#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b88 s GLN 2 N 0.00 4.02 0.00 0.03 0.00 -1.26 -4.96 119.66 117.49 1b88 s GLN 2 Ca 0.00 1.29 0.00 0.00 -0.00 0.00 0.00 55.36 56.65 1b88 s GLN 2 Cb 0.00 -3.82 0.00 0.00 0.00 0.00 0.00 33.01 29.19 1b88 s GLN 2 CO 0.00 -0.98 0.94 1.04 0.00 0.00 0.00 175.29 176.29 1b88 n GLN 3 N 7.05 0.00 -3.72 9.60 1.13 -1.26 -3.29 117.38 126.89 1b88 n GLN 3 Ca 0.14 0.80 -0.20 0.00 -1.94 0.00 0.00 57.00 55.80 1b88 n GLN 3 Cb 0.46 -1.44 -0.18 0.00 0.11 0.00 0.00 30.24 29.20 1b88 n GLN 3 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1b88 s VAL 4 N -2.76 0.03 -0.15 5.09 1.01 -1.26 -1.57 120.40 120.78 1b88 s VAL 4 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1b88 s VAL 4 Cb 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 36.38 36.13 1b88 s VAL 4 CO 0.00 0.19 -0.15 -0.60 0.00 0.00 0.00 175.10 174.54 1b88 s ARG 5 N 1.97 3.22 -0.14 2.72 6.06 0.14 -4.55 118.95 128.37 1b88 s ARG 5 Ca 0.03 -0.75 -0.03 0.00 -2.50 0.00 0.00 55.73 52.48 1b88 s ARG 5 Cb -0.12 -2.63 -0.03 0.00 0.06 0.00 0.00 34.95 32.23 1b88 s ARG 5 CO -0.03 0.02 -0.03 -0.65 -2.50 0.00 0.00 175.30 172.11 1b88 s GLN 6 N 0.81 3.49 0.00 5.12 -0.21 -1.26 0.41 119.66 128.02 1b88 s GLN 6 Ca -0.05 -0.49 0.00 0.00 0.02 0.00 0.00 55.36 54.84 1b88 s GLN 6 Cb -0.15 -2.88 -0.00 0.00 1.00 0.00 0.00 33.01 30.97 1b88 s GLN 6 CO -0.00 0.36 -0.00 -1.54 -2.12 0.00 0.00 175.29 171.99 1b88 s SER 7 N 0.04 0.04 1.02 5.90 1.04 -0.69 -4.56 113.70 116.50 1b88 s SER 7 Ca 0.01 -0.03 -0.04 0.00 0.48 0.00 0.00 55.95 56.37 1b88 s SER 7 Cb -0.13 0.00 0.05 0.00 0.10 0.00 0.00 66.02 66.04 1b88 s SER 7 CO 0.02 -0.01 0.26 -0.81 0.98 0.00 0.00 173.24 173.68 1b88 n PRO 8 N 2.99 -0.75 0.00 4.02 -0.04 -1.26 -0.40 135.00 139.56 1b88 n PRO 8 Ca -0.13 -0.40 -0.17 0.00 -0.04 0.00 0.00 63.50 62.76 1b88 n PRO 8 Cb 0.60 -0.31 -0.14 0.00 -0.04 0.00 0.00 33.50 33.61 1b88 n PRO 8 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1b88 h GLN 9 N 0.00 0.18 -3.60 0.54 1.08 -1.87 -3.41 115.11 108.04 1b88 h GLN 9 Ca -0.09 -0.31 -0.09 0.00 -1.45 0.00 0.00 58.65 56.71 1b88 h GLN 9 Cb 0.25 0.12 -0.15 0.00 -0.05 0.00 0.00 27.48 27.65 1b88 h GLN 9 CO 0.06 0.98 -0.32 -1.12 -0.95 0.00 0.00 178.83 177.48 1b88 s SER 10 N -6.74 0.01 0.30 1.46 0.01 -1.26 -1.37 113.70 106.11 1b88 s SER 10 Ca -0.15 -0.45 0.07 0.00 1.31 0.00 0.00 55.95 56.73 1b88 s SER 10 Cb 0.07 0.34 -0.02 0.00 0.21 0.00 0.00 66.02 66.62 1b88 s SER 10 CO 0.80 -0.67 0.24 0.18 0.41 0.00 0.00 173.24 174.20 1b88 n LEU 11 N 0.25 0.00 -3.50 2.44 4.77 0.41 -4.89 117.00 116.48 1b88 n LEU 11 Ca -0.17 -2.79 -0.00 0.00 -0.03 0.00 0.00 56.01 53.02 1b88 n LEU 11 Cb 0.61 1.44 -0.05 0.00 -2.33 0.00 0.00 43.42 43.10 1b88 n LEU 11 CO 0.22 -0.46 0.56 -0.89 -1.33 0.00 0.00 177.39 175.49 1b88 s THR 12 N -3.18 -0.45 0.04 -5.08 2.01 -1.25 -3.56 115.64 104.18 1b88 s THR 12 Ca 0.34 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 62.34 1b88 s THR 12 Cb 0.02 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.50 1b88 s THR 12 CO 0.24 0.00 -0.04 0.54 -0.69 0.00 0.00 174.62 174.68 1b88 s VAL 13 N 2.24 0.23 0.64 3.82 0.11 -0.04 -4.97 120.40 122.43 1b88 s VAL 13 Ca -0.05 -1.35 -0.14 0.00 -2.93 0.00 0.00 61.98 57.51 1b88 s VAL 13 Cb -0.06 -0.88 -0.01 0.00 -1.53 0.00 0.00 36.38 33.89 1b88 s VAL 13 CO -0.17 -0.71 1.07 0.26 -3.33 0.00 0.00 175.10 172.22 1b88 s TRP 14 N -2.57 2.90 0.61 1.54 0.23 -1.26 -2.08 118.94 118.31 1b88 s TRP 14 Ca -0.05 1.51 -0.19 0.00 -2.03 0.00 0.00 56.10 55.34 1b88 s TRP 14 Cb -0.02 -3.02 -0.04 0.00 0.03 0.00 0.00 33.47 30.42 1b88 s TRP 14 CO -0.05 -1.31 1.12 -1.91 0.96 0.00 0.00 176.95 175.76 1b88 n GLU 15 N -2.44 1.07 -0.51 4.98 2.13 0.12 -1.23 120.64 124.76 1b88 n GLU 15 Ca 0.09 0.41 0.00 0.00 0.66 0.00 0.00 57.16 58.32 1b88 n GLU 15 Cb 0.53 -2.34 0.00 0.00 0.27 0.00 0.00 31.44 29.90 1b88 n GLU 15 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1b88 n GLY 16 N 1.10 1.20 3.83 8.31 0.00 -0.53 -4.89 105.19 114.22 1b88 n GLY 16 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1b88 n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1b88 s GLU 17 N -0.20 4.13 -0.27 1.61 2.12 -0.36 -4.13 118.70 121.61 1b88 s GLU 17 Ca 0.00 0.92 -0.20 0.00 0.36 0.00 0.00 54.97 56.05 1b88 s GLU 17 Cb 0.00 -2.30 -0.02 0.00 0.26 0.00 0.00 34.13 32.07 1b88 s GLU 17 CO 0.00 0.06 0.61 0.99 -0.54 0.00 0.00 175.26 176.38 1b88 s THR 18 N -2.08 4.99 -0.14 -1.70 2.01 -1.26 0.00 115.64 117.45 1b88 s THR 18 Ca 0.58 1.03 -0.08 0.00 0.31 0.00 0.00 61.69 63.53 1b88 s THR 18 Cb -0.10 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 1b88 s THR 18 CO 0.15 0.00 0.13 0.00 -0.69 0.00 0.00 174.62 174.22 1b88 s ALA 19 N 2.49 3.81 -0.20 7.40 0.00 -1.12 -4.93 121.76 129.20 1b88 s ALA 19 Ca 0.25 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.57 1b88 s ALA 19 Cb -0.15 -2.01 0.04 0.00 0.00 0.00 0.00 23.12 20.99 1b88 s ALA 19 CO 0.09 0.49 -0.15 0.42 0.00 0.00 0.00 175.76 176.62 1b88 s ILE 20 N -0.63 1.94 -0.25 0.00 1.01 -1.26 -0.89 121.20 121.13 1b88 s ILE 20 Ca 0.13 -1.13 -0.05 0.00 0.00 0.00 0.00 60.65 59.60 1b88 s ILE 20 Cb -0.12 -1.91 -0.00 0.00 0.01 0.00 0.00 42.46 40.44 1b88 s ILE 20 CO 0.02 0.28 -0.00 -0.76 0.00 0.00 0.00 174.94 174.48 1b88 s LEU 21 N 1.28 3.24 0.34 2.97 1.02 -0.59 -4.74 118.68 122.21 1b88 s LEU 21 Ca -0.01 -0.52 -0.00 0.00 0.02 0.00 0.00 54.13 53.63 1b88 s LEU 21 Cb -0.16 -1.79 -0.04 0.00 0.02 0.00 0.00 46.19 44.23 1b88 s LEU 21 CO -0.09 -0.08 0.55 0.20 0.02 0.00 0.00 176.35 176.95 1b88 s ASN 22 N 1.48 6.31 -0.02 2.29 0.01 0.46 -0.50 114.94 124.97 1b88 s ASN 22 Ca 0.04 0.49 -0.06 0.00 -0.71 0.00 0.00 52.86 52.62 1b88 s ASN 22 Cb -0.15 -2.05 0.01 0.00 0.41 0.00 0.00 41.25 39.46 1b88 s ASN 22 CO -0.01 -0.29 0.14 0.00 -1.51 0.00 0.00 177.10 175.43 1b88 s SER 24 N -0.84 0.55 -0.05 0.00 0.01 0.17 -1.07 113.70 112.46 1b88 s SER 24 Ca -0.09 -0.05 0.05 0.00 1.31 0.00 0.00 55.95 57.17 1b88 s SER 24 Cb -0.05 -0.28 -0.02 0.00 0.21 0.00 0.00 66.02 65.88 1b88 s SER 24 CO 0.01 -0.09 -0.20 -0.72 0.41 0.00 0.00 173.24 172.65 1b88 s TYR 25 N 0.97 2.54 -0.04 2.43 1.13 -0.81 0.24 117.35 123.81 1b88 s TYR 25 Ca -0.10 -0.44 0.13 0.00 -1.41 0.00 0.00 57.07 55.24 1b88 s TYR 25 Cb -0.14 -1.61 -0.22 0.00 -1.10 0.00 0.00 41.96 38.89 1b88 s TYR 25 CO -0.01 -0.03 0.70 1.49 -2.51 0.00 0.00 175.55 175.19 1b88 h GLU 26 N 5.72 0.00 -5.71 -3.49 4.57 -1.28 -3.45 114.58 110.94 1b88 h GLU 26 Ca -0.39 0.00 -0.62 0.00 -1.18 0.00 0.00 59.36 57.16 1b88 h GLU 26 Cb 1.16 0.00 -0.12 0.00 -0.16 0.00 0.00 28.75 29.62 1b88 h GLU 26 CO 0.49 0.50 0.32 1.21 -1.18 0.00 0.00 179.01 180.34 1b88 s ASN 27 N -6.09 6.46 0.54 1.04 3.84 -1.26 -4.93 114.94 114.54 1b88 s ASN 27 Ca -0.04 0.11 0.22 0.00 0.21 0.00 0.00 52.86 53.35 1b88 s ASN 27 Cb 0.08 -2.38 1.42 0.00 -0.55 0.00 0.00 41.25 39.82 1b88 s ASN 27 CO 0.82 -0.78 2.12 0.77 -2.79 0.00 0.00 177.10 177.24 1b88 h SER 28 N 8.69 0.00 0.34 -4.21 4.64 -1.99 -1.71 113.55 119.32 1b88 h SER 28 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1b88 h SER 28 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1b88 h SER 28 CO 0.92 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.88 1b88 n ALA 29 N -2.51 1.36 -1.94 5.18 0.00 -1.26 -4.69 120.51 116.64 1b88 n ALA 29 Ca 0.01 0.10 -0.43 0.00 0.00 0.00 0.00 53.44 53.12 1b88 n ALA 29 Cb 0.25 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.38 1b88 n ALA 29 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1b88 s PHE 30 N -3.31 1.77 -0.32 0.00 0.08 -0.64 -4.51 117.98 111.04 1b88 s PHE 30 Ca 0.02 0.42 0.03 0.00 0.12 0.00 0.00 56.93 57.52 1b88 s PHE 30 Cb 0.07 -4.03 0.04 0.00 -0.57 0.00 0.00 43.02 38.53 1b88 s PHE 30 CO 0.25 -3.50 0.75 -0.25 -0.10 0.00 0.00 175.22 172.37 1b88 n ASP 31 N 9.24 1.57 -3.77 1.36 8.00 -0.66 -4.82 116.55 127.46 1b88 n ASP 31 Ca 0.22 -1.41 -0.27 0.00 0.71 0.00 0.00 54.79 54.03 1b88 n ASP 31 Cb 0.45 -0.02 -0.16 0.00 -0.02 0.00 0.00 41.12 41.36 1b88 n ASP 31 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1b88 s TYR 32 N -0.49 1.18 -0.43 1.24 5.04 -0.76 -1.83 117.35 121.30 1b88 s TYR 32 Ca 0.04 -0.89 0.00 0.00 -2.44 0.00 0.00 57.07 53.79 1b88 s TYR 32 Cb 0.03 -1.08 0.12 0.00 0.35 0.00 0.00 41.96 41.37 1b88 s TYR 32 CO 0.04 -0.59 0.20 -0.06 -1.34 0.00 0.00 175.55 173.79 1b88 s PHE 33 N 1.80 3.57 0.10 4.97 0.40 0.16 -0.91 117.98 128.07 1b88 s PHE 33 Ca -0.01 -2.73 -0.03 0.00 -0.60 0.00 0.00 56.93 53.56 1b88 s PHE 33 Cb -0.17 -3.09 -0.05 0.00 0.51 0.00 0.00 43.02 40.23 1b88 s PHE 33 CO -0.07 -0.92 0.31 -1.25 0.70 0.00 0.00 175.22 173.99 1b88 s PRO 34 N 0.72 3.55 -0.06 0.24 0.04 -1.20 -0.42 135.00 137.87 1b88 s PRO 34 Ca 0.11 -0.21 0.05 0.00 0.04 0.00 0.00 61.00 60.99 1b88 s PRO 34 Cb -0.22 -2.93 -0.00 0.00 0.04 0.00 0.00 34.50 31.39 1b88 s PRO 34 CO -0.05 0.53 -0.22 -1.58 0.04 0.00 0.00 177.00 175.72 1b88 s TRP 35 N -1.58 2.23 0.21 0.56 0.52 0.19 -1.28 118.94 119.79 1b88 s TRP 35 Ca 0.38 -0.73 0.08 0.00 0.02 0.00 0.00 56.10 55.84 1b88 s TRP 35 Cb -0.13 -1.48 -0.04 0.00 -1.15 0.00 0.00 33.47 30.67 1b88 s TRP 35 CO 0.25 -0.26 0.02 0.71 0.02 0.00 0.00 176.95 177.69 1b88 s TYR 36 N 0.06 2.82 -0.26 -1.98 1.51 0.03 0.05 117.35 119.59 1b88 s TYR 36 Ca -0.08 -0.16 0.02 0.00 -1.01 0.00 0.00 57.07 55.84 1b88 s TYR 36 Cb -0.14 -1.32 0.06 0.00 -0.11 0.00 0.00 41.96 40.45 1b88 s TYR 36 CO 0.05 0.55 -0.07 -1.14 -1.11 0.00 0.00 175.55 173.83 1b88 s GLN 37 N -3.28 1.87 -0.17 -0.62 0.74 0.07 -1.77 119.66 116.50 1b88 s GLN 37 Ca 0.29 -1.25 -0.07 0.00 0.05 0.00 0.00 55.36 54.39 1b88 s GLN 37 Cb -0.08 -2.77 -0.04 0.00 1.10 0.00 0.00 33.01 31.22 1b88 s GLN 37 CO 0.20 -0.63 0.05 -1.14 -0.55 0.00 0.00 175.29 173.22 1b88 s GLN 38 N 1.22 3.90 0.15 1.67 2.00 0.52 -2.08 119.66 127.03 1b88 s GLN 38 Ca -0.05 -0.35 0.04 0.00 -2.00 0.00 0.00 55.36 53.00 1b88 s GLN 38 Cb -0.19 -3.17 -0.04 0.00 0.80 0.00 0.00 33.01 30.41 1b88 s GLN 38 CO -0.06 0.31 0.16 -0.06 -0.50 0.00 0.00 175.29 175.14 1b88 s PHE 39 N 0.26 3.23 0.09 1.67 0.08 -1.26 -0.88 117.98 121.17 1b88 s PHE 39 Ca 0.03 0.03 0.07 0.00 0.12 0.00 0.00 56.93 57.18 1b88 s PHE 39 Cb -0.12 -1.56 0.24 0.00 -0.57 0.00 0.00 43.02 41.01 1b88 s PHE 39 CO 0.00 0.52 0.23 -2.30 -0.10 0.00 0.00 175.22 173.58 1b88 n PRO 40 N -0.29 0.00 -0.12 0.24 -0.02 -1.26 -1.10 135.00 132.45 1b88 n PRO 40 Ca -0.08 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1b88 n PRO 40 Cb 0.54 -0.40 0.00 0.00 -0.02 0.00 0.00 33.50 33.63 1b88 n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b88 n GLY 41 N -1.08 -0.39 0.00 -1.23 0.00 -1.26 -5.13 105.19 96.10 1b88 n GLY 41 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1b88 n GLY 41 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b88 n GLU 42 N 0.00 1.96 -4.17 1.61 1.02 -0.26 -5.14 120.64 115.67 1b88 n GLU 42 Ca 0.00 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.88 1b88 n GLU 42 Cb 0.52 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.87 1b88 n GLU 42 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1b88 s GLY 43 N -1.42 1.72 0.10 0.62 0.00 -1.26 -4.69 107.32 102.40 1b88 s GLY 43 Ca 0.00 -1.32 -0.31 0.00 0.00 0.00 0.00 44.72 43.09 1b88 s GLY 43 CO 0.00 -1.34 1.72 2.56 0.00 0.00 0.00 173.10 176.05 1b88 s PRO 44 N -3.00 4.17 -0.19 2.90 0.04 -1.26 -4.61 135.00 133.04 1b88 s PRO 44 Ca 0.29 2.45 -0.06 0.00 0.04 0.00 0.00 61.00 63.72 1b88 s PRO 44 Cb -0.09 -3.56 -0.03 0.00 0.04 0.00 0.00 34.50 30.85 1b88 s PRO 44 CO 0.20 -0.77 0.02 0.00 0.04 0.00 0.00 177.00 176.49 1b88 s ALA 45 N 2.57 3.17 -0.26 8.56 0.00 -0.88 -4.86 121.76 130.06 1b88 s ALA 45 Ca 0.77 -0.88 -0.32 0.00 0.00 0.00 0.00 51.96 51.53 1b88 s ALA 45 Cb -0.43 -1.81 -0.08 0.00 0.00 0.00 0.00 23.12 20.80 1b88 s ALA 45 CO 0.34 0.01 2.18 -0.11 0.00 0.00 0.00 175.76 178.18 1b88 n LEU 46 N 3.91 2.81 0.03 0.00 7.94 -1.26 -0.75 117.00 129.67 1b88 n LEU 46 Ca -0.17 0.35 -0.22 0.00 -1.11 0.00 0.00 56.01 54.86 1b88 n LEU 46 Cb 0.52 -1.42 -0.14 0.00 0.53 0.00 0.00 43.42 42.91 1b88 n LEU 46 CO 0.33 -0.66 -0.71 0.25 -1.11 0.00 0.00 177.39 175.49 1b88 h LEU 47 N 13.51 0.49 -7.00 -1.96 7.12 -0.68 -3.47 115.31 123.32 1b88 h LEU 47 Ca -0.36 -0.95 0.25 0.00 0.13 0.00 0.00 57.88 56.95 1b88 h LEU 47 Cb 1.28 -0.16 -0.20 0.00 -0.53 0.00 0.00 40.66 41.04 1b88 h LEU 47 CO 0.98 1.84 0.83 -0.51 -0.13 0.00 0.00 178.44 181.45 1b88 s ILE 48 N -2.57 0.00 0.21 4.05 2.07 -0.93 -5.02 121.20 119.02 1b88 s ILE 48 Ca -0.20 0.00 -0.15 0.00 -1.41 0.00 0.00 60.65 58.89 1b88 s ILE 48 Cb 0.06 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.66 1b88 s ILE 48 CO 0.80 0.00 0.48 -0.94 -1.91 0.00 0.00 174.94 173.37 1b88 s SER 49 N -1.95 -0.15 0.01 4.50 1.04 -1.26 0.57 113.70 116.45 1b88 s SER 49 Ca 0.09 -0.71 -0.15 0.00 0.48 0.00 0.00 55.95 55.66 1b88 s SER 49 Cb -0.01 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.70 1b88 s SER 49 CO -0.04 -1.07 0.31 -0.51 0.98 0.00 0.00 173.24 172.90 1b88 s ILE 50 N -3.94 0.07 0.32 -1.02 2.07 0.44 -4.97 121.20 114.17 1b88 s ILE 50 Ca 0.15 -0.55 0.07 0.00 -1.41 0.00 0.00 60.65 58.91 1b88 s ILE 50 Cb -0.00 -0.75 -0.02 0.00 0.13 0.00 0.00 42.46 41.82 1b88 s ILE 50 CO 0.02 -0.30 0.41 -0.76 -1.91 0.00 0.00 174.94 172.39 1b88 s LEU 51 N -1.62 3.90 0.59 8.50 2.01 -1.26 -0.67 118.68 130.13 1b88 s LEU 51 Ca -0.10 -0.25 0.37 0.00 0.01 0.00 0.00 54.13 54.16 1b88 s LEU 51 Cb -0.03 -2.61 1.80 0.00 0.01 0.00 0.00 46.19 45.36 1b88 s LEU 51 CO 0.01 -0.37 2.16 0.77 1.01 0.00 0.00 176.35 179.93 1b88 h SER 52 N 1.03 0.00 0.10 2.29 4.64 -1.68 -2.30 113.55 117.62 1b88 h SER 52 Ca -0.46 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.61 1b88 h SER 52 Cb 1.25 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.36 1b88 h SER 52 CO 0.55 0.03 -0.96 1.62 -0.87 0.00 0.00 176.83 177.19 1b88 h VAL 53 N 0.00 1.32 -3.36 0.95 3.04 -1.95 -3.44 116.25 112.81 1b88 h VAL 53 Ca -0.00 -2.27 -0.55 0.00 -1.01 0.00 0.00 66.70 62.87 1b88 h VAL 53 Cb 0.28 2.33 -0.04 0.00 -2.01 0.00 0.00 31.29 31.85 1b88 h VAL 53 CO 0.00 0.69 -0.06 -0.44 -1.01 0.00 0.00 177.57 176.76 1b88 s SER 54 N -7.19 6.84 -0.06 3.17 0.01 -0.87 -4.99 113.70 110.61 1b88 s SER 54 Ca -0.08 1.11 0.09 0.00 1.31 0.00 0.00 55.95 58.38 1b88 s SER 54 Cb 0.08 -2.30 0.14 0.00 0.21 0.00 0.00 66.02 64.15 1b88 s SER 54 CO 0.90 0.08 1.03 -0.46 0.41 0.00 0.00 173.24 175.20 1b88 n ASN 55 N 0.73 1.72 -3.46 2.44 6.94 -1.26 -4.48 115.26 117.89 1b88 n ASN 55 Ca -0.05 -2.45 -0.14 0.00 -0.02 0.00 0.00 54.58 51.92 1b88 n ASN 55 Cb 0.52 -0.24 -0.04 0.00 -2.36 0.00 0.00 39.78 37.66 1b88 n ASN 55 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1b88 s LYS 56 N -1.69 1.17 -0.28 -3.83 2.20 -1.25 -1.20 119.74 114.85 1b88 s LYS 56 Ca 0.16 -0.18 -0.18 0.00 -0.36 0.00 0.00 55.97 55.41 1b88 s LYS 56 Cb 0.14 0.54 0.11 0.00 -1.51 0.00 0.00 37.83 37.11 1b88 s LYS 56 CO 0.01 -0.46 0.86 0.21 -0.36 0.00 0.00 175.35 175.62 1b88 s LYS 57 N -2.72 0.55 -0.17 4.03 2.20 -1.06 -4.93 119.74 117.63 1b88 s LYS 57 Ca -0.03 0.88 -0.00 0.00 -0.36 0.00 0.00 55.97 56.45 1b88 s LYS 57 Cb -0.01 0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.46 1b88 s LYS 57 CO -0.04 -0.10 -0.14 -1.83 -0.36 0.00 0.00 175.35 172.88 1b88 s GLU 58 N 1.23 3.20 -0.19 4.03 -1.05 -1.26 -2.82 118.70 121.84 1b88 s GLU 58 Ca -0.07 -0.74 0.05 0.00 -0.15 0.00 0.00 54.97 54.06 1b88 s GLU 58 Cb -0.04 -2.70 -0.15 0.00 -0.44 0.00 0.00 34.13 30.80 1b88 s GLU 58 CO -0.14 -0.08 -0.11 -3.47 0.95 0.00 0.00 175.26 172.40 1b88 n ASP 59 N 4.34 1.99 0.00 0.83 2.03 -1.02 -5.03 116.55 119.69 1b88 n ASP 59 Ca -0.19 -0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.04 1b88 n ASP 59 Cb 0.51 0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 1b88 n ASP 59 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b88 n GLY 60 N 2.36 3.27 3.43 0.27 0.00 -1.26 -4.92 105.19 108.35 1b88 n GLY 60 Ca -0.33 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 1b88 n GLY 60 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1b88 n ARG 61 N 0.00 -3.43 -3.62 1.61 1.85 -1.26 -4.92 116.66 106.90 1b88 n ARG 61 Ca 0.00 0.47 -0.09 0.00 -1.00 0.00 0.00 57.85 57.23 1b88 n ARG 61 Cb 0.00 -5.19 -0.09 0.00 -1.05 0.00 0.00 32.46 26.13 1b88 n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1b88 s PHE 62 N -2.96 -0.79 -0.02 2.89 0.08 -1.26 -2.42 117.98 113.50 1b88 s PHE 62 Ca 0.43 1.42 0.01 0.00 0.12 0.00 0.00 56.93 58.90 1b88 s PHE 62 Cb -0.23 0.26 0.02 0.00 -0.57 0.00 0.00 43.02 42.50 1b88 s PHE 62 CO 0.53 -0.51 -0.01 0.99 -0.10 0.00 0.00 175.22 176.12 1b88 s THR 63 N 2.60 0.23 -0.27 0.64 2.01 -0.81 -2.42 115.64 117.62 1b88 s THR 63 Ca 0.00 0.01 -0.07 0.00 0.31 0.00 0.00 61.69 61.94 1b88 s THR 63 Cb -0.12 -0.29 -0.02 0.00 0.01 0.00 0.00 72.50 72.08 1b88 s THR 63 CO -0.13 0.13 0.08 -0.63 -0.69 0.00 0.00 174.62 173.38 1b88 s ILE 64 N 0.72 4.23 -0.21 1.82 1.01 -1.13 -0.33 121.20 127.32 1b88 s ILE 64 Ca -0.08 -0.34 -0.10 0.00 0.00 0.00 0.00 60.65 60.13 1b88 s ILE 64 Cb -0.11 -3.04 -0.05 0.00 0.01 0.00 0.00 42.46 39.27 1b88 s ILE 64 CO -0.01 0.25 0.13 -0.36 0.00 0.00 0.00 174.94 174.95 1b88 s PHE 65 N 1.58 3.40 -0.25 3.97 0.40 0.12 -2.58 117.98 124.62 1b88 s PHE 65 Ca 0.05 0.31 0.01 0.00 -0.60 0.00 0.00 56.93 56.71 1b88 s PHE 65 Cb -0.16 -2.17 0.07 0.00 0.51 0.00 0.00 43.02 41.26 1b88 s PHE 65 CO 0.03 0.26 -0.04 0.12 0.70 0.00 0.00 175.22 176.29 1b88 s PHE 66 N 0.46 2.56 -0.74 0.36 5.36 -0.34 -1.50 117.98 124.14 1b88 s PHE 66 Ca 0.08 -1.93 -0.10 0.00 -0.96 0.00 0.00 56.93 54.02 1b88 s PHE 66 Cb -0.11 -1.75 0.19 0.00 -0.34 0.00 0.00 43.02 41.01 1b88 s PHE 66 CO -0.01 -0.81 0.63 1.21 -1.46 0.00 0.00 175.22 174.78 1b88 s ASN 67 N 1.34 6.20 0.50 6.13 3.84 0.21 -4.52 114.94 128.63 1b88 s ASN 67 Ca -0.03 -2.68 0.21 0.00 0.21 0.00 0.00 52.86 50.56 1b88 s ASN 67 Cb -0.19 -2.09 1.29 0.00 -0.55 0.00 0.00 41.25 39.72 1b88 s ASN 67 CO -0.08 -0.52 2.07 0.50 -2.79 0.00 0.00 177.10 176.28 1b88 h LYS 68 N 7.60 0.00 0.51 0.43 3.64 -1.91 -0.58 116.57 126.26 1b88 h LYS 68 Ca 0.04 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1b88 h LYS 68 Cb 1.01 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 1b88 h LYS 68 CO 0.76 0.12 -0.42 0.00 -2.27 0.00 0.00 179.45 177.64 1b88 h ARG 69 N 0.00 -0.87 0.00 1.90 3.08 -1.93 -2.71 114.38 113.85 1b88 h ARG 69 Ca -0.00 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1b88 h ARG 69 Cb 0.25 0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1b88 h ARG 69 CO 0.02 -0.58 0.00 0.93 -1.07 0.00 0.00 179.97 179.27 1b88 h GLU 70 N -0.90 0.00 -1.80 0.04 5.08 -1.98 -3.46 114.58 111.56 1b88 h GLU 70 Ca -0.07 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 1b88 h GLU 70 Cb 0.76 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.03 1b88 h GLU 70 CO -0.00 0.00 -0.20 1.63 -1.00 0.00 0.00 179.01 179.44 1b88 n LYS 71 N -2.50 -1.60 -4.30 2.33 5.02 -0.36 -4.93 118.16 111.82 1b88 n LYS 71 Ca 0.04 0.29 -0.32 0.00 -2.02 0.00 0.00 58.31 56.30 1b88 n LYS 71 Cb 0.40 -3.87 -0.09 0.00 -0.02 0.00 0.00 35.03 31.45 1b88 n LYS 71 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1b88 s LYS 72 N -4.91 2.65 0.04 1.97 3.01 -0.39 -1.93 119.74 120.18 1b88 s LYS 72 Ca 0.10 -0.70 -0.06 0.00 -1.01 0.00 0.00 55.97 54.30 1b88 s LYS 72 Cb -0.04 -2.58 -0.01 0.00 -1.01 0.00 0.00 37.83 34.18 1b88 s LYS 72 CO 0.12 0.60 0.11 -1.17 0.51 0.00 0.00 175.35 175.52 1b88 s LEU 73 N -1.70 1.74 -0.27 3.17 2.96 -0.24 -0.62 118.68 123.72 1b88 s LEU 73 Ca 0.20 -0.50 -0.23 0.00 -0.22 0.00 0.00 54.13 53.38 1b88 s LEU 73 Cb -0.11 0.65 0.08 0.00 0.50 0.00 0.00 46.19 47.30 1b88 s LEU 73 CO 0.11 -0.51 0.74 -0.94 -1.32 0.00 0.00 176.35 174.43 1b88 s SER 74 N -2.09 -0.76 -0.21 3.68 1.04 -0.56 -0.27 113.70 114.53 1b88 s SER 74 Ca -0.05 1.41 -0.08 0.00 0.48 0.00 0.00 55.95 57.72 1b88 s SER 74 Cb -0.01 1.41 -0.04 0.00 0.10 0.00 0.00 66.02 67.48 1b88 s SER 74 CO -0.04 -0.24 0.07 -0.22 0.98 0.00 0.00 173.24 173.79 1b88 s LEU 75 N 0.60 3.67 -0.24 2.42 2.96 0.34 -0.70 118.68 127.73 1b88 s LEU 75 Ca -0.02 -0.04 -0.05 0.00 -0.22 0.00 0.00 54.13 53.80 1b88 s LEU 75 Cb -0.05 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.68 1b88 s LEU 75 CO -0.03 0.08 -0.00 -1.00 -1.32 0.00 0.00 176.35 174.07 1b88 s HIS 76 N 0.95 3.02 -0.96 5.38 3.76 0.55 -1.54 115.29 126.46 1b88 s HIS 76 Ca 0.04 -0.88 -0.13 0.00 -0.15 0.00 0.00 55.06 53.95 1b88 s HIS 76 Cb -0.14 -2.15 0.23 0.00 1.11 0.00 0.00 32.58 31.63 1b88 s HIS 76 CO 0.03 -0.53 0.96 0.42 -0.85 0.00 0.00 174.74 174.77 1b88 s ILE 77 N 1.50 5.65 0.45 0.60 1.01 -0.06 -1.92 121.20 128.42 1b88 s ILE 77 Ca 0.05 -2.74 -0.25 0.00 0.00 0.00 0.00 60.65 57.70 1b88 s ILE 77 Cb -0.15 -4.57 -0.08 0.00 0.01 0.00 0.00 42.46 37.67 1b88 s ILE 77 CO -0.01 -1.16 1.41 0.00 0.00 0.00 0.00 174.94 175.19 1b88 s ALA 78 N -0.05 3.24 -1.42 9.38 0.00 -1.01 -2.80 121.76 129.11 1b88 s ALA 78 Ca 0.25 1.44 -0.07 0.00 0.00 0.00 0.00 51.96 53.58 1b88 s ALA 78 Cb -0.09 -3.58 0.04 0.00 0.00 0.00 0.00 23.12 19.49 1b88 s ALA 78 CO -0.08 -1.15 0.85 -3.47 0.00 0.00 0.00 175.76 171.90 1b88 n ASP 79 N -0.16 -3.03 -4.11 0.00 2.03 -1.23 -4.62 116.55 105.44 1b88 n ASP 79 Ca 0.05 -0.79 -0.23 0.00 0.52 0.00 0.00 54.79 54.33 1b88 n ASP 79 Cb 0.42 -3.99 -0.20 0.00 -0.72 0.00 0.00 41.12 36.63 1b88 n ASP 79 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1b88 n SER 80 N -2.95 -1.08 -4.77 1.67 3.41 0.10 -4.12 113.62 105.89 1b88 n SER 80 Ca -0.13 -0.39 -0.40 0.00 -0.26 0.00 0.00 58.87 57.70 1b88 n SER 80 Cb 0.60 -0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1b88 n SER 80 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1b88 s GLN 81 N 6.70 4.36 0.27 4.33 0.74 -1.26 -1.45 119.66 133.36 1b88 s GLN 81 Ca 1.21 1.90 0.15 0.00 0.05 0.00 0.00 55.36 58.68 1b88 s GLN 81 Cb -0.84 -2.97 0.83 0.00 1.10 0.00 0.00 33.01 31.14 1b88 s GLN 81 CO 0.51 -0.07 1.42 -0.35 -0.55 0.00 0.00 175.29 176.25 1b88 n PRO 82 N 0.68 0.10 0.25 1.67 -0.04 -1.26 -0.56 135.00 135.84 1b88 n PRO 82 Ca 0.01 0.58 0.15 0.00 -0.04 0.00 0.00 63.50 64.20 1b88 n PRO 82 Cb 0.45 -1.95 0.45 0.00 -0.04 0.00 0.00 33.50 32.41 1b88 n PRO 82 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1b88 h GLY 83 N 0.00 0.00 0.85 0.55 0.00 -1.90 -3.02 103.07 99.55 1b88 h GLY 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1b88 h GLY 83 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 1b88 n ASP 84 N -3.11 0.00 -4.55 0.19 8.00 0.28 -4.74 116.55 112.62 1b88 n ASP 84 Ca 0.02 -0.88 -0.34 0.00 0.71 0.00 0.00 54.79 54.30 1b88 n ASP 84 Cb 0.41 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.48 1b88 n ASP 84 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1b88 s SER 85 N -1.89 4.58 0.26 -2.24 0.01 -1.14 -4.82 113.70 108.46 1b88 s SER 85 Ca 0.31 0.76 -0.21 0.00 1.31 0.00 0.00 55.95 58.12 1b88 s SER 85 Cb 0.14 -2.51 0.04 0.00 0.21 0.00 0.00 66.02 63.90 1b88 s SER 85 CO 0.24 -2.87 0.79 0.00 0.41 0.00 0.00 173.24 171.81 1b88 s ALA 86 N 11.75 -1.28 -0.13 1.44 0.00 -0.76 -4.85 121.76 127.95 1b88 s ALA 86 Ca 0.90 -0.26 -0.19 0.00 0.00 0.00 0.00 51.96 52.40 1b88 s ALA 86 Cb -0.15 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.71 1b88 s ALA 86 CO 0.22 -1.04 0.52 0.99 0.00 0.00 0.00 175.76 176.45 1b88 s THR 87 N -3.53 5.15 -0.14 0.00 2.01 -0.06 -0.26 115.64 118.81 1b88 s THR 87 Ca 0.12 1.03 -0.02 0.00 0.31 0.00 0.00 61.69 63.13 1b88 s THR 87 Cb -0.05 -3.85 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 1b88 s THR 87 CO 0.06 0.29 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.91 1b88 s TYR 88 N 0.85 2.96 -0.09 4.92 1.51 -0.17 -0.35 117.35 126.98 1b88 s TYR 88 Ca 0.27 -0.34 -0.01 0.00 -1.01 0.00 0.00 57.07 55.99 1b88 s TYR 88 Cb -0.15 -1.90 -0.03 0.00 -0.11 0.00 0.00 41.96 39.76 1b88 s TYR 88 CO 0.11 -0.03 -0.03 -0.06 -1.11 0.00 0.00 175.55 174.43 1b88 s PHE 89 N 0.21 3.06 -0.13 2.71 0.08 -0.73 -1.24 117.98 121.94 1b88 s PHE 89 Ca -0.04 0.07 -0.03 0.00 0.12 0.00 0.00 56.93 57.05 1b88 s PHE 89 Cb -0.14 -1.78 -0.03 0.00 -0.57 0.00 0.00 43.02 40.50 1b88 s PHE 89 CO 0.03 0.36 -0.01 0.00 -0.10 0.00 0.00 175.22 175.50 1b88 s ALA 91 N -0.23 1.64 -0.23 0.00 0.00 -0.41 0.45 121.76 122.99 1b88 s ALA 91 Ca 0.05 -1.66 -0.16 0.00 0.00 0.00 0.00 51.96 50.20 1b88 s ALA 91 Cb -0.12 0.35 0.07 0.00 0.00 0.00 0.00 23.12 23.41 1b88 s ALA 91 CO 0.02 -0.21 0.57 0.00 0.00 0.00 0.00 175.76 176.15 1b88 s ALA 92 N -3.41 -1.49 0.13 0.00 0.00 -0.53 -3.24 121.76 113.21 1b88 s ALA 92 Ca 0.24 1.90 0.05 0.00 0.00 0.00 0.00 51.96 54.15 1b88 s ALA 92 Cb 0.05 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 1b88 s ALA 92 CO 0.05 -0.31 -0.11 0.45 0.00 0.00 0.00 175.76 175.84 1b88 s SER 93 N 1.10 1.79 0.38 0.00 0.15 -0.09 0.24 113.70 117.28 1b88 s SER 93 Ca -0.06 -0.91 0.16 0.00 0.70 0.00 0.00 55.95 55.84 1b88 s SER 93 Cb -0.06 -0.03 0.78 0.00 -1.71 0.00 0.00 66.02 65.01 1b88 s SER 93 CO -0.11 -0.26 1.82 0.00 1.20 0.00 0.00 173.24 175.90 1b88 h ALA 94 N 3.16 1.25 -1.85 5.45 0.00 -1.79 -1.57 119.26 123.91 1b88 h ALA 94 Ca -0.38 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 1b88 h ALA 94 Cb 1.19 -0.06 -0.20 0.00 0.00 0.00 0.00 17.79 18.72 1b88 h ALA 94 CO 0.57 0.45 0.31 -1.54 0.00 0.00 0.00 179.25 179.04 1b88 s SER 95 N -6.71 -0.56 -0.10 0.00 1.04 -1.26 -3.40 113.70 102.71 1b88 s SER 95 Ca -0.02 0.62 -0.03 0.00 0.48 0.00 0.00 55.95 57.00 1b88 s SER 95 Cb 0.13 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.69 1b88 s SER 95 CO 0.70 -0.52 0.02 0.12 0.98 0.00 0.00 173.24 174.55 1b88 s PHE 96 N -1.15 3.22 0.00 5.02 5.36 -1.26 -4.31 117.98 124.86 1b88 s PHE 96 Ca -0.08 0.22 0.00 0.00 -0.96 0.00 0.00 56.93 56.11 1b88 s PHE 96 Cb -0.00 -1.83 0.00 0.00 -0.34 0.00 0.00 43.02 40.85 1b88 s PHE 96 CO 0.07 0.48 0.00 0.41 -1.46 0.00 0.00 175.22 174.72 1b88 n GLY 97 N 2.21 2.26 3.78 13.12 0.00 -1.26 -5.03 105.19 120.27 1b88 n GLY 97 Ca -0.19 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 1b88 n GLY 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1b88 s ASP 98 N -1.23 4.24 -1.33 1.61 -1.08 -1.26 -4.90 116.67 112.72 1b88 s ASP 98 Ca 0.00 1.41 -0.14 0.00 -0.52 0.00 0.00 52.55 53.30 1b88 s ASP 98 Cb 0.00 -2.13 0.10 0.00 -1.46 0.00 0.00 42.92 39.43 1b88 s ASP 98 CO 0.00 -2.14 1.86 -3.20 0.52 0.00 0.00 175.17 172.21 1b88 n ASN 99 N -3.56 4.71 -4.86 -0.34 4.05 -1.26 -4.94 115.26 109.06 1b88 n ASN 99 Ca 0.07 -2.95 -0.36 0.00 0.45 0.00 0.00 54.58 51.79 1b88 n ASN 99 Cb 0.56 -1.63 -0.06 0.00 1.23 0.00 0.00 39.78 39.88 1b88 n ASN 99 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 1b88 s SER 100 N 2.89 6.61 0.25 1.20 0.01 -1.26 -5.05 113.70 118.34 1b88 s SER 100 Ca 0.46 0.72 -0.30 0.00 1.31 0.00 0.00 55.95 58.15 1b88 s SER 100 Cb 0.07 -2.16 -0.10 0.00 0.21 0.00 0.00 66.02 64.05 1b88 s SER 100 CO -0.00 0.28 1.37 -0.75 0.41 0.00 0.00 173.24 174.56 1b88 s LYS 101 N -1.46 4.32 -0.28 12.44 2.20 -1.26 -4.84 119.74 130.86 1b88 s LYS 101 Ca 0.25 2.21 -0.20 0.00 -0.36 0.00 0.00 55.97 57.88 1b88 s LYS 101 Cb -0.14 -3.13 -0.01 0.00 -1.51 0.00 0.00 37.83 33.04 1b88 s LYS 101 CO 0.14 -0.32 0.61 -0.51 -0.36 0.00 0.00 175.35 174.90 1b88 s LEU 102 N -0.60 4.11 -0.38 5.43 1.43 -1.26 -4.16 118.68 123.24 1b88 s LEU 102 Ca 0.56 0.52 -0.20 0.00 -1.03 0.00 0.00 54.13 53.98 1b88 s LEU 102 Cb -0.40 -2.80 0.01 0.00 0.03 0.00 0.00 46.19 43.03 1b88 s LEU 102 CO 0.44 -0.42 0.63 -0.63 0.23 0.00 0.00 176.35 176.60 1b88 s ILE 103 N 2.53 4.87 0.02 -0.59 1.09 0.14 -4.88 121.20 124.38 1b88 s ILE 103 Ca 0.25 0.41 -0.24 0.00 -1.10 0.00 0.00 60.65 59.97 1b88 s ILE 103 Cb -0.15 -4.12 -0.05 0.00 -1.06 0.00 0.00 42.46 37.08 1b88 s ILE 103 CO 0.10 -0.41 0.72 0.26 -0.10 0.00 0.00 174.94 175.52 1b88 s TRP 104 N 2.74 3.70 0.00 3.97 0.52 -1.26 -1.46 118.94 127.15 1b88 s TRP 104 Ca 0.23 1.39 0.00 0.00 0.02 0.00 0.00 56.10 57.75 1b88 s TRP 104 Cb -0.14 -2.78 0.00 0.00 -1.15 0.00 0.00 33.47 29.40 1b88 s TRP 104 CO 0.16 0.26 0.00 0.41 0.02 0.00 0.00 176.95 177.80 1b88 n GLY 105 N 2.50 -1.85 0.37 0.98 0.00 0.17 -4.84 105.19 102.52 1b88 n GLY 105 Ca -0.03 -1.50 0.04 0.00 0.00 0.00 0.00 46.02 44.53 1b88 n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b88 n LEU 106 N 0.00 2.18 -0.12 0.99 4.77 -1.26 -4.82 117.00 118.74 1b88 n LEU 106 Ca 0.00 -1.55 0.00 0.00 -0.03 0.00 0.00 56.01 54.43 1b88 n LEU 106 Cb 0.00 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1b88 n LEU 106 CO 0.00 0.51 -0.04 0.61 -1.33 0.00 0.00 177.39 177.14 1b88 n GLY 107 N 0.29 -2.95 3.14 -0.72 0.00 -1.26 -5.00 105.19 98.69 1b88 n GLY 107 Ca 0.06 -1.23 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 1b88 n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b88 s THR 108 N -3.52 2.14 0.08 2.61 2.01 -0.37 -4.79 115.64 113.80 1b88 s THR 108 Ca 0.00 -0.91 -0.30 0.00 0.31 0.00 0.00 61.69 60.78 1b88 s THR 108 Cb 0.00 -1.90 -0.06 0.00 0.01 0.00 0.00 72.50 70.55 1b88 s THR 108 CO 0.00 0.53 1.10 -0.44 -0.69 0.00 0.00 174.62 175.13 1b88 s SER 109 N 1.26 7.23 -0.12 3.53 0.01 -0.47 -1.00 113.70 124.13 1b88 s SER 109 Ca 0.04 1.94 0.01 0.00 1.31 0.00 0.00 55.95 59.25 1b88 s SER 109 Cb -0.13 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.50 1b88 s SER 109 CO -0.11 -0.32 -0.17 -0.22 0.41 0.00 0.00 173.24 172.83 1b88 s LEU 110 N 0.57 2.52 -0.18 2.44 2.96 0.64 -0.44 118.68 127.19 1b88 s LEU 110 Ca 0.54 -0.40 -0.00 0.00 -0.22 0.00 0.00 54.13 54.04 1b88 s LEU 110 Cb -0.27 -1.55 0.05 0.00 0.50 0.00 0.00 46.19 44.92 1b88 s LEU 110 CO 0.31 0.16 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.76 1b88 s VAL 111 N 0.34 1.13 -0.13 1.68 1.01 -1.23 -1.82 120.40 121.38 1b88 s VAL 111 Ca -0.13 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1b88 s VAL 111 Cb -0.17 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 1b88 s VAL 111 CO 0.07 0.07 -0.14 -0.69 0.00 0.00 0.00 175.10 174.41 1b88 s VAL 112 N 1.61 2.94 0.03 2.92 1.01 -1.26 -0.86 120.40 126.79 1b88 s VAL 112 Ca -0.00 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1b88 s VAL 112 Cb -0.16 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 1b88 s VAL 112 CO -0.07 0.53 -0.06 0.54 0.00 0.00 0.00 175.10 176.04 1b88 s ASN 113 N 0.37 0.58 0.00 3.32 6.03 -0.88 -4.44 114.94 119.92 1b88 s ASN 113 Ca -0.12 -0.56 0.21 0.00 -1.03 0.00 0.00 52.86 51.37 1b88 s ASN 113 Cb -0.16 0.07 1.26 0.00 -3.03 0.00 0.00 41.25 39.39 1b88 s ASN 113 CO 0.06 -0.27 1.64 -0.81 -2.03 0.00 0.00 177.10 175.69