#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x18 s THR 5 N 0.00 1.36 -0.21 2.52 -4.23 -1.26 -4.93 115.64 108.89 2x18 s THR 5 Ca 0.00 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.31 2x18 s THR 5 Cb 0.00 -2.82 -0.03 0.00 1.34 0.00 0.00 72.50 70.99 2x18 s THR 5 CO 0.00 -0.01 0.60 -0.63 -0.54 0.00 0.00 174.62 174.04 2x18 s ILE 6 N -3.17 5.04 -0.07 2.99 1.01 -1.26 -1.29 121.20 124.44 2x18 s ILE 6 Ca 0.36 1.10 -0.20 0.00 0.00 0.00 0.00 60.65 61.92 2x18 s ILE 6 Cb 0.09 -3.91 -0.30 0.00 0.01 0.00 0.00 42.46 38.35 2x18 s ILE 6 CO 0.16 0.11 0.76 0.58 0.00 0.00 0.00 174.94 176.54 2x18 h VAL 7 N 5.22 1.32 -2.62 2.92 2.07 -1.05 -3.48 116.25 120.63 2x18 h VAL 7 Ca -0.31 -2.48 -0.11 0.00 0.82 0.00 0.00 66.70 64.62 2x18 h VAL 7 Cb 1.14 3.00 -0.23 0.00 -1.52 0.00 0.00 31.29 33.69 2x18 h VAL 7 CO 0.76 0.70 -0.16 -0.75 0.02 0.00 0.00 177.57 178.15 2x18 s LYS 8 N -2.44 0.59 0.02 1.57 2.20 -1.20 -5.03 119.74 115.45 2x18 s LYS 8 Ca -0.16 0.52 -0.01 0.00 -0.36 0.00 0.00 55.97 55.96 2x18 s LYS 8 Cb 0.02 0.28 -0.02 0.00 -1.51 0.00 0.00 37.83 36.61 2x18 s LYS 8 CO 0.80 -0.10 -0.00 -1.83 -0.36 0.00 0.00 175.35 173.86 2x18 s GLU 9 N -0.03 0.35 0.00 4.03 -1.05 -1.26 -0.58 118.70 120.16 2x18 s GLU 9 Ca -0.02 -0.60 0.00 0.00 -0.15 0.00 0.00 54.97 54.19 2x18 s GLU 9 Cb -0.03 0.13 0.00 0.00 -0.44 0.00 0.00 34.13 33.79 2x18 s GLU 9 CO 0.02 -0.06 0.00 0.41 0.95 0.00 0.00 175.26 176.57 2x18 n GLY 10 N 1.51 0.37 3.73 -3.83 0.00 0.02 -4.99 105.19 102.00 2x18 n GLY 10 Ca -0.23 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.27 2x18 n GLY 10 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2x18 s TRP 11 N -2.00 3.55 0.11 1.61 0.52 -1.26 -0.82 118.94 120.65 2x18 s TRP 11 Ca 0.00 1.54 0.01 0.00 0.02 0.00 0.00 56.10 57.66 2x18 s TRP 11 Cb 0.00 -3.32 -0.04 0.00 -1.15 0.00 0.00 33.47 28.96 2x18 s TRP 11 CO 0.00 -0.78 -0.03 0.14 0.02 0.00 0.00 176.95 176.31 2x18 s VAL 12 N -0.02 0.54 -0.14 4.03 -7.23 -0.02 -4.96 120.40 112.61 2x18 s VAL 12 Ca 0.51 -1.92 -0.11 0.00 -1.81 0.00 0.00 61.98 58.65 2x18 s VAL 12 Cb -0.30 -1.82 -0.05 0.00 0.56 0.00 0.00 36.38 34.78 2x18 s VAL 12 CO 0.34 -0.73 0.22 -1.10 -0.31 0.00 0.00 175.10 173.52 2x18 s GLN 13 N -3.90 3.96 -0.03 4.82 -1.52 -0.44 -0.91 119.66 121.64 2x18 s GLN 13 Ca 0.16 -0.01 0.03 0.00 -1.95 0.00 0.00 55.36 53.59 2x18 s GLN 13 Cb 0.06 -3.33 -0.00 0.00 -0.22 0.00 0.00 33.01 29.52 2x18 s GLN 13 CO -0.02 0.47 -0.13 0.21 -0.25 0.00 0.00 175.29 175.56 2x18 s LYS 14 N -0.19 1.38 0.25 2.91 2.20 -0.08 -0.45 119.74 125.77 2x18 s LYS 14 Ca 0.15 -0.46 -0.30 0.00 -0.36 0.00 0.00 55.97 55.00 2x18 s LYS 14 Cb -0.13 -1.24 -0.09 0.00 -1.51 0.00 0.00 37.83 34.86 2x18 s LYS 14 CO 0.04 0.18 1.23 1.03 -0.36 0.00 0.00 175.35 177.47 2x18 s ARG 15 N 0.11 4.47 0.73 4.03 0.52 -0.10 -0.95 118.95 127.76 2x18 s ARG 15 Ca -0.03 2.00 -0.14 0.00 -0.52 0.00 0.00 55.73 57.03 2x18 s ARG 15 Cb -0.10 -3.17 0.04 0.00 0.52 0.00 0.00 34.95 32.24 2x18 s ARG 15 CO 0.01 -0.08 1.16 0.20 0.02 0.00 0.00 175.30 176.62 2x18 s GLY 16 N -0.26 2.17 0.24 -3.53 0.00 -0.68 -4.73 107.32 100.54 2x18 s GLY 16 Ca 0.50 0.71 0.19 0.00 0.00 0.00 0.00 44.72 46.13 2x18 s GLY 16 CO 0.43 1.10 1.22 0.83 0.00 0.00 0.00 173.10 176.67 2x18 h GLU 17 N -0.43 0.00 0.00 2.90 4.39 -1.94 -3.37 114.58 116.13 2x18 h GLU 17 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.23 2x18 h GLU 17 Cb 1.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 2x18 h GLU 17 CO 0.50 0.20 -0.43 0.66 -1.16 0.00 0.00 179.01 178.78 2x18 n TYR 18 N -2.96 0.00 -3.22 4.33 4.01 -1.26 -4.94 117.16 113.11 2x18 n TYR 18 Ca -0.01 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.34 2x18 n TYR 18 Cb 0.66 -0.22 -0.06 0.00 -0.31 0.00 0.00 39.34 39.42 2x18 n TYR 18 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2x18 s ILE 19 N -2.13 5.12 -2.05 -0.72 1.01 -1.26 -4.98 121.20 116.19 2x18 s ILE 19 Ca -0.13 1.06 0.13 0.00 0.00 0.00 0.00 60.65 61.72 2x18 s ILE 19 Cb 0.02 -3.88 0.34 0.00 0.01 0.00 0.00 42.46 38.95 2x18 s ILE 19 CO 0.19 0.24 1.42 0.29 0.00 0.00 0.00 174.94 177.08 2x18 n LYS 20 N 4.20 1.24 -1.60 2.79 5.02 -1.26 -2.90 118.16 125.66 2x18 n LYS 20 Ca -0.05 -0.36 -0.37 0.00 -2.02 0.00 0.00 58.31 55.51 2x18 n LYS 20 Cb 0.51 -1.23 0.06 0.00 -0.02 0.00 0.00 35.03 34.35 2x18 n LYS 20 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2x18 n ASN 21 N -0.33 0.81 -4.73 4.39 3.02 -1.26 -3.79 115.26 113.36 2x18 n ASN 21 Ca 0.10 0.78 -0.41 0.00 -0.03 0.00 0.00 54.58 55.02 2x18 n ASN 21 Cb 0.12 -1.41 -0.03 0.00 -0.61 0.00 0.00 39.78 37.85 2x18 n ASN 21 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2x18 s TRP 22 N -1.55 3.46 0.02 3.10 0.52 -1.26 -1.68 118.94 121.55 2x18 s TRP 22 Ca 0.77 1.43 0.03 0.00 0.02 0.00 0.00 56.10 58.35 2x18 s TRP 22 Cb -0.40 -3.40 -0.02 0.00 -1.15 0.00 0.00 33.47 28.50 2x18 s TRP 22 CO 0.46 -1.12 -0.08 1.03 0.02 0.00 0.00 176.95 177.26 2x18 s ARG 23 N -0.05 0.58 0.23 4.98 3.00 -0.13 -4.91 118.95 122.65 2x18 s ARG 23 Ca 0.53 -0.54 -0.30 0.00 0.00 0.00 0.00 55.73 55.43 2x18 s ARG 23 Cb -0.32 -0.47 -0.09 0.00 0.00 0.00 0.00 34.95 34.07 2x18 s ARG 23 CO 0.35 0.11 1.19 -1.25 0.00 0.00 0.00 175.30 175.70 2x18 s PRO 24 N -0.92 4.51 0.01 3.54 0.04 -1.26 -0.90 135.00 140.02 2x18 s PRO 24 Ca -0.03 1.90 -0.02 0.00 0.04 0.00 0.00 61.00 62.89 2x18 s PRO 24 Cb -0.06 -3.20 -0.01 0.00 0.04 0.00 0.00 34.50 31.26 2x18 s PRO 24 CO 0.00 -0.02 0.02 1.03 0.04 0.00 0.00 177.00 178.07 2x18 s ARG 25 N -0.75 0.29 -0.34 4.56 1.81 -0.09 -4.89 118.95 119.55 2x18 s ARG 25 Ca 0.50 -0.42 -0.10 0.00 -1.72 0.00 0.00 55.73 53.99 2x18 s ARG 25 Cb -0.33 0.11 0.01 0.00 -0.45 0.00 0.00 34.95 34.29 2x18 s ARG 25 CO 0.40 -0.05 0.16 -0.47 -0.68 0.00 0.00 175.30 174.66 2x18 s TYR 26 N -1.13 3.21 0.04 -0.53 5.04 -0.36 -0.84 117.35 122.78 2x18 s TYR 26 Ca -0.12 -0.86 0.04 0.00 -2.44 0.00 0.00 57.07 53.68 2x18 s TYR 26 Cb -0.07 -2.37 -0.04 0.00 0.35 0.00 0.00 41.96 39.83 2x18 s TYR 26 CO -0.00 -0.58 -0.03 -0.06 -1.34 0.00 0.00 175.55 173.55 2x18 s PHE 27 N 1.56 2.96 -0.11 4.97 0.40 -0.00 -0.70 117.98 127.06 2x18 s PHE 27 Ca 0.03 -0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.37 2x18 s PHE 27 Cb -0.18 -1.58 0.01 0.00 0.51 0.00 0.00 43.02 41.78 2x18 s PHE 27 CO 0.06 0.44 -0.16 -0.51 0.70 0.00 0.00 175.22 175.74 2x18 s LEU 28 N -1.86 1.79 -0.23 -0.37 1.02 0.16 -0.80 118.68 118.39 2x18 s LEU 28 Ca 0.21 -0.45 -0.08 0.00 0.02 0.00 0.00 54.13 53.84 2x18 s LEU 28 Cb -0.11 -1.13 -0.04 0.00 0.02 0.00 0.00 46.19 44.93 2x18 s LEU 28 CO 0.13 0.04 0.09 -0.22 0.02 0.00 0.00 176.35 176.41 2x18 s LEU 29 N 0.88 3.68 0.29 1.79 2.96 0.25 -1.10 118.68 127.43 2x18 s LEU 29 Ca -0.09 -0.07 0.08 0.00 -0.22 0.00 0.00 54.13 53.84 2x18 s LEU 29 Cb -0.15 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 2x18 s LEU 29 CO -0.00 0.04 0.10 -0.54 -1.32 0.00 0.00 176.35 174.62 2x18 s LYS 30 N 1.20 2.49 0.38 1.98 1.02 -0.45 -0.40 119.74 125.95 2x18 s LYS 30 Ca 0.05 -1.36 0.27 0.00 0.02 0.00 0.00 55.97 54.95 2x18 s LYS 30 Cb -0.14 -2.28 1.30 0.00 -0.52 0.00 0.00 37.83 36.19 2x18 s LYS 30 CO 0.04 0.29 1.82 1.79 -0.92 0.00 0.00 175.35 178.37 2x18 h THR 31 N 1.67 0.00 -0.10 2.17 1.35 -1.52 -0.74 112.91 115.74 2x18 h THR 31 Ca -0.45 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 2x18 h THR 31 Cb 1.25 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 2x18 h THR 31 CO 0.61 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.98 2x18 n ASP 32 N -2.47 1.11 0.00 5.36 5.75 -1.26 -4.85 116.55 120.18 2x18 n ASP 32 Ca -0.00 -1.57 0.00 0.00 -0.01 0.00 0.00 54.79 53.21 2x18 n ASP 32 Cb 0.15 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 2x18 n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2x18 n GLY 33 N 1.04 0.86 3.72 6.12 0.00 -0.28 -4.96 105.19 111.68 2x18 n GLY 33 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2x18 n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2x18 s SER 34 N -2.91 6.95 -0.30 1.61 0.01 -1.25 -1.31 113.70 116.51 2x18 s SER 34 Ca 0.00 2.21 0.03 0.00 1.31 0.00 0.00 55.95 59.50 2x18 s SER 34 Cb 0.00 -2.59 0.08 0.00 0.21 0.00 0.00 66.02 63.72 2x18 s SER 34 CO 0.00 -0.54 -0.02 0.12 0.41 0.00 0.00 173.24 173.21 2x18 s PHE 35 N 0.88 3.33 -0.10 2.43 5.36 0.19 -1.34 117.98 128.72 2x18 s PHE 35 Ca 0.60 -2.56 0.03 0.00 -0.96 0.00 0.00 56.93 54.05 2x18 s PHE 35 Cb -0.34 -2.35 -0.00 0.00 -0.34 0.00 0.00 43.02 39.99 2x18 s PHE 35 CO 0.31 -0.90 -0.23 0.42 -1.46 0.00 0.00 175.22 173.36 2x18 s ILE 36 N 1.06 2.19 -0.03 3.12 1.01 -0.26 -2.09 121.20 126.21 2x18 s ILE 36 Ca 0.02 -0.97 0.07 0.00 0.00 0.00 0.00 60.65 59.77 2x18 s ILE 36 Cb -0.19 -1.85 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 2x18 s ILE 36 CO -0.08 0.56 -0.25 -0.83 0.00 0.00 0.00 174.94 174.34 2x18 s GLY 37 N 0.34 1.29 0.24 6.18 0.00 -0.04 -0.66 107.32 114.68 2x18 s GLY 37 Ca -0.18 -1.10 0.06 0.00 0.00 0.00 0.00 44.72 43.50 2x18 s GLY 37 CO 0.08 -0.89 -0.06 -0.19 0.00 0.00 0.00 173.10 172.04 2x18 s TYR 38 N -0.57 1.76 0.19 1.90 2.02 0.12 -0.18 117.35 122.58 2x18 s TYR 38 Ca 0.09 -0.74 0.22 0.00 -0.37 0.00 0.00 57.07 56.27 2x18 s TYR 38 Cb -0.10 -0.97 0.88 0.00 -0.40 0.00 0.00 41.96 41.37 2x18 s TYR 38 CO -0.00 0.20 1.82 1.57 -1.57 0.00 0.00 175.55 177.56 2x18 h LYS 39 N 2.41 0.00 -3.92 -0.62 -0.00 -1.90 -0.96 116.57 111.59 2x18 h LYS 39 Ca -0.39 0.00 -0.15 0.00 -0.00 0.00 0.00 60.65 60.11 2x18 h LYS 39 Cb 1.23 0.00 -0.09 0.00 -0.00 0.00 0.00 32.23 33.36 2x18 h LYS 39 CO 0.65 0.27 -0.20 -1.83 -0.00 0.00 0.00 179.45 178.34 2x18 s GLU 40 N -3.71 1.62 0.01 0.07 -1.05 -1.26 -4.72 118.70 109.66 2x18 s GLU 40 Ca -0.00 -1.47 -0.33 0.00 -0.15 0.00 0.00 54.97 53.02 2x18 s GLU 40 Cb 0.11 0.44 -0.11 0.00 -0.44 0.00 0.00 34.13 34.12 2x18 s GLU 40 CO 0.65 -0.66 1.84 1.17 0.95 0.00 0.00 175.26 179.21 2x18 n LYS 41 N -0.42 2.40 -2.42 -4.83 4.81 -1.26 -4.73 118.16 111.71 2x18 n LYS 41 Ca -0.00 0.88 -0.42 0.00 -0.87 0.00 0.00 58.31 57.89 2x18 n LYS 41 Cb 0.62 -2.74 -0.03 0.00 0.02 0.00 0.00 35.03 32.91 2x18 n LYS 41 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2x18 s PRO 42 N 3.41 4.40 0.69 1.64 0.04 -1.26 -5.03 135.00 138.89 2x18 s PRO 42 Ca 0.88 1.76 -0.14 0.00 0.04 0.00 0.00 61.00 63.54 2x18 s PRO 42 Cb -0.61 -3.42 0.01 0.00 0.04 0.00 0.00 34.50 30.53 2x18 s PRO 42 CO 0.45 -0.32 1.10 -0.65 0.04 0.00 0.00 177.00 177.62 2x18 s GLN 43 N 1.44 2.70 0.22 4.56 -1.52 -1.26 -4.89 119.66 120.90 2x18 s GLN 43 Ca 0.58 1.30 -0.09 0.00 -1.95 0.00 0.00 55.36 55.21 2x18 s GLN 43 Cb -0.28 -1.94 0.32 0.00 -0.22 0.00 0.00 33.01 30.88 2x18 s GLN 43 CO 0.27 -1.32 1.72 -0.44 -0.25 0.00 0.00 175.29 175.28 2x18 h ASP 44 N -0.28 0.12 -0.00 5.90 3.32 -2.02 0.14 116.42 123.61 2x18 h ASP 44 Ca -0.46 0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.69 2x18 h ASP 44 Cb 1.24 0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.90 2x18 h ASP 44 CO 0.54 0.06 0.00 -0.37 -1.72 0.00 0.00 179.24 177.75 2x18 h VAL 45 N 0.34 0.57 0.00 -1.35 -1.51 -2.04 -2.24 116.25 110.02 2x18 h VAL 45 Ca 0.33 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.80 2x18 h VAL 45 Cb 0.47 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.63 2x18 h VAL 45 CO -0.37 0.00 -0.52 0.47 -1.23 0.00 0.00 177.57 175.91 2x18 n ASP 46 N -3.92 0.52 -0.33 4.19 8.00 0.48 -4.37 116.55 121.12 2x18 n ASP 46 Ca -0.03 -0.23 0.14 0.00 0.71 0.00 0.00 54.79 55.39 2x18 n ASP 46 Cb 0.09 0.26 0.36 0.00 -0.02 0.00 0.00 41.12 41.81 2x18 n ASP 46 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2x18 h LEU 47 N 0.00 0.71 0.00 0.64 3.38 -1.19 -0.89 115.31 117.96 2x18 h LEU 47 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2x18 h LEU 47 Cb 0.52 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2x18 h LEU 47 CO 0.00 0.25 0.00 -2.65 0.09 0.00 0.00 178.44 176.13 2x18 n PRO 48 N -4.71 0.68 -2.93 1.13 -0.02 -1.26 -4.30 135.00 123.59 2x18 n PRO 48 Ca 0.23 0.02 -0.24 0.00 -2.02 0.00 0.00 63.50 61.48 2x18 n PRO 48 Cb 0.61 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.56 2x18 n PRO 48 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2x18 n TYR 49 N -1.07 2.96 -1.86 6.00 4.01 -0.34 -5.10 117.16 121.75 2x18 n TYR 49 Ca 0.17 -3.80 -0.33 0.00 -0.16 0.00 0.00 57.90 53.79 2x18 n TYR 49 Cb 0.11 -0.42 0.03 0.00 -0.31 0.00 0.00 39.34 38.76 2x18 n TYR 49 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2x18 s PRO 50 N -3.23 3.05 0.14 -0.72 0.04 -1.26 -4.97 135.00 128.05 2x18 s PRO 50 Ca 0.46 1.24 0.08 0.00 0.04 0.00 0.00 61.00 62.81 2x18 s PRO 50 Cb 0.32 -1.99 -0.17 0.00 0.04 0.00 0.00 34.50 32.70 2x18 s PRO 50 CO -0.12 -1.03 1.31 -0.07 0.04 0.00 0.00 177.00 177.12 2x18 h LEU 51 N 0.10 0.00 -8.12 -3.56 3.38 -0.92 -3.46 115.31 102.71 2x18 h LEU 51 Ca -0.46 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.12 2x18 h LEU 51 Cb 1.23 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.71 2x18 h LEU 51 CO 0.56 0.95 -0.78 0.20 0.09 0.00 0.00 178.44 179.46 2x18 s ASN 52 N -6.70 1.19 -0.29 -0.43 -0.87 -0.69 -4.97 114.94 102.17 2x18 s ASN 52 Ca 0.01 -0.28 0.01 0.00 -1.57 0.00 0.00 52.86 51.03 2x18 s ASN 52 Cb 0.10 -0.10 0.19 0.00 -0.02 0.00 0.00 41.25 41.42 2x18 s ASN 52 CO 0.81 0.05 0.57 0.21 -2.57 0.00 0.00 177.10 176.17 2x18 s ASN 53 N -0.61 -1.23 0.16 -1.22 2.47 -1.26 -0.86 114.94 112.40 2x18 s ASN 53 Ca 0.01 0.53 -0.04 0.00 0.42 0.00 0.00 52.86 53.78 2x18 s ASN 53 Cb -0.05 1.98 -0.03 0.00 -1.45 0.00 0.00 41.25 41.69 2x18 s ASN 53 CO 0.00 -0.28 0.16 0.72 -3.72 0.00 0.00 177.10 173.98 2x18 s PHE 54 N 2.80 0.72 -0.01 0.43 -0.12 -0.89 -4.99 117.98 115.93 2x18 s PHE 54 Ca 0.16 -1.07 -0.08 0.00 -0.05 0.00 0.00 56.93 55.89 2x18 s PHE 54 Cb -0.13 -0.32 -0.05 0.00 -0.63 0.00 0.00 43.02 41.89 2x18 s PHE 54 CO -0.23 -0.62 0.27 0.45 -0.05 0.00 0.00 175.22 175.04 2x18 s SER 55 N -3.03 6.53 0.00 1.98 0.15 -1.26 -0.64 113.70 117.42 2x18 s SER 55 Ca 0.23 0.61 0.22 0.00 0.70 0.00 0.00 55.95 57.71 2x18 s SER 55 Cb 0.06 -2.11 0.53 0.00 -1.71 0.00 0.00 66.02 62.79 2x18 s SER 55 CO 0.03 0.28 1.45 1.33 1.20 0.00 0.00 173.24 177.53 2x18 n VAL 56 N 1.33 0.45 -1.70 4.45 0.24 -0.43 -4.93 118.33 117.75 2x18 n VAL 56 Ca -0.13 -0.63 -0.44 0.00 -2.04 0.00 0.00 64.34 61.11 2x18 n VAL 56 Cb 0.53 0.70 -0.03 0.00 -1.47 0.00 0.00 33.84 33.58 2x18 n VAL 56 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2x18 n ALA 57 N 1.09 1.85 -1.54 2.33 0.00 -1.26 -1.72 120.51 121.26 2x18 n ALA 57 Ca 0.18 0.40 -0.19 0.00 0.00 0.00 0.00 53.44 53.84 2x18 n ALA 57 Cb 0.50 -2.38 -0.08 0.00 0.00 0.00 0.00 19.45 17.49 2x18 n ALA 57 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2x18 n LYS 58 N 2.52 -1.39 -1.69 0.00 5.02 -1.26 -4.74 118.16 116.62 2x18 n LYS 58 Ca 0.12 1.15 -0.32 0.00 -2.02 0.00 0.00 58.31 57.24 2x18 n LYS 58 Cb 0.33 -5.49 0.04 0.00 -0.02 0.00 0.00 35.03 29.90 2x18 n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2x18 s GLN 60 N -4.64 2.11 -0.02 0.00 -0.21 -0.51 -4.98 119.66 111.42 2x18 s GLN 60 Ca 0.61 -1.03 0.06 0.00 0.02 0.00 0.00 55.36 55.02 2x18 s GLN 60 Cb -0.16 -2.29 -0.01 0.00 1.00 0.00 0.00 33.01 31.55 2x18 s GLN 60 CO 0.48 0.51 -0.19 -0.51 -2.12 0.00 0.00 175.29 173.47 2x18 s LEU 61 N -2.15 2.02 -0.01 2.90 1.43 -1.26 -0.65 118.68 120.95 2x18 s LEU 61 Ca 0.21 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.99 2x18 s LEU 61 Cb -0.11 -0.98 -0.01 0.00 0.03 0.00 0.00 46.19 45.13 2x18 s LEU 61 CO 0.13 0.22 -0.11 -0.04 0.23 0.00 0.00 176.35 176.78 2x18 s MET 62 N -0.36 0.86 -0.09 1.70 -1.94 -0.56 -4.99 119.30 113.92 2x18 s MET 62 Ca 0.05 -0.38 0.01 0.00 -1.71 0.00 0.00 55.69 53.67 2x18 s MET 62 Cb -0.08 -0.83 -0.02 0.00 2.01 0.00 0.00 34.83 35.91 2x18 s MET 62 CO -0.00 0.23 -0.11 0.15 -0.01 0.00 0.00 175.02 175.28 2x18 s LYS 63 N -0.25 2.95 0.12 2.03 1.02 -1.26 -0.56 119.74 123.79 2x18 s LYS 63 Ca 0.04 -0.63 -0.05 0.00 0.02 0.00 0.00 55.97 55.35 2x18 s LYS 63 Cb -0.04 -2.57 -0.02 0.00 -0.52 0.00 0.00 37.83 34.68 2x18 s LYS 63 CO -0.00 0.48 0.13 -0.08 -0.92 0.00 0.00 175.35 174.95 2x18 s THR 64 N -0.33 0.12 -0.17 2.17 -1.32 -0.67 -5.01 115.64 110.43 2x18 s THR 64 Ca 0.04 -1.60 0.02 0.00 -1.21 0.00 0.00 61.69 58.93 2x18 s THR 64 Cb -0.13 -1.74 0.01 0.00 -1.51 0.00 0.00 72.50 69.13 2x18 s THR 64 CO 0.02 -0.56 0.43 -0.62 -2.21 0.00 0.00 174.62 171.69 2x18 n GLU 65 N -0.08 0.96 -4.08 7.08 -0.58 -1.26 -1.86 120.64 120.82 2x18 n GLU 65 Ca -0.10 -0.46 -0.16 0.00 -0.42 0.00 0.00 57.16 56.03 2x18 n GLU 65 Cb 0.63 -0.92 -0.15 0.00 -0.57 0.00 0.00 31.44 30.43 2x18 n GLU 65 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2x18 s ARG 66 N -0.37 0.37 0.49 3.49 1.81 -1.26 -2.27 118.95 121.20 2x18 s ARG 66 Ca 0.02 -0.11 0.27 0.00 -1.72 0.00 0.00 55.73 54.19 2x18 s ARG 66 Cb 0.01 -0.39 1.19 0.00 -0.45 0.00 0.00 34.95 35.31 2x18 s ARG 66 CO 0.03 0.04 1.94 -1.00 -0.68 0.00 0.00 175.30 175.63 2x18 h PRO 67 N 6.35 0.00 -5.30 3.54 0.13 -2.04 -3.49 132.00 131.19 2x18 h PRO 67 Ca -0.31 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.16 2x18 h PRO 67 Cb 1.18 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.02 2x18 h PRO 67 CO 0.50 0.16 -0.80 0.21 -0.23 0.00 0.00 178.00 177.83 2x18 s LYS 68 N -3.83 3.27 0.56 0.86 2.47 -1.23 -5.11 119.74 116.74 2x18 s LYS 68 Ca -0.01 -0.74 -0.19 0.00 -1.56 0.00 0.00 55.97 53.47 2x18 s LYS 68 Cb 0.11 -2.55 -0.08 0.00 -1.46 0.00 0.00 37.83 33.85 2x18 s LYS 68 CO 0.60 0.17 0.69 -2.30 0.16 0.00 0.00 175.35 174.67 2x18 n PRO 69 N 3.62 0.69 -3.04 4.03 -0.02 -0.96 -3.39 135.00 135.93 2x18 n PRO 69 Ca -0.18 0.26 -0.19 0.00 -2.02 0.00 0.00 63.50 61.37 2x18 n PRO 69 Cb 0.53 -1.85 0.04 0.00 -0.02 0.00 0.00 33.50 32.20 2x18 n PRO 69 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2x18 n ASN 70 N 0.17 -5.55 -4.80 2.55 3.02 -1.24 -4.62 115.26 104.78 2x18 n ASN 70 Ca 0.12 -0.30 -0.37 0.00 -0.03 0.00 0.00 54.58 54.00 2x18 n ASN 70 Cb 0.46 -4.33 -0.06 0.00 -0.61 0.00 0.00 39.78 35.24 2x18 n ASN 70 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2x18 s THR 71 N -3.13 4.50 -0.01 3.41 2.01 -0.78 -2.40 115.64 119.23 2x18 s THR 71 Ca 0.32 1.44 0.03 0.00 0.31 0.00 0.00 61.69 63.80 2x18 s THR 71 Cb -0.14 -3.96 -0.01 0.00 0.01 0.00 0.00 72.50 68.40 2x18 s THR 71 CO 0.40 0.33 -0.11 0.72 -0.69 0.00 0.00 174.62 175.27 2x18 s PHE 72 N -1.38 1.01 -0.14 4.92 -0.12 0.09 -1.67 117.98 120.70 2x18 s PHE 72 Ca 0.40 -0.20 0.01 0.00 -0.05 0.00 0.00 56.93 57.10 2x18 s PHE 72 Cb -0.19 -0.66 0.00 0.00 -0.63 0.00 0.00 43.02 41.54 2x18 s PHE 72 CO 0.23 -0.02 -0.18 0.42 -0.05 0.00 0.00 175.22 175.61 2x18 s ILE 73 N -0.23 2.43 -0.32 -4.49 1.01 0.28 -0.84 121.20 119.04 2x18 s ILE 73 Ca 0.04 -0.86 -0.10 0.00 0.00 0.00 0.00 60.65 59.73 2x18 s ILE 73 Cb -0.05 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.41 2x18 s ILE 73 CO -0.00 0.53 0.18 -0.63 0.00 0.00 0.00 174.94 175.01 2x18 s ILE 74 N 0.75 4.77 -0.22 2.92 1.01 0.12 -1.49 121.20 129.06 2x18 s ILE 74 Ca -0.07 -0.39 -0.16 0.00 0.00 0.00 0.00 60.65 60.03 2x18 s ILE 74 Cb -0.16 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 2x18 s ILE 74 CO 0.00 0.03 0.42 -0.60 0.00 0.00 0.00 174.94 174.80 2x18 s ARG 75 N 1.64 4.13 0.16 2.79 3.52 0.17 -1.21 118.95 130.16 2x18 s ARG 75 Ca 0.05 0.21 0.07 0.00 -0.13 0.00 0.00 55.73 55.93 2x18 s ARG 75 Cb -0.17 -3.58 -0.04 0.00 -1.56 0.00 0.00 34.95 29.60 2x18 s ARG 75 CO 0.07 -0.14 -0.16 0.00 -0.81 0.00 0.00 175.30 174.27 2x18 s LEU 77 N -2.80 4.27 -0.40 0.00 1.43 -1.25 -1.24 118.68 118.70 2x18 s LEU 77 Ca 0.16 -1.08 -0.19 0.00 -1.03 0.00 0.00 54.13 51.99 2x18 s LEU 77 Cb -0.04 -1.88 0.01 0.00 0.03 0.00 0.00 46.19 44.32 2x18 s LEU 77 CO 0.05 -0.31 0.56 0.00 0.23 0.00 0.00 176.35 176.89 2x18 s GLN 78 N 1.42 3.40 5.94 1.70 1.03 0.16 -4.80 119.66 128.51 2x18 s GLN 78 Ca -0.01 -0.33 0.00 0.00 0.04 0.00 0.00 55.36 55.06 2x18 s GLN 78 Cb -0.19 -3.89 0.00 0.00 0.03 0.00 0.00 33.01 28.96 2x18 s GLN 78 CO 0.03 -0.84 0.00 0.91 -2.54 0.00 0.00 175.29 172.85 2x18 n TRP 79 N 5.96 0.00 0.08 9.60 8.01 -1.26 -0.05 117.44 139.78 2x18 n TRP 79 Ca -0.04 0.00 0.06 0.00 -1.31 0.00 0.00 57.50 56.22 2x18 n TRP 79 Cb 0.48 0.00 0.12 0.00 -2.01 0.00 0.00 31.31 29.91 2x18 n TRP 79 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 2x18 n THR 80 N 0.00 0.61 -3.31 -0.99 -2.24 -1.26 -5.02 114.28 102.06 2x18 n THR 80 Ca 0.00 -0.81 -0.38 0.00 -2.27 0.00 0.00 64.05 60.59 2x18 n THR 80 Cb 0.00 0.79 -0.07 0.00 -2.10 0.00 0.00 70.33 68.96 2x18 n THR 80 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2x18 s THR 81 N -1.01 5.16 -0.28 4.28 -4.23 0.92 -4.98 115.64 115.51 2x18 s THR 81 Ca 0.21 0.88 -0.22 0.00 -1.18 0.00 0.00 61.69 61.38 2x18 s THR 81 Cb 0.12 -3.80 -0.01 0.00 1.34 0.00 0.00 72.50 70.15 2x18 s THR 81 CO 0.17 0.25 0.69 -0.69 -0.54 0.00 0.00 174.62 174.50 2x18 s VAL 82 N 1.21 4.91 -0.05 2.29 1.01 -1.25 0.36 120.40 128.88 2x18 s VAL 82 Ca 0.23 1.14 0.05 0.00 0.00 0.00 0.00 61.98 63.40 2x18 s VAL 82 Cb -0.15 -4.02 -0.00 0.00 0.00 0.00 0.00 36.38 32.21 2x18 s VAL 82 CO 0.09 -0.08 -0.21 -0.63 0.00 0.00 0.00 175.10 174.27 2x18 s ILE 83 N 2.67 1.71 -0.22 2.22 1.01 -0.37 -4.96 121.20 123.27 2x18 s ILE 83 Ca 0.28 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 60.00 2x18 s ILE 83 Cb -0.15 -1.47 -0.03 0.00 0.01 0.00 0.00 42.46 40.82 2x18 s ILE 83 CO 0.10 0.48 0.05 -1.61 0.00 0.00 0.00 174.94 173.96 2x18 s GLU 84 N 0.02 3.75 -0.08 2.79 2.02 -1.26 -1.03 118.70 124.91 2x18 s GLU 84 Ca -0.06 -0.45 0.03 0.00 0.02 0.00 0.00 54.97 54.52 2x18 s GLU 84 Cb -0.13 -3.23 -0.02 0.00 0.10 0.00 0.00 34.13 30.85 2x18 s GLU 84 CO 0.03 0.00 -0.16 1.03 0.02 0.00 0.00 175.26 176.18 2x18 s ARG 85 N 1.08 2.78 -0.12 1.61 0.52 -0.35 -4.97 118.95 119.51 2x18 s ARG 85 Ca 0.04 -0.74 0.03 0.00 -0.52 0.00 0.00 55.73 54.53 2x18 s ARG 85 Cb -0.14 -2.40 0.01 0.00 0.52 0.00 0.00 34.95 32.93 2x18 s ARG 85 CO 0.03 0.44 -0.21 0.99 0.02 0.00 0.00 175.30 176.57 2x18 s THR 86 N -0.27 1.93 0.15 0.02 2.01 -1.26 -0.71 115.64 117.50 2x18 s THR 86 Ca 0.01 -0.91 0.07 0.00 0.31 0.00 0.00 61.69 61.17 2x18 s THR 86 Cb -0.13 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 2x18 s THR 86 CO 0.03 0.53 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.98 2x18 s PHE 87 N 0.75 1.52 0.06 4.92 0.08 -0.02 -0.92 117.98 124.38 2x18 s PHE 87 Ca -0.09 -0.56 -0.07 0.00 0.12 0.00 0.00 56.93 56.32 2x18 s PHE 87 Cb -0.16 -0.77 -0.01 0.00 -0.57 0.00 0.00 43.02 41.51 2x18 s PHE 87 CO 0.00 0.21 0.15 -3.38 -0.10 0.00 0.00 175.22 172.10 2x18 s HIS 88 N -2.35 0.17 0.26 0.36 -3.43 0.41 -0.73 115.29 109.98 2x18 s HIS 88 Ca 0.13 -0.54 0.01 0.00 -0.80 0.00 0.00 55.06 53.87 2x18 s HIS 88 Cb -0.04 -0.10 -0.01 0.00 -1.43 0.00 0.00 32.58 31.01 2x18 s HIS 88 CO 0.04 -0.46 0.05 1.33 -2.00 0.00 0.00 174.74 173.70 2x18 n VAL 89 N 0.32 0.00 0.99 -5.38 0.24 -1.01 -1.32 118.33 112.16 2x18 n VAL 89 Ca -0.17 -1.39 0.11 0.00 -2.04 0.00 0.00 64.34 60.85 2x18 n VAL 89 Cb 0.61 0.41 0.01 0.00 -1.47 0.00 0.00 33.84 33.40 2x18 n VAL 89 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2x18 n ASP 90 N -1.51 2.21 -3.95 -1.34 5.68 -1.26 -4.68 116.55 111.70 2x18 n ASP 90 Ca -0.07 -1.60 -0.09 0.00 -0.50 0.00 0.00 54.79 52.52 2x18 n ASP 90 Cb 0.36 0.39 -0.10 0.00 -1.14 0.00 0.00 41.12 40.63 2x18 n ASP 90 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2x18 s THR 91 N -2.37 0.13 0.38 2.12 -4.23 -1.26 -5.03 115.64 105.38 2x18 s THR 91 Ca 0.20 -1.06 0.08 0.00 -1.18 0.00 0.00 61.69 59.74 2x18 s THR 91 Cb 0.18 -0.74 0.17 0.00 1.34 0.00 0.00 72.50 73.46 2x18 s THR 91 CO 0.52 -0.58 1.93 1.55 -0.54 0.00 0.00 174.62 177.49 2x18 h PRO 92 N 3.93 0.33 -0.58 3.99 0.13 -1.95 -2.41 132.00 135.45 2x18 h PRO 92 Ca -0.32 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 64.72 2x18 h PRO 92 Cb 1.19 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 2x18 h PRO 92 CO 0.48 0.41 0.27 0.93 -0.23 0.00 0.00 178.00 179.85 2x18 h GLU 93 N 0.32 0.84 -0.54 0.86 3.07 -1.99 -0.06 114.58 117.08 2x18 h GLU 93 Ca 0.07 -0.13 -0.08 0.00 -0.50 0.00 0.00 59.36 58.72 2x18 h GLU 93 Cb 0.31 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.05 2x18 h GLU 93 CO 0.01 0.69 0.04 1.49 -1.40 0.00 0.00 179.01 179.84 2x18 h GLU 94 N 0.78 0.93 -0.69 2.33 4.57 -1.93 -1.74 114.58 118.83 2x18 h GLU 94 Ca 0.20 -0.28 0.02 0.00 -1.18 0.00 0.00 59.36 58.12 2x18 h GLU 94 Cb 0.14 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.60 2x18 h GLU 94 CO -0.02 0.93 0.45 -0.09 -1.18 0.00 0.00 179.01 179.09 2x18 h ARG 95 N 0.81 0.87 0.00 1.92 2.43 -1.13 -2.45 114.38 116.83 2x18 h ARG 95 Ca 0.16 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.18 2x18 h ARG 95 Cb 0.48 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 2x18 h ARG 95 CO 0.02 0.58 -0.45 1.49 -1.51 0.00 0.00 179.97 180.10 2x18 h GLU 96 N 0.90 0.00 -0.15 0.20 4.57 -0.67 -1.03 114.58 118.39 2x18 h GLU 96 Ca 0.26 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.46 2x18 h GLU 96 Cb -0.05 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 2x18 h GLU 96 CO -0.08 0.45 0.05 0.93 -1.18 0.00 0.00 179.01 179.18 2x18 h GLU 97 N 0.00 0.12 -0.31 1.92 5.08 -0.99 -0.18 114.58 120.22 2x18 h GLU 97 Ca -0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2x18 h GLU 97 Cb 0.81 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 2x18 h GLU 97 CO 0.06 0.08 0.15 -1.49 -1.00 0.00 0.00 179.01 176.81 2x18 h TRP 98 N 0.12 0.45 -0.04 4.33 4.06 -0.94 -1.25 115.95 122.68 2x18 h TRP 98 Ca 0.07 -0.02 -0.15 0.00 2.06 0.00 0.00 58.89 60.84 2x18 h TRP 98 Cb 0.04 -0.14 -0.01 0.00 -1.00 0.00 0.00 29.16 28.05 2x18 h TRP 98 CO -0.11 0.40 -0.65 1.79 -3.56 0.00 0.00 178.44 176.30 2x18 h THR 99 N 0.37 1.42 -0.21 1.49 1.35 -1.13 0.03 112.91 116.23 2x18 h THR 99 Ca 0.11 -2.13 -0.01 0.00 -0.55 0.00 0.00 66.41 63.83 2x18 h THR 99 Cb 0.12 2.11 -0.01 0.00 -1.73 0.00 0.00 68.15 68.64 2x18 h THR 99 CO -0.01 0.62 0.08 -0.33 -0.25 0.00 0.00 175.52 175.63 2x18 h GLU 100 N 0.12 0.32 -0.23 4.72 5.08 -1.03 -2.30 114.58 121.26 2x18 h GLU 100 Ca -0.01 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2x18 h GLU 100 Cb 1.17 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2x18 h GLU 100 CO 0.10 0.38 0.05 0.00 -1.00 0.00 0.00 179.01 178.53 2x18 h ALA 101 N 0.92 0.31 -0.14 3.43 0.00 -0.92 -0.38 119.26 122.49 2x18 h ALA 101 Ca 0.07 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2x18 h ALA 101 Cb 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2x18 h ALA 101 CO -0.01 -0.04 0.08 0.82 0.00 0.00 0.00 179.25 180.11 2x18 h ILE 102 N 0.19 1.07 -0.72 0.00 2.04 -1.03 -0.40 117.51 118.66 2x18 h ILE 102 Ca 0.07 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2x18 h ILE 102 Cb 0.29 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 2x18 h ILE 102 CO 0.00 0.06 0.45 -0.61 0.00 0.00 0.00 178.15 178.06 2x18 h GLN 103 N 0.15 0.96 -0.65 2.37 5.75 -1.29 -0.16 115.11 122.24 2x18 h GLN 103 Ca 0.05 -0.07 -0.08 0.00 -0.15 0.00 0.00 58.65 58.40 2x18 h GLN 103 Cb 0.03 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.35 2x18 h GLN 103 CO -0.01 0.66 0.11 0.00 -2.65 0.00 0.00 178.83 176.94 2x18 h ALA 104 N 1.24 0.86 -0.21 3.38 0.00 -0.79 0.14 119.26 123.88 2x18 h ALA 104 Ca 0.26 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2x18 h ALA 104 Cb -0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2x18 h ALA 104 CO -0.05 0.62 0.12 0.28 0.00 0.00 0.00 179.25 180.22 2x18 h VAL 105 N 0.99 1.02 -0.80 0.00 2.07 -0.96 -1.52 116.25 117.05 2x18 h VAL 105 Ca 0.20 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.67 2x18 h VAL 105 Cb 0.44 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 2x18 h VAL 105 CO 0.01 0.05 0.50 0.00 0.02 0.00 0.00 177.57 178.15 2x18 h ALA 106 N 1.10 1.07 -0.68 1.67 0.00 -0.81 -1.37 119.26 120.22 2x18 h ALA 106 Ca 0.08 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2x18 h ALA 106 Cb -0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2x18 h ALA 106 CO -0.04 0.29 0.13 -0.44 0.00 0.00 0.00 179.25 179.19 2x18 h ASP 107 N 0.96 1.06 -0.49 0.00 3.32 -0.81 -0.92 116.42 119.54 2x18 h ASP 107 Ca 0.33 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 2x18 h ASP 107 Cb 0.07 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 2x18 h ASP 107 CO -0.13 1.03 0.26 -0.09 -1.72 0.00 0.00 179.24 178.59 2x18 h ARG 108 N 1.05 0.69 -0.49 3.56 2.43 -0.64 -1.90 114.38 119.07 2x18 h ARG 108 Ca 0.21 -0.09 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 2x18 h ARG 108 Cb 0.41 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 2x18 h ARG 108 CO 0.01 0.55 0.02 -0.07 -1.51 0.00 0.00 179.97 178.96 2x18 h LEU 109 N 0.64 0.78 -0.29 3.80 3.38 -0.98 -1.29 115.31 121.35 2x18 h LEU 109 Ca 0.17 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 2x18 h LEU 109 Cb 0.07 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2x18 h LEU 109 CO -0.03 0.83 -0.20 -0.61 0.09 0.00 0.00 178.44 178.53 2x18 h GLN 110 N 0.76 0.64 -0.74 1.13 5.75 -0.94 -0.34 115.11 121.38 2x18 h GLN 110 Ca 0.15 -0.31 0.09 0.00 -0.15 0.00 0.00 58.65 58.43 2x18 h GLN 110 Cb 0.44 -0.00 -0.07 0.00 1.07 0.00 0.00 27.48 28.91 2x18 h GLN 110 CO 0.02 0.90 0.39 0.00 -2.65 0.00 0.00 178.83 177.49 2x18 h ARG 111 N 0.38 0.65 -0.44 1.69 -0.00 -1.10 -1.65 114.38 113.91 2x18 h ARG 111 Ca 0.06 -0.04 -0.14 0.00 -0.50 0.00 0.00 59.98 59.35 2x18 h ARG 111 Cb 0.74 -0.15 -0.01 0.00 0.00 0.00 0.00 29.97 30.56 2x18 h ARG 111 CO 0.05 0.43 -0.29 1.96 0.00 0.00 0.00 179.97 182.12 2x18 h GLN 112 N 0.67 0.96 -0.34 0.04 4.20 -0.97 -1.66 115.11 118.00 2x18 h GLN 112 Ca 0.36 -0.45 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 2x18 h GLN 112 Cb 0.34 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 2x18 h GLN 112 CO -0.25 1.12 0.18 1.49 -0.67 0.00 0.00 178.83 180.70 2x18 h GLU 113 N 0.81 0.48 -0.00 1.46 4.81 -0.91 -0.97 114.58 120.27 2x18 h GLU 113 Ca 0.09 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2x18 h GLU 113 Cb 0.88 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.16 2x18 h GLU 113 CO 0.08 0.41 0.00 0.93 -0.73 0.00 0.00 179.01 179.70 2x18 h GLU 114 N 0.43 0.00 -0.04 1.92 5.08 -1.10 0.35 114.58 121.21 2x18 h GLU 114 Ca 0.12 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.25 2x18 h GLU 114 Cb 0.07 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.33 2x18 h GLU 114 CO -0.02 0.00 -0.90 0.93 -1.00 0.00 0.00 179.01 178.02 2x18 h GLU 115 N 0.00 0.57 -0.02 2.33 5.08 -0.92 -3.34 114.58 118.29 2x18 h GLU 115 Ca 0.00 -0.55 -0.05 0.00 -1.00 0.00 0.00 59.36 57.76 2x18 h GLU 115 Cb 0.01 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2x18 h GLU 115 CO -0.00 1.17 -0.20 0.00 -1.00 0.00 0.00 179.01 178.99 2x18 h ARG 116 N 0.35 0.17 -0.01 2.33 3.08 -0.47 -3.51 114.38 116.32 2x18 h ARG 116 Ca -0.08 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.82 2x18 h ARG 116 Cb 1.53 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.62 2x18 h ARG 116 CO 0.17 0.85 0.00 -1.33 -1.07 0.00 0.00 179.97 178.59