.81 0.26 0.00 0.00 0.00 0.00 51.96 50.37 1iub s ALA 172 Cb -0.03 -3.21 0.80 0.00 0.00 0.00 0.00 23.12 20.68 1iub s ALA 172 CO 0.02 -1.84 1.77 0.44 0.00 0.00 0.00 175.76 176.15 1iub n ILE 173 N 5.46 0.62 -3.77 0.00 -5.35 -0.20 -4.90 119.36 111.21 1iub n ILE 173 Ca -0.08 -0.28 -0.03 0.00 -0.27 0.00 0.00 62.75 62.08 1iub n ILE 173 Cb 0.45 -0.60 -0.01 0.00 -1.74 0.00 0.00 39.64 37.75 1iub n ILE 173 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1iub s GLY 174 N -3.59 -0.18 -0.02 3.28 0.00 -1.19 -4.83 107.32 100.78 1iub s GLY 174 Ca 0.10 0.08 -0.31 0.00 0.00 0.00 0.00 44.72 44.59 1iub s GLY 174 CO 0.59 0.37 1.98 -1.05 0.00 0.00 0.00 173.10 174.99 1iub n PRO 175 N -0.51 2.60 -0.86 2.90 -0.02 -1.26 -1.19 135.00 136.66 1iub n PRO 175 Ca -0.06 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1iub n PRO 175 Cb 0.61 -2.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 1iub n PRO 175 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iub n GLY 176 N 4.66 0.54 3.30 -1.23 0.00 -1.26 -4.98 105.19 106.22 1iub n GLY 176 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 1iub n GLY 176 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iub s ARG 177 N -0.48 2.91 0.02 1.61 0.52 -0.33 -4.44 118.95 118.76 1iub s ARG 177 Ca 0.00 -0.97 0.06 0.00 -0.52 0.00 0.00 55.73 54.31 1iub s ARG 177 Cb 0.00 -3.33 -0.03 0.00 0.52 0.00 0.00 34.95 32.11 1iub s ARG 177 CO 0.00 -0.50 -0.18 -0.51 0.02 0.00 0.00 175.30 174.14 1iub s LEU 178 N 1.44 2.59 -0.09 2.53 1.43 0.38 -1.03 118.68 125.93 1iub s LEU 178 Ca 0.01 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.75 1iub s LEU 178 Cb -0.18 -1.51 0.02 0.00 0.03 0.00 0.00 46.19 44.54 1iub s LEU 178 CO 0.01 0.28 -0.13 -0.13 0.23 0.00 0.00 176.35 176.62 1iub s ARG 179 N -1.22 1.85 -0.07 1.70 1.81 0.01 -1.81 118.95 121.21 1iub s ARG 179 Ca 0.14 -0.44 0.05 0.00 -1.72 0.00 0.00 55.73 53.76 1iub s ARG 179 Cb -0.10 -1.60 -0.01 0.00 -0.45 0.00 0.00 34.95 32.79 1iub s ARG 179 CO 0.04 -0.05 -0.24 0.42 -0.68 0.00 0.00 175.30 174.79 1iub s ILE 180 N 0.93 1.98 -0.05 1.52 -1.09 -0.48 -1.02 121.20 122.99 1iub s ILE 180 Ca -0.09 -1.00 0.06 0.00 -2.23 0.00 0.00 60.65 57.38 1iub s ILE 180 Cb -0.15 -1.70 -0.01 0.00 -1.58 0.00 0.00 42.46 39.02 1iub s ILE 180 CO 0.00 0.55 -0.23 -0.31 -1.23 0.00 0.00 174.94 173.72 1iub s TYR 181 N 0.08 2.22 0.32 3.97 1.51 0.47 -0.36 117.35 125.56 1iub s TYR 181 Ca -0.10 -0.63 -0.12 0.00 -1.01 0.00 0.00 57.07 55.20 1iub s TYR 181 Cb -0.15 -1.46 0.02 0.00 -0.11 0.00 0.00 41.96 40.25 1iub s TYR 181 CO 0.06 -0.19 0.61 1.52 -1.11 0.00 0.00 175.55 176.44 1iub s TYR 182 N -0.16 0.37 -0.24 2.71 -0.85 -0.99 -0.04 117.35 118.15 1iub s TYR 182 Ca -0.02 -0.81 -0.07 0.00 -0.52 0.00 0.00 57.07 55.65 1iub s TYR 182 Cb -0.13 0.40 -0.02 0.00 0.38 0.00 0.00 41.96 42.59 1iub s TYR 182 CO 0.03 -1.24 0.05 -1.14 -1.52 0.00 0.00 175.55 171.73 1iub s GLN 183 N -3.27 3.60 0.75 -3.49 0.74 -1.26 -0.75 119.66 115.98 1iub s GLN 183 Ca 0.20 -0.51 -0.11 0.00 0.05 0.00 0.00 55.36 54.99 1iub s GLN 183 Cb -0.03 -3.27 0.04 0.00 1.10 0.00 0.00 33.01 30.86 1iub s GLN 183 CO 0.12 -0.19 1.10 0.00 -0.55 0.00 0.00 175.29 175.77 1iub s ALA 184 N 1.59 2.59 0.63 1.58 0.00 -0.05 -1.89 121.76 126.22 1iub s ALA 184 Ca 0.06 -0.30 0.28 0.00 0.00 0.00 0.00 51.96 52.01 1iub s ALA 184 Cb -0.15 -3.06 1.55 0.00 0.00 0.00 0.00 23.12 21.46 1iub s ALA 184 CO 0.02 -1.43 1.87 1.79 0.00 0.00 0.00 175.76 178.02 1iub h THR 185 N -0.87 0.00 -0.31 0.00 1.35 -1.75 0.52 112.91 111.85 1iub h THR 185 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1iub h THR 185 Cb 1.26 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1iub h THR 185 CO 0.62 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.99 1iub n ASP 186 N -2.84 2.19 0.00 5.36 5.68 -1.26 -4.90 116.55 120.79 1iub n ASP 186 Ca -0.02 -1.87 0.00 0.00 -0.50 0.00 0.00 54.79 52.40 1iub n ASP 186 Cb 0.39 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 1iub n ASP 186 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1iub n ASN 187 N 0.68 -1.51 -4.83 -1.12 5.03 0.18 -4.99 115.26 108.70 1iub n ASN 187 Ca 0.16 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 55.24 1iub n ASN 187 Cb 0.38 -0.39 -0.06 0.00 -1.02 0.00 0.00 39.78 38.69 1iub n ASN 187 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1iub s LYS 188 N -0.08 4.09 -0.06 3.52 1.02 -1.25 -3.03 119.74 123.95 1iub s LYS 188 Ca 0.00 0.62 -0.30 0.00 0.02 0.00 0.00 55.97 56.31 1iub s LYS 188 Cb 0.00 -3.09 -0.03 0.00 -0.52 0.00 0.00 37.83 34.19 1iub s LYS 188 CO 0.00 0.57 1.08 0.42 -0.92 0.00 0.00 175.35 176.50 1iub s ILE 189 N -1.27 4.56 0.35 2.17 1.01 0.12 -0.87 121.20 127.27 1iub s ILE 189 Ca 0.33 1.85 0.09 0.00 0.00 0.00 0.00 60.65 62.91 1iub s ILE 189 Cb -0.17 -4.19 -0.05 0.00 0.01 0.00 0.00 42.46 38.06 1iub s ILE 189 CO 0.19 0.04 0.04 -0.13 0.00 0.00 0.00 174.94 175.07 1iub s ARG 190 N 1.81 2.10 -0.02 2.79 1.81 0.07 -2.16 118.95 125.36 1iub s ARG 190 Ca 0.52 -1.77 0.05 0.00 -1.72 0.00 0.00 55.73 52.81 1iub s ARG 190 Cb -0.22 -1.93 -0.01 0.00 -0.45 0.00 0.00 34.95 32.34 1iub s ARG 190 CO 0.22 0.10 -0.16 -2.00 -0.68 0.00 0.00 175.30 172.78 1iub s GLU 191 N -3.74 1.35 -0.02 3.54 2.12 -1.24 -2.34 118.70 118.36 1iub s GLU 191 Ca 0.36 -0.57 0.08 0.00 0.36 0.00 0.00 54.97 55.19 1iub s GLU 191 Cb 0.01 -1.28 -0.02 0.00 0.26 0.00 0.00 34.13 33.10 1iub s GLU 191 CO 0.20 0.32 -0.25 -1.58 -0.54 0.00 0.00 175.26 173.41 1iub s HIS 192 N -0.30 2.21 0.07 5.30 2.46 0.52 -0.49 115.29 125.06 1iub s HIS 192 Ca 0.05 -0.42 0.07 0.00 0.47 0.00 0.00 55.06 55.23 1iub s HIS 192 Cb -0.07 -1.42 -0.03 0.00 -0.13 0.00 0.00 32.58 30.93 1iub s HIS 192 CO -0.00 -0.04 -0.20 0.00 -2.47 0.00 0.00 174.74 172.03 1iub s TRP 194 N -0.99 0.85 -0.13 0.00 -0.11 -0.75 -1.20 118.94 116.61 1iub s TRP 194 Ca 0.06 -0.75 0.14 0.00 1.22 0.00 0.00 56.10 56.78 1iub s TRP 194 Cb -0.09 -0.96 -0.21 0.00 -1.50 0.00 0.00 33.47 30.71 1iub s TRP 194 CO 0.03 -0.59 0.10 -0.25 -4.62 0.00 0.00 176.95 171.62 1iub n ASP 195 N 5.10 1.11 0.09 5.86 10.43 -1.26 -0.47 116.55 137.41 1iub n ASP 195 Ca -0.08 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.28 1iub n ASP 195 Cb 0.47 1.03 0.00 0.00 1.84 0.00 0.00 41.12 44.46 1iub n ASP 195 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 1iub n SER 196 N -2.51 -1.67 -0.06 -2.24 3.41 -1.26 -4.61 113.62 104.68 1iub n SER 196 Ca -0.22 0.64 -0.02 0.00 -0.26 0.00 0.00 58.87 59.01 1iub n SER 196 Cb 0.92 1.84 -0.01 0.00 -0.26 0.00 0.00 64.21 66.71 1iub n SER 196 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1iub h ASN 197 N 0.00 0.00 -5.70 4.04 2.35 -1.96 -3.50 115.58 110.80 1iub h ASN 197 Ca 0.00 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.39 1iub h ASN 197 Cb 0.00 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.26 1iub h ASN 197 CO 0.00 0.58 -0.38 -0.55 -1.65 0.00 0.00 177.43 175.44 1iub s SER 198 N -5.58 1.16 -0.09 5.81 0.15 -1.26 -5.14 113.70 108.75 1iub s SER 198 Ca -0.05 -1.59 -0.22 0.00 0.70 0.00 0.00 55.95 54.79 1iub s SER 198 Cb 0.01 0.58 -0.04 0.00 -1.71 0.00 0.00 66.02 64.86 1iub s SER 198 CO 0.08 -1.13 0.63 0.26 1.20 0.00 0.00 173.24 174.27 1iub s TRP 199 N -3.38 3.54 0.05 3.44 0.52 -1.26 -4.33 118.94 117.53 1iub s TRP 199 Ca 0.36 1.11 0.00 0.00 0.02 0.00 0.00 56.10 57.60 1iub s TRP 199 Cb 0.02 -2.73 -0.03 0.00 -1.15 0.00 0.00 33.47 29.58 1iub s TRP 199 CO 0.23 0.09 -0.05 1.52 0.02 0.00 0.00 176.95 178.76 1iub s TYR 200 N 0.83 0.58 -0.09 -1.98 -0.85 -0.34 -4.94 117.35 110.56 1iub s TYR 200 Ca 0.33 -0.82 -0.30 0.00 -0.52 0.00 0.00 57.07 55.76 1iub s TYR 200 Cb -0.17 -0.38 -0.05 0.00 0.38 0.00 0.00 41.96 41.75 1iub s TYR 200 CO 0.15 -0.24 1.63 0.08 -1.52 0.00 0.00 175.55 175.65 1iub s VAL 201 N -2.91 3.64 1.00 -3.49 1.01 -1.26 -0.27 120.40 118.12 1iub s VAL 201 Ca 0.01 0.77 -0.14 0.00 0.00 0.00 0.00 61.98 62.61 1iub s VAL 201 Cb 0.01 -3.52 0.19 0.00 0.00 0.00 0.00 36.38 33.05 1iub s VAL 201 CO -0.05 -0.10 1.15 -0.83 0.00 0.00 0.00 175.10 175.27 1iub s GLY 202 N 3.43 1.60 0.20 4.51 0.00 0.36 -4.88 107.32 112.54 1iub s GLY 202 Ca 0.72 -0.69 0.25 0.00 0.00 0.00 0.00 44.72 45.00 1iub s GLY 202 CO 0.28 -0.02 1.58 -1.33 0.00 0.00 0.00 173.10 173.61 1iub h GLY 203 N -1.82 0.00 -2.89 0.20 0.00 -1.95 -3.43 103.07 93.19 1iub h GLY 203 Ca -0.49 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.33 1iub h GLY 203 CO 0.52 0.00 0.50 -0.12 0.00 0.00 0.00 176.54 177.44 1iub s PHE 204 N -3.14 2.91 -0.17 5.60 5.36 -1.26 -5.03 117.98 122.25 1iub s PHE 204 Ca 0.08 1.53 -0.29 0.00 -0.96 0.00 0.00 56.93 57.30 1iub s PHE 204 Cb 0.12 -3.41 0.10 0.00 -0.34 0.00 0.00 43.02 39.49 1iub s PHE 204 CO 0.65 -1.53 0.88 0.45 -1.46 0.00 0.00 175.22 174.22 1iub s SER 205 N -1.24 -0.51 -0.21 6.13 0.15 -1.26 -3.73 113.70 113.03 1iub s SER 205 Ca 0.61 0.73 -0.27 0.00 0.70 0.00 0.00 55.95 57.72 1iub s SER 205 Cb -0.30 0.64 0.09 0.00 -1.71 0.00 0.00 66.02 64.74 1iub s SER 205 CO 0.37 -0.36 0.83 0.00 1.20 0.00 0.00 173.24 175.28 1iub s ALA 206 N -0.64 -1.85 0.44 5.45 0.00 -0.92 -4.96 121.76 119.28 1iub s ALA 206 Ca -0.03 1.78 -0.21 0.00 0.00 0.00 0.00 51.96 53.50 1iub s ALA 206 Cb -0.02 -0.93 -0.10 0.00 0.00 0.00 0.00 23.12 22.07 1iub s ALA 206 CO 0.02 -0.31 0.97 -1.12 0.00 0.00 0.00 175.76 175.32 1iub s SER 207 N -0.20 6.83 0.15 0.00 0.01 -1.26 0.14 113.70 119.38 1iub s SER 207 Ca -0.02 1.75 -0.19 0.00 1.31 0.00 0.00 55.95 58.81 1iub s SER 207 Cb -0.03 -2.55 0.05 0.00 0.21 0.00 0.00 66.02 63.70 1iub s SER 207 CO 0.01 -0.44 0.50 0.00 0.41 0.00 0.00 173.24 173.72 1iub s ALA 208 N -2.10 -1.17 0.64 1.44 0.00 -1.17 -4.84 121.76 114.56 1iub s ALA 208 Ca 0.62 0.10 -0.17 0.00 0.00 0.00 0.00 51.96 52.52 1iub s ALA 208 Cb -0.11 0.80 -0.01 0.00 0.00 0.00 0.00 23.12 23.80 1iub s ALA 208 CO 0.15 -0.72 1.16 -1.12 0.00 0.00 0.00 175.76 175.23 1iub s SER 209 N -2.80 4.97 0.40 0.00 0.01 -1.26 -4.74 113.70 110.28 1iub s SER 209 Ca 0.04 2.22 -0.26 0.00 1.31 0.00 0.00 55.95 59.25 1iub s SER 209 Cb 0.00 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.56 1iub s SER 209 CO -0.10 -1.73 1.34 0.00 0.41 0.00 0.00 173.24 173.16 1iub s ALA 210 N -1.96 3.32 -0.39 1.44 0.00 -1.26 -3.53 121.76 119.38 1iub s ALA 210 Ca 0.73 1.31 0.00 0.00 0.00 0.00 0.00 51.96 54.00 1iub s ALA 210 Cb -0.26 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1iub s ALA 210 CO 0.38 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.66 1iub n GLY 211 N 0.65 0.44 3.79 0.00 0.00 -1.26 -5.02 105.19 103.78 1iub n GLY 211 Ca 0.03 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 1iub n GLY 211 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1iub s VAL 212 N -2.18 3.52 0.02 1.61 -7.23 -1.23 -4.85 120.40 110.07 1iub s VAL 212 Ca 0.00 0.69 -0.16 0.00 -1.81 0.00 0.00 61.98 60.70 1iub s VAL 212 Cb 0.00 -3.22 -0.06 0.00 0.56 0.00 0.00 36.38 33.66 1iub s VAL 212 CO 0.00 -0.46 0.46 -0.55 -0.31 0.00 0.00 175.10 174.25 1iub s SER 213 N -2.77 6.90 0.00 4.85 0.15 0.07 -3.95 113.70 118.94 1iub s SER 213 Ca 0.65 1.07 0.06 0.00 0.70 0.00 0.00 55.95 58.43 1iub s SER 213 Cb -0.18 -2.29 -0.02 0.00 -1.71 0.00 0.00 66.02 61.82 1iub s SER 213 CO 0.41 0.31 -0.20 -0.63 1.20 0.00 0.00 173.24 174.33 1iub s ILE 214 N -1.08 1.60 0.04 6.45 1.01 -1.26 -1.61 121.20 126.35 1iub s ILE 214 Ca 0.26 -0.95 -0.00 0.00 0.00 0.00 0.00 60.65 59.95 1iub s ILE 214 Cb -0.18 -1.35 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 1iub s ILE 214 CO 0.15 0.37 -0.03 0.00 0.00 0.00 0.00 174.94 175.43 1iub s ALA 215 N -0.57 0.41 -0.12 9.38 0.00 -0.17 -4.12 121.76 126.58 1iub s ALA 215 Ca 0.08 -1.00 -0.10 0.00 0.00 0.00 0.00 51.96 50.93 1iub s ALA 215 Cb -0.08 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.29 1iub s ALA 215 CO -0.00 -0.28 0.32 0.00 0.00 0.00 0.00 175.76 175.80 1iub s ALA 216 N -3.01 -0.78 0.21 0.00 0.00 -1.26 -0.48 121.76 116.43 1iub s ALA 216 Ca -0.01 0.95 0.02 0.00 0.00 0.00 0.00 51.96 52.92 1iub s ALA 216 Cb 0.01 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 22.53 1iub s ALA 216 CO -0.06 -0.16 0.03 0.96 0.00 0.00 0.00 175.76 176.53 1iub s ILE 217 N 0.36 0.68 0.18 0.00 -5.25 -0.61 -4.61 121.20 111.94 1iub s ILE 217 Ca -0.02 -1.99 -0.21 0.00 -0.99 0.00 0.00 60.65 57.44 1iub s ILE 217 Cb -0.03 -2.32 0.05 0.00 2.95 0.00 0.00 42.46 43.11 1iub s ILE 217 CO -0.01 -0.30 0.59 -0.94 -1.79 0.00 0.00 174.94 172.49 1iub s SER 218 N -3.23 -0.46 0.03 4.36 1.04 -1.26 -1.55 113.70 112.63 1iub s SER 218 Ca 0.29 -0.17 -0.28 0.00 0.48 0.00 0.00 55.95 56.27 1iub s SER 218 Cb 0.07 0.60 0.09 0.00 0.10 0.00 0.00 66.02 66.88 1iub s SER 218 CO 0.08 -1.02 1.04 -1.66 0.98 0.00 0.00 173.24 172.65 1iub s TRP 219 N -3.79 -0.17 0.08 5.02 -2.14 -0.02 -4.98 118.94 112.94 1iub s TRP 219 Ca 0.03 -0.02 0.00 0.00 2.66 0.00 0.00 56.10 58.78 1iub s TRP 219 Cb -0.01 0.58 0.00 0.00 -3.10 0.00 0.00 33.47 30.93 1iub s TRP 219 CO -0.09 -0.56 0.00 0.41 -2.66 0.00 0.00 176.95 174.05 1iub n GLY 220 N -0.37 -1.48 0.14 3.67 0.00 -1.26 -0.03 105.19 105.86 1iub n GLY 220 Ca -0.07 -1.45 0.03 0.00 0.00 0.00 0.00 46.02 44.53 1iub n GLY 220 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1iub h SER 221 N -0.30 0.00 -0.16 1.61 0.02 -1.99 -3.39 113.55 109.34 1iub h SER 221 Ca 0.00 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 1iub h SER 221 Cb 0.30 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.79 1iub h SER 221 CO 0.00 0.49 -0.18 0.74 -1.14 0.00 0.00 176.83 176.75 1iub h THR 222 N 0.00 0.53 -2.07 -2.27 2.02 -1.96 -3.47 112.91 105.69 1iub h THR 222 Ca -0.01 0.00 -0.44 0.00 0.77 0.00 0.00 66.41 66.74 1iub h THR 222 Cb 1.38 0.53 0.04 0.00 -1.74 0.00 0.00 68.15 68.36 1iub h THR 222 CO 0.06 0.00 -0.10 -2.16 0.37 0.00 0.00 175.52 173.69 1iub s PRO 223 N -6.13 2.57 -0.12 6.66 0.04 -1.26 -4.87 135.00 131.89 1iub s PRO 223 Ca -0.14 -0.99 -0.06 0.00 0.04 0.00 0.00 61.00 59.85 1iub s PRO 223 Cb 0.11 -2.57 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 1iub s PRO 223 CO 0.68 -0.63 0.09 -0.80 0.04 0.00 0.00 177.00 176.38 1iub s ASN 224 N -4.43 5.93 -0.01 6.66 0.01 0.95 -4.32 114.94 119.73 1iub s ASN 224 Ca 0.57 0.31 0.04 0.00 -0.71 0.00 0.00 52.86 53.08 1iub s ASN 224 Cb -0.10 -1.87 -0.01 0.00 0.41 0.00 0.00 41.25 39.68 1iub s ASN 224 CO 0.37 0.36 -0.14 -0.63 -1.51 0.00 0.00 177.10 175.56 1iub s ILE 225 N -0.76 1.08 -0.10 0.60 1.01 -0.52 -0.84 121.20 121.68 1iub s ILE 225 Ca 0.13 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 60.22 1iub s ILE 225 Cb -0.12 -0.90 0.02 0.00 0.01 0.00 0.00 42.46 41.47 1iub s ILE 225 CO 0.03 0.31 -0.13 -0.13 0.00 0.00 0.00 174.94 175.01 1iub s ARG 226 N -0.26 2.01 -0.17 2.79 1.81 -0.60 -0.55 118.95 123.98 1iub s ARG 226 Ca 0.04 -0.48 -0.02 0.00 -1.72 0.00 0.00 55.73 53.55 1iub s ARG 226 Cb -0.06 -1.75 -0.01 0.00 -0.45 0.00 0.00 34.95 32.68 1iub s ARG 226 CO -0.00 -0.08 -0.10 0.08 -0.68 0.00 0.00 175.30 174.52 1iub s VAL 227 N 1.06 3.15 0.02 3.52 1.01 -0.34 -1.57 120.40 127.25 1iub s VAL 227 Ca -0.06 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.38 1iub s VAL 227 Cb -0.15 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1iub s VAL 227 CO -0.02 0.48 -0.13 -0.31 0.00 0.00 0.00 175.10 175.12 1iub s TYR 228 N 0.89 2.71 0.01 5.22 1.51 0.37 -0.89 117.35 127.17 1iub s TYR 228 Ca -0.02 -0.16 -0.13 0.00 -1.01 0.00 0.00 57.07 55.74 1iub s TYR 228 Cb -0.15 -1.53 0.02 0.00 -0.11 0.00 0.00 41.96 40.19 1iub s TYR 228 CO 0.00 0.30 0.28 1.67 -1.11 0.00 0.00 175.55 176.70 1iub s TRP 229 N -0.96 -0.11 -0.25 2.71 -2.14 -0.86 -1.00 118.94 116.33 1iub s TRP 229 Ca 0.16 0.08 -0.22 0.00 2.66 0.00 0.00 56.10 58.79 1iub s TRP 229 Cb -0.11 0.07 0.07 0.00 -3.10 0.00 0.00 33.47 30.40 1iub s TRP 229 CO 0.06 -0.42 0.66 -1.14 -2.66 0.00 0.00 176.95 173.45 1iub s GLN 230 N -1.84 0.75 -0.15 3.25 0.74 -0.63 -0.82 119.66 120.97 1iub s GLN 230 Ca -0.10 0.97 -0.06 0.00 0.05 0.00 0.00 55.36 56.21 1iub s GLN 230 Cb -0.04 0.33 -0.04 0.00 1.10 0.00 0.00 33.01 34.36 1iub s GLN 230 CO 0.01 -0.10 0.06 0.21 -0.55 0.00 0.00 175.29 174.92 1iub s LYS 231 N 0.58 3.65 0.31 1.67 2.47 -1.26 -0.75 119.74 126.41 1iub s LYS 231 Ca -0.02 -0.31 -0.29 0.00 -1.56 0.00 0.00 55.97 53.79 1iub s LYS 231 Cb -0.05 -3.12 -0.13 0.00 -1.46 0.00 0.00 37.83 33.08 1iub s LYS 231 CO -0.03 0.47 1.29 0.41 0.16 0.00 0.00 175.35 177.65 1iub n GLY 232 N 2.91 0.53 2.41 5.54 0.00 -1.26 -1.26 105.19 114.05 1iub n GLY 232 Ca -0.18 0.37 -0.02 0.00 0.00 0.00 0.00 46.02 46.19 1iub n GLY 232 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iub n ARG 233 N 0.96 -0.83 -4.63 1.61 5.12 -0.89 -4.45 116.66 113.56 1iub n ARG 233 Ca 0.07 0.35 -0.32 0.00 -1.93 0.00 0.00 57.85 56.03 1iub n ARG 233 Cb 0.34 -4.07 -0.07 0.00 -1.16 0.00 0.00 32.46 27.50 1iub n ARG 233 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1iub s GLU 234 N -1.30 2.20 0.31 5.56 2.02 -0.39 -4.84 118.70 122.25 1iub s GLU 234 Ca 0.00 -2.33 -0.05 0.00 0.02 0.00 0.00 54.97 52.61 1iub s GLU 234 Cb 0.00 -1.62 -0.05 0.00 0.10 0.00 0.00 34.13 32.56 1iub s GLU 234 CO 0.00 -0.38 0.58 -1.21 0.02 0.00 0.00 175.26 174.27 1iub s GLU 235 N -3.93 3.63 0.11 1.61 0.41 -1.26 -4.68 118.70 114.59 1iub s GLU 235 Ca 0.11 0.02 -0.30 0.00 -0.41 0.00 0.00 54.97 54.38 1iub s GLU 235 Cb 0.01 -2.62 -0.07 0.00 -1.78 0.00 0.00 34.13 29.68 1iub s GLU 235 CO 0.06 0.18 1.22 -1.17 -0.49 0.00 0.00 175.26 175.06 1iub s LEU 236 N -3.67 4.40 0.01 1.80 2.96 -1.25 -4.61 118.68 118.32 1iub s LEU 236 Ca 0.44 2.13 0.01 0.00 -0.22 0.00 0.00 54.13 56.50 1iub s LEU 236 Cb -0.11 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 1iub s LEU 236 CO 0.31 -0.46 0.03 -0.31 -1.32 0.00 0.00 176.35 174.60 1iub s TYR 237 N 0.69 3.13 -0.05 5.38 1.51 0.00 0.15 117.35 128.17 1iub s TYR 237 Ca 0.58 0.10 0.02 0.00 -1.01 0.00 0.00 57.07 56.75 1iub s TYR 237 Cb -0.31 -1.67 0.02 0.00 -0.11 0.00 0.00 41.96 39.88 1iub s TYR 237 CO 0.32 0.49 -0.07 -2.00 -1.11 0.00 0.00 175.55 173.17 1iub s GLU 238 N -1.74 1.08 -0.14 -0.62 2.12 0.26 -2.02 118.70 117.64 1iub s GLU 238 Ca 0.22 -0.22 -0.02 0.00 0.36 0.00 0.00 54.97 55.31 1iub s GLU 238 Cb -0.12 -0.99 -0.02 0.00 0.26 0.00 0.00 34.13 33.26 1iub s GLU 238 CO 0.13 -0.02 -0.08 0.00 -0.54 0.00 0.00 175.26 174.74 1iub s ALA 239 N 0.73 2.82 -0.09 6.30 0.00 -0.06 -1.78 121.76 129.68 1iub s ALA 239 Ca -0.12 -0.86 0.05 0.00 0.00 0.00 0.00 51.96 51.04 1iub s ALA 239 Cb -0.14 -1.37 -0.00 0.00 0.00 0.00 0.00 23.12 21.61 1iub s ALA 239 CO 0.01 0.26 -0.24 0.00 0.00 0.00 0.00 175.76 175.79 1iub s ALA 240 N 0.27 2.17 -0.19 0.00 0.00 -1.26 -1.19 121.76 121.55 1iub s ALA 240 Ca -0.06 -1.00 -0.03 0.00 0.00 0.00 0.00 51.96 50.88 1iub s ALA 240 Cb -0.15 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.20 1iub s ALA 240 CO 0.04 0.33 -0.08 -0.47 0.00 0.00 0.00 175.76 175.58 1iub s TYR 241 N 0.17 2.91 -0.09 0.00 5.04 0.29 -1.53 117.35 124.14 1iub s TYR 241 Ca -0.14 -0.93 0.17 0.00 -2.44 0.00 0.00 57.07 53.73 1iub s TYR 241 Cb -0.17 -2.02 0.37 0.00 0.35 0.00 0.00 41.96 40.49 1iub s TYR 241 CO 0.07 -0.49 1.17 0.41 -1.34 0.00 0.00 175.55 175.37 1iub n GLY 242 N 4.46 2.83 0.00 8.97 0.00 -1.26 -1.43 105.19 118.76 1iub n GLY 242 Ca -0.18 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1iub n GLY 242 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iub n GLY 243 N -0.33 1.27 3.52 -0.02 0.00 -1.26 -4.98 105.19 103.39 1iub n GLY 243 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 1iub n GLY 243 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1iub s SER 244 N -0.24 -0.22 -0.05 1.61 1.04 -1.26 -5.09 113.70 109.49 1iub s SER 244 Ca 0.00 -0.55 -0.20 0.00 0.48 0.00 0.00 55.95 55.68 1iub s SER 244 Cb 0.00 0.57 -0.05 0.00 0.10 0.00 0.00 66.02 66.64 1iub s SER 244 CO 0.00 -1.06 0.57 0.26 0.98 0.00 0.00 173.24 173.99 1iub s TRP 245 N -3.89 3.62 0.00 5.02 0.52 -1.26 -4.23 118.94 118.71 1iub s TRP 245 Ca 0.11 1.11 0.00 0.00 0.02 0.00 0.00 56.10 57.34 1iub s TRP 245 Cb -0.01 -2.61 0.00 0.00 -1.15 0.00 0.00 33.47 29.70 1iub s TRP 245 CO -0.01 0.27 0.00 0.27 0.02 0.00 0.00 176.95 177.50 1iub n ASN 246 N 3.12 0.00 -4.71 2.95 6.94 -0.58 -5.02 115.26 117.96 1iub n ASN 246 Ca -0.06 -0.61 -0.36 0.00 -0.02 0.00 0.00 54.58 53.52 1iub n ASN 246 Cb 0.51 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.86 1iub n ASN 246 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1iub s THR 247 N -0.11 5.33 0.24 5.53 2.01 -1.26 -4.77 115.64 122.61 1iub s THR 247 Ca 0.00 0.43 -0.31 0.00 0.31 0.00 0.00 61.69 62.12 1iub s THR 247 Cb 0.00 -3.59 -0.14 0.00 0.01 0.00 0.00 72.50 68.79 1iub s THR 247 CO 0.00 0.38 1.31 -2.65 -0.69 0.00 0.00 174.62 172.96 1iub n PRO 248 N 3.78 1.81 -4.30 4.92 -0.02 -1.26 -4.87 135.00 135.06 1iub n PRO 248 Ca -0.13 0.64 -0.16 0.00 -2.02 0.00 0.00 63.50 61.84 1iub n PRO 248 Cb 0.52 -2.23 -0.10 0.00 -0.02 0.00 0.00 33.50 31.66 1iub n PRO 248 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1iub s GLY 249 N 0.08 1.56 0.18 -1.23 0.00 -0.74 -4.92 107.32 102.25 1iub s GLY 249 Ca 0.67 -1.78 -0.15 0.00 0.00 0.00 0.00 44.72 43.46 1iub s GLY 249 CO 0.53 -1.60 0.60 1.20 0.00 0.00 0.00 173.10 173.83 1iub s GLN 250 N -3.96 4.02 -0.33 2.90 -0.21 -1.26 -0.58 119.66 120.24 1iub s GLN 250 Ca 0.32 0.56 -0.06 0.00 0.02 0.00 0.00 55.36 56.19 1iub s GLN 250 Cb 0.07 -2.86 0.04 0.00 1.00 0.00 0.00 33.01 31.26 1iub s GLN 250 CO 0.10 0.42 0.10 0.42 -2.12 0.00 0.00 175.29 174.21 1iub s ILE 251 N -1.55 3.79 0.21 1.08 1.01 0.12 -4.93 121.20 120.94 1iub s ILE 251 Ca 0.41 -1.08 -0.10 0.00 0.00 0.00 0.00 60.65 59.88 1iub s ILE 251 Cb -0.15 -3.12 -0.01 0.00 0.01 0.00 0.00 42.46 39.20 1iub s ILE 251 CO 0.20 -0.14 0.38 -1.59 0.00 0.00 0.00 174.94 173.78 1iub s LYS 252 N 1.41 1.38 -0.14 2.79 -2.85 -1.26 -3.91 119.74 117.16 1iub s LYS 252 Ca -0.01 -1.27 0.00 0.00 -1.00 0.00 0.00 55.97 53.69 1iub s LYS 252 Cb -0.19 0.42 0.02 0.00 -2.06 0.00 0.00 37.83 36.02 1iub s LYS 252 CO 0.03 -0.54 -0.11 0.34 0.10 0.00 0.00 175.35 175.16 1iub s ASP 253 N -3.02 2.52 0.40 0.03 2.15 -1.26 -5.02 116.67 112.47 1iub s ASP 253 Ca 0.23 -0.44 0.10 0.00 0.43 0.00 0.00 52.55 52.87 1iub s ASP 253 Cb 0.02 -1.04 0.89 0.00 -0.30 0.00 0.00 42.92 42.48 1iub s ASP 253 CO 0.06 -0.09 1.98 0.00 -0.17 0.00 0.00 175.17 176.96 1iub h ALA 254 N 8.10 1.84 0.00 3.66 0.00 -2.01 -1.52 119.26 129.33 1iub h ALA 254 Ca -0.34 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1iub h ALA 254 Cb 1.13 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1iub h ALA 254 CO 0.48 0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.64 1iub n SER 255 N -4.48 0.58 -3.34 0.00 3.41 -1.26 -4.23 113.62 104.31 1iub n SER 255 Ca 0.09 0.57 -0.26 0.00 -0.26 0.00 0.00 58.87 59.01 1iub n SER 255 Cb 0.27 -0.72 -0.08 0.00 -0.26 0.00 0.00 64.21 63.41 1iub n SER 255 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1iub n ARG 256 N -2.06 0.88 -1.88 4.33 1.74 -0.58 -5.12 116.66 113.98 1iub n ARG 256 Ca 0.05 -3.50 -0.38 0.00 -0.77 0.00 0.00 57.85 53.26 1iub n ARG 256 Cb 0.38 -1.57 0.03 0.00 -1.02 0.00 0.00 32.46 30.28 1iub n ARG 256 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1iub s PRO 257 N -1.01 3.24 -0.32 5.56 0.02 -1.21 -3.95 135.00 137.34 1iub s PRO 257 Ca 0.34 2.14 -0.06 0.00 0.02 0.00 0.00 61.00 63.44 1iub s PRO 257 Cb 0.11 -2.27 0.01 0.00 0.02 0.00 0.00 34.50 32.37 1iub s PRO 257 CO -0.13 -1.08 0.20 0.25 -0.33 0.00 0.00 177.00 175.91 1iub n THR 258 N -0.95 -0.89 0.41 0.99 -2.24 -1.26 -4.79 114.28 105.54 1iub n THR 258 Ca 0.10 -0.09 0.05 0.00 -2.27 0.00 0.00 64.05 61.84 1iub n THR 258 Cb 0.46 -0.77 0.24 0.00 -2.10 0.00 0.00 70.33 68.16 1iub n THR 258 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1iub n PRO 259 N -1.70 0.03 -3.18 -0.78 -0.04 -1.25 -4.72 135.00 123.35 1iub n PRO 259 Ca -0.07 0.29 -0.31 0.00 -0.04 0.00 0.00 63.50 63.37 1iub n PRO 259 Cb 0.19 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.11 1iub n PRO 259 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1iub s SER 260 N -2.92 6.59 0.57 3.54 1.04 -1.26 -4.32 113.70 116.93 1iub s SER 260 Ca 0.06 1.01 -0.09 0.00 0.48 0.00 0.00 55.95 57.42 1iub s SER 260 Cb 0.07 -2.27 -0.04 0.00 0.10 0.00 0.00 66.02 63.89 1iub s SER 260 CO 0.20 -0.22 0.93 -0.76 0.98 0.00 0.00 173.24 174.37 1iub s LEU 261 N -3.30 3.38 0.60 2.42 1.43 -0.65 -2.09 118.68 120.46 1iub s LEU 261 Ca 0.49 1.19 -0.20 0.00 -1.03 0.00 0.00 54.13 54.59 1iub s LEU 261 Cb -0.11 -4.19 -0.03 0.00 0.03 0.00 0.00 46.19 41.89 1iub s LEU 261 CO 0.25 -0.77 1.32 -2.65 0.23 0.00 0.00 176.35 174.72 1iub n PRO 262 N -2.56 1.40 -1.73 1.29 -0.02 -1.26 -3.16 135.00 128.96 1iub n PRO 262 Ca 0.04 0.53 -0.21 0.00 -2.02 0.00 0.00 63.50 61.84 1iub n PRO 262 Cb 0.55 -2.54 -0.08 0.00 -0.02 0.00 0.00 33.50 31.41 1iub n PRO 262 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1iub n ASP 263 N -1.41 -5.56 -4.81 2.55 10.43 -1.26 -4.91 116.55 111.58 1iub n ASP 263 Ca 0.13 0.43 -0.22 0.00 2.57 0.00 0.00 54.79 57.70 1iub n ASP 263 Cb 0.46 -4.84 0.10 0.00 1.84 0.00 0.00 41.12 38.68 1iub n ASP 263 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1iub s THR 264 N -2.81 2.07 0.33 -3.53 -4.23 -1.22 -4.74 115.64 101.51 1iub s THR 264 Ca 0.00 -0.77 0.04 0.00 -1.18 0.00 0.00 61.69 59.78 1iub s THR 264 Cb 0.00 -2.30 -0.06 0.00 1.34 0.00 0.00 72.50 71.48 1iub s THR 264 CO 0.00 0.00 0.06 -0.36 -0.54 0.00 0.00 174.62 173.78 1iub s PHE 265 N -2.97 1.98 0.31 3.99 0.40 -1.26 -4.49 117.98 115.93 1iub s PHE 265 Ca 0.65 -0.96 0.03 0.00 -0.60 0.00 0.00 56.93 56.05 1iub s PHE 265 Cb -0.05 -1.30 -0.06 0.00 0.51 0.00 0.00 43.02 42.13 1iub s PHE 265 CO 0.43 0.01 0.08 0.96 0.70 0.00 0.00 175.22 177.40 1iub s ILE 266 N -3.28 0.94 0.08 0.64 -4.36 -1.26 -4.07 121.20 109.89 1iub s ILE 266 Ca 0.36 -2.00 -0.15 0.00 -0.26 0.00 0.00 60.65 58.60 1iub s ILE 266 Cb 0.09 -2.72 0.03 0.00 1.25 0.00 0.00 42.46 41.10 1iub s ILE 266 CO 0.16 0.00 0.35 0.00 0.24 0.00 0.00 174.94 175.68 1iub s ALA 267 N -3.45 -0.78 0.00 2.27 0.00 -1.07 -4.66 121.76 114.07 1iub s ALA 267 Ca 0.36 -0.02 -0.06 0.00 0.00 0.00 0.00 51.96 52.25 1iub s ALA 267 Cb 0.08 0.47 -0.00 0.00 0.00 0.00 0.00 23.12 23.67 1iub s ALA 267 CO 0.15 -0.51 0.11 0.00 0.00 0.00 0.00 175.76 175.51 1iub s ALA 268 N -3.10 -0.26 0.25 0.00 0.00 -1.26 0.11 121.76 117.49 1iub s ALA 268 Ca -0.01 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 51.80 1iub s ALA 268 Cb 0.01 0.09 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 1iub s ALA 268 CO -0.07 -0.19 0.12 0.54 0.00 0.00 0.00 175.76 176.16 1iub s ASN 269 N -1.26 0.89 0.09 0.00 6.03 -0.67 -4.63 114.94 115.39 1iub s ASN 269 Ca -0.14 -1.42 -0.25 0.00 -1.03 0.00 0.00 52.86 50.02 1iub s ASN 269 Cb -0.07 0.28 0.08 0.00 -3.03 0.00 0.00 41.25 38.51 1iub s ASN 269 CO 0.01 -0.80 0.73 -0.94 -2.03 0.00 0.00 177.10 174.07 1iub s SER 270 N -3.27 -0.48 0.01 3.54 1.04 -1.26 -2.39 113.70 110.89 1iub s SER 270 Ca 0.38 -0.01 -0.29 0.00 0.48 0.00 0.00 55.95 56.51 1iub s SER 270 Cb 0.07 0.51 0.11 0.00 0.10 0.00 0.00 66.02 66.81 1iub s SER 270 CO 0.14 -0.82 1.19 -0.94 0.98 0.00 0.00 173.24 173.78 1iub s SER 271 N -2.64 -0.11 0.66 7.02 1.04 -0.85 -4.48 113.70 114.35 1iub s SER 271 Ca 0.03 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1iub s SER 271 Cb -0.01 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1iub s SER 271 CO -0.11 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.27 1iub n GLY 272 N -0.44 1.45 2.66 7.32 0.00 -1.26 -0.78 105.19 114.14 1iub n GLY 272 Ca -0.07 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 1iub n GLY 272 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1iub n ASN 273 N 0.47 -2.70 -3.83 1.61 2.85 -1.26 -4.67 115.26 107.73 1iub n ASN 273 Ca 0.00 -2.78 -0.13 0.00 -0.11 0.00 0.00 54.58 51.56 1iub n ASN 273 Cb 0.00 1.17 -0.14 0.00 1.24 0.00 0.00 39.78 42.05 1iub n ASN 273 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 1iub s ILE 274 N 0.66 -0.01 -0.08 -1.44 1.10 -1.26 -5.11 121.20 115.04 1iub s ILE 274 Ca 0.31 0.05 0.02 0.00 -0.51 0.00 0.00 60.65 60.53 1iub s ILE 274 Cb 0.01 -0.09 -0.02 0.00 0.15 0.00 0.00 42.46 42.51 1iub s ILE 274 CO -0.09 0.02 -0.15 -1.81 -2.11 0.00 0.00 174.94 170.80 1iub s ASP 275 N 0.31 3.90 -0.00 4.50 1.01 0.03 -4.60 116.67 121.83 1iub s ASP 275 Ca -0.02 -0.29 0.01 0.00 0.71 0.00 0.00 52.55 52.96 1iub s ASP 275 Cb -0.04 -1.14 0.00 0.00 1.01 0.00 0.00 42.92 42.75 1iub s ASP 275 CO -0.01 0.26 -0.02 -0.63 0.21 0.00 0.00 175.17 174.99 1iub s ILE 276 N -0.24 0.15 0.01 0.77 1.01 -1.26 -2.01 121.20 119.62 1iub s ILE 276 Ca 0.01 -0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.63 1iub s ILE 276 Cb -0.13 -0.14 -0.01 0.00 0.01 0.00 0.00 42.46 42.18 1iub s ILE 276 CO 0.03 0.05 -0.09 -0.44 0.00 0.00 0.00 174.94 174.49 1iub s SER 277 N 0.07 1.08 -0.12 3.58 0.01 -1.01 -1.80 113.70 115.52 1iub s SER 277 Ca -0.00 -0.24 -0.00 0.00 1.31 0.00 0.00 55.95 57.02 1iub s SER 277 Cb -0.02 -0.10 0.02 0.00 0.21 0.00 0.00 66.02 66.14 1iub s SER 277 CO -0.00 0.06 -0.09 -0.69 0.41 0.00 0.00 173.24 172.93 1iub s VAL 278 N -0.42 1.16 -0.01 3.43 1.01 -0.82 -1.66 120.40 123.10 1iub s VAL 278 Ca 0.02 -0.38 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 1iub s VAL 278 Cb -0.05 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 1iub s VAL 278 CO -0.00 0.39 0.24 -0.36 0.00 0.00 0.00 175.10 175.37 1iub s PHE 279 N 1.61 3.57 0.20 5.22 0.40 0.12 0.00 117.98 129.11 1iub s PHE 279 Ca 0.04 0.52 -0.07 0.00 -0.60 0.00 0.00 56.93 56.82 1iub s PHE 279 Cb -0.13 -1.95 -0.02 0.00 0.51 0.00 0.00 43.02 41.43 1iub s PHE 279 CO -0.08 0.63 0.28 -0.59 0.70 0.00 0.00 175.22 176.16 1iub s PHE 280 N -1.28 0.65 -0.22 0.36 -0.12 0.35 -2.60 117.98 115.13 1iub s PHE 280 Ca 0.26 -0.97 -0.06 0.00 -0.05 0.00 0.00 56.93 56.11 1iub s PHE 280 Cb -0.13 -0.17 -0.03 0.00 -0.63 0.00 0.00 43.02 42.07 1iub s PHE 280 CO 0.15 -0.76 0.03 -1.14 -0.05 0.00 0.00 175.22 173.45 1iub s GLN 281 N -4.05 3.62 0.53 1.99 0.74 -1.26 -0.90 119.66 120.34 1iub s GLN 281 Ca 0.26 -0.51 0.01 0.00 0.05 0.00 0.00 55.36 55.18 1iub s GLN 281 Cb 0.04 -3.18 0.01 0.00 1.10 0.00 0.00 33.01 30.98 1iub s GLN 281 CO 0.06 -0.08 0.08 0.00 -0.55 0.00 0.00 175.29 174.81 1iub s ALA 282 N 1.26 4.29 0.37 1.58 0.00 -0.25 -1.63 121.76 127.37 1iub s ALA 282 Ca 0.04 -0.31 -0.27 0.00 0.00 0.00 0.00 51.96 51.42 1iub s ALA 282 Cb -0.15 -0.13 -0.12 0.00 0.00 0.00 0.00 23.12 22.73 1iub s ALA 282 CO 0.02 -0.09 1.20 0.45 0.00 0.00 0.00 175.76 177.34 1iub n SER 283 N -1.40 2.27 0.00 0.00 2.88 -1.26 -0.87 113.62 115.24 1iub n SER 283 Ca -0.18 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 1iub n SER 283 Cb 0.67 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 1iub n SER 283 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1iub n GLY 284 N 0.91 1.21 3.68 0.46 0.00 -1.26 -3.17 105.19 107.01 1iub n GLY 284 Ca 0.07 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1iub n GLY 284 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iub s VAL 285 N 0.00 4.76 0.26 1.61 1.01 -1.26 -3.81 120.40 122.98 1iub s VAL 285 Ca 0.00 2.00 0.10 0.00 0.00 0.00 0.00 61.98 64.08 1iub s VAL 285 Cb 0.00 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 1iub s VAL 285 CO 0.00 -0.04 -0.08 -0.94 0.00 0.00 0.00 175.10 174.03 1iub s SER 286 N 1.13 4.17 -0.33 3.32 1.04 -0.05 -4.57 113.70 118.42 1iub s SER 286 Ca 0.46 -0.78 -0.10 0.00 0.48 0.00 0.00 55.95 56.01 1iub s SER 286 Cb -0.17 -0.64 -0.00 0.00 0.10 0.00 0.00 66.02 65.31 1iub s SER 286 CO 0.14 0.02 0.17 -0.22 0.98 0.00 0.00 173.24 174.34 1iub s LEU 287 N -3.55 4.29 0.39 2.42 2.96 -1.26 -1.09 118.68 122.84 1iub s LEU 287 Ca 0.30 -0.62 0.08 0.00 -0.22 0.00 0.00 54.13 53.67 1iub s LEU 287 Cb -0.06 -2.02 -0.07 0.00 0.50 0.00 0.00 46.19 44.54 1iub s LEU 287 CO 0.18 -0.24 0.02 -1.10 -1.32 0.00 0.00 176.35 173.88 1iub s GLN 288 N 1.61 1.98 -0.04 1.98 -1.52 -0.08 -1.22 119.66 122.38 1iub s GLN 288 Ca 0.04 -2.01 -0.07 0.00 -1.95 0.00 0.00 55.36 51.37 1iub s GLN 288 Cb -0.18 -1.72 0.01 0.00 -0.22 0.00 0.00 33.01 30.90 1iub s GLN 288 CO 0.07 -0.01 0.16 1.14 -0.25 0.00 0.00 175.29 176.40 1iub s GLN 289 N -3.72 0.32 0.04 2.91 -2.07 -1.26 -0.49 119.66 115.39 1iub s GLN 289 Ca 0.35 -0.02 -0.17 0.00 -1.82 0.00 0.00 55.36 53.71 1iub s GLN 289 Cb 0.07 0.14 -0.06 0.00 -1.09 0.00 0.00 33.01 32.07 1iub s GLN 289 CO 0.19 -0.06 0.49 -1.58 -1.32 0.00 0.00 175.29 173.00 1iub s TRP 290 N -0.51 3.75 0.03 9.60 0.52 0.10 -0.11 118.94 132.33 1iub s TRP 290 Ca -0.06 1.12 0.06 0.00 0.02 0.00 0.00 56.10 57.24 1iub s TRP 290 Cb -0.04 -2.38 -0.02 0.00 -1.15 0.00 0.00 33.47 29.88 1iub s TRP 290 CO 0.01 0.61 -0.19 1.14 0.02 0.00 0.00 176.95 178.54 1iub s GLN 291 N -1.17 1.29 -0.10 4.98 -2.07 0.15 -1.94 119.66 120.80 1iub s GLN 291 Ca 0.27 -0.85 -0.02 0.00 -1.82 0.00 0.00 55.36 52.94 1iub s GLN 291 Cb -0.18 -1.36 -0.03 0.00 -1.09 0.00 0.00 33.01 30.35 1iub s GLN 291 CO 0.16 0.35 -0.01 -0.46 -1.32 0.00 0.00 175.29 174.01 1iub s TRP 292 N -0.74 3.11 -0.25 9.60 -0.11 -0.75 -1.62 118.94 128.18 1iub s TRP 292 Ca 0.06 0.06 0.02 0.00 1.22 0.00 0.00 56.10 57.45 1iub s TRP 292 Cb -0.08 -1.83 0.06 0.00 -1.50 0.00 0.00 33.47 30.11 1iub s TRP 292 CO 0.01 0.32 -0.07 0.42 -4.62 0.00 0.00 176.95 173.01 1iub s ILE 293 N -0.52 1.78 0.14 5.86 -1.09 -0.61 -4.41 121.20 122.35 1iub s ILE 293 Ca 0.09 -1.40 -0.34 0.00 -2.23 0.00 0.00 60.65 56.76 1iub s ILE 293 Cb -0.12 -2.00 -0.16 0.00 -1.58 0.00 0.00 42.46 38.61 1iub s ILE 293 CO 0.02 -0.09 1.28 -1.20 -1.23 0.00 0.00 174.94 173.72 1iub n SER 294 N 4.57 1.67 0.00 3.58 7.64 -1.26 -0.41 113.62 129.41 1iub n SER 294 Ca -0.12 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.88 1iub n SER 294 Cb 0.43 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 1iub n SER 294 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iub n GLY 295 N 2.33 2.09 0.25 0.23 0.00 -1.26 -4.69 105.19 104.14 1iub n GLY 295 Ca 0.16 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 1iub n GLY 295 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1iub h LYS 296 N 0.00 -0.57 0.00 1.61 1.63 -1.79 -3.50 116.57 113.94 1iub h LYS 296 Ca 0.00 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1iub h LYS 296 Cb 0.00 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 1iub h LYS 296 CO 0.00 -0.38 0.00 0.41 -3.45 0.00 0.00 179.45 176.03 1iub n GLY 297 N -0.01 0.88 3.85 5.01 0.00 0.45 -4.99 105.19 110.37 1iub n GLY 297 Ca -0.07 -1.97 -0.37 0.00 0.00 0.00 0.00 46.02 43.61 1iub n GLY 297 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1iub s TRP 298 N -2.25 3.67 0.04 1.61 0.52 -1.26 -1.58 118.94 119.69 1iub s TRP 298 Ca 0.00 0.95 -0.15 0.00 0.02 0.00 0.00 56.10 56.92 1iub s TRP 298 Cb 0.00 -2.27 0.02 0.00 -1.15 0.00 0.00 33.47 30.08 1iub s TRP 298 CO 0.00 0.57 0.33 -1.54 0.02 0.00 0.00 176.95 176.34 1iub s SER 299 N -1.38 -0.17 -0.03 2.95 1.04 -0.64 -4.97 113.70 110.50 1iub s SER 299 Ca 0.29 -0.13 -0.30 0.00 0.48 0.00 0.00 55.95 56.29 1iub s SER 299 Cb -0.16 0.37 -0.03 0.00 0.10 0.00 0.00 66.02 66.31 1iub s SER 299 CO 0.16 -0.62 1.06 -0.63 0.98 0.00 0.00 173.24 174.19 1iub s ILE 300 N -2.47 4.61 0.00 -1.02 1.01 -1.26 0.31 121.20 122.38 1iub s ILE 300 Ca -0.05 1.88 0.00 0.00 0.00 0.00 0.00 60.65 62.48 1iub s ILE 300 Cb -0.01 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.25 1iub s ILE 300 CO -0.03 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.60 1iub n GLY 301 N 3.08 1.84 3.75 6.18 0.00 0.85 -4.88 105.19 116.01 1iub n GLY 301 Ca 0.08 -1.91 -0.38 0.00 0.00 0.00 0.00 46.02 43.82 1iub n GLY 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iub s ALA 302 N -2.85 2.69 0.02 4.61 0.00 -1.26 -4.73 121.76 120.23 1iub s ALA 302 Ca 0.00 1.23 -0.23 0.00 0.00 0.00 0.00 51.96 52.96 1iub s ALA 302 Cb 0.00 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 1iub s ALA 302 CO 0.00 -1.35 0.71 0.08 0.00 0.00 0.00 175.76 175.20 1iub s VAL 303 N -1.38 4.83 -0.21 0.00 1.01 -1.26 -4.27 120.40 119.12 1iub s VAL 303 Ca 0.74 1.49 -0.23 0.00 0.00 0.00 0.00 61.98 63.98 1iub s VAL 303 Cb -0.38 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 31.94 1iub s VAL 303 CO 0.43 0.37 0.75 -0.69 0.00 0.00 0.00 175.10 175.95 1iub s VAL 304 N 0.02 4.92 0.23 2.92 1.01 -0.36 -4.76 120.40 124.39 1iub s VAL 304 Ca 0.36 1.43 -0.31 0.00 0.00 0.00 0.00 61.98 63.46 1iub s VAL 304 Cb -0.19 -4.05 -0.11 0.00 0.00 0.00 0.00 36.38 32.02 1iub s VAL 304 CO 0.21 0.02 1.64 -2.16 0.00 0.00 0.00 175.10 174.80 1iub s PRO 305 N 2.34 4.15 -0.12 2.72 0.04 -1.26 -4.12 135.00 138.76 1iub s PRO 305 Ca 0.33 2.54 0.15 0.00 0.04 0.00 0.00 61.00 64.07 1iub s PRO 305 Cb -0.16 -3.07 0.36 0.00 0.04 0.00 0.00 34.50 31.67 1iub s PRO 305 CO 0.10 -0.67 1.17 0.25 0.04 0.00 0.00 177.00 177.89 1iub n THR 306 N 3.24 1.30 0.00 1.26 -2.24 -1.26 -4.21 114.28 112.37 1iub n THR 306 Ca 0.12 -2.12 0.00 0.00 -2.27 0.00 0.00 64.05 59.79 1iub n THR 306 Cb 0.37 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1iub n THR 306 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iub n GLY 307 N -0.59 -1.77 2.78 3.38 0.00 -1.21 -2.44 105.19 105.33 1iub n GLY 307 Ca 0.13 -1.53 -0.21 0.00 0.00 0.00 0.00 46.02 44.41 1iub n GLY 307 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iub s THR 308 N -2.26 0.26 0.68 2.61 2.01 -1.26 -3.31 115.64 114.36 1iub s THR 308 Ca 0.00 0.14 -0.15 0.00 0.31 0.00 0.00 61.69 61.99 1iub s THR 308 Cb 0.00 -0.40 0.01 0.00 0.01 0.00 0.00 72.50 72.11 1iub s THR 308 CO 0.00 0.21 1.13 -2.16 -0.69 0.00 0.00 174.62 173.12 1iub s PRO 309 N 1.66 2.64 0.43 4.92 0.04 -1.26 -4.92 135.00 138.50 1iub s PRO 309 Ca -0.00 1.48 -0.26 0.00 0.04 0.00 0.00 61.00 62.26 1iub s PRO 309 Cb -0.13 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 1iub s PRO 309 CO -0.03 -1.39 1.44 0.00 0.04 0.00 0.00 177.00 177.06 1iub s ALA 310 N -2.25 3.33 0.00 8.56 0.00 -1.26 -2.51 121.76 127.63 1iub s ALA 310 Ca 0.69 1.50 0.00 0.00 0.00 0.00 0.00 51.96 54.14 1iub s ALA 310 Cb -0.23 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.30 1iub s ALA 310 CO 0.42 -1.16 0.00 0.41 0.00 0.00 0.00 175.76 175.43 1iub n GLY 311 N 0.54 0.59 0.00 0.00 0.00 -1.26 -5.23 105.19 99.83 1iub n GLY 311 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1iub n GLY 311 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11