#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c08 s VAL 2 N 0.00 5.36 -0.02 2.53 1.01 -1.25 -3.84 120.40 124.20 1c08 s VAL 2 Ca 0.00 0.36 0.05 0.00 0.00 0.00 0.00 61.98 62.40 1c08 s VAL 2 Cb 0.00 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 1c08 s VAL 2 CO 0.00 0.44 -0.17 -1.10 0.00 0.00 0.00 175.10 174.27 1c08 s GLN 3 N 0.24 1.44 0.02 2.72 -0.21 0.14 -4.97 119.66 119.03 1c08 s GLN 3 Ca 0.13 -0.62 0.06 0.00 0.02 0.00 0.00 55.36 54.95 1c08 s GLN 3 Cb -0.12 -1.37 -0.03 0.00 1.00 0.00 0.00 33.01 32.49 1c08 s GLN 3 CO 0.01 0.36 -0.15 -0.51 -2.12 0.00 0.00 175.29 172.88 1c08 s LEU 4 N -0.36 2.72 -0.12 2.90 1.02 -1.26 -0.41 118.68 123.17 1c08 s LEU 4 Ca 0.06 -0.34 -0.05 0.00 0.02 0.00 0.00 54.13 53.82 1c08 s LEU 4 Cb -0.07 -1.58 0.06 0.00 0.02 0.00 0.00 46.19 44.62 1c08 s LEU 4 CO -0.00 0.28 0.24 -1.58 0.02 0.00 0.00 176.35 175.31 1c08 s GLN 5 N -1.30 0.14 0.36 1.70 2.00 -0.48 -4.32 119.66 117.76 1c08 s GLN 5 Ca 0.15 0.67 -0.24 0.00 -2.00 0.00 0.00 55.36 53.93 1c08 s GLN 5 Cb -0.11 -0.08 -0.10 0.00 0.80 0.00 0.00 33.01 33.52 1c08 s GLN 5 CO 0.05 -0.26 0.96 -1.21 -0.50 0.00 0.00 175.29 174.33 1c08 s GLU 6 N 2.14 4.44 0.09 1.67 8.01 -1.26 -0.86 118.70 132.93 1c08 s GLU 6 Ca -0.01 1.30 -0.13 0.00 0.01 0.00 0.00 54.97 56.14 1c08 s GLU 6 Cb -0.12 -2.61 0.02 0.00 -4.31 0.00 0.00 34.13 27.12 1c08 s GLU 6 CO -0.08 0.15 0.31 -1.54 0.01 0.00 0.00 175.26 174.11 1c08 s SER 7 N -1.76 -0.09 0.00 -0.19 1.04 -0.06 -4.97 113.70 107.67 1c08 s SER 7 Ca 0.54 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.58 1c08 s SER 7 Cb -0.17 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1c08 s SER 7 CO 0.21 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.29 1c08 n GLY 8 N 0.02 0.14 3.79 7.32 0.00 -1.26 -0.59 105.19 114.62 1c08 n GLY 8 Ca -0.16 -1.57 -0.34 0.00 0.00 0.00 0.00 46.02 43.95 1c08 n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1c08 s PRO 9 N -2.00 3.81 -0.01 1.61 0.04 -1.26 -4.96 135.00 132.23 1c08 s PRO 9 Ca 0.00 1.39 0.19 0.00 0.04 0.00 0.00 61.00 62.62 1c08 s PRO 9 Cb 0.00 -2.13 -0.22 0.00 0.04 0.00 0.00 34.50 32.19 1c08 s PRO 9 CO 0.00 -0.43 0.73 -1.13 0.04 0.00 0.00 177.00 176.21 1c08 n SER 10 N -0.90 0.82 -3.87 6.66 3.41 -1.26 -4.74 113.62 113.74 1c08 n SER 10 Ca 0.09 -0.76 -0.22 0.00 -0.26 0.00 0.00 58.87 57.72 1c08 n SER 10 Cb 0.52 1.18 -0.17 0.00 -0.26 0.00 0.00 64.21 65.48 1c08 n SER 10 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1c08 s LEU 11 N -3.18 1.12 0.09 1.04 2.96 -1.26 0.48 118.68 119.93 1c08 s LEU 11 Ca 0.04 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 53.81 1c08 s LEU 11 Cb 0.14 -0.54 -0.04 0.00 0.50 0.00 0.00 46.19 46.25 1c08 s LEU 11 CO 0.78 -0.10 -0.05 0.68 -1.32 0.00 0.00 176.35 176.34 1c08 s VAL 12 N 1.31 0.60 0.22 1.68 -7.23 -0.85 -4.97 120.40 111.17 1c08 s VAL 12 Ca -0.04 -1.92 0.05 0.00 -1.81 0.00 0.00 61.98 58.26 1c08 s VAL 12 Cb -0.14 -1.68 -0.03 0.00 0.56 0.00 0.00 36.38 35.09 1c08 s VAL 12 CO -0.02 -0.87 0.27 -0.54 -0.31 0.00 0.00 175.10 173.63 1c08 s LYS 13 N -3.86 3.21 0.38 4.82 1.02 -1.26 -0.31 119.74 123.76 1c08 s LYS 13 Ca 0.12 -0.85 -0.28 0.00 0.02 0.00 0.00 55.97 54.98 1c08 s LYS 13 Cb 0.06 -2.77 -0.11 0.00 -0.52 0.00 0.00 37.83 34.49 1c08 s LYS 13 CO -0.05 0.44 1.47 -2.30 -0.92 0.00 0.00 175.35 173.98 1c08 n PRO 14 N -1.11 2.59 -0.13 -1.68 -0.02 -1.26 -2.15 135.00 131.24 1c08 n PRO 14 Ca -0.08 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1c08 n PRO 14 Cb 0.57 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1c08 n PRO 14 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1c08 n SER 15 N 0.40 0.00 -3.15 2.55 7.64 0.15 -4.90 113.62 116.32 1c08 n SER 15 Ca 0.02 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.75 1c08 n SER 15 Cb 0.39 -0.08 0.10 0.00 -1.01 0.00 0.00 64.21 63.61 1c08 n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1c08 n GLN 16 N -2.00 -0.46 -3.80 1.43 10.64 -0.91 -3.85 117.38 118.43 1c08 n GLN 16 Ca 0.00 -1.24 -0.35 0.00 -1.83 0.00 0.00 57.00 53.58 1c08 n GLN 16 Cb 0.00 -0.65 -0.09 0.00 -0.86 0.00 0.00 30.24 28.64 1c08 n GLN 16 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1c08 s THR 17 N -2.32 5.18 -0.21 -0.39 2.01 -1.26 -1.47 115.64 117.17 1c08 s THR 17 Ca 0.40 0.11 -0.13 0.00 0.31 0.00 0.00 61.69 62.38 1c08 s THR 17 Cb -0.01 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 1c08 s THR 17 CO 0.28 0.43 0.29 -0.22 -0.69 0.00 0.00 174.62 174.70 1c08 s LEU 18 N 0.53 4.16 -0.09 4.42 2.96 -0.57 -4.91 118.68 125.18 1c08 s LEU 18 Ca 0.06 0.37 0.04 0.00 -0.22 0.00 0.00 54.13 54.38 1c08 s LEU 18 Cb -0.12 -2.33 0.00 0.00 0.50 0.00 0.00 46.19 44.24 1c08 s LEU 18 CO 0.00 0.01 -0.23 -0.44 -1.32 0.00 0.00 176.35 174.38 1c08 s SER 19 N 0.92 2.90 0.15 3.68 0.01 -1.26 -0.25 113.70 119.84 1c08 s SER 19 Ca 0.14 -0.52 0.08 0.00 1.31 0.00 0.00 55.95 56.96 1c08 s SER 19 Cb -0.14 -1.24 -0.04 0.00 0.21 0.00 0.00 66.02 64.82 1c08 s SER 19 CO 0.06 0.16 -0.17 -0.76 0.41 0.00 0.00 173.24 172.93 1c08 s LEU 20 N 0.30 2.41 -0.00 2.44 1.02 0.12 -4.56 118.68 120.41 1c08 s LEU 20 Ca -0.16 -0.83 0.08 0.00 0.02 0.00 0.00 54.13 53.24 1c08 s LEU 20 Cb -0.17 -0.76 -0.02 0.00 0.02 0.00 0.00 46.19 45.26 1c08 s LEU 20 CO 0.07 -0.05 -0.25 0.28 0.02 0.00 0.00 176.35 176.42 1c08 s THR 21 N -1.97 2.00 -0.28 5.49 -1.32 0.24 -1.77 115.64 118.03 1c08 s THR 21 Ca 0.13 -1.15 -0.04 0.00 -1.21 0.00 0.00 61.69 59.43 1c08 s THR 21 Cb -0.06 -1.67 0.03 0.00 -1.51 0.00 0.00 72.50 69.29 1c08 s THR 21 CO 0.05 0.50 0.01 0.00 -2.21 0.00 0.00 174.62 172.98 1c08 s SER 23 N 1.36 6.50 -0.15 0.00 0.01 -0.04 -1.63 113.70 119.75 1c08 s SER 23 Ca -0.01 0.59 -0.05 0.00 1.31 0.00 0.00 55.95 57.79 1c08 s SER 23 Cb -0.18 -2.23 -0.03 0.00 0.21 0.00 0.00 66.02 63.79 1c08 s SER 23 CO -0.01 -0.01 0.01 -0.69 0.41 0.00 0.00 173.24 172.95 1c08 s VAL 24 N 0.91 4.33 -0.02 3.43 1.01 -0.74 -1.38 120.40 127.94 1c08 s VAL 24 Ca 0.20 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 62.03 1c08 s VAL 24 Cb -0.14 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 1c08 s VAL 24 CO 0.07 0.51 -0.18 -0.89 0.00 0.00 0.00 175.10 174.61 1c08 s THR 25 N 0.09 1.45 0.00 3.92 2.01 0.45 -4.79 115.64 118.76 1c08 s THR 25 Ca 0.02 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.24 1c08 s THR 25 Cb -0.13 -1.21 0.00 0.00 0.01 0.00 0.00 72.50 71.17 1c08 s THR 25 CO 0.02 0.41 0.00 0.61 -0.69 0.00 0.00 174.62 174.97 1c08 n GLY 26 N 2.68 2.17 3.73 4.40 0.00 -1.25 0.23 105.19 117.15 1c08 n GLY 26 Ca -0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 1c08 n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1c08 s ASP 27 N -1.68 -0.26 0.47 1.61 -1.08 -1.26 -4.61 116.67 109.86 1c08 s ASP 27 Ca 0.00 -0.38 -0.14 0.00 -0.52 0.00 0.00 52.55 51.50 1c08 s ASP 27 Cb 0.00 0.56 -0.07 0.00 -1.46 0.00 0.00 42.92 41.95 1c08 s ASP 27 CO 0.00 -1.01 0.91 -0.55 0.52 0.00 0.00 175.17 175.03 1c08 s SER 28 N -2.86 6.59 0.48 -0.34 0.15 -1.26 -4.93 113.70 111.53 1c08 s SER 28 Ca 0.10 1.42 0.30 0.00 0.70 0.00 0.00 55.95 58.47 1c08 s SER 28 Cb -0.03 -2.44 1.14 0.00 -1.71 0.00 0.00 66.02 62.98 1c08 s SER 28 CO 0.01 -0.51 1.88 0.16 1.20 0.00 0.00 173.24 175.98 1c08 h ILE 29 N 1.01 0.00 0.00 6.45 3.07 -1.91 -2.36 117.51 123.77 1c08 h ILE 29 Ca -0.47 -0.54 0.00 0.00 1.55 0.00 0.00 64.86 65.40 1c08 h ILE 29 Cb 1.19 1.50 0.00 0.00 -0.27 0.00 0.00 36.82 39.24 1c08 h ILE 29 CO 0.62 0.00 0.00 0.35 -1.05 0.00 0.00 178.15 178.07 1c08 n THR 30 N -2.94 0.87 0.24 0.16 -2.24 -1.26 -3.03 114.28 106.07 1c08 n THR 30 Ca 0.01 0.22 0.08 0.00 -2.27 0.00 0.00 64.05 62.09 1c08 n THR 30 Cb 0.33 -0.96 0.24 0.00 -2.10 0.00 0.00 70.33 67.84 1c08 n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1c08 n SER 31 N -1.45 3.03 -2.06 3.42 7.64 -0.89 -4.98 113.62 118.33 1c08 n SER 31 Ca 0.05 -2.10 -0.05 0.00 1.01 0.00 0.00 58.87 57.77 1c08 n SER 31 Cb 0.16 -0.39 0.02 0.00 -1.01 0.00 0.00 64.21 62.99 1c08 n SER 31 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1c08 n ASP 32 N 0.93 -1.34 -4.67 6.43 -0.08 -1.17 -5.06 116.55 111.59 1c08 n ASP 32 Ca 0.18 -1.95 -0.34 0.00 -1.51 0.00 0.00 54.79 51.17 1c08 n ASP 32 Cb 0.51 2.24 -0.09 0.00 2.34 0.00 0.00 41.12 46.12 1c08 n ASP 32 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1c08 s TYR 33 N -4.90 3.10 -0.00 -0.67 1.51 -1.26 -4.43 117.35 110.70 1c08 s TYR 33 Ca 0.10 0.12 0.03 0.00 -1.01 0.00 0.00 57.07 56.31 1c08 s TYR 33 Cb -0.03 -1.73 -0.01 0.00 -0.11 0.00 0.00 41.96 40.09 1c08 s TYR 33 CO 0.07 0.45 -0.10 -1.58 -1.11 0.00 0.00 175.55 173.28 1c08 s TRP 34 N -0.97 0.94 0.33 2.71 0.52 -0.98 -1.90 118.94 119.58 1c08 s TRP 34 Ca 0.16 -0.20 0.03 0.00 0.02 0.00 0.00 56.10 56.11 1c08 s TRP 34 Cb -0.11 -0.60 -0.04 0.00 -1.15 0.00 0.00 33.47 31.57 1c08 s TRP 34 CO 0.06 -0.01 0.12 -1.12 0.02 0.00 0.00 176.95 176.02 1c08 s SER 35 N -0.37 2.00 -0.03 2.95 0.01 0.19 -0.80 113.70 117.66 1c08 s SER 35 Ca 0.03 -1.52 0.01 0.00 1.31 0.00 0.00 55.95 55.78 1c08 s SER 35 Cb -0.04 0.28 0.03 0.00 0.21 0.00 0.00 66.02 66.49 1c08 s SER 35 CO -0.00 -0.81 -0.01 0.26 0.41 0.00 0.00 173.24 173.08 1c08 s TRP 36 N -3.45 0.39 0.07 2.43 0.52 -0.61 -2.49 118.94 115.80 1c08 s TRP 36 Ca 0.33 -0.04 0.05 0.00 0.02 0.00 0.00 56.10 56.46 1c08 s TRP 36 Cb 0.06 -0.44 -0.03 0.00 -1.15 0.00 0.00 33.47 31.90 1c08 s TRP 36 CO 0.16 -0.13 -0.13 0.42 0.02 0.00 0.00 176.95 177.28 1c08 s ILE 37 N 0.96 1.06 0.02 2.03 1.09 -0.28 -1.30 121.20 124.79 1c08 s ILE 37 Ca -0.10 -1.35 0.00 0.00 -1.10 0.00 0.00 60.65 58.11 1c08 s ILE 37 Cb -0.14 -1.09 -0.02 0.00 -1.06 0.00 0.00 42.46 40.16 1c08 s ILE 37 CO -0.01 -0.29 -0.04 0.00 -0.10 0.00 0.00 174.94 174.50 1c08 s ARG 38 N -1.89 0.35 -0.18 2.79 1.70 -0.70 0.08 118.95 121.10 1c08 s ARG 38 Ca -0.01 -0.63 0.00 0.00 -0.47 0.00 0.00 55.73 54.62 1c08 s ARG 38 Cb -0.09 0.01 0.01 0.00 -0.57 0.00 0.00 34.95 34.31 1c08 s ARG 38 CO 0.02 -0.03 -0.16 0.21 -1.08 0.00 0.00 175.30 174.26 1c08 s LYS 39 N -1.44 3.11 0.60 3.89 2.20 0.16 -0.57 119.74 127.69 1c08 s LYS 39 Ca -0.14 -0.78 -0.13 0.00 -0.36 0.00 0.00 55.97 54.57 1c08 s LYS 39 Cb -0.10 -2.66 -0.04 0.00 -1.51 0.00 0.00 37.83 33.52 1c08 s LYS 39 CO -0.01 -0.15 1.02 -0.06 -0.36 0.00 0.00 175.35 175.80 1c08 s PHE 40 N 1.20 3.48 0.33 4.03 0.08 0.23 -0.79 117.98 126.54 1c08 s PHE 40 Ca 0.02 1.37 0.22 0.00 0.12 0.00 0.00 56.93 58.66 1c08 s PHE 40 Cb -0.14 -2.77 1.16 0.00 -0.57 0.00 0.00 43.02 40.70 1c08 s PHE 40 CO -0.08 -0.69 1.28 -2.30 -0.10 0.00 0.00 175.22 173.33 1c08 n PRO 41 N -2.44 -0.04 -1.65 0.24 -0.02 -1.26 -1.88 135.00 127.95 1c08 n PRO 41 Ca 0.06 1.07 -0.36 0.00 -2.02 0.00 0.00 63.50 62.25 1c08 n PRO 41 Cb 0.54 -2.01 0.04 0.00 -0.02 0.00 0.00 33.50 32.04 1c08 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1c08 n GLY 42 N -1.33 5.40 3.22 -1.23 0.00 -1.26 -4.83 105.19 105.16 1c08 n GLY 42 Ca 0.32 -2.28 -0.23 0.00 0.00 0.00 0.00 46.02 43.82 1c08 n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1c08 n ASN 43 N -0.42 -6.17 -4.54 1.61 4.13 -0.79 -4.97 115.26 104.11 1c08 n ASN 43 Ca 0.55 -0.38 -0.35 0.00 1.68 0.00 0.00 54.58 56.08 1c08 n ASN 43 Cb 0.41 -4.94 -0.11 0.00 -1.54 0.00 0.00 39.78 33.59 1c08 n ASN 43 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 1c08 s ARG 44 N -5.92 3.80 -0.04 3.52 3.52 -1.17 -4.92 118.95 117.74 1c08 s ARG 44 Ca 0.40 -0.43 -0.03 0.00 -0.13 0.00 0.00 55.73 55.54 1c08 s ARG 44 Cb -0.18 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 30.00 1c08 s ARG 44 CO 0.49 0.12 0.12 -0.51 -0.81 0.00 0.00 175.30 174.72 1c08 s LEU 45 N 0.75 4.15 -0.06 -0.88 1.43 -1.26 0.77 118.68 123.57 1c08 s LEU 45 Ca 0.02 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 1c08 s LEU 45 Cb -0.14 -2.30 0.02 0.00 0.03 0.00 0.00 46.19 43.81 1c08 s LEU 45 CO 0.02 0.31 -0.03 -0.70 0.23 0.00 0.00 176.35 176.18 1c08 s GLU 46 N -1.56 0.80 -0.21 1.70 2.12 0.26 -4.99 118.70 116.82 1c08 s GLU 46 Ca 0.22 -0.05 -0.29 0.00 0.36 0.00 0.00 54.97 55.21 1c08 s GLU 46 Cb -0.12 -0.93 0.01 0.00 0.26 0.00 0.00 34.13 33.35 1c08 s GLU 46 CO 0.12 -0.16 1.04 -0.47 -0.54 0.00 0.00 175.26 175.24 1c08 s TYR 47 N 1.29 3.36 -0.18 5.30 6.14 -1.26 -1.72 117.35 130.29 1c08 s TYR 47 Ca -0.05 1.49 -0.22 0.00 0.64 0.00 0.00 57.07 58.92 1c08 s TYR 47 Cb -0.14 -3.26 -0.22 0.00 0.42 0.00 0.00 41.96 38.77 1c08 s TYR 47 CO -0.02 -0.45 0.39 0.52 0.64 0.00 0.00 175.55 176.63 1c08 h MET 48 N 7.40 0.03 0.00 4.97 2.86 -1.56 -3.41 114.93 125.23 1c08 h MET 48 Ca -0.21 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 1c08 h MET 48 Cb 1.07 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.75 1c08 h MET 48 CO 0.96 1.03 0.00 0.41 1.06 0.00 0.00 176.91 180.37 1c08 n GLY 49 N 1.52 -0.83 3.26 8.32 0.00 -1.18 -0.37 105.19 115.92 1c08 n GLY 49 Ca -0.26 -1.09 -0.11 0.00 0.00 0.00 0.00 46.02 44.56 1c08 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1c08 s TYR 50 N -2.00 -0.07 -0.08 1.61 1.13 -0.63 -1.57 117.35 115.74 1c08 s TYR 50 Ca 0.00 -0.19 0.03 0.00 -1.41 0.00 0.00 57.07 55.50 1c08 s TYR 50 Cb 0.00 0.10 -0.02 0.00 -1.10 0.00 0.00 41.96 40.95 1c08 s TYR 50 CO 0.00 -0.57 -0.18 0.08 -2.51 0.00 0.00 175.55 172.37 1c08 s VAL 51 N -3.25 2.71 0.47 -3.49 1.01 0.02 -1.72 120.40 116.14 1c08 s VAL 51 Ca -0.00 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.23 1c08 s VAL 51 Cb 0.01 -2.07 0.01 0.00 0.00 0.00 0.00 36.38 34.34 1c08 s VAL 51 CO -0.08 0.56 0.45 -0.94 0.00 0.00 0.00 175.10 175.10 1c08 s SER 52 N -0.17 5.02 0.51 3.32 1.04 0.04 -2.32 113.70 121.14 1c08 s SER 52 Ca -0.01 -0.84 0.18 0.00 0.48 0.00 0.00 55.95 55.75 1c08 s SER 52 Cb -0.14 -0.25 1.27 0.00 0.10 0.00 0.00 66.02 67.00 1c08 s SER 52 CO 0.03 -0.85 2.10 0.10 0.98 0.00 0.00 173.24 175.60 1c08 h TYR 53 N 0.82 0.05 0.00 5.02 -0.00 -1.87 0.72 116.97 121.71 1c08 h TYR 53 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.34 1c08 h TYR 53 Cb 1.28 -0.02 0.00 0.00 -0.00 0.00 0.00 36.73 37.99 1c08 h TYR 53 CO 0.59 0.03 0.00 -1.13 -0.00 0.00 0.00 178.16 177.65 1c08 n SER 54 N -4.49 0.00 0.00 0.10 3.41 -1.26 -4.88 113.62 106.50 1c08 n SER 54 Ca 0.01 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 1c08 n SER 54 Cb 0.23 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 1c08 n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c08 n GLY 55 N 1.23 0.11 3.76 5.00 0.00 0.25 -5.07 105.19 110.47 1c08 n GLY 55 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1c08 n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1c08 s SER 56 N -2.18 4.76 0.05 1.61 1.04 -1.26 -4.70 113.70 113.02 1c08 s SER 56 Ca 0.00 2.02 0.04 0.00 0.48 0.00 0.00 55.95 58.49 1c08 s SER 56 Cb 0.00 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 63.55 1c08 s SER 56 CO 0.00 -1.87 -0.13 0.42 0.98 0.00 0.00 173.24 172.65 1c08 s THR 57 N -2.43 0.97 -0.07 2.02 -4.23 -1.26 -0.78 115.64 109.86 1c08 s THR 57 Ca 0.67 -1.11 0.02 0.00 -1.18 0.00 0.00 61.69 60.09 1c08 s THR 57 Cb -0.21 -0.93 0.01 0.00 1.34 0.00 0.00 72.50 72.72 1c08 s THR 57 CO 0.46 -0.16 -0.12 -0.31 -0.54 0.00 0.00 174.62 173.94 1c08 s TYR 58 N -1.09 1.51 0.06 3.99 2.02 -0.70 -5.01 117.35 118.14 1c08 s TYR 58 Ca -0.02 -0.58 0.08 0.00 -0.37 0.00 0.00 57.07 56.18 1c08 s TYR 58 Cb -0.09 -1.11 -0.03 0.00 -0.40 0.00 0.00 41.96 40.33 1c08 s TYR 58 CO 0.01 -0.30 -0.23 0.71 -1.57 0.00 0.00 175.55 174.17 1c08 s TYR 59 N 0.73 1.96 0.16 2.71 2.02 -1.26 -1.61 117.35 122.06 1c08 s TYR 59 Ca -0.13 -0.39 -0.30 0.00 -0.37 0.00 0.00 57.07 55.87 1c08 s TYR 59 Cb -0.16 -1.14 -0.08 0.00 -0.40 0.00 0.00 41.96 40.19 1c08 s TYR 59 CO 0.03 0.15 1.26 1.21 -1.57 0.00 0.00 175.55 176.62 1c08 s ASN 60 N -1.43 6.99 0.58 2.29 3.84 0.51 -4.90 114.94 122.82 1c08 s ASN 60 Ca 0.09 2.25 0.36 0.00 0.21 0.00 0.00 52.86 55.77 1c08 s ASN 60 Cb -0.09 -2.60 1.73 0.00 -0.55 0.00 0.00 41.25 39.74 1c08 s ASN 60 CO 0.03 -0.47 2.13 -0.65 -2.79 0.00 0.00 177.10 175.34 1c08 h PRO 61 N 5.80 0.00 0.00 0.43 0.11 -1.95 -1.61 132.00 134.78 1c08 h PRO 61 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1c08 h PRO 61 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1c08 h PRO 61 CO 0.78 0.03 0.00 0.66 -0.21 0.00 0.00 178.00 179.27 1c08 h SER 62 N 0.00 0.00 -0.02 -2.05 4.64 -1.97 -0.72 113.55 113.43 1c08 h SER 62 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1c08 h SER 62 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1c08 h SER 62 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1c08 n LEU 63 N -2.81 1.38 -3.64 5.97 7.99 -0.60 -4.95 117.00 120.33 1c08 n LEU 63 Ca -0.02 -0.47 -0.27 0.00 -0.01 0.00 0.00 56.01 55.23 1c08 n LEU 63 Cb 0.06 -0.01 0.02 0.00 -0.11 0.00 0.00 43.42 43.38 1c08 n LEU 63 CO 0.17 0.24 0.05 0.29 -1.51 0.00 0.00 177.39 176.62 1c08 n LYS 64 N 0.09 -4.72 -2.44 3.23 4.76 -0.28 -1.62 118.16 117.17 1c08 n LYS 64 Ca 0.19 0.59 -0.20 0.00 -2.87 0.00 0.00 58.31 56.02 1c08 n LYS 64 Cb 0.33 -5.42 -0.01 0.00 -1.84 0.00 0.00 35.03 28.09 1c08 n LYS 64 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1c08 n SER 65 N -2.62 -5.76 -0.88 4.39 7.64 -1.26 -4.87 113.62 110.26 1c08 n SER 65 Ca 0.01 -0.04 0.12 0.00 1.01 0.00 0.00 58.87 59.96 1c08 n SER 65 Cb 0.54 -4.76 0.13 0.00 -1.01 0.00 0.00 64.21 59.11 1c08 n SER 65 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1c08 n ARG 66 N -3.03 2.19 -4.17 1.43 1.74 -0.64 -4.94 116.66 109.24 1c08 n ARG 66 Ca -0.23 -1.78 -0.31 0.00 -0.77 0.00 0.00 57.85 54.77 1c08 n ARG 66 Cb 0.67 -1.46 -0.08 0.00 -1.02 0.00 0.00 32.46 30.57 1c08 n ARG 66 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1c08 s ILE 67 N -2.03 4.18 -0.02 0.55 2.07 -1.26 -0.53 121.20 124.16 1c08 s ILE 67 Ca 0.28 -0.79 0.01 0.00 -1.41 0.00 0.00 60.65 58.74 1c08 s ILE 67 Cb 0.20 -2.95 0.02 0.00 0.13 0.00 0.00 42.46 39.86 1c08 s ILE 67 CO 0.32 0.22 -0.01 -0.55 -1.91 0.00 0.00 174.94 173.01 1c08 s SER 68 N -2.03 0.37 -0.05 4.50 0.15 -0.29 -5.00 113.70 111.35 1c08 s SER 68 Ca 0.24 -0.03 0.05 0.00 0.70 0.00 0.00 55.95 56.91 1c08 s SER 68 Cb -0.12 -0.15 -0.02 0.00 -1.71 0.00 0.00 66.02 64.02 1c08 s SER 68 CO 0.16 -0.05 -0.20 -0.63 1.20 0.00 0.00 173.24 173.72 1c08 s ILE 69 N 0.62 2.52 0.11 6.45 1.01 -1.26 -1.17 121.20 129.48 1c08 s ILE 69 Ca -0.06 -0.91 -0.06 0.00 0.00 0.00 0.00 60.65 59.62 1c08 s ILE 69 Cb -0.09 -1.95 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 1c08 s ILE 69 CO -0.01 0.58 0.15 0.28 0.00 0.00 0.00 174.94 175.93 1c08 s THR 70 N -0.44 0.13 0.07 2.92 -1.32 -0.78 -4.95 115.64 111.27 1c08 s THR 70 Ca 0.05 -1.51 0.04 0.00 -1.21 0.00 0.00 61.69 59.06 1c08 s THR 70 Cb -0.12 -1.67 -0.03 0.00 -1.51 0.00 0.00 72.50 69.17 1c08 s THR 70 CO 0.01 -0.57 -0.11 0.00 -2.21 0.00 0.00 174.62 171.75 1c08 s ARG 71 N -3.94 0.75 -0.31 7.08 1.70 -1.26 0.70 118.95 123.66 1c08 s ARG 71 Ca 0.13 -0.98 0.03 0.00 -0.47 0.00 0.00 55.73 54.44 1c08 s ARG 71 Cb 0.06 -0.56 0.09 0.00 -0.57 0.00 0.00 34.95 33.96 1c08 s ARG 71 CO -0.05 0.11 0.03 0.34 -1.08 0.00 0.00 175.30 174.65 1c08 s ASP 72 N -1.97 4.49 0.50 -2.89 -1.08 0.19 -4.98 116.67 110.93 1c08 s ASP 72 Ca -0.01 -1.86 0.24 0.00 -0.52 0.00 0.00 52.55 50.39 1c08 s ASP 72 Cb -0.07 -1.43 1.31 0.00 -1.46 0.00 0.00 42.92 41.27 1c08 s ASP 72 CO 0.01 -0.35 2.04 0.74 0.52 0.00 0.00 175.17 178.13 1c08 h THR 73 N 6.61 0.72 0.00 1.71 2.02 -1.97 -0.56 112.91 121.44 1c08 h THR 73 Ca -0.09 -0.60 -0.03 0.00 0.77 0.00 0.00 66.41 66.45 1c08 h THR 73 Cb 1.03 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.80 1c08 h THR 73 CO 0.49 0.14 -0.41 0.77 0.37 0.00 0.00 175.52 176.89 1c08 h SER 74 N 0.00 0.00 0.00 4.18 4.64 -1.95 -3.12 113.55 117.30 1c08 h SER 74 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1c08 h SER 74 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1c08 h SER 74 CO 0.02 0.14 -0.93 0.29 -0.87 0.00 0.00 176.83 175.49 1c08 n LYS 75 N -3.02 0.82 -3.43 4.77 5.02 -0.98 -4.99 118.16 116.35 1c08 n LYS 75 Ca 0.02 -0.01 -0.20 0.00 -2.02 0.00 0.00 58.31 56.10 1c08 n LYS 75 Cb 0.60 -1.38 0.07 0.00 -0.02 0.00 0.00 35.03 34.30 1c08 n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1c08 n ASN 76 N -1.47 -4.73 -4.32 4.39 4.05 -0.25 -4.87 115.26 108.05 1c08 n ASN 76 Ca 0.03 -0.51 -0.17 0.00 0.45 0.00 0.00 54.58 54.39 1c08 n ASN 76 Cb 0.30 -4.61 -0.10 0.00 1.23 0.00 0.00 39.78 36.60 1c08 n ASN 76 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1c08 s GLN 77 N -5.88 1.31 0.09 1.20 -0.21 -1.05 -1.79 119.66 113.32 1c08 s GLN 77 Ca 0.36 -1.66 -0.04 0.00 0.02 0.00 0.00 55.36 54.05 1c08 s GLN 77 Cb -0.16 -0.60 -0.03 0.00 1.00 0.00 0.00 33.01 33.23 1c08 s GLN 77 CO 0.66 -0.09 0.08 1.52 -2.12 0.00 0.00 175.29 175.33 1c08 s TYR 78 N -3.43 0.46 0.09 0.91 1.13 -0.65 -0.64 117.35 115.23 1c08 s TYR 78 Ca 0.28 -0.93 0.04 0.00 -1.41 0.00 0.00 57.07 55.05 1c08 s TYR 78 Cb 0.05 -0.28 -0.03 0.00 -1.10 0.00 0.00 41.96 40.60 1c08 s TYR 78 CO 0.08 -0.48 -0.11 0.71 -2.51 0.00 0.00 175.55 173.23 1c08 s TYR 79 N -3.93 1.10 -0.14 -3.49 2.02 0.22 -0.14 117.35 112.99 1c08 s TYR 79 Ca 0.10 -0.58 0.02 0.00 -0.37 0.00 0.00 57.07 56.24 1c08 s TYR 79 Cb 0.07 -0.60 0.01 0.00 -0.40 0.00 0.00 41.96 41.04 1c08 s TYR 79 CO -0.07 0.02 -0.19 -1.17 -1.57 0.00 0.00 175.55 172.57 1c08 s LEU 80 N -2.17 1.98 -0.12 -1.29 2.96 -0.73 -1.86 118.68 117.44 1c08 s LEU 80 Ca 0.02 -0.56 0.01 0.00 -0.22 0.00 0.00 54.13 53.38 1c08 s LEU 80 Cb -0.06 -1.34 -0.01 0.00 0.50 0.00 0.00 46.19 45.28 1c08 s LEU 80 CO 0.01 0.04 -0.16 -1.81 -1.32 0.00 0.00 176.35 173.10 1c08 s ASP 81 N 1.01 3.73 -0.25 3.68 1.01 -0.32 0.14 116.67 125.66 1c08 s ASP 81 Ca -0.04 -0.40 0.00 0.00 0.71 0.00 0.00 52.55 52.82 1c08 s ASP 81 Cb -0.15 -1.55 0.07 0.00 1.01 0.00 0.00 42.92 42.31 1c08 s ASP 81 CO -0.05 0.16 0.00 -0.22 0.21 0.00 0.00 175.17 175.27 1c08 s LEU 82 N 0.37 2.53 0.64 1.23 2.96 0.65 -1.13 118.68 125.93 1c08 s LEU 82 Ca -0.13 -1.32 -0.10 0.00 -0.22 0.00 0.00 54.13 52.36 1c08 s LEU 82 Cb -0.16 -1.08 -0.01 0.00 0.50 0.00 0.00 46.19 45.43 1c08 s LEU 82 CO 0.06 -0.30 1.03 0.20 -1.32 0.00 0.00 176.35 176.03 1c08 s ASN 83 N 1.46 5.87 -1.14 3.68 0.01 0.31 -1.51 114.94 123.62 1c08 s ASN 83 Ca -0.00 1.22 -0.28 0.00 -0.71 0.00 0.00 52.86 53.09 1c08 s ASN 83 Cb -0.18 -2.18 0.03 0.00 0.41 0.00 0.00 41.25 39.33 1c08 s ASN 83 CO -0.10 -1.05 0.68 -1.20 -1.51 0.00 0.00 177.10 173.91 1c08 n SER 84 N -2.81 -4.40 -4.79 -1.22 7.64 -1.04 -4.89 113.62 102.11 1c08 n SER 84 Ca 0.06 -1.21 -0.32 0.00 1.01 0.00 0.00 58.87 58.40 1c08 n SER 84 Cb 0.56 -1.83 0.04 0.00 -1.01 0.00 0.00 64.21 61.96 1c08 n SER 84 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1c08 s VAL 85 N -3.42 3.51 0.46 0.44 -7.23 -0.54 -4.60 120.40 109.01 1c08 s VAL 85 Ca 0.41 0.65 0.03 0.00 -1.81 0.00 0.00 61.98 61.25 1c08 s VAL 85 Cb -0.22 -3.19 -0.02 0.00 0.56 0.00 0.00 36.38 33.51 1c08 s VAL 85 CO 0.95 -0.48 0.07 0.42 -0.31 0.00 0.00 175.10 175.75 1c08 s THR 86 N -2.52 0.86 0.59 5.32 -4.23 -1.26 0.35 115.64 114.74 1c08 s THR 86 Ca 0.64 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.44 1c08 s THR 86 Cb -0.18 -2.25 0.35 0.00 1.34 0.00 0.00 72.50 71.76 1c08 s THR 86 CO 0.43 0.00 2.24 0.71 -0.54 0.00 0.00 174.62 177.46 1c08 h THR 87 N 1.57 0.56 0.00 3.99 1.35 -1.97 0.23 112.91 118.64 1c08 h THR 87 Ca -0.39 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1c08 h THR 87 Cb 1.29 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1c08 h THR 87 CO 0.65 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.30 1c08 n GLU 88 N -3.90 0.03 -0.03 4.72 4.71 -1.26 -2.24 120.64 122.67 1c08 n GLU 88 Ca -0.03 0.32 0.13 0.00 -0.01 0.00 0.00 57.16 57.57 1c08 n GLU 88 Cb 0.10 -1.56 0.43 0.00 -1.01 0.00 0.00 31.44 29.41 1c08 n GLU 88 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1c08 n ASP 89 N -1.61 1.76 -4.66 1.62 8.00 0.79 -4.89 116.55 117.57 1c08 n ASP 89 Ca 0.03 -1.62 -0.42 0.00 0.71 0.00 0.00 54.79 53.48 1c08 n ASP 89 Cb 0.15 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.19 1c08 n ASP 89 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1c08 s THR 90 N -1.93 3.52 0.10 -3.53 2.01 -0.95 -4.85 115.64 110.01 1c08 s THR 90 Ca 0.36 0.62 -0.19 0.00 0.31 0.00 0.00 61.69 62.79 1c08 s THR 90 Cb 0.20 -3.41 0.07 0.00 0.01 0.00 0.00 72.50 69.37 1c08 s THR 90 CO 0.31 -0.06 0.89 0.00 -0.69 0.00 0.00 174.62 175.07 1c08 n ALA 91 N 7.29 -2.39 -2.98 7.40 0.00 -0.83 -4.47 120.51 124.53 1c08 n ALA 91 Ca 0.18 -0.77 -0.34 0.00 0.00 0.00 0.00 53.44 52.51 1c08 n ALA 91 Cb 0.43 0.35 -0.12 0.00 0.00 0.00 0.00 19.45 20.11 1c08 n ALA 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1c08 s THR 92 N -2.12 4.13 -0.10 0.00 2.01 0.03 -1.31 115.64 118.27 1c08 s THR 92 Ca 0.20 -0.26 -0.04 0.00 0.31 0.00 0.00 61.69 61.90 1c08 s THR 92 Cb -0.02 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 1c08 s THR 92 CO 0.03 0.45 0.06 -0.31 -0.69 0.00 0.00 174.62 174.16 1c08 s TYR 93 N 0.65 3.34 0.06 4.92 1.51 -0.29 0.39 117.35 127.93 1c08 s TYR 93 Ca -0.00 0.32 0.04 0.00 -1.01 0.00 0.00 57.07 56.42 1c08 s TYR 93 Cb -0.14 -1.86 -0.03 0.00 -0.11 0.00 0.00 41.96 39.82 1c08 s TYR 93 CO 0.02 0.56 -0.12 0.71 -1.11 0.00 0.00 175.55 175.61 1c08 s TYR 94 N -0.88 1.05 0.11 2.71 1.51 0.11 -1.32 117.35 120.64 1c08 s TYR 94 Ca 0.13 -0.45 0.04 0.00 -1.01 0.00 0.00 57.07 55.79 1c08 s TYR 94 Cb -0.12 -0.61 -0.04 0.00 -0.11 0.00 0.00 41.96 41.09 1c08 s TYR 94 CO 0.03 0.02 0.08 0.00 -1.11 0.00 0.00 175.55 174.56 1c08 s ALA 96 N -1.49 -1.59 0.79 0.00 0.00 -1.04 -0.07 121.76 118.37 1c08 s ALA 96 Ca 0.29 0.81 -0.12 0.00 0.00 0.00 0.00 51.96 52.95 1c08 s ALA 96 Cb -0.11 0.44 0.07 0.00 0.00 0.00 0.00 23.12 23.51 1c08 s ALA 96 CO 0.22 -0.56 1.10 0.54 0.00 0.00 0.00 175.76 177.06 1c08 s ASN 97 N -1.99 4.57 0.20 0.00 6.03 -0.71 -0.64 114.94 122.40 1c08 s ASN 97 Ca -0.05 1.24 -0.09 0.00 -1.03 0.00 0.00 52.86 52.93 1c08 s ASN 97 Cb -0.01 -1.97 0.13 0.00 -3.03 0.00 0.00 41.25 36.38 1c08 s ASN 97 CO -0.02 -1.91 1.77 -0.25 -2.03 0.00 0.00 177.10 174.66 1c08 h TRP 98 N -1.05 1.08 0.00 1.54 7.01 -1.71 -2.22 115.95 120.60 1c08 h TRP 98 Ca -0.47 -0.07 -0.02 0.00 2.11 0.00 0.00 58.89 60.44 1c08 h TRP 98 Cb 1.27 -0.33 -0.00 0.00 -2.10 0.00 0.00 29.16 28.00 1c08 h TRP 98 CO 0.45 0.82 -0.10 -0.44 -2.79 0.00 0.00 178.44 176.39 1c08 h ASP 99 N 1.03 0.00 0.00 2.65 3.32 -1.93 -3.46 116.42 118.03 1c08 h ASP 99 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1c08 h ASP 99 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1c08 h ASP 99 CO -0.02 0.10 0.00 0.61 -1.72 0.00 0.00 179.24 178.20 1c08 n GLY 100 N -1.00 0.70 0.13 2.75 0.00 -0.84 -4.96 105.19 101.97 1c08 n GLY 100 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 1c08 n GLY 100 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1c08 h ASP 101 N 0.00 0.61 -3.42 1.61 3.32 -1.90 -3.45 116.42 113.19 1c08 h ASP 101 Ca 0.00 -0.68 -0.63 0.00 0.02 0.00 0.00 57.03 55.74 1c08 h ASP 101 Cb 0.00 -0.20 -0.19 0.00 0.22 0.00 0.00 39.33 39.16 1c08 h ASP 101 CO 0.00 1.54 -0.60 -0.31 -1.72 0.00 0.00 179.24 178.15 1c08 s TYR 102 N -2.62 3.15 0.16 4.55 2.02 -1.26 -5.03 117.35 118.31 1c08 s TYR 102 Ca -0.07 -0.16 0.10 0.00 -0.37 0.00 0.00 57.07 56.57 1c08 s TYR 102 Cb 0.06 -2.11 -0.04 0.00 -0.40 0.00 0.00 41.96 39.46 1c08 s TYR 102 CO 0.90 -0.06 -0.23 -1.58 -1.57 0.00 0.00 175.55 173.02 1c08 s TRP 103 N 0.80 2.12 0.56 2.71 0.52 -1.26 -1.74 118.94 122.65 1c08 s TRP 103 Ca 0.03 -0.40 -0.06 0.00 0.02 0.00 0.00 56.10 55.69 1c08 s TRP 103 Cb -0.14 -1.09 0.12 0.00 -1.15 0.00 0.00 33.47 31.21 1c08 s TRP 103 CO 0.02 0.38 0.77 0.41 0.02 0.00 0.00 176.95 178.55 1c08 n GLY 104 N 0.56 -0.44 0.22 0.98 0.00 0.91 -4.56 105.19 102.86 1c08 n GLY 104 Ca -0.15 -1.83 0.14 0.00 0.00 0.00 0.00 46.02 44.17 1c08 n GLY 104 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1c08 h GLN 105 N 0.00 0.00 0.00 1.61 3.07 -1.90 -3.45 115.11 114.44 1c08 h GLN 105 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.49 1c08 h GLN 105 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.34 1c08 h GLN 105 CO 0.21 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.54 1c08 n GLY 106 N 0.80 2.31 2.80 0.06 0.00 -1.26 -5.06 105.19 104.83 1c08 n GLY 106 Ca 0.03 -1.58 -0.18 0.00 0.00 0.00 0.00 46.02 44.30 1c08 n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1c08 s THR 107 N -1.06 0.17 -0.16 2.61 -1.32 -0.43 -4.92 115.64 110.51 1c08 s THR 107 Ca 0.00 0.13 -0.28 0.00 -1.21 0.00 0.00 61.69 60.32 1c08 s THR 107 Cb 0.00 -0.29 -0.01 0.00 -1.51 0.00 0.00 72.50 70.70 1c08 s THR 107 CO 0.00 0.16 0.98 -0.22 -2.21 0.00 0.00 174.62 173.33 1c08 s LEU 108 N 1.25 4.18 -0.13 9.08 2.96 -1.26 -1.14 118.68 133.62 1c08 s LEU 108 Ca -0.07 1.41 0.00 0.00 -0.22 0.00 0.00 54.13 55.26 1c08 s LEU 108 Cb -0.13 -3.48 -0.01 0.00 0.50 0.00 0.00 46.19 43.06 1c08 s LEU 108 CO -0.02 -0.51 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.66 1c08 s VAL 109 N 2.43 2.86 -0.08 1.68 1.01 -0.42 -4.59 120.40 123.28 1c08 s VAL 109 Ca 0.45 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.71 1c08 s VAL 109 Cb -0.17 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 1c08 s VAL 109 CO 0.13 0.52 -0.09 -0.89 0.00 0.00 0.00 175.10 174.78 1c08 s THR 110 N 0.46 3.52 -0.40 3.92 2.01 0.18 -1.97 115.64 123.35 1c08 s THR 110 Ca -0.11 -0.54 -0.14 0.00 0.31 0.00 0.00 61.69 61.21 1c08 s THR 110 Cb -0.16 -2.44 0.02 0.00 0.01 0.00 0.00 72.50 69.93 1c08 s THR 110 CO 0.05 0.58 0.28 -0.69 -0.69 0.00 0.00 174.62 174.15 1c08 s VAL 111 N -0.56 5.10 -0.11 3.82 1.01 -1.26 -2.00 120.40 126.40 1c08 s VAL 111 Ca 0.08 -0.71 -0.23 0.00 0.00 0.00 0.00 61.98 61.12 1c08 s VAL 111 Cb -0.12 -3.84 0.05 0.00 0.00 0.00 0.00 36.38 32.47 1c08 s VAL 111 CO 0.02 -0.30 0.55 -0.94 0.00 0.00 0.00 175.10 174.43 1c08 s SER 112 N 1.65 -0.52 -0.51 3.32 1.04 0.58 -4.59 113.70 114.67 1c08 s SER 112 Ca 0.04 0.75 -0.26 0.00 0.48 0.00 0.00 55.95 56.96 1c08 s SER 112 Cb -0.19 0.74 -0.06 0.00 0.10 0.00 0.00 66.02 66.62 1c08 s SER 112 CO 0.09 -0.40 2.26 0.00 0.98 0.00 0.00 173.24 176.17 1c08 s ALA 113 N -0.61 1.81 0.00 5.32 0.00 -1.26 -4.30 121.76 122.72 1c08 s ALA 113 Ca -0.07 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1c08 s ALA 113 Cb -0.03 -4.32 0.00 0.00 0.00 0.00 0.00 23.12 18.77 1c08 s ALA 113 CO 0.05 -4.25 0.00 0.00 0.00 0.00 0.00 175.76 171.55