#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x25 n HIS -2 N 0.00 0.34 -2.48 4.41 8.25 -1.26 -4.95 115.22 119.54 2x25 n HIS -2 Ca 0.00 0.10 -0.36 0.00 -0.26 0.00 0.00 57.72 57.20 2x25 n HIS -2 Cb 0.00 -0.50 -0.03 0.00 1.12 0.00 0.00 29.99 30.58 2x25 n HIS -2 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2x25 s HIS -1 N -3.12 3.11 0.82 4.41 4.02 -1.26 -5.01 115.29 118.26 2x25 s HIS -1 Ca 0.07 1.60 -0.12 0.00 1.02 0.00 0.00 55.06 57.63 2x25 s HIS -1 Cb 0.15 -3.17 0.09 0.00 -1.02 0.00 0.00 32.58 28.63 2x25 s HIS -1 CO 0.73 -0.88 1.16 -3.38 1.02 0.00 0.00 174.74 173.39 2x25 s HIS 0 N -1.70 1.93 0.30 1.40 0.00 -1.26 -4.91 115.29 111.04 2x25 s HIS 0 Ca 0.61 1.68 -0.30 0.00 -3.00 0.00 0.00 55.06 54.06 2x25 s HIS 0 Cb -0.22 -3.35 -0.12 0.00 -4.00 0.00 0.00 32.58 24.88 2x25 s HIS 0 CO 0.27 -2.58 1.51 0.72 -1.00 0.00 0.00 174.74 173.66 2x25 n HIS 1 N -3.51 2.66 -5.19 0.38 -0.00 -1.26 -5.01 115.22 103.29 2x25 n HIS 1 Ca 0.12 0.35 -0.30 0.00 -0.00 0.00 0.00 57.72 57.88 2x25 n HIS 1 Cb 0.51 -2.54 -0.16 0.00 -0.00 0.00 0.00 29.99 27.80 2x25 n HIS 1 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2x25 s VAL 2 N -0.26 1.94 0.18 1.59 1.01 -1.26 -5.08 120.40 118.52 2x25 s VAL 2 Ca 0.63 -1.01 -0.33 0.00 0.00 0.00 0.00 61.98 61.27 2x25 s VAL 2 Cb -0.53 -1.64 -0.13 0.00 0.00 0.00 0.00 36.38 34.07 2x25 s VAL 2 CO 0.52 0.54 1.63 0.59 0.00 0.00 0.00 175.10 178.38 2x25 n ASN 3 N 2.95 3.43 -4.76 3.32 3.02 -1.26 -4.90 115.26 117.07 2x25 n ASN 3 Ca -0.17 1.08 -0.35 0.00 -0.03 0.00 0.00 54.58 55.11 2x25 n ASN 3 Cb 0.52 -1.48 0.04 0.00 -0.61 0.00 0.00 39.78 38.25 2x25 n ASN 3 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2x25 s PRO 4 N 0.94 2.85 -0.15 3.52 0.05 -1.24 -4.74 135.00 136.22 2x25 s PRO 4 Ca 0.77 1.67 -0.01 0.00 0.05 0.00 0.00 61.00 63.48 2x25 s PRO 4 Cb -0.61 -1.93 -0.01 0.00 0.05 0.00 0.00 34.50 32.00 2x25 s PRO 4 CO 0.36 -1.27 -0.12 0.99 0.05 0.00 0.00 177.00 177.02 2x25 s THR 5 N -1.87 3.03 0.24 1.26 2.01 -1.26 -1.03 115.64 118.02 2x25 s THR 5 Ca 0.74 -0.65 0.10 0.00 0.31 0.00 0.00 61.69 62.19 2x25 s THR 5 Cb -0.27 -2.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.90 2x25 s THR 5 CO 0.36 0.50 -0.18 0.68 -0.69 0.00 0.00 174.62 175.30 2x25 s VAL 6 N 0.67 2.16 0.12 3.82 -7.23 -0.61 -0.92 120.40 118.41 2x25 s VAL 6 Ca -0.06 -2.30 0.06 0.00 -1.81 0.00 0.00 61.98 57.88 2x25 s VAL 6 Cb -0.15 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 2x25 s VAL 6 CO 0.02 -0.46 -0.15 0.72 -0.31 0.00 0.00 175.10 174.92 2x25 s PHE 7 N -2.64 1.46 -0.08 2.82 -0.12 0.15 -0.53 117.98 119.05 2x25 s PHE 7 Ca 0.26 -0.52 0.05 0.00 -0.05 0.00 0.00 56.93 56.67 2x25 s PHE 7 Cb -0.03 -0.77 -0.00 0.00 -0.63 0.00 0.00 43.02 41.58 2x25 s PHE 7 CO 0.11 0.16 -0.24 -0.06 -0.05 0.00 0.00 175.22 175.14 2x25 s PHE 8 N -1.93 2.52 -0.39 3.49 0.08 0.13 -1.80 117.98 120.09 2x25 s PHE 8 Ca 0.08 -0.92 -0.16 0.00 0.12 0.00 0.00 56.93 56.05 2x25 s PHE 8 Cb -0.06 -1.67 0.01 0.00 -0.57 0.00 0.00 43.02 40.73 2x25 s PHE 8 CO 0.03 -0.34 0.39 -0.51 -0.10 0.00 0.00 175.22 174.70 2x25 s ASP 9 N 0.15 6.18 0.03 1.36 1.01 0.51 -0.88 116.67 125.02 2x25 s ASP 9 Ca -0.13 -0.52 -0.13 0.00 0.71 0.00 0.00 52.55 52.49 2x25 s ASP 9 Cb -0.16 -2.21 -0.06 0.00 1.01 0.00 0.00 42.92 41.50 2x25 s ASP 9 CO 0.07 -0.47 0.40 -0.63 0.21 0.00 0.00 175.17 174.76 2x25 s ILE 10 N 2.04 5.06 0.12 0.77 -1.09 0.43 -0.47 121.20 128.06 2x25 s ILE 10 Ca 0.11 0.69 0.09 0.00 -2.23 0.00 0.00 60.65 59.31 2x25 s ILE 10 Cb -0.17 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 36.99 2x25 s ILE 10 CO 0.12 0.47 -0.21 0.00 -1.23 0.00 0.00 174.94 174.09 2x25 s ALA 11 N -1.20 1.97 -0.20 9.38 0.00 -0.04 -0.24 121.76 131.43 2x25 s ALA 11 Ca 0.27 -1.35 0.01 0.00 0.00 0.00 0.00 51.96 50.89 2x25 s ALA 11 Cb -0.16 -0.25 0.04 0.00 0.00 0.00 0.00 23.12 22.75 2x25 s ALA 11 CO 0.15 0.36 -0.14 0.08 0.00 0.00 0.00 175.76 176.21 2x25 s VAL 12 N -1.37 1.85 -1.62 0.00 1.01 -0.24 -1.11 120.40 118.93 2x25 s VAL 12 Ca 0.10 -1.06 -0.15 0.00 0.00 0.00 0.00 61.98 60.88 2x25 s VAL 12 Cb -0.09 -1.83 0.12 0.00 0.00 0.00 0.00 36.38 34.58 2x25 s VAL 12 CO 0.05 0.28 0.77 0.47 0.00 0.00 0.00 175.10 176.67 2x25 n ASP 13 N 4.63 -3.12 0.00 3.32 8.00 0.21 -0.86 116.55 128.74 2x25 n ASP 13 Ca -0.17 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.37 2x25 n ASP 13 Cb 0.47 -3.04 0.00 0.00 -0.02 0.00 0.00 41.12 38.53 2x25 n ASP 13 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2x25 n GLY 14 N -1.55 2.90 3.67 0.44 0.00 -1.26 -5.01 105.19 104.37 2x25 n GLY 14 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2x25 n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2x25 s GLU 15 N -0.03 4.23 0.21 1.61 2.56 -0.04 -4.99 118.70 122.25 2x25 s GLU 15 Ca 0.00 0.52 -0.32 0.00 0.00 0.00 0.00 54.97 55.17 2x25 s GLU 15 Cb 0.00 -3.55 -0.13 0.00 2.00 0.00 0.00 34.13 32.45 2x25 s GLU 15 CO 0.00 -0.15 1.60 -2.30 -0.56 0.00 0.00 175.26 173.85 2x25 n PRO 16 N 4.74 2.41 -0.09 4.30 -0.02 -1.26 -1.08 135.00 144.00 2x25 n PRO 16 Ca -0.03 0.87 -0.12 0.00 -2.02 0.00 0.00 63.50 62.19 2x25 n PRO 16 Cb 0.50 -2.65 -0.04 0.00 -0.02 0.00 0.00 33.50 31.30 2x25 n PRO 16 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2x25 n LEU 17 N 3.19 1.91 0.00 2.45 7.94 0.66 -4.87 117.00 128.29 2x25 n LEU 17 Ca 0.14 0.33 0.00 0.00 -1.11 0.00 0.00 56.01 55.37 2x25 n LEU 17 Cb 0.32 -0.74 0.00 0.00 0.53 0.00 0.00 43.42 43.53 2x25 n LEU 17 CO 0.63 -0.15 0.00 0.61 -1.11 0.00 0.00 177.39 177.38 2x25 n GLY 18 N 1.48 -1.44 3.46 -3.96 0.00 -1.16 -5.01 105.19 98.56 2x25 n GLY 18 Ca -0.20 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.42 2x25 n GLY 18 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2x25 s ARG 19 N -1.25 3.21 -0.14 1.61 3.52 -1.26 -0.43 118.95 124.21 2x25 s ARG 19 Ca 0.00 -0.62 -0.02 0.00 -0.13 0.00 0.00 55.73 54.96 2x25 s ARG 19 Cb 0.00 -2.65 -0.02 0.00 -1.56 0.00 0.00 34.95 30.71 2x25 s ARG 19 CO 0.00 0.37 -0.07 0.08 -0.81 0.00 0.00 175.30 174.87 2x25 s VAL 20 N -0.02 3.65 0.11 7.11 1.01 -0.06 -4.26 120.40 127.94 2x25 s VAL 20 Ca -0.02 -0.45 0.08 0.00 0.00 0.00 0.00 61.98 61.59 2x25 s VAL 20 Cb -0.14 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 2x25 s VAL 20 CO 0.03 0.51 -0.14 -0.44 0.00 0.00 0.00 175.10 175.06 2x25 s SER 21 N 0.24 4.13 -0.01 3.32 0.01 -0.08 -0.69 113.70 120.62 2x25 s SER 21 Ca -0.04 -0.47 0.04 0.00 1.31 0.00 0.00 55.95 56.78 2x25 s SER 21 Cb -0.14 -0.68 -0.01 0.00 0.21 0.00 0.00 66.02 65.39 2x25 s SER 21 CO 0.04 0.18 -0.13 -0.36 0.41 0.00 0.00 173.24 173.38 2x25 s PHE 22 N -1.17 1.13 -0.05 2.43 0.08 0.31 -0.27 117.98 120.44 2x25 s PHE 22 Ca 0.19 -0.22 -0.22 0.00 0.12 0.00 0.00 56.93 56.80 2x25 s PHE 22 Cb -0.11 -0.72 -0.04 0.00 -0.57 0.00 0.00 43.02 41.58 2x25 s PHE 22 CO 0.12 -0.02 0.63 -2.00 -0.10 0.00 0.00 175.22 173.85 2x25 s GLU 23 N -0.36 4.39 -0.15 0.44 2.12 -0.19 -1.58 118.70 123.38 2x25 s GLU 23 Ca 0.05 0.77 -0.04 0.00 0.36 0.00 0.00 54.97 56.10 2x25 s GLU 23 Cb -0.05 -3.41 -0.03 0.00 0.26 0.00 0.00 34.13 30.90 2x25 s GLU 23 CO -0.00 0.18 -0.02 -0.51 -0.54 0.00 0.00 175.26 174.37 2x25 s LEU 24 N 0.44 3.39 -1.43 2.70 1.43 -0.20 -1.31 118.68 123.70 2x25 s LEU 24 Ca 0.34 -0.05 -0.09 0.00 -1.03 0.00 0.00 54.13 53.29 2x25 s LEU 24 Cb -0.18 -1.82 0.06 0.00 0.03 0.00 0.00 46.19 44.29 2x25 s LEU 24 CO 0.17 0.20 2.41 0.49 0.23 0.00 0.00 176.35 179.85 2x25 n PHE 25 N 3.30 2.78 0.27 0.29 3.72 0.64 -3.70 117.46 124.76 2x25 n PHE 25 Ca -0.17 -2.92 0.11 0.00 -0.05 0.00 0.00 57.45 54.41 2x25 n PHE 25 Cb 0.53 -2.18 0.73 0.00 -0.94 0.00 0.00 39.48 37.62 2x25 n PHE 25 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2x25 h ALA 26 N 5.21 1.72 0.00 4.37 0.00 -1.83 0.13 119.26 128.85 2x25 h ALA 26 Ca 0.66 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.50 2x25 h ALA 26 Cb 0.43 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2x25 h ALA 26 CO 1.67 0.05 -0.19 0.38 0.00 0.00 0.00 179.25 181.16 2x25 h ASP 27 N 0.00 0.00 0.00 0.00 2.03 -1.96 -3.06 116.42 113.42 2x25 h ASP 27 Ca -0.00 0.00 -0.27 0.00 -0.73 0.00 0.00 57.03 56.03 2x25 h ASP 27 Cb 0.08 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.53 2x25 h ASP 27 CO 0.01 0.19 -2.01 0.29 -1.03 0.00 0.00 179.24 176.69 2x25 n LYS 28 N -4.01 0.98 -3.22 4.15 4.76 -0.58 -4.84 118.16 115.40 2x25 n LYS 28 Ca -0.02 0.06 -0.24 0.00 -2.87 0.00 0.00 58.31 55.23 2x25 n LYS 28 Cb 0.27 -1.37 -0.07 0.00 -1.84 0.00 0.00 35.03 32.03 2x25 n LYS 28 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 2x25 n VAL 29 N -2.82 -0.34 -0.20 -0.18 0.24 -0.07 -4.93 118.33 110.04 2x25 n VAL 29 Ca -0.28 -4.15 -0.04 0.00 -2.04 0.00 0.00 64.34 57.83 2x25 n VAL 29 Cb 0.90 -1.97 0.13 0.00 -1.47 0.00 0.00 33.84 31.43 2x25 n VAL 29 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2x25 h PRO 30 N 4.05 0.99 -0.44 7.34 0.13 -1.73 0.20 132.00 142.54 2x25 h PRO 30 Ca 0.09 -0.20 -0.14 0.00 -0.87 0.00 0.00 66.00 64.88 2x25 h PRO 30 Cb 0.85 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 2x25 h PRO 30 CO 0.50 0.85 -0.27 -0.22 -0.23 0.00 0.00 178.00 178.63 2x25 h LYS 31 N 0.96 0.97 -0.17 0.86 3.64 -1.94 -1.37 116.57 119.52 2x25 h LYS 31 Ca 0.21 -0.45 -0.20 0.00 -1.27 0.00 0.00 60.65 58.94 2x25 h LYS 31 Cb 0.27 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2x25 h LYS 31 CO -0.01 1.11 -0.71 1.15 -2.27 0.00 0.00 179.45 178.73 2x25 h THR 32 N 0.81 1.30 -0.54 1.00 2.02 -1.89 -2.45 112.91 113.16 2x25 h THR 32 Ca 0.09 -1.95 -0.03 0.00 0.77 0.00 0.00 66.41 65.29 2x25 h THR 32 Cb 0.86 1.93 -0.02 0.00 -1.74 0.00 0.00 68.15 69.17 2x25 h THR 32 CO 0.08 0.61 0.21 0.00 0.37 0.00 0.00 175.52 176.79 2x25 h ALA 33 N 0.69 0.70 -0.59 6.16 0.00 -0.93 -2.79 119.26 122.51 2x25 h ALA 33 Ca -0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2x25 h ALA 33 Cb 1.32 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 2x25 h ALA 33 CO 0.14 0.32 0.25 1.49 0.00 0.00 0.00 179.25 181.44 2x25 h GLU 34 N 0.73 0.87 0.05 0.00 4.57 -1.20 0.09 114.58 119.69 2x25 h GLU 34 Ca 0.18 -0.15 0.03 0.00 -1.18 0.00 0.00 59.36 58.23 2x25 h GLU 34 Cb 0.21 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.61 2x25 h GLU 34 CO -0.01 0.74 -0.29 -0.97 -1.18 0.00 0.00 179.01 177.29 2x25 h ASN 35 N 0.81 -0.85 -0.76 1.04 -1.24 -1.25 -0.86 115.58 112.46 2x25 h ASN 35 Ca 0.20 0.11 -0.02 0.00 0.71 0.00 0.00 56.30 57.30 2x25 h ASN 35 Cb 0.18 0.34 -0.04 0.00 0.73 0.00 0.00 38.32 39.53 2x25 h ASN 35 CO -0.02 -0.37 0.40 0.15 -1.29 0.00 0.00 177.43 176.30 2x25 h PHE 36 N -0.47 1.06 0.01 0.67 3.57 -1.22 -1.55 116.94 119.01 2x25 h PHE 36 Ca 0.05 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 2x25 h PHE 36 Cb 0.53 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.94 2x25 h PHE 36 CO -0.30 0.75 -0.01 -0.09 -2.23 0.00 0.00 178.31 176.44 2x25 h ARG 37 N 1.05 -0.01 -0.18 1.11 2.43 -0.82 -0.73 114.38 117.23 2x25 h ARG 37 Ca 0.26 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.30 2x25 h ARG 37 Cb 0.06 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2x25 h ARG 37 CO -0.04 0.03 -0.47 0.00 -1.51 0.00 0.00 179.97 177.98 2x25 h ALA 38 N 0.94 0.85 -0.21 2.80 0.00 -1.02 -1.27 119.26 121.34 2x25 h ALA 38 Ca -0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 2x25 h ALA 38 Cb 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2x25 h ALA 38 CO 0.00 0.66 -0.03 -0.07 0.00 0.00 0.00 179.25 179.82 2x25 h LEU 39 N 0.38 0.29 -0.25 0.00 3.38 -1.15 -1.11 115.31 116.85 2x25 h LEU 39 Ca 0.02 -0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.74 2x25 h LEU 39 Cb 0.97 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 2x25 h LEU 39 CO 0.09 0.37 -0.90 0.28 0.09 0.00 0.00 178.44 178.37 2x25 h SER 40 N 0.31 0.31 1.38 -0.43 0.02 -0.38 -0.73 113.55 114.04 2x25 h SER 40 Ca 0.07 -0.25 -0.12 0.00 -0.84 0.00 0.00 61.79 60.64 2x25 h SER 40 Cb 0.25 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 2x25 h SER 40 CO 0.01 1.06 -0.62 0.71 -1.14 0.00 0.00 176.83 176.84 2x25 h THR 41 N 0.13 0.94 -0.07 -2.27 1.35 -1.07 -2.78 112.91 109.14 2x25 h THR 41 Ca -0.05 -2.35 -0.03 0.00 -0.55 0.00 0.00 66.41 63.43 2x25 h THR 41 Cb 1.53 2.45 -0.01 0.00 -1.73 0.00 0.00 68.15 70.38 2x25 h THR 41 CO 0.14 0.53 -0.03 0.61 -0.25 0.00 0.00 175.52 176.53 2x25 n GLY 42 N 1.25 0.44 0.29 5.82 0.00 -0.44 -4.90 105.19 107.65 2x25 n GLY 42 Ca 0.01 -0.13 0.19 0.00 0.00 0.00 0.00 46.02 46.09 2x25 n GLY 42 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2x25 h GLU 43 N 0.52 0.00 -0.01 1.61 4.11 -1.81 -0.66 114.58 118.34 2x25 h GLU 43 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.40 2x25 h GLU 43 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2x25 h GLU 43 CO 0.04 0.00 -0.06 1.63 0.07 0.00 0.00 179.01 180.70 2x25 n LYS 44 N -2.99 1.53 0.00 1.06 5.02 -1.26 -4.94 118.16 116.58 2x25 n LYS 44 Ca -0.01 -0.92 0.00 0.00 -2.02 0.00 0.00 58.31 55.36 2x25 n LYS 44 Cb 0.20 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 2x25 n LYS 44 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2x25 n GLY 45 N 1.22 0.89 3.62 0.72 0.00 -0.25 -5.06 105.19 106.32 2x25 n GLY 45 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 2x25 n GLY 45 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2x25 s PHE 46 N -2.00 -0.37 -5.00 1.61 -0.12 -1.25 -5.11 117.98 105.75 2x25 s PHE 46 Ca 0.00 0.05 0.00 0.00 -0.05 0.00 0.00 56.93 56.93 2x25 s PHE 46 Cb 0.00 0.62 0.00 0.00 -0.63 0.00 0.00 43.02 43.01 2x25 s PHE 46 CO 0.00 -0.99 0.00 0.41 -0.05 0.00 0.00 175.22 174.59 2x25 n GLY 47 N -0.41 0.28 0.08 1.99 0.00 -1.26 -4.26 105.19 101.61 2x25 n GLY 47 Ca -0.11 -1.35 0.13 0.00 0.00 0.00 0.00 46.02 44.69 2x25 n GLY 47 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2x25 n TYR 48 N 9.00 0.72 -1.83 1.61 4.01 -0.28 -4.82 117.16 125.56 2x25 n TYR 48 Ca 0.00 0.21 -0.42 0.00 -0.16 0.00 0.00 57.90 57.53 2x25 n TYR 48 Cb 0.00 -0.81 -0.03 0.00 -0.31 0.00 0.00 39.34 38.19 2x25 n TYR 48 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 2x25 s LYS 49 N -3.09 4.17 0.00 -0.72 2.20 -1.26 -1.31 119.74 119.72 2x25 s LYS 49 Ca 0.10 2.46 0.00 0.00 -0.36 0.00 0.00 55.97 58.18 2x25 s LYS 49 Cb 0.14 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.94 2x25 s LYS 49 CO 0.61 -0.77 0.00 0.41 -0.36 0.00 0.00 175.35 175.24 2x25 n GLY 50 N 4.07 1.25 3.91 5.54 0.00 0.85 -5.05 105.19 115.76 2x25 n GLY 50 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 2x25 n GLY 50 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2x25 s SER 51 N -3.08 4.51 0.30 1.61 1.04 -0.43 -4.74 113.70 112.90 2x25 s SER 51 Ca 0.00 0.66 0.10 0.00 0.48 0.00 0.00 55.95 57.19 2x25 s SER 51 Cb 0.00 -1.17 -0.05 0.00 0.10 0.00 0.00 66.02 64.90 2x25 s SER 51 CO 0.00 -1.87 -0.05 0.00 0.98 0.00 0.00 173.24 172.30 2x25 s PHE 53 N -2.46 3.06 -0.23 0.00 0.40 -0.19 -3.91 117.98 114.66 2x25 s PHE 53 Ca 0.32 -0.50 0.22 0.00 -0.60 0.00 0.00 56.93 56.37 2x25 s PHE 53 Cb -0.03 -3.47 -0.01 0.00 0.51 0.00 0.00 43.02 40.02 2x25 s PHE 53 CO 0.18 -0.99 1.03 1.12 0.70 0.00 0.00 175.22 177.26 2x25 h HIS 54 N 8.96 0.00 -3.21 0.36 2.07 -1.73 -3.42 115.15 118.19 2x25 h HIS 54 Ca -0.27 0.00 -0.47 0.00 -2.85 0.00 0.00 60.37 56.78 2x25 h HIS 54 Cb 1.10 0.00 -0.40 0.00 2.57 0.00 0.00 27.41 30.68 2x25 h HIS 54 CO 0.74 0.06 -0.76 0.50 -3.07 0.00 0.00 177.93 175.40 2x25 s ARG 55 N -3.32 0.39 -0.08 5.12 3.52 -1.17 -4.51 118.95 118.89 2x25 s ARG 55 Ca -0.01 -0.11 -0.00 0.00 -0.13 0.00 0.00 55.73 55.48 2x25 s ARG 55 Cb 0.09 -1.59 0.02 0.00 -1.56 0.00 0.00 34.95 31.91 2x25 s ARG 55 CO 0.79 -0.54 -0.04 0.42 -0.81 0.00 0.00 175.30 175.12 2x25 s ILE 56 N 2.00 0.71 -0.31 4.11 1.01 -0.19 -0.35 121.20 128.18 2x25 s ILE 56 Ca 0.02 -0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.58 2x25 s ILE 56 Cb -0.15 -0.78 0.08 0.00 0.01 0.00 0.00 42.46 41.62 2x25 s ILE 56 CO -0.07 0.31 -0.00 -0.63 0.00 0.00 0.00 174.94 174.54 2x25 s ILE 57 N 1.65 2.47 0.32 2.92 1.01 -0.43 -2.02 121.20 127.13 2x25 s ILE 57 Ca 0.02 -1.87 -0.29 0.00 0.00 0.00 0.00 60.65 58.51 2x25 s ILE 57 Cb -0.13 -2.60 -0.12 0.00 0.01 0.00 0.00 42.46 39.62 2x25 s ILE 57 CO -0.05 -0.30 1.46 -2.65 0.00 0.00 0.00 174.94 173.40 2x25 n PRO 58 N 4.42 2.44 -0.14 2.79 -0.02 -1.26 -1.28 135.00 141.96 2x25 n PRO 58 Ca -0.07 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 2x25 n PRO 58 Cb 0.42 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 2x25 n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x25 n GLY 59 N 1.41 1.52 1.07 -1.23 0.00 -1.26 -4.84 105.19 101.85 2x25 n GLY 59 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2x25 n GLY 59 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2x25 n PHE 60 N -2.00 0.00 -3.53 1.61 7.35 -0.40 -4.44 117.46 116.05 2x25 n PHE 60 Ca 0.00 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.61 2x25 n PHE 60 Cb 0.00 0.15 -0.02 0.00 0.35 0.00 0.00 39.48 39.96 2x25 n PHE 60 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2x25 s MET 61 N -0.77 0.92 -0.19 -4.13 0.23 -0.91 -0.88 119.30 113.59 2x25 s MET 61 Ca 0.00 -0.37 -0.02 0.00 -1.03 0.00 0.00 55.69 54.27 2x25 s MET 61 Cb 0.00 0.40 -0.00 0.00 -1.53 0.00 0.00 34.83 33.70 2x25 s MET 61 CO 0.00 -0.41 -0.10 0.00 -2.03 0.00 0.00 175.02 172.48 2x25 s GLN 63 N 1.19 3.05 0.00 0.00 0.74 0.53 -0.66 119.66 124.52 2x25 s GLN 63 Ca 0.02 -0.70 0.00 0.00 0.05 0.00 0.00 55.36 54.73 2x25 s GLN 63 Cb -0.14 -2.53 0.00 0.00 1.10 0.00 0.00 33.01 31.44 2x25 s GLN 63 CO -0.04 0.36 0.00 0.41 -0.55 0.00 0.00 175.29 175.48 2x25 n GLY 64 N 3.08 4.13 0.61 2.59 0.00 -0.50 -2.09 105.19 113.02 2x25 n GLY 64 Ca -0.18 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.58 2x25 n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x25 n GLY 65 N 0.00 0.60 3.46 -0.02 0.00 -1.25 -1.60 105.19 106.38 2x25 n GLY 65 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2x25 n GLY 65 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2x25 n ASP 66 N 0.00 5.10 -0.04 1.61 -0.08 -1.26 -3.96 116.55 117.91 2x25 n ASP 66 Ca 0.00 -2.96 0.15 0.00 -1.51 0.00 0.00 54.79 50.46 2x25 n ASP 66 Cb 0.00 -1.63 0.71 0.00 2.34 0.00 0.00 41.12 42.54 2x25 n ASP 66 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 2x25 n PHE 67 N 6.47 0.00 -0.12 -0.67 1.16 -1.26 -1.95 117.46 121.09 2x25 n PHE 67 Ca 0.41 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.84 2x25 n PHE 67 Cb 0.43 -0.24 -0.13 0.00 -1.61 0.00 0.00 39.48 37.94 2x25 n PHE 67 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 2x25 n THR 68 N -1.16 1.41 0.00 1.97 -2.24 -1.26 -4.77 114.28 108.23 2x25 n THR 68 Ca 0.15 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 2x25 n THR 68 Cb 0.25 -1.09 0.00 0.00 -2.10 0.00 0.00 70.33 67.39 2x25 n THR 68 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2x25 n ARG 69 N -3.07 5.70 -1.24 -0.78 1.74 -1.25 -4.93 116.66 112.82 2x25 n ARG 69 Ca -0.40 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.59 2x25 n ARG 69 Cb 1.03 -0.49 -0.04 0.00 -1.02 0.00 0.00 32.46 31.94 2x25 n ARG 69 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2x25 n HIS 70 N -0.93 0.00 -1.39 -1.55 8.25 -0.82 -4.76 115.22 114.01 2x25 n HIS 70 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2x25 n HIS 70 Cb 0.00 -1.89 0.00 0.00 1.12 0.00 0.00 29.99 29.22 2x25 n HIS 70 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2x25 n ASN 71 N -0.10 0.00 0.00 0.41 0.23 -1.26 -4.85 115.26 109.69 2x25 n ASN 71 Ca -0.08 -1.00 0.00 0.00 -0.53 0.00 0.00 54.58 52.97 2x25 n ASN 71 Cb 0.36 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 2x25 n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2x25 n GLY 72 N 0.00 0.59 0.64 4.83 0.00 -1.26 -4.94 105.19 105.05 2x25 n GLY 72 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2x25 n GLY 72 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2x25 n THR 73 N -2.00 0.00 -1.49 2.61 -2.24 -1.26 -4.99 114.28 104.91 2x25 n THR 73 Ca 0.00 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2x25 n THR 73 Cb 0.00 1.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 2x25 n THR 73 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x25 n GLY 74 N 1.39 5.16 0.00 3.38 0.00 -1.26 -4.98 105.19 108.88 2x25 n GLY 74 Ca 0.11 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.50 2x25 n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x25 n GLY 75 N 4.11 2.17 3.28 -0.02 0.00 -1.26 -4.77 105.19 108.70 2x25 n GLY 75 Ca 0.00 -1.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 2x25 n GLY 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x25 s LYS 76 N -3.12 0.42 0.91 1.61 2.47 -1.26 -4.69 119.74 116.07 2x25 s LYS 76 Ca 0.00 0.72 -0.12 0.00 -1.56 0.00 0.00 55.97 55.01 2x25 s LYS 76 Cb 0.00 0.05 0.14 0.00 -1.46 0.00 0.00 37.83 36.56 2x25 s LYS 76 CO 0.00 -0.13 1.13 -1.54 0.16 0.00 0.00 175.35 174.97 2x25 s SER 77 N 1.04 3.50 0.04 1.43 1.04 -1.24 -4.15 113.70 115.35 2x25 s SER 77 Ca -0.07 1.04 0.19 0.00 0.48 0.00 0.00 55.95 57.60 2x25 s SER 77 Cb -0.07 -1.65 0.80 0.00 0.10 0.00 0.00 66.02 65.21 2x25 s SER 77 CO -0.09 -2.57 1.61 2.30 0.98 0.00 0.00 173.24 175.48 2x25 n ILE 78 N -3.79 0.74 1.32 -1.02 -5.35 -1.26 -3.17 119.36 106.84 2x25 n ILE 78 Ca 0.06 0.17 0.13 0.00 -0.27 0.00 0.00 62.75 62.85 2x25 n ILE 78 Cb 0.59 -0.89 0.38 0.00 -1.74 0.00 0.00 39.64 37.98 2x25 n ILE 78 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2x25 n TYR 79 N -1.61 0.00 0.00 4.28 4.01 -1.26 -4.98 117.16 117.60 2x25 n TYR 79 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 2x25 n TYR 79 Cb 0.22 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 2x25 n TYR 79 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2x25 n GLY 80 N 1.26 1.24 3.82 2.72 0.00 -1.19 -4.94 105.19 108.10 2x25 n GLY 80 Ca 0.16 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 2x25 n GLY 80 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2x25 s GLU 81 N 0.00 2.85 0.69 1.61 -1.05 -1.26 -4.31 118.70 117.24 2x25 s GLU 81 Ca 0.00 0.86 -0.17 0.00 -0.15 0.00 0.00 54.97 55.51 2x25 s GLU 81 Cb 0.00 -1.99 -0.05 0.00 -0.44 0.00 0.00 34.13 31.66 2x25 s GLU 81 CO 0.00 -1.13 0.55 1.17 0.95 0.00 0.00 175.26 176.80 2x25 n LYS 82 N -3.14 0.36 -4.44 -4.83 3.00 -1.26 -4.59 118.16 103.26 2x25 n LYS 82 Ca 0.07 0.16 -0.21 0.00 -0.00 0.00 0.00 58.31 58.33 2x25 n LYS 82 Cb 0.54 -1.83 -0.11 0.00 0.00 0.00 0.00 35.03 33.64 2x25 n LYS 82 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.40 176.81 2x25 s PHE 83 N -1.86 1.93 0.77 5.64 -0.12 0.13 -4.85 117.98 119.62 2x25 s PHE 83 Ca 0.67 -0.89 -0.11 0.00 -0.05 0.00 0.00 56.93 56.54 2x25 s PHE 83 Cb -0.37 -1.22 0.06 0.00 -0.63 0.00 0.00 43.02 40.86 2x25 s PHE 83 CO 0.57 0.08 1.10 -1.83 -0.05 0.00 0.00 175.22 175.09 2x25 s GLU 84 N -3.85 2.22 -0.39 1.99 1.03 -1.26 -1.61 118.70 116.82 2x25 s GLU 84 Ca 0.34 1.27 -0.28 0.00 0.03 0.00 0.00 54.97 56.33 2x25 s GLU 84 Cb 0.07 -1.89 -0.00 0.00 -0.80 0.00 0.00 34.13 31.51 2x25 s GLU 84 CO 0.14 -1.68 1.59 -0.51 -1.33 0.00 0.00 175.26 173.46 2x25 s ASP 85 N -3.12 6.10 0.03 0.83 1.01 -1.26 -4.80 116.67 115.47 2x25 s ASP 85 Ca 0.63 0.98 -0.24 0.00 0.71 0.00 0.00 52.55 54.63 2x25 s ASP 85 Cb -0.19 -2.53 -0.17 0.00 1.01 0.00 0.00 42.92 41.04 2x25 s ASP 85 CO 0.53 -1.59 1.47 -0.08 0.21 0.00 0.00 175.17 175.71 2x25 h GLU 86 N 11.77 0.05 -2.38 8.23 4.81 -2.00 -3.47 114.58 131.59 2x25 h GLU 86 Ca -0.30 -0.02 0.17 0.00 -0.13 0.00 0.00 59.36 59.09 2x25 h GLU 86 Cb 1.13 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.44 2x25 h GLU 86 CO 1.07 0.33 0.51 0.54 -0.73 0.00 0.00 179.01 180.73 2x25 s ASN 87 N -5.54 -0.12 -0.25 1.04 2.20 -1.26 -5.04 114.94 105.97 2x25 s ASN 87 Ca -0.15 -0.49 0.09 0.00 -0.94 0.00 0.00 52.86 51.38 2x25 s ASN 87 Cb 0.04 0.49 0.45 0.00 -2.00 0.00 0.00 41.25 40.23 2x25 s ASN 87 CO 0.68 -0.94 1.20 0.49 -2.94 0.00 0.00 177.10 175.59 2x25 n PHE 88 N -0.53 1.57 -0.16 1.54 3.72 -1.26 -4.73 117.46 117.61 2x25 n PHE 88 Ca -0.05 -1.90 -0.08 0.00 -0.05 0.00 0.00 57.45 55.36 2x25 n PHE 88 Cb 0.60 -0.30 0.01 0.00 -0.94 0.00 0.00 39.48 38.85 2x25 n PHE 88 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 2x25 h ILE 89 N 1.94 1.19 -3.32 4.37 2.04 -1.95 -3.43 117.51 118.35 2x25 h ILE 89 Ca 0.20 -0.56 -0.56 0.00 1.00 0.00 0.00 64.86 64.93 2x25 h ILE 89 Cb 1.33 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 2x25 h ILE 89 CO 0.43 0.22 -0.07 -0.76 0.00 0.00 0.00 178.15 177.97 2x25 s LEU 90 N -9.85 4.36 0.33 1.44 1.43 -1.26 -5.08 118.68 110.05 2x25 s LEU 90 Ca -0.13 1.12 0.08 0.00 -1.03 0.00 0.00 54.13 54.17 2x25 s LEU 90 Cb 0.11 -3.23 -0.04 0.00 0.03 0.00 0.00 46.19 43.06 2x25 s LEU 90 CO 0.76 0.12 0.15 -0.54 0.23 0.00 0.00 176.35 177.08 2x25 s LYS 91 N -1.84 2.44 -0.92 1.70 -0.14 -1.26 -4.38 119.74 115.34 2x25 s LYS 91 Ca 0.37 -1.48 -0.20 0.00 -1.36 0.00 0.00 55.97 53.30 2x25 s LYS 91 Cb -0.16 -2.23 0.11 0.00 -1.68 0.00 0.00 37.83 33.87 2x25 s LYS 91 CO 0.19 0.14 1.17 -1.01 -0.76 0.00 0.00 175.35 175.08 2x25 s HIS 92 N -2.39 2.99 -0.65 3.18 3.76 -1.26 -4.82 115.29 116.10 2x25 s HIS 92 Ca 0.37 -1.24 0.22 0.00 -0.15 0.00 0.00 55.06 54.27 2x25 s HIS 92 Cb -0.03 -4.35 -0.03 0.00 1.11 0.00 0.00 32.58 29.27 2x25 s HIS 92 CO 0.23 -1.57 0.96 0.25 -0.85 0.00 0.00 174.74 173.75 2x25 n THR 93 N 5.76 0.10 -2.52 1.30 -2.24 -1.26 -3.53 114.28 111.89 2x25 n THR 93 Ca 0.23 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2x25 n THR 93 Cb 0.49 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 2x25 n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x25 n GLY 94 N 1.39 -1.64 3.70 3.38 0.00 -1.26 -4.68 105.19 106.08 2x25 n GLY 94 Ca 0.02 -1.13 -0.39 0.00 0.00 0.00 0.00 46.02 44.53 2x25 n GLY 94 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2x25 n PRO 95 N -0.20 1.45 0.00 1.61 -0.02 -1.25 -3.13 135.00 133.46 2x25 n PRO 95 Ca 0.00 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2x25 n PRO 95 Cb 0.00 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.04 2x25 n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x25 n GLY 96 N 0.92 1.35 3.75 -1.23 0.00 0.63 -4.93 105.19 105.68 2x25 n GLY 96 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2x25 n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x25 s ILE 97 N -2.33 2.56 -0.23 -0.61 -1.09 -1.18 -0.41 121.20 117.91 2x25 s ILE 97 Ca 0.00 0.49 -0.06 0.00 -2.23 0.00 0.00 60.65 58.85 2x25 s ILE 97 Cb 0.00 -3.31 -0.02 0.00 -1.58 0.00 0.00 42.46 37.55 2x25 s ILE 97 CO 0.00 0.09 0.02 -0.22 -1.23 0.00 0.00 174.94 173.60 2x25 s LEU 98 N -0.69 3.27 0.03 2.97 2.96 -0.29 -0.77 118.68 126.15 2x25 s LEU 98 Ca 0.58 -0.24 -0.00 0.00 -0.22 0.00 0.00 54.13 54.24 2x25 s LEU 98 Cb -0.43 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.38 2x25 s LEU 98 CO 0.46 -0.00 -0.03 -0.55 -1.32 0.00 0.00 176.35 174.92 2x25 s SER 99 N 1.39 0.33 0.01 3.68 0.15 -0.69 -1.37 113.70 117.19 2x25 s SER 99 Ca 0.05 -0.68 -0.27 0.00 0.70 0.00 0.00 55.95 55.75 2x25 s SER 99 Cb -0.15 0.14 -0.04 0.00 -1.71 0.00 0.00 66.02 64.26 2x25 s SER 99 CO 0.01 -0.41 0.84 -0.04 1.20 0.00 0.00 173.24 174.85 2x25 s MET 100 N -2.35 4.53 0.65 5.44 -1.94 -0.24 -0.57 119.30 124.81 2x25 s MET 100 Ca -0.08 1.18 -0.13 0.00 -1.71 0.00 0.00 55.69 54.95 2x25 s MET 100 Cb -0.03 -3.42 -0.01 0.00 2.01 0.00 0.00 34.83 33.38 2x25 s MET 100 CO -0.04 0.11 1.06 0.00 -0.01 0.00 0.00 175.02 176.14 2x25 s ALA 101 N 0.53 2.66 0.31 3.03 0.00 -0.63 -4.31 121.76 123.37 2x25 s ALA 101 Ca 0.44 0.26 -0.18 0.00 0.00 0.00 0.00 51.96 52.47 2x25 s ALA 101 Cb -0.20 -3.21 0.06 0.00 0.00 0.00 0.00 23.12 19.76 2x25 s ALA 101 CO 0.24 -1.08 0.86 0.54 0.00 0.00 0.00 175.76 176.32 2x25 s ASN 102 N -3.25 -0.03 -0.23 0.00 2.20 -1.26 -4.56 114.94 107.81 2x25 s ASN 102 Ca 0.61 -0.94 0.11 0.00 -0.94 0.00 0.00 52.86 51.70 2x25 s ASN 102 Cb -0.15 0.73 0.44 0.00 -2.00 0.00 0.00 41.25 40.27 2x25 s ASN 102 CO 0.46 -1.44 1.30 0.00 -2.94 0.00 0.00 177.10 174.49 2x25 n ALA 103 N -0.57 3.80 0.00 3.54 0.00 -1.26 -5.08 120.51 120.94 2x25 n ALA 103 Ca -0.06 -3.20 0.00 0.00 0.00 0.00 0.00 53.44 50.17 2x25 n ALA 103 Cb 0.60 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.56 2x25 n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x25 n GLY 104 N -1.13 1.28 3.60 0.00 0.00 -1.26 -5.00 105.19 102.67 2x25 n GLY 104 Ca 0.24 -2.24 -0.47 0.00 0.00 0.00 0.00 46.02 43.55 2x25 n GLY 104 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2x25 n PRO 105 N -1.14 1.37 -3.68 1.61 -0.02 -1.26 -3.28 135.00 128.61 2x25 n PRO 105 Ca 0.00 0.49 -0.22 0.00 -2.02 0.00 0.00 63.50 61.74 2x25 n PRO 105 Cb 0.00 -1.98 0.05 0.00 -0.02 0.00 0.00 33.50 31.55 2x25 n PRO 105 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2x25 n ASN 106 N 1.82 -2.40 -1.99 2.55 5.03 -1.26 -4.93 115.26 114.08 2x25 n ASN 106 Ca 0.13 -0.75 -0.04 0.00 0.87 0.00 0.00 54.58 54.78 2x25 n ASN 106 Cb 0.28 -4.31 0.06 0.00 -1.02 0.00 0.00 39.78 34.79 2x25 n ASN 106 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2x25 n THR 107 N -4.38 1.46 -2.42 3.41 -2.24 -1.21 -4.54 114.28 104.37 2x25 n THR 107 Ca -0.21 -2.88 -0.41 0.00 -2.27 0.00 0.00 64.05 58.27 2x25 n THR 107 Cb 0.64 0.38 -0.04 0.00 -2.10 0.00 0.00 70.33 69.21 2x25 n THR 107 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2x25 s ASN 108 N -3.27 7.13 0.00 3.42 0.01 -0.64 -4.33 114.94 117.26 2x25 s ASN 108 Ca 0.36 2.18 0.00 0.00 -0.71 0.00 0.00 52.86 54.69 2x25 s ASN 108 Cb 0.37 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 39.42 2x25 s ASN 108 CO -0.05 -0.34 0.00 0.61 -1.51 0.00 0.00 177.10 175.81 2x25 n GLY 109 N 2.25 1.66 0.00 0.66 0.00 -1.26 -0.69 105.19 107.81 2x25 n GLY 109 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2x25 n GLY 109 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2x25 n SER 110 N 0.00 1.36 -4.77 1.61 3.41 -1.26 -3.72 113.62 110.26 2x25 n SER 110 Ca 0.00 -0.32 -0.39 0.00 -0.26 0.00 0.00 58.87 57.89 2x25 n SER 110 Cb 0.00 0.92 -0.04 0.00 -0.26 0.00 0.00 64.21 64.83 2x25 n SER 110 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2x25 s GLN 111 N -1.19 4.48 0.16 4.33 -0.21 -1.25 -4.55 119.66 121.42 2x25 s GLN 111 Ca 0.00 1.72 -0.06 0.00 0.02 0.00 0.00 55.36 57.04 2x25 s GLN 111 Cb 0.00 -2.98 -0.02 0.00 1.00 0.00 0.00 33.01 31.01 2x25 s GLN 111 CO 0.00 0.09 0.22 -0.59 -2.12 0.00 0.00 175.29 172.89 2x25 s PHE 112 N -1.31 0.56 0.05 0.91 -0.12 -0.63 -1.60 117.98 115.84 2x25 s PHE 112 Ca 0.49 -0.92 0.01 0.00 -0.05 0.00 0.00 56.93 56.46 2x25 s PHE 112 Cb -0.29 -0.19 -0.03 0.00 -0.63 0.00 0.00 43.02 41.88 2x25 s PHE 112 CO 0.37 -0.67 -0.06 -0.59 -0.05 0.00 0.00 175.22 174.22 2x25 s PHE 113 N -4.00 0.62 -0.25 3.49 -0.71 0.26 -1.40 117.98 115.99 2x25 s PHE 113 Ca 0.20 -0.67 -0.03 0.00 -1.04 0.00 0.00 56.93 55.40 2x25 s PHE 113 Cb 0.04 -0.39 0.02 0.00 -1.21 0.00 0.00 43.02 41.49 2x25 s PHE 113 CO 0.01 -0.15 -0.04 0.42 -1.34 0.00 0.00 175.22 174.12 2x25 s ILE 114 N -2.21 3.11 0.40 -4.49 1.01 0.17 -1.71 121.20 117.48 2x25 s ILE 114 Ca -0.04 -0.90 -0.25 0.00 0.00 0.00 0.00 60.65 59.46 2x25 s ILE 114 Cb -0.04 -2.56 -0.08 0.00 0.01 0.00 0.00 42.46 39.78 2x25 s ILE 114 CO -0.02 0.21 1.15 0.00 0.00 0.00 0.00 174.94 176.27 2x25 n THR 116 N 0.05 1.29 -3.82 0.00 -2.24 -0.05 -0.27 114.28 109.25 2x25 n THR 116 Ca 0.04 -1.33 -0.05 0.00 -2.27 0.00 0.00 64.05 60.44 2x25 n THR 116 Cb 0.47 0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.97 2x25 n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2x25 s ALA 117 N -1.53 -1.40 -0.02 6.98 0.00 -1.25 -4.60 121.76 119.94 2x25 s ALA 117 Ca 0.15 -0.13 -0.30 0.00 0.00 0.00 0.00 51.96 51.68 2x25 s ALA 117 Cb 0.11 0.76 -0.05 0.00 0.00 0.00 0.00 23.12 23.94 2x25 s ALA 117 CO 0.05 -1.04 1.42 0.21 0.00 0.00 0.00 175.76 176.40 2x25 s LYS 118 N -3.64 4.27 -0.52 0.00 2.20 -1.26 -3.74 119.74 117.04 2x25 s LYS 118 Ca 0.12 1.97 0.07 0.00 -0.36 0.00 0.00 55.97 57.77 2x25 s LYS 118 Cb -0.04 -3.63 0.35 0.00 -1.51 0.00 0.00 37.83 32.99 2x25 s LYS 118 CO 0.05 -0.62 0.90 0.25 -0.36 0.00 0.00 175.35 175.57 2x25 n THR 119 N 4.81 2.18 0.29 3.43 -2.24 -1.23 -4.92 114.28 116.60 2x25 n THR 119 Ca 0.14 -5.27 0.17 0.00 -2.27 0.00 0.00 64.05 56.82 2x25 n THR 119 Cb 0.44 -1.07 0.88 0.00 -2.10 0.00 0.00 70.33 68.48 2x25 n THR 119 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2x25 h LYS 120 N 2.97 0.00 0.00 -0.78 -0.00 -1.93 -1.44 116.57 115.39 2x25 h LYS 120 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.77 2x25 h LYS 120 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.88 2x25 h LYS 120 CO 0.73 0.04 0.00 -2.67 -0.00 0.00 0.00 179.45 177.56 2x25 n TRP 121 N -3.31 0.00 1.08 0.07 2.14 -1.26 -1.54 117.44 114.63 2x25 n TRP 121 Ca -0.02 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.68 2x25 n TRP 121 Cb 0.20 -0.42 0.25 0.00 -0.81 0.00 0.00 31.31 30.53 2x25 n TRP 121 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 2x25 n LEU 122 N -1.42 0.78 -4.73 5.67 4.77 -0.54 -4.93 117.00 116.60 2x25 n LEU 122 Ca 0.04 -0.16 -0.42 0.00 -0.03 0.00 0.00 56.01 55.44 2x25 n LEU 122 Cb 0.14 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.03 2x25 n LEU 122 CO 0.12 0.17 1.32 0.47 -1.33 0.00 0.00 177.39 178.13 2x25 n ASP 123 N -1.15 3.96 -0.03 -1.43 8.00 -0.59 -2.13 116.55 123.18 2x25 n ASP 123 Ca 0.08 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.68 2x25 n ASP 123 Cb 0.34 -1.59 0.00 0.00 -0.02 0.00 0.00 41.12 39.86 2x25 n ASP 123 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2x25 n GLY 124 N 3.16 0.66 1.21 0.44 0.00 -1.26 -5.11 105.19 104.29 2x25 n GLY 124 Ca 0.13 -0.73 -0.19 0.00 0.00 0.00 0.00 46.02 45.22 2x25 n GLY 124 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2x25 n HIS 126 N -3.42 0.07 -2.56 1.61 8.25 -0.91 -5.05 115.22 113.21 2x25 n HIS 126 Ca 0.00 0.36 -0.43 0.00 -0.26 0.00 0.00 57.72 57.39 2x25 n HIS 126 Cb 0.42 -0.71 -0.02 0.00 1.12 0.00 0.00 29.99 30.80 2x25 n HIS 126 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2x25 s VAL 127 N -0.14 4.37 0.04 1.59 1.01 -1.26 -4.83 120.40 121.18 2x25 s VAL 127 Ca 0.28 1.56 -0.30 0.00 0.00 0.00 0.00 61.98 63.52 2x25 s VAL 127 Cb -0.40 -4.33 -0.04 0.00 0.00 0.00 0.00 36.38 31.61 2x25 s VAL 127 CO 0.20 -0.50 1.01 -0.69 0.00 0.00 0.00 175.10 175.11 2x25 s VAL 128 N 3.92 4.62 0.00 2.92 1.01 -1.26 -1.08 120.40 130.53 2x25 s VAL 128 Ca 0.49 1.96 0.00 0.00 0.00 0.00 0.00 61.98 64.44 2x25 s VAL 128 Cb -0.14 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 31.99 2x25 s VAL 128 CO 0.19 0.20 0.13 2.22 0.00 0.00 0.00 175.10 177.84 2x25 n PHE 129 N 3.55 0.00 -3.78 5.22 1.16 -0.47 -4.68 117.46 118.45 2x25 n PHE 129 Ca 0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 55.62 2x25 n PHE 129 Cb 0.50 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 38.38 2x25 n PHE 129 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2x25 n GLY 130 N 0.00 0.74 3.37 4.97 0.00 -1.08 -0.26 105.19 112.93 2x25 n GLY 130 Ca 0.00 -1.04 -0.15 0.00 0.00 0.00 0.00 46.02 44.82 2x25 n GLY 130 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x25 s LYS 131 N -2.03 0.82 0.23 1.61 2.20 -0.43 -1.14 119.74 121.01 2x25 s LYS 131 Ca 0.16 0.07 -0.32 0.00 -0.36 0.00 0.00 55.97 55.52 2x25 s LYS 131 Cb -0.01 0.38 -0.13 0.00 -1.51 0.00 0.00 37.83 36.56 2x25 s LYS 131 CO 0.03 -0.23 1.59 0.28 -0.36 0.00 0.00 175.35 176.65 2x25 n VAL 132 N 1.26 0.55 -0.13 4.02 0.31 0.45 -1.02 118.33 123.77 2x25 n VAL 132 Ca -0.20 -0.14 -0.24 0.00 -0.01 0.00 0.00 64.34 63.75 2x25 n VAL 132 Cb 0.56 -1.78 -0.10 0.00 -0.91 0.00 0.00 33.84 31.61 2x25 n VAL 132 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2x25 n LYS 133 N 2.84 0.57 -3.97 5.55 4.81 0.63 -4.82 118.16 123.77 2x25 n LYS 133 Ca 0.13 0.21 -0.09 0.00 -0.87 0.00 0.00 58.31 57.68 2x25 n LYS 133 Cb 0.34 -1.44 -0.11 0.00 0.02 0.00 0.00 35.03 33.83 2x25 n LYS 133 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2x25 s GLU 134 N -2.48 0.36 0.00 1.64 2.02 -1.17 -4.93 118.70 114.14 2x25 s GLU 134 Ca -0.35 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.02 2x25 s GLU 134 Cb 0.12 0.13 0.00 0.00 0.10 0.00 0.00 34.13 34.49 2x25 s GLU 134 CO 0.49 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 176.11 2x25 n GLY 135 N 1.47 0.42 0.27 -1.39 0.00 -1.26 -0.90 105.19 103.79 2x25 n GLY 135 Ca -0.23 -0.95 0.11 0.00 0.00 0.00 0.00 46.02 44.95 2x25 n GLY 135 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2x25 h MET 136 N 0.00 0.00 0.00 1.61 4.05 -1.92 -0.21 114.93 118.46 2x25 h MET 136 Ca 0.00 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 2x25 h MET 136 Cb 0.53 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.33 2x25 h MET 136 CO 0.00 0.03 -0.09 -2.95 0.23 0.00 0.00 176.91 174.13 2x25 h ASN 137 N 0.00 0.00 -0.16 1.39 -1.07 -1.95 -0.03 115.58 113.76 2x25 h ASN 137 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 56.30 56.25 2x25 h ASN 137 Cb 0.06 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.31 2x25 h ASN 137 CO 0.00 0.09 -0.36 0.40 0.07 0.00 0.00 177.43 177.63 2x25 h ILE 138 N 0.00 1.35 -0.45 6.14 1.08 -1.36 -0.63 117.51 123.64 2x25 h ILE 138 Ca -0.00 -1.62 0.06 0.00 -0.39 0.00 0.00 64.86 62.90 2x25 h ILE 138 Cb 0.17 1.98 -0.05 0.00 -3.07 0.00 0.00 36.82 35.85 2x25 h ILE 138 CO 0.01 0.49 0.16 0.58 -0.69 0.00 0.00 178.15 178.70 2x25 h VAL 139 N 0.17 0.85 -0.87 1.67 2.07 -1.14 -0.23 116.25 118.78 2x25 h VAL 139 Ca -0.00 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.42 2x25 h VAL 139 Cb 0.97 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 2x25 h VAL 139 CO 0.08 0.06 0.58 -0.33 0.02 0.00 0.00 177.57 177.98 2x25 h GLU 140 N 0.33 1.14 -0.25 1.57 5.08 -0.85 -0.20 114.58 121.40 2x25 h GLU 140 Ca 0.21 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 2x25 h GLU 140 Cb 0.21 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2x25 h GLU 140 CO -0.22 0.75 0.08 0.00 -1.00 0.00 0.00 179.01 178.62 2x25 h ALA 141 N 1.46 0.33 -0.01 3.43 0.00 -0.67 -3.09 119.26 120.71 2x25 h ALA 141 Ca 0.32 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 2x25 h ALA 141 Cb -0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2x25 h ALA 141 CO -0.07 -0.04 -0.42 0.00 0.00 0.00 0.00 179.25 178.72 2x25 h MET 142 N 0.24 0.02 0.00 0.00 -0.00 -0.69 -2.69 114.93 111.82 2x25 h MET 142 Ca 0.08 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.70 59.76 2x25 h MET 142 Cb 0.24 -0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.84 2x25 h MET 142 CO -0.00 0.44 -0.06 1.49 -0.00 0.00 0.00 176.91 178.79 2x25 h GLU 143 N 0.02 0.00 0.00 -0.10 4.81 -0.96 -1.78 114.58 116.58 2x25 h GLU 143 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2x25 h GLU 143 Cb 0.75 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.13 2x25 h GLU 143 CO 0.06 0.06 0.00 0.00 -0.73 0.00 0.00 179.01 178.39 2x25 h ARG 144 N 0.00 0.00 -0.09 1.92 3.08 -1.48 -1.51 114.38 116.29 2x25 h ARG 144 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2x25 h ARG 144 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2x25 h ARG 144 CO 0.01 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.10 2x25 n PHE 145 N -2.78 0.11 -1.70 3.04 3.72 -0.67 -4.88 117.46 114.30 2x25 n PHE 145 Ca -0.00 -0.05 -0.02 0.00 -0.05 0.00 0.00 57.45 57.33 2x25 n PHE 145 Cb 0.19 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.74 2x25 n PHE 145 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2x25 n GLY 146 N 1.15 -0.12 3.79 1.37 0.00 -0.57 -0.58 105.19 110.23 2x25 n GLY 146 Ca 0.18 -1.83 -0.08 0.00 0.00 0.00 0.00 46.02 44.29 2x25 n GLY 146 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2x25 s SER 147 N -1.26 -0.14 0.46 1.61 1.04 -0.85 -4.74 113.70 109.81 2x25 s SER 147 Ca 0.04 -0.80 0.13 0.00 0.48 0.00 0.00 55.95 55.81 2x25 s SER 147 Cb -0.00 0.73 1.04 0.00 0.10 0.00 0.00 66.02 67.89 2x25 s SER 147 CO 0.03 -1.38 2.04 0.08 0.98 0.00 0.00 173.24 174.99 2x25 h ARG 148 N 2.04 0.10 -0.15 4.02 0.11 -1.90 -0.55 114.38 118.06 2x25 h ARG 148 Ca -0.23 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.84 2x25 h ARG 148 Cb 1.25 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.31 2x25 h ARG 148 CO 0.29 0.17 0.00 0.27 0.10 0.00 0.00 179.97 180.80 2x25 n ASN 149 N -4.41 2.05 0.00 0.08 0.23 -1.26 -4.94 115.26 107.00 2x25 n ASN 149 Ca -0.02 -1.73 0.00 0.00 -0.53 0.00 0.00 54.58 52.30 2x25 n ASN 149 Cb 0.17 -0.09 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 2x25 n ASN 149 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2x25 n GLY 150 N 1.22 1.78 3.74 4.83 0.00 -0.21 -4.97 105.19 111.58 2x25 n GLY 150 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2x25 n GLY 150 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x25 s LYS 151 N -0.63 4.35 0.19 1.61 2.47 -1.26 -1.03 119.74 125.45 2x25 s LYS 151 Ca 0.00 2.12 -0.16 0.00 -1.56 0.00 0.00 55.97 56.36 2x25 s LYS 151 Cb 0.00 -3.18 -0.08 0.00 -1.46 0.00 0.00 37.83 33.11 2x25 s LYS 151 CO 0.00 -0.32 0.63 0.95 0.16 0.00 0.00 175.35 176.77 2x25 s THR 152 N 0.24 4.73 -1.19 3.43 -4.23 -1.26 -3.28 115.64 114.08 2x25 s THR 152 Ca 0.59 1.01 0.24 0.00 -1.18 0.00 0.00 61.69 62.34 2x25 s THR 152 Cb -0.38 -3.77 -0.05 0.00 1.34 0.00 0.00 72.50 69.65 2x25 s THR 152 CO 0.38 0.18 1.22 -1.54 -0.54 0.00 0.00 174.62 174.33 2x25 n SER 153 N 0.64 0.88 -4.13 3.99 3.41 0.25 -4.85 113.62 113.81 2x25 n SER 153 Ca -0.03 -0.71 -0.11 0.00 -0.26 0.00 0.00 58.87 57.77 2x25 n SER 153 Cb 0.52 0.52 -0.10 0.00 -0.26 0.00 0.00 64.21 64.88 2x25 n SER 153 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2x25 s LYS 154 N -2.89 0.72 -0.28 4.33 1.02 -1.26 -5.12 119.74 116.25 2x25 s LYS 154 Ca 0.12 -1.17 -0.26 0.00 0.02 0.00 0.00 55.97 54.68 2x25 s LYS 154 Cb 0.17 -0.16 0.01 0.00 -0.52 0.00 0.00 37.83 37.33 2x25 s LYS 154 CO 0.73 -0.02 0.93 0.21 -0.92 0.00 0.00 175.35 176.28 2x25 s LYS 155 N -3.28 4.09 -0.33 1.68 2.47 -1.26 -4.87 119.74 118.24 2x25 s LYS 155 Ca 0.06 0.94 -0.10 0.00 -1.56 0.00 0.00 55.97 55.31 2x25 s LYS 155 Cb 0.02 -3.70 0.01 0.00 -1.46 0.00 0.00 37.83 32.70 2x25 s LYS 155 CO -0.04 -0.70 0.17 0.42 0.16 0.00 0.00 175.35 175.35 2x25 s ILE 156 N 3.18 4.54 0.18 5.43 -1.09 -1.26 -0.62 121.20 131.56 2x25 s ILE 156 Ca 0.39 -0.60 0.09 0.00 -2.23 0.00 0.00 60.65 58.30 2x25 s ILE 156 Cb -0.14 -3.39 -0.04 0.00 -1.58 0.00 0.00 42.46 37.30 2x25 s ILE 156 CO 0.11 -0.04 -0.19 0.42 -1.23 0.00 0.00 174.94 174.02 2x25 s THR 157 N 1.58 1.90 -0.77 2.92 -4.23 -0.26 -1.02 115.64 115.76 2x25 s THR 157 Ca 0.03 -1.98 -0.18 0.00 -1.18 0.00 0.00 61.69 58.38 2x25 s THR 157 Cb -0.18 -1.91 0.13 0.00 1.34 0.00 0.00 72.50 71.88 2x25 s THR 157 CO 0.06 -0.32 0.90 -0.63 -0.54 0.00 0.00 174.62 174.09 2x25 s ILE 158 N -2.11 4.88 0.23 2.99 1.01 0.34 -0.86 121.20 127.69 2x25 s ILE 158 Ca 0.17 -1.41 -0.02 0.00 0.00 0.00 0.00 60.65 59.39 2x25 s ILE 158 Cb -0.05 -4.62 0.05 0.00 0.01 0.00 0.00 42.46 37.84 2x25 s ILE 158 CO 0.07 -1.29 1.66 0.00 0.00 0.00 0.00 174.94 175.38 2x25 h ALA 159 N 8.84 0.94 -2.71 9.38 0.00 -1.07 0.24 119.26 134.89 2x25 h ALA 159 Ca -0.05 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 2x25 h ALA 159 Cb 1.05 -0.15 -0.13 0.00 0.00 0.00 0.00 17.79 18.56 2x25 h ALA 159 CO 1.05 0.61 -0.12 0.34 0.00 0.00 0.00 179.25 181.13 2x25 s ASP 160 N -6.76 -0.18 0.09 0.00 2.15 -1.15 -4.51 116.67 106.31 2x25 s ASP 160 Ca -0.09 -0.36 -0.25 0.00 0.43 0.00 0.00 52.55 52.29 2x25 s ASP 160 Cb 0.13 0.45 0.08 0.00 -0.30 0.00 0.00 42.92 43.28 2x25 s ASP 160 CO 0.82 -0.82 0.67 0.00 -0.17 0.00 0.00 175.17 175.67 2x25 n GLY 162 N -0.12 -1.07 3.42 0.00 0.00 -0.74 -4.65 105.19 102.03 2x25 n GLY 162 Ca -0.16 -0.88 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 2x25 n GLY 162 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2x25 s GLN 163 N -0.60 3.23 0.00 1.61 0.74 -1.26 -0.67 119.66 122.71 2x25 s GLN 163 Ca 0.00 -0.66 0.27 0.00 0.05 0.00 0.00 55.36 55.03 2x25 s GLN 163 Cb 0.00 -2.62 0.94 0.00 1.10 0.00 0.00 33.01 32.43 2x25 s GLN 163 CO 0.00 0.32 1.68 1.28 -0.55 0.00 0.00 175.29 178.02