#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1of4 s ARG 4 N 0.00 2.80 0.05 0.00 0.52 -1.26 -5.11 118.95 115.95 1of4 s ARG 4 Ca 0.00 -0.61 0.01 0.00 -0.52 0.00 0.00 55.73 54.61 1of4 s ARG 4 Cb 0.00 -2.68 -0.03 0.00 0.52 0.00 0.00 34.95 32.76 1of4 s ARG 4 CO 0.00 0.62 -0.06 0.71 0.02 0.00 0.00 175.30 176.59 1of4 s TYR 5 N -1.12 0.57 0.20 -0.53 1.51 -1.26 -2.33 117.35 114.39 1of4 s TYR 5 Ca 0.21 -0.65 0.11 0.00 -1.01 0.00 0.00 57.07 55.73 1of4 s TYR 5 Cb -0.12 -0.36 -0.04 0.00 -0.11 0.00 0.00 41.96 41.33 1of4 s TYR 5 CO 0.11 -0.16 -0.23 0.14 -1.11 0.00 0.00 175.55 174.30 1of4 s VAL 6 N -2.10 2.32 -0.04 0.71 -7.23 -0.15 -4.86 120.40 109.04 1of4 s VAL 6 Ca -0.06 -2.05 -0.30 0.00 -1.81 0.00 0.00 61.98 57.76 1of4 s VAL 6 Cb -0.05 -2.11 -0.05 0.00 0.56 0.00 0.00 36.38 34.73 1of4 s VAL 6 CO -0.02 -0.15 1.49 -0.22 -0.31 0.00 0.00 175.10 175.88 1of4 s LEU 7 N -2.73 4.30 -0.23 1.32 2.96 -1.26 -1.27 118.68 121.78 1of4 s LEU 7 Ca 0.21 2.11 -0.09 0.00 -0.22 0.00 0.00 54.13 56.14 1of4 s LEU 7 Cb -0.08 -3.55 -0.18 0.00 0.50 0.00 0.00 46.19 42.89 1of4 s LEU 7 CO 0.10 -0.81 -0.06 0.00 -1.32 0.00 0.00 176.35 174.26 1of4 n ALA 8 N 6.24 1.12 -3.00 5.97 0.00 0.61 -4.91 120.51 126.55 1of4 n ALA 8 Ca 0.15 -0.88 -0.11 0.00 0.00 0.00 0.00 53.44 52.60 1of4 n ALA 8 Cb 0.43 -0.24 -0.12 0.00 0.00 0.00 0.00 19.45 19.52 1of4 n ALA 8 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1of4 s GLU 9 N -2.49 0.27 -0.10 0.00 2.02 -0.95 -5.01 118.70 112.43 1of4 s GLU 9 Ca -0.32 -0.29 -0.07 0.00 0.02 0.00 0.00 54.97 54.31 1of4 s GLU 9 Cb 0.10 0.11 0.04 0.00 0.10 0.00 0.00 34.13 34.47 1of4 s GLU 9 CO 0.60 -0.05 0.24 -2.00 0.02 0.00 0.00 175.26 174.07 1of4 s GLU 10 N -0.87 0.24 -0.20 1.61 2.12 -1.26 -0.94 118.70 119.39 1of4 s GLU 10 Ca -0.10 0.44 0.01 0.00 0.36 0.00 0.00 54.97 55.68 1of4 s GLU 10 Cb -0.06 -0.00 0.04 0.00 0.26 0.00 0.00 34.13 34.37 1of4 s GLU 10 CO 0.00 -0.10 -0.11 0.08 -0.54 0.00 0.00 175.26 174.59 1of4 s VAL 11 N 0.74 1.73 -1.65 3.70 1.01 0.42 -4.97 120.40 121.38 1of4 s VAL 11 Ca -0.05 -1.07 0.15 0.00 0.00 0.00 0.00 61.98 61.01 1of4 s VAL 11 Cb -0.06 -1.79 0.05 0.00 0.00 0.00 0.00 36.38 34.58 1of4 s VAL 11 CO -0.04 0.17 0.90 0.47 0.00 0.00 0.00 175.10 176.60 1of4 n ASP 12 N 4.65 1.89 -3.48 3.32 8.00 -1.26 -1.42 116.55 128.26 1of4 n ASP 12 Ca -0.15 -1.45 -0.25 0.00 0.71 0.00 0.00 54.79 53.65 1of4 n ASP 12 Cb 0.46 0.26 0.05 0.00 -0.02 0.00 0.00 41.12 41.87 1of4 n ASP 12 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1of4 n PHE 13 N 0.31 -2.37 0.29 1.24 3.72 -1.26 -4.55 117.46 114.84 1of4 n PHE 13 Ca 0.08 0.79 0.17 0.00 -0.05 0.00 0.00 57.45 58.43 1of4 n PHE 13 Cb 0.35 -4.41 0.87 0.00 -0.94 0.00 0.00 39.48 35.35 1of4 n PHE 13 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1of4 h SER 14 N -1.99 0.00 -4.45 4.37 0.02 -1.80 -3.31 113.55 106.39 1of4 h SER 14 Ca -0.55 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.05 1of4 h SER 14 Cb 1.36 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.67 1of4 h SER 14 CO 0.59 0.05 -0.76 -0.55 -1.14 0.00 0.00 176.83 175.02 1of4 s SER 15 N -5.76 1.14 0.62 3.07 0.15 -1.26 -4.83 113.70 106.83 1of4 s SER 15 Ca -0.03 -0.45 0.34 0.00 0.70 0.00 0.00 55.95 56.51 1of4 s SER 15 Cb 0.12 -0.03 1.95 0.00 -1.71 0.00 0.00 66.02 66.35 1of4 s SER 15 CO 0.52 -0.07 2.23 1.55 1.20 0.00 0.00 173.24 178.67 1of4 h PRO 16 N 4.87 0.00 0.00 5.44 0.13 -1.99 -2.46 132.00 138.00 1of4 h PRO 16 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1of4 h PRO 16 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1of4 h PRO 16 CO 0.43 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.13 1of4 h GLU 17 N 0.00 0.00 0.00 0.86 4.39 -1.97 -2.09 114.58 115.77 1of4 h GLU 17 Ca 0.02 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.64 1of4 h GLU 17 Cb 0.16 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1of4 h GLU 17 CO -0.00 0.00 -0.37 1.49 -1.16 0.00 0.00 179.01 178.96 1of4 h GLU 18 N 0.00 0.00 0.00 2.33 4.57 -1.84 -3.22 114.58 116.42 1of4 h GLU 18 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1of4 h GLU 18 Cb 0.45 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1of4 h GLU 18 CO 0.00 0.37 -0.11 0.28 -1.18 0.00 0.00 179.01 178.38 1of4 h VAL 19 N 0.00 0.50 0.00 0.32 2.07 -1.55 -2.10 116.25 115.50 1of4 h VAL 19 Ca -0.00 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1of4 h VAL 19 Cb 0.76 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1of4 h VAL 19 CO 0.05 0.11 0.00 0.07 0.02 0.00 0.00 177.57 177.82 1of4 h LYS 20 N 0.00 0.00 0.00 1.57 2.10 -1.72 -1.51 116.57 117.00 1of4 h LYS 20 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1of4 h LYS 20 Cb 0.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 1of4 h LYS 20 CO 0.01 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.55 1of4 n ASN 21 N -2.48 0.00 -4.68 7.07 3.02 -0.79 -4.83 115.26 112.56 1of4 n ASN 21 Ca 0.01 0.35 -0.33 0.00 -0.03 0.00 0.00 54.58 54.58 1of4 n ASN 21 Cb 0.19 -0.45 -0.09 0.00 -0.61 0.00 0.00 39.78 38.83 1of4 n ASN 21 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1of4 s TRP 22 N -2.90 3.08 0.14 3.10 0.52 -0.57 -4.28 118.94 118.03 1of4 s TRP 22 Ca 0.17 0.09 0.03 0.00 0.02 0.00 0.00 56.10 56.40 1of4 s TRP 22 Cb 0.18 -1.68 -0.04 0.00 -1.15 0.00 0.00 33.47 30.78 1of4 s TRP 22 CO 0.49 0.46 -0.06 1.67 0.02 0.00 0.00 176.95 179.54 1of4 s TRP 23 N -1.07 1.12 -0.37 -1.98 -2.14 -0.26 -4.95 118.94 109.29 1of4 s TRP 23 Ca 0.19 -0.90 -0.28 0.00 2.66 0.00 0.00 56.10 57.78 1of4 s TRP 23 Cb -0.11 -0.62 0.02 0.00 -3.10 0.00 0.00 33.47 29.65 1of4 s TRP 23 CO 0.10 -0.09 1.02 1.21 -2.66 0.00 0.00 176.95 176.53 1of4 s ASN 24 N -3.13 6.76 0.00 -2.66 3.84 -1.26 -1.09 114.94 117.40 1of4 s ASN 24 Ca 0.17 0.73 0.22 0.00 0.21 0.00 0.00 52.86 54.19 1of4 s ASN 24 Cb 0.05 -2.51 0.24 0.00 -0.55 0.00 0.00 41.25 38.48 1of4 s ASN 24 CO -0.00 -0.94 1.24 -1.54 -2.79 0.00 0.00 177.10 173.07 1of4 n SER 25 N 7.02 2.98 0.00 -4.21 3.41 -0.69 -4.97 113.62 117.16 1of4 n SER 25 Ca 0.10 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.78 1of4 n SER 25 Cb 0.48 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 1of4 n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1of4 n GLY 26 N 1.27 0.86 3.20 5.00 0.00 -1.24 -4.95 105.19 109.34 1of4 n GLY 26 Ca 0.14 -2.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.00 1of4 n GLY 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1of4 s THR 27 N -1.15 0.06 -0.22 2.61 -4.23 -1.26 -1.53 115.64 109.91 1of4 s THR 27 Ca 0.00 -1.88 -0.04 0.00 -1.18 0.00 0.00 61.69 58.59 1of4 s THR 27 Cb 0.00 -2.20 0.11 0.00 1.34 0.00 0.00 72.50 71.74 1of4 s THR 27 CO 0.00 -0.26 0.28 0.86 -0.54 0.00 0.00 174.62 174.96 1of4 s TRP 28 N -4.08 -0.49 -1.68 3.99 -0.11 0.04 -4.91 118.94 111.71 1of4 s TRP 28 Ca 0.29 0.47 -0.01 0.00 1.22 0.00 0.00 56.10 58.07 1of4 s TRP 28 Cb 0.07 -0.21 0.00 0.00 -1.50 0.00 0.00 33.47 31.83 1of4 s TRP 28 CO 0.06 -0.64 0.09 1.04 -4.62 0.00 0.00 176.95 172.87 1of4 n GLN 29 N 5.34 -2.19 -3.93 5.86 6.02 -1.26 -0.71 117.38 126.50 1of4 n GLN 29 Ca -0.05 0.95 -0.09 0.00 -0.01 0.00 0.00 57.00 57.80 1of4 n GLN 29 Cb 0.50 -5.64 -0.02 0.00 1.02 0.00 0.00 30.24 26.09 1of4 n GLN 29 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1of4 s ALA 30 N -3.02 -0.47 0.02 -1.58 0.00 -1.26 -4.54 121.76 110.91 1of4 s ALA 30 Ca 0.05 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.23 1of4 s ALA 30 Cb -0.02 0.93 -0.02 0.00 0.00 0.00 0.00 23.12 24.02 1of4 s ALA 30 CO 0.06 -0.93 -0.05 -2.00 0.00 0.00 0.00 175.76 172.84 1of4 s GLU 31 N -3.46 0.38 0.21 0.00 2.12 -0.84 -4.84 118.70 112.27 1of4 s GLU 31 Ca 0.19 -0.57 -0.14 0.00 0.36 0.00 0.00 54.97 54.81 1of4 s GLU 31 Cb -0.03 -0.11 -0.08 0.00 0.26 0.00 0.00 34.13 34.17 1of4 s GLU 31 CO 0.11 0.01 0.61 -0.06 -0.54 0.00 0.00 175.26 175.39 1of4 s PHE 32 N -1.15 3.52 0.00 5.30 0.08 -1.26 -0.72 117.98 123.74 1of4 s PHE 32 Ca -0.10 1.10 0.00 0.00 0.12 0.00 0.00 56.93 58.04 1of4 s PHE 32 Cb -0.08 -2.41 0.00 0.00 -0.57 0.00 0.00 43.02 39.95 1of4 s PHE 32 CO -0.00 0.31 0.00 0.41 -0.10 0.00 0.00 175.22 175.83 1of4 n GLY 33 N 0.32 -0.65 2.74 4.36 0.00 0.38 -4.87 105.19 107.46 1of4 n GLY 33 Ca -0.02 -1.69 -0.26 0.00 0.00 0.00 0.00 46.02 44.05 1of4 n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1of4 s SER 34 N -1.00 2.52 0.51 1.61 0.15 -1.26 -2.39 113.70 113.84 1of4 s SER 34 Ca 0.00 -0.61 -0.20 0.00 0.70 0.00 0.00 55.95 55.84 1of4 s SER 34 Cb 0.00 -0.54 -0.07 0.00 -1.71 0.00 0.00 66.02 63.70 1of4 s SER 34 CO 0.00 -0.28 1.09 -2.16 1.20 0.00 0.00 173.24 173.10 1of4 s PRO 35 N 1.90 3.58 0.03 5.44 0.05 -1.26 -5.11 135.00 139.62 1of4 s PRO 35 Ca 0.01 1.52 -0.21 0.00 0.05 0.00 0.00 61.00 62.36 1of4 s PRO 35 Cb -0.16 -2.07 -0.16 0.00 0.05 0.00 0.00 34.50 32.16 1of4 s PRO 35 CO -0.07 -0.65 1.33 0.38 0.05 0.00 0.00 177.00 178.04 1of4 h ASP 36 N 1.42 0.31 -3.65 6.66 3.04 -1.79 -3.39 116.42 119.02 1of4 h ASP 36 Ca -0.50 -0.49 -0.34 0.00 -3.24 0.00 0.00 57.03 52.47 1of4 h ASP 36 Cb 1.24 -0.09 -0.32 0.00 -1.04 0.00 0.00 39.33 39.13 1of4 h ASP 36 CO 0.58 0.73 -0.75 -0.63 -2.04 0.00 0.00 179.24 177.13 1of4 s ILE 37 N -4.28 0.30 0.17 4.15 1.01 -1.26 -1.30 121.20 119.99 1of4 s ILE 37 Ca -0.14 -0.06 -0.14 0.00 0.00 0.00 0.00 60.65 60.31 1of4 s ILE 37 Cb 0.04 -0.32 0.01 0.00 0.01 0.00 0.00 42.46 42.21 1of4 s ILE 37 CO 0.74 0.14 0.40 -1.83 0.00 0.00 0.00 174.94 174.38 1of4 s GLU 38 N 0.53 1.23 0.37 2.79 -1.05 -0.40 -5.00 118.70 117.16 1of4 s GLU 38 Ca -0.06 -0.97 -0.25 0.00 -0.15 0.00 0.00 54.97 53.54 1of4 s GLU 38 Cb -0.09 0.45 -0.09 0.00 -0.44 0.00 0.00 34.13 33.96 1of4 s GLU 38 CO -0.01 -0.49 1.04 -0.46 0.95 0.00 0.00 175.26 176.29 1of4 s TRP 39 N -3.90 3.40 -0.12 4.83 -0.00 -1.26 -0.79 118.94 121.09 1of4 s TRP 39 Ca 0.11 1.68 0.00 0.00 -0.00 0.00 0.00 56.10 57.89 1of4 s TRP 39 Cb 0.01 -3.11 0.02 0.00 -0.00 0.00 0.00 33.47 30.40 1of4 s TRP 39 CO -0.03 -0.45 -0.10 1.21 -0.00 0.00 0.00 176.95 177.58 1of4 s ASN 40 N -1.48 2.28 0.00 5.86 3.84 -0.66 -4.85 114.94 119.94 1of4 s ASN 40 Ca 0.54 -0.36 0.26 0.00 0.21 0.00 0.00 52.86 53.52 1of4 s ASN 40 Cb -0.23 -0.94 0.68 0.00 -0.55 0.00 0.00 41.25 40.21 1of4 s ASN 40 CO 0.29 -0.08 1.52 0.61 -2.79 0.00 0.00 177.10 176.64 1of4 n GLY 41 N 4.74 -0.68 0.11 1.21 0.00 -1.26 -0.89 105.19 108.42 1of4 n GLY 41 Ca -0.15 -0.41 -0.22 0.00 0.00 0.00 0.00 46.02 45.24 1of4 n GLY 41 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1of4 n GLU 42 N -0.76 0.59 -2.17 1.61 1.02 -1.26 -3.55 120.64 116.12 1of4 n GLU 42 Ca 0.11 0.52 -0.42 0.00 -0.02 0.00 0.00 57.16 57.35 1of4 n GLU 42 Cb 0.35 -1.72 -0.03 0.00 -0.02 0.00 0.00 31.44 30.02 1of4 n GLU 42 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1of4 s VAL 43 N -2.40 3.41 -1.60 2.62 1.01 -1.26 -2.72 120.40 119.47 1of4 s VAL 43 Ca -0.29 0.95 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1of4 s VAL 43 Cb 0.07 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1of4 s VAL 43 CO 0.60 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.36 1of4 n GLY 44 N 3.58 0.76 4.24 4.51 0.00 -1.26 -1.06 105.19 115.96 1of4 n GLY 44 Ca 0.12 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 1of4 n GLY 44 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1of4 n ASN 45 N -0.89 -1.81 0.00 1.61 6.94 -1.10 -4.61 115.26 115.40 1of4 n ASN 45 Ca -0.18 -1.09 0.00 0.00 -0.02 0.00 0.00 54.58 53.29 1of4 n ASN 45 Cb 0.59 -2.45 0.00 0.00 -2.36 0.00 0.00 39.78 35.56 1of4 n ASN 45 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1of4 n GLY 46 N -1.64 2.53 3.31 4.83 0.00 -0.22 -4.57 105.19 109.44 1of4 n GLY 46 Ca -0.06 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 1of4 n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1of4 s ALA 47 N 0.00 -0.90 -0.25 4.61 0.00 -0.07 -4.51 121.76 120.64 1of4 s ALA 47 Ca 0.00 -0.06 -0.25 0.00 0.00 0.00 0.00 51.96 51.65 1of4 s ALA 47 Cb 0.00 0.67 -0.00 0.00 0.00 0.00 0.00 23.12 23.79 1of4 s ALA 47 CO 0.00 -0.63 0.85 -1.17 0.00 0.00 0.00 175.76 174.81 1of4 s LEU 48 N -2.78 4.08 -0.28 0.00 2.96 -0.71 -1.65 118.68 120.30 1of4 s LEU 48 Ca 0.03 1.01 -0.11 0.00 -0.22 0.00 0.00 54.13 54.84 1of4 s LEU 48 Cb 0.02 -3.22 -0.05 0.00 0.50 0.00 0.00 46.19 43.44 1of4 s LEU 48 CO -0.12 -0.56 0.21 -1.58 -1.32 0.00 0.00 176.35 172.98 1of4 s GLN 49 N 2.93 3.92 -0.24 1.98 0.74 0.03 -0.97 119.66 128.05 1of4 s GLN 49 Ca 0.36 -0.31 -0.09 0.00 0.05 0.00 0.00 55.36 55.36 1of4 s GLN 49 Cb -0.15 -3.67 -0.04 0.00 1.10 0.00 0.00 33.01 30.25 1of4 s GLN 49 CO 0.08 -0.21 0.13 -0.51 -0.55 0.00 0.00 175.29 174.23 1of4 s LEU 50 N 1.79 3.88 -0.39 3.68 1.02 0.08 -1.28 118.68 127.46 1of4 s LEU 50 Ca 0.08 0.01 -0.16 0.00 0.02 0.00 0.00 54.13 54.07 1of4 s LEU 50 Cb -0.16 -2.04 0.01 0.00 0.02 0.00 0.00 46.19 44.02 1of4 s LEU 50 CO 0.11 0.04 0.40 0.20 0.02 0.00 0.00 176.35 177.12 1of4 s ASN 51 N 1.19 6.19 0.27 2.29 0.01 -0.42 -0.85 114.94 123.62 1of4 s ASN 51 Ca 0.06 -0.52 0.11 0.00 -0.71 0.00 0.00 52.86 51.80 1of4 s ASN 51 Cb -0.14 -2.21 -0.05 0.00 0.41 0.00 0.00 41.25 39.26 1of4 s ASN 51 CO 0.05 -0.49 -0.17 0.68 -1.51 0.00 0.00 177.10 175.66 1of4 s VAL 52 N 2.08 2.25 -0.23 1.60 -7.23 -0.51 -0.47 120.40 117.89 1of4 s VAL 52 Ca 0.12 -2.33 -0.04 0.00 -1.81 0.00 0.00 61.98 57.92 1of4 s VAL 52 Cb -0.17 -2.28 0.08 0.00 0.56 0.00 0.00 36.38 34.57 1of4 s VAL 52 CO 0.13 -0.42 0.09 -0.54 -0.31 0.00 0.00 175.10 174.05 1of4 s LYS 53 N -3.56 0.28 -0.23 4.82 1.02 0.10 -1.81 119.74 120.35 1of4 s LYS 53 Ca 0.28 -0.40 -0.06 0.00 0.02 0.00 0.00 55.97 55.81 1of4 s LYS 53 Cb -0.03 -1.66 -0.02 0.00 -0.52 0.00 0.00 37.83 35.59 1of4 s LYS 53 CO 0.13 -0.82 0.03 -0.51 -0.92 0.00 0.00 175.35 173.26 1of4 s LEU 54 N 2.02 3.29 0.46 3.17 1.43 0.40 -1.98 118.68 127.46 1of4 s LEU 54 Ca 0.05 -0.24 0.24 0.00 -1.03 0.00 0.00 54.13 53.14 1of4 s LEU 54 Cb -0.16 -1.87 1.06 0.00 0.03 0.00 0.00 46.19 45.25 1of4 s LEU 54 CO -0.20 -0.01 1.90 1.55 0.23 0.00 0.00 176.35 179.81 1of4 h PRO 55 N 8.07 0.00 -1.03 1.29 0.13 -1.82 -1.58 132.00 137.05 1of4 h PRO 55 Ca -0.39 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.57 1of4 h PRO 55 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1of4 h PRO 55 CO 0.59 0.22 -0.20 0.41 -0.23 0.00 0.00 178.00 178.79 1of4 n GLY 56 N -0.15 0.24 0.05 1.56 0.00 -1.25 -4.55 105.19 101.09 1of4 n GLY 56 Ca -0.01 -0.56 0.11 0.00 0.00 0.00 0.00 46.02 45.56 1of4 n GLY 56 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1of4 n LYS 57 N -2.02 0.64 -4.51 1.61 2.85 -1.26 -4.31 118.16 111.16 1of4 n LYS 57 Ca -0.10 -0.09 -0.25 0.00 -1.05 0.00 0.00 58.31 56.82 1of4 n LYS 57 Cb 0.51 -1.62 -0.08 0.00 -0.65 0.00 0.00 35.03 33.19 1of4 n LYS 57 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1of4 s SER 58 N -4.83 2.77 0.04 -5.58 1.04 -1.26 -4.91 113.70 100.96 1of4 s SER 58 Ca -0.06 -1.68 0.27 0.00 0.48 0.00 0.00 55.95 54.96 1of4 s SER 58 Cb 0.12 0.52 0.84 0.00 0.10 0.00 0.00 66.02 67.60 1of4 s SER 58 CO 0.87 -0.94 1.67 -0.90 0.98 0.00 0.00 173.24 174.92 1of4 n ASP 59 N -1.33 0.35 -3.42 7.02 5.75 -1.26 -1.46 116.55 122.20 1of4 n ASP 59 Ca -0.06 0.22 -0.20 0.00 -0.01 0.00 0.00 54.79 54.74 1of4 n ASP 59 Cb 0.65 -0.21 -0.10 0.00 -1.03 0.00 0.00 41.12 40.42 1of4 n ASP 59 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1of4 s TRP 60 N -3.03 -0.17 -0.27 2.11 -0.11 -1.23 -4.27 118.94 111.97 1of4 s TRP 60 Ca 0.12 -0.58 0.01 0.00 1.22 0.00 0.00 56.10 56.87 1of4 s TRP 60 Cb 0.17 -0.58 0.07 0.00 -1.50 0.00 0.00 33.47 31.64 1of4 s TRP 60 CO 0.62 -0.91 -0.01 -1.21 -4.62 0.00 0.00 176.95 170.82 1of4 s GLU 61 N 1.99 1.49 -0.06 5.86 2.02 0.30 -4.64 118.70 125.67 1of4 s GLU 61 Ca 0.12 -1.19 0.05 0.00 0.02 0.00 0.00 54.97 53.97 1of4 s GLU 61 Cb -0.15 -2.64 -0.01 0.00 0.10 0.00 0.00 34.13 31.43 1of4 s GLU 61 CO -0.24 -0.72 -0.23 -2.00 0.02 0.00 0.00 175.26 172.09 1of4 s GLU 62 N 1.32 2.60 0.09 1.61 2.12 0.11 -0.15 118.70 126.39 1of4 s GLU 62 Ca -0.00 -0.86 0.08 0.00 0.36 0.00 0.00 54.97 54.55 1of4 s GLU 62 Cb -0.19 -2.22 -0.03 0.00 0.26 0.00 0.00 34.13 31.95 1of4 s GLU 62 CO -0.09 0.41 -0.22 0.14 -0.54 0.00 0.00 175.26 174.95 1of4 s VAL 63 N -0.21 1.79 -0.01 3.70 -7.23 -0.47 -0.78 120.40 117.20 1of4 s VAL 63 Ca -0.02 -1.48 0.01 0.00 -1.81 0.00 0.00 61.98 58.69 1of4 s VAL 63 Cb -0.13 -1.60 0.00 0.00 0.56 0.00 0.00 36.38 35.21 1of4 s VAL 63 CO 0.03 0.04 -0.05 -0.60 -0.31 0.00 0.00 175.10 174.22 1of4 s ARG 64 N -1.72 0.49 0.18 4.82 3.52 -0.58 -1.30 118.95 124.36 1of4 s ARG 64 Ca 0.08 -0.16 0.08 0.00 -0.13 0.00 0.00 55.73 55.60 1of4 s ARG 64 Cb -0.10 -0.49 -0.04 0.00 -1.56 0.00 0.00 34.95 32.76 1of4 s ARG 64 CO 0.04 0.07 -0.17 0.14 -0.81 0.00 0.00 175.30 174.57 1of4 s VAL 65 N 0.13 1.77 0.06 7.11 -7.23 -0.76 -1.70 120.40 119.78 1of4 s VAL 65 Ca -0.01 -2.02 -0.07 0.00 -1.81 0.00 0.00 61.98 58.07 1of4 s VAL 65 Cb -0.05 -1.90 -0.01 0.00 0.56 0.00 0.00 36.38 34.98 1of4 s VAL 65 CO -0.00 -0.42 0.13 0.00 -0.31 0.00 0.00 175.10 174.50 1of4 s ALA 66 N -2.39 -0.10 -0.03 1.32 0.00 -0.25 0.09 121.76 120.40 1of4 s ALA 66 Ca 0.18 -0.62 -0.09 0.00 0.00 0.00 0.00 51.96 51.42 1of4 s ALA 66 Cb -0.04 0.35 0.01 0.00 0.00 0.00 0.00 23.12 23.44 1of4 s ALA 66 CO 0.07 -0.41 0.21 0.50 0.00 0.00 0.00 175.76 176.13 1of4 s ARG 67 N -3.28 0.47 0.31 0.00 3.52 -0.42 -1.10 118.95 118.46 1of4 s ARG 67 Ca 0.01 -0.15 -0.27 0.00 -0.13 0.00 0.00 55.73 55.19 1of4 s ARG 67 Cb 0.03 0.21 -0.10 0.00 -1.56 0.00 0.00 34.95 33.53 1of4 s ARG 67 CO -0.08 -0.11 0.95 0.15 -0.81 0.00 0.00 175.30 175.40 1of4 s LYS 68 N -0.97 4.61 -0.15 5.12 1.02 -1.26 -1.11 119.74 127.00 1of4 s LYS 68 Ca -0.10 1.37 -0.03 0.00 0.02 0.00 0.00 55.97 57.23 1of4 s LYS 68 Cb -0.05 -2.87 0.05 0.00 -0.52 0.00 0.00 37.83 34.44 1of4 s LYS 68 CO 0.02 0.30 0.04 -0.06 -0.92 0.00 0.00 175.35 174.73 1of4 s PHE 69 N -1.54 0.66 0.52 3.18 0.08 -0.52 -4.93 117.98 115.42 1of4 s PHE 69 Ca 0.49 -0.47 0.22 0.00 0.12 0.00 0.00 56.93 57.29 1of4 s PHE 69 Cb -0.20 -0.85 1.45 0.00 -0.57 0.00 0.00 43.02 42.85 1of4 s PHE 69 CO 0.25 -0.49 2.15 1.05 -0.10 0.00 0.00 175.22 178.09 1of4 h GLU 70 N 8.32 0.00 -0.71 0.44 4.11 -1.95 -2.32 114.58 122.47 1of4 h GLU 70 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.27 1of4 h GLU 70 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1of4 h GLU 70 CO 0.29 0.05 0.00 0.54 0.07 0.00 0.00 179.01 179.96 1of4 n ARG 71 N -4.12 2.70 -0.15 1.06 1.74 -1.26 -4.59 116.66 112.03 1of4 n ARG 71 Ca -0.03 -2.56 0.09 0.00 -0.77 0.00 0.00 57.85 54.59 1of4 n ARG 71 Cb 0.14 -1.57 0.41 0.00 -1.02 0.00 0.00 32.46 30.42 1of4 n ARG 71 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1of4 h LEU 72 N 4.13 0.55 0.00 0.55 5.85 -1.67 0.58 115.31 125.30 1of4 h LEU 72 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1of4 h LEU 72 Cb 0.97 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.90 1of4 h LEU 72 CO 0.01 0.34 0.00 -1.54 -0.34 0.00 0.00 178.44 176.91 1of4 n SER 73 N -4.49 0.00 -0.19 1.25 3.41 -1.25 -2.05 113.62 110.30 1of4 n SER 73 Ca 0.11 0.45 0.11 0.00 -0.26 0.00 0.00 58.87 59.28 1of4 n SER 73 Cb 0.31 -0.48 -0.04 0.00 -0.26 0.00 0.00 64.21 63.74 1of4 n SER 73 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1of4 n GLU 74 N -1.48 0.48 -3.28 4.33 1.02 0.19 -3.49 120.64 118.41 1of4 n GLU 74 Ca 0.04 -0.39 -0.26 0.00 -0.02 0.00 0.00 57.16 56.53 1of4 n GLU 74 Cb 0.16 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.07 1of4 n GLU 74 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1of4 n GLU 76 N -1.49 1.53 -3.92 0.00 1.02 -0.30 -3.96 120.64 113.51 1of4 n GLU 76 Ca -0.03 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.95 1of4 n GLU 76 Cb 0.55 -0.14 -0.15 0.00 -0.02 0.00 0.00 31.44 31.68 1of4 n GLU 76 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1of4 s ILE 77 N -0.13 0.13 -0.06 -3.67 1.01 -1.16 -0.94 121.20 116.39 1of4 s ILE 77 Ca 0.00 0.05 0.05 0.00 0.00 0.00 0.00 60.65 60.75 1of4 s ILE 77 Cb 0.00 -0.20 -0.02 0.00 0.01 0.00 0.00 42.46 42.25 1of4 s ILE 77 CO 0.00 0.10 -0.20 -0.22 0.00 0.00 0.00 174.94 174.62 1of4 s LEU 78 N 0.69 2.37 0.03 2.97 2.96 -0.13 -1.07 118.68 126.50 1of4 s LEU 78 Ca -0.07 -0.37 0.03 0.00 -0.22 0.00 0.00 54.13 53.51 1of4 s LEU 78 Cb -0.10 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.12 1of4 s LEU 78 CO -0.01 0.29 -0.11 -1.61 -1.32 0.00 0.00 176.35 173.59 1of4 s GLU 79 N -0.39 0.72 0.22 1.98 2.02 -0.27 -0.54 118.70 122.43 1of4 s GLU 79 Ca 0.03 -0.64 -0.19 0.00 0.02 0.00 0.00 54.97 54.19 1of4 s GLU 79 Cb -0.12 -0.65 0.03 0.00 0.10 0.00 0.00 34.13 33.49 1of4 s GLU 79 CO 0.02 0.16 0.59 1.52 0.02 0.00 0.00 175.26 177.56 1of4 s TYR 80 N -0.85 -0.16 0.03 1.61 -0.85 -0.36 -0.63 117.35 116.13 1of4 s TYR 80 Ca -0.02 -0.19 0.06 0.00 -0.52 0.00 0.00 57.07 56.40 1of4 s TYR 80 Cb -0.07 0.49 -0.03 0.00 0.38 0.00 0.00 41.96 42.72 1of4 s TYR 80 CO 0.01 -1.00 -0.15 -0.51 -1.52 0.00 0.00 175.55 172.37 1of4 s ASP 81 N -2.88 3.98 -0.09 -0.18 1.01 -0.44 -0.58 116.67 117.49 1of4 s ASP 81 Ca 0.10 -0.36 0.04 0.00 0.71 0.00 0.00 52.55 53.03 1of4 s ASP 81 Cb -0.02 -0.72 -0.01 0.00 1.01 0.00 0.00 42.92 43.18 1of4 s ASP 81 CO -0.01 0.26 -0.21 -0.63 0.21 0.00 0.00 175.17 174.79 1of4 s ILE 82 N -0.94 2.34 -0.06 0.77 1.01 0.03 -1.58 121.20 122.77 1of4 s ILE 82 Ca 0.15 -0.94 0.06 0.00 0.00 0.00 0.00 60.65 59.92 1of4 s ILE 82 Cb -0.11 -1.90 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 1of4 s ILE 82 CO 0.06 0.56 -0.23 -0.31 0.00 0.00 0.00 174.94 175.02 1of4 s TYR 83 N 0.08 2.49 -0.08 3.97 2.02 -0.05 -1.01 117.35 124.77 1of4 s TYR 83 Ca -0.10 -0.62 0.02 0.00 -0.37 0.00 0.00 57.07 56.00 1of4 s TYR 83 Cb -0.16 -1.61 0.01 0.00 -0.40 0.00 0.00 41.96 39.81 1of4 s TYR 83 CO 0.06 -0.15 -0.13 0.42 -1.57 0.00 0.00 175.55 174.17 1of4 s ILE 84 N -0.23 1.25 0.21 2.71 1.01 -0.62 -0.82 121.20 124.71 1of4 s ILE 84 Ca -0.01 -0.53 -0.30 0.00 0.00 0.00 0.00 60.65 59.81 1of4 s ILE 84 Cb -0.13 -1.15 -0.16 0.00 0.01 0.00 0.00 42.46 41.03 1of4 s ILE 84 CO 0.03 0.39 0.90 -2.65 0.00 0.00 0.00 174.94 173.61 1of4 n PRO 85 N 3.94 0.78 -1.23 2.79 -0.02 -1.26 -0.43 135.00 139.57 1of4 n PRO 85 Ca -0.21 0.27 -0.30 0.00 -2.02 0.00 0.00 63.50 61.24 1of4 n PRO 85 Cb 0.52 -1.57 -0.07 0.00 -0.02 0.00 0.00 33.50 32.35 1of4 n PRO 85 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1of4 n ASN 86 N 1.70 7.64 -4.74 2.55 5.15 -0.53 -4.60 115.26 122.43 1of4 n ASN 86 Ca 0.14 -2.56 -0.41 0.00 -0.60 0.00 0.00 54.58 51.16 1of4 n ASN 86 Cb 0.26 -1.51 -0.04 0.00 -0.53 0.00 0.00 39.78 37.96 1of4 n ASN 86 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1of4 s VAL 87 N 1.71 3.57 0.33 3.44 -7.23 -1.26 -4.98 120.40 115.98 1of4 s VAL 87 Ca 0.69 1.38 -0.29 0.00 -1.81 0.00 0.00 61.98 61.95 1of4 s VAL 87 Cb 0.23 -3.88 -0.10 0.00 0.56 0.00 0.00 36.38 33.18 1of4 s VAL 87 CO -0.04 0.25 1.34 -1.61 -0.31 0.00 0.00 175.10 174.73 1of4 s GLU 88 N -0.54 4.31 0.00 4.82 2.02 -1.26 -3.57 118.70 124.48 1of4 s GLU 88 Ca 0.51 2.27 0.00 0.00 0.02 0.00 0.00 54.97 57.77 1of4 s GLU 88 Cb -0.32 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 30.85 1of4 s GLU 88 CO 0.38 -0.25 0.00 0.41 0.02 0.00 0.00 175.26 175.82 1of4 n GLY 89 N 0.83 0.22 3.74 -1.39 0.00 -1.26 -5.04 105.19 102.29 1of4 n GLY 89 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1of4 n GLY 89 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1of4 s LEU 90 N 0.00 4.35 0.10 0.99 2.96 -1.23 -5.01 118.68 120.84 1of4 s LEU 90 Ca 0.00 2.89 0.05 0.00 -0.22 0.00 0.00 54.13 56.86 1of4 s LEU 90 Cb 0.00 -3.63 -0.03 0.00 0.50 0.00 0.00 46.19 43.03 1of4 s LEU 90 CO 0.00 -0.90 -0.14 -0.54 -1.32 0.00 0.00 176.35 173.45 1of4 s LYS 91 N -0.10 0.93 0.00 1.98 1.02 -1.26 -4.59 119.74 117.71 1of4 s LYS 91 Ca 0.65 -1.13 0.00 0.00 0.02 0.00 0.00 55.97 55.51 1of4 s LYS 91 Cb -0.47 -0.83 0.00 0.00 -0.52 0.00 0.00 37.83 36.00 1of4 s LYS 91 CO 0.44 0.17 0.00 0.41 -0.92 0.00 0.00 175.35 175.44 1of4 n GLY 92 N 0.80 0.33 3.16 -3.33 0.00 -1.25 -3.96 105.19 100.94 1of4 n GLY 92 Ca -0.18 -2.27 -0.22 0.00 0.00 0.00 0.00 46.02 43.36 1of4 n GLY 92 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1of4 s ARG 93 N -0.20 1.07 -0.11 1.61 3.52 -0.60 -0.92 118.95 123.32 1of4 s ARG 93 Ca 0.00 -0.74 -0.05 0.00 -0.13 0.00 0.00 55.73 54.81 1of4 s ARG 93 Cb 0.00 -1.09 -0.04 0.00 -1.56 0.00 0.00 34.95 32.26 1of4 s ARG 93 CO 0.00 0.28 0.10 -1.17 -0.81 0.00 0.00 175.30 173.70 1of4 s LEU 94 N -0.96 4.15 -0.46 -0.88 2.96 0.24 -0.75 118.68 122.97 1of4 s LEU 94 Ca 0.04 0.37 0.09 0.00 -0.22 0.00 0.00 54.13 54.41 1of4 s LEU 94 Cb -0.07 -2.00 0.37 0.00 0.50 0.00 0.00 46.19 44.99 1of4 s LEU 94 CO 0.01 0.40 0.91 0.54 -1.32 0.00 0.00 176.35 176.89 1of4 n ARG 95 N 2.02 2.32 -2.27 1.98 1.74 0.33 -1.45 116.66 121.33 1of4 n ARG 95 Ca -0.20 -4.16 -0.37 0.00 -0.77 0.00 0.00 57.85 52.36 1of4 n ARG 95 Cb 0.55 -1.96 -0.01 0.00 -1.02 0.00 0.00 32.46 30.02 1of4 n ARG 95 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1of4 s PRO 96 N -3.12 3.76 0.00 5.56 0.04 -1.26 -4.39 135.00 135.59 1of4 s PRO 96 Ca 0.43 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.23 1of4 s PRO 96 Cb 0.34 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1of4 s PRO 96 CO -0.11 -0.55 0.00 2.48 0.04 0.00 0.00 177.00 178.87 1of4 n TYR 97 N -0.51 -0.10 -3.97 0.56 4.11 -0.60 -4.50 117.16 112.15 1of4 n TYR 97 Ca 0.07 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.89 1of4 n TYR 97 Cb 0.48 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.78 1of4 n TYR 97 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1of4 s ALA 98 N -1.48 -0.43 -0.01 -3.48 0.00 -0.99 -1.76 121.76 113.60 1of4 s ALA 98 Ca 0.00 -0.77 -0.00 0.00 0.00 0.00 0.00 51.96 51.18 1of4 s ALA 98 Cb 0.00 1.02 0.01 0.00 0.00 0.00 0.00 23.12 24.15 1of4 s ALA 98 CO 0.00 -0.89 0.02 0.08 0.00 0.00 0.00 175.76 174.96 1of4 s VAL 99 N -3.96 -0.01 -0.08 0.00 1.01 0.45 -0.76 120.40 117.06 1of4 s VAL 99 Ca 0.20 0.04 -0.05 0.00 0.00 0.00 0.00 61.98 62.17 1of4 s VAL 99 Cb -0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 36.38 36.28 1of4 s VAL 99 CO 0.09 0.02 0.15 -0.76 0.00 0.00 0.00 175.10 174.59 1of4 s LEU 100 N 0.19 4.34 -0.01 3.92 1.43 -0.18 -0.90 118.68 127.48 1of4 s LEU 100 Ca -0.02 0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 53.37 1of4 s LEU 100 Cb -0.02 -2.26 0.02 0.00 0.03 0.00 0.00 46.19 43.95 1of4 s LEU 100 CO -0.01 0.35 0.25 0.21 0.23 0.00 0.00 176.35 177.39 1of4 s ASN 101 N -1.37 -0.11 0.83 2.29 2.47 -0.70 -0.62 114.94 117.73 1of4 s ASN 101 Ca 0.20 -0.02 -0.15 0.00 0.42 0.00 0.00 52.86 53.31 1of4 s ASN 101 Cb -0.12 0.27 -0.01 0.00 -1.45 0.00 0.00 41.25 39.94 1of4 s ASN 101 CO 0.09 -0.42 0.40 -2.65 -3.72 0.00 0.00 177.10 170.80 1of4 n PRO 102 N 1.33 0.03 0.00 0.43 -0.02 -1.26 -0.65 135.00 134.86 1of4 n PRO 102 Ca -0.22 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1of4 n PRO 102 Cb 0.56 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 1of4 n PRO 102 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1of4 n GLY 103 N 1.70 1.33 4.07 -1.23 0.00 -1.26 -4.62 105.19 105.17 1of4 n GLY 103 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1of4 n GLY 103 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1of4 n TRP 104 N -1.36 -1.44 -2.96 1.61 -0.00 -1.12 -4.87 117.44 107.31 1of4 n TRP 104 Ca 0.00 0.22 -0.43 0.00 -0.00 0.00 0.00 57.50 57.29 1of4 n TRP 104 Cb 0.00 -2.90 -0.05 0.00 -0.00 0.00 0.00 31.31 28.36 1of4 n TRP 104 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 1of4 s VAL 105 N -3.67 4.55 0.01 5.87 1.01 0.20 -4.91 120.40 123.47 1of4 s VAL 105 Ca 0.40 -0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.87 1of4 s VAL 105 Cb -0.21 -4.50 -0.04 0.00 0.00 0.00 0.00 36.38 31.63 1of4 s VAL 105 CO 0.96 -1.10 1.10 -0.54 0.00 0.00 0.00 175.10 175.52 1of4 s LYS 106 N 3.48 4.47 0.09 2.72 1.02 -1.26 -1.01 119.74 129.24 1of4 s LYS 106 Ca 0.22 1.60 0.08 0.00 0.02 0.00 0.00 55.97 57.89 1of4 s LYS 106 Cb -0.17 -3.44 -0.03 0.00 -0.52 0.00 0.00 37.83 33.68 1of4 s LYS 106 CO 0.14 -0.22 -0.22 0.96 -0.92 0.00 0.00 175.35 175.09 1of4 s ILE 107 N 1.30 1.78 -1.25 2.17 -4.36 0.06 -4.79 121.20 116.10 1of4 s ILE 107 Ca 0.55 -1.49 0.00 0.00 -0.26 0.00 0.00 60.65 59.45 1of4 s ILE 107 Cb -0.25 -1.59 0.00 0.00 1.25 0.00 0.00 42.46 41.87 1of4 s ILE 107 CO 0.27 0.03 0.00 0.61 0.24 0.00 0.00 174.94 176.09 1of4 n GLY 108 N 1.26 1.17 3.69 6.27 0.00 -1.26 -2.36 105.19 113.96 1of4 n GLY 108 Ca -0.19 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 1of4 n GLY 108 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1of4 s LEU 109 N -2.79 4.41 -1.88 0.99 1.43 -1.26 -1.65 118.68 117.93 1of4 s LEU 109 Ca 0.00 2.74 0.00 0.00 -1.03 0.00 0.00 54.13 55.84 1of4 s LEU 109 Cb 0.00 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.66 1of4 s LEU 109 CO 0.00 -1.01 0.00 0.47 0.23 0.00 0.00 176.35 176.04 1of4 n ASP 110 N 6.03 -5.43 0.05 2.29 8.00 -1.26 -4.88 116.55 121.35 1of4 n ASP 110 Ca 0.18 0.26 0.11 0.00 0.71 0.00 0.00 54.79 56.05 1of4 n ASP 110 Cb 0.39 -4.56 0.00 0.00 -0.02 0.00 0.00 41.12 36.93 1of4 n ASP 110 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1of4 n MET 111 N -2.63 0.45 -2.06 -1.24 2.81 -0.66 -4.43 117.12 109.36 1of4 n MET 111 Ca -0.21 0.02 -0.06 0.00 -1.81 0.00 0.00 57.70 55.64 1of4 n MET 111 Cb 0.65 -1.67 0.06 0.00 -0.71 0.00 0.00 33.22 31.55 1of4 n MET 111 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1of4 n ASN 112 N -2.25 2.49 -4.77 7.83 3.02 -1.26 -4.98 115.26 115.33 1of4 n ASN 112 Ca 0.01 -2.78 -0.38 0.00 -0.03 0.00 0.00 54.58 51.40 1of4 n ASN 112 Cb 0.49 -0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 39.22 1of4 n ASN 112 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1of4 s ASN 113 N -3.35 6.67 -0.13 6.41 0.01 -1.26 -4.51 114.94 118.77 1of4 s ASN 113 Ca 0.37 2.22 -0.07 0.00 -0.71 0.00 0.00 52.86 54.67 1of4 s ASN 113 Cb 0.37 -2.60 0.05 0.00 0.41 0.00 0.00 41.25 39.48 1of4 s ASN 113 CO -0.04 -0.56 0.31 0.00 -1.51 0.00 0.00 177.10 175.30 1of4 s ALA 114 N -1.49 -0.76 0.08 0.60 0.00 -0.53 -4.99 121.76 114.68 1of4 s ALA 114 Ca 0.56 1.21 -0.30 0.00 0.00 0.00 0.00 51.96 53.44 1of4 s ALA 114 Cb -0.27 -0.79 -0.05 0.00 0.00 0.00 0.00 23.12 22.01 1of4 s ALA 114 CO 0.34 -0.26 1.02 -0.80 0.00 0.00 0.00 175.76 176.06 1of4 s ASN 115 N 1.41 7.37 0.40 0.00 0.02 -1.26 -0.60 114.94 122.28 1of4 s ASN 115 Ca -0.09 1.83 0.28 0.00 -1.02 0.00 0.00 52.86 53.87 1of4 s ASN 115 Cb -0.10 -2.58 1.11 0.00 0.02 0.00 0.00 41.25 39.70 1of4 s ASN 115 CO -0.10 -0.20 1.83 -0.37 0.02 0.00 0.00 177.10 178.28 1of4 h VAL 116 N 4.26 0.00 0.00 1.60 -1.51 -1.40 -3.25 116.25 115.96 1of4 h VAL 116 Ca -0.42 -0.42 -0.16 0.00 -1.23 0.00 0.00 66.70 64.47 1of4 h VAL 116 Cb 1.21 1.30 -0.02 0.00 -2.13 0.00 0.00 31.29 31.65 1of4 h VAL 116 CO 0.74 0.00 -0.76 -0.33 -1.23 0.00 0.00 177.57 175.99 1of4 h GLU 117 N 0.00 0.00 -3.06 5.19 5.08 -1.81 -3.36 114.58 116.61 1of4 h GLU 117 Ca 0.00 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.74 1of4 h GLU 117 Cb 0.49 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.33 1of4 h GLU 117 CO 0.00 0.76 -0.65 0.45 -1.00 0.00 0.00 179.01 178.57 1of4 s SER 118 N -6.74 4.22 0.05 1.42 0.15 -1.23 -5.09 113.70 106.49 1of4 s SER 118 Ca 0.00 -3.45 0.04 0.00 0.70 0.00 0.00 55.95 53.25 1of4 s SER 118 Cb 0.11 -1.44 -0.02 0.00 -1.71 0.00 0.00 66.02 62.95 1of4 s SER 118 CO 0.78 -0.15 -0.13 0.00 1.20 0.00 0.00 173.24 174.95 1of4 s ALA 119 N -0.83 1.06 0.71 5.45 0.00 -1.26 -4.79 121.76 122.09 1of4 s ALA 119 Ca 0.23 -0.84 -0.15 0.00 0.00 0.00 0.00 51.96 51.20 1of4 s ALA 119 Cb -0.11 -0.12 0.03 0.00 0.00 0.00 0.00 23.12 22.92 1of4 s ALA 119 CO -0.11 0.17 1.16 -1.21 0.00 0.00 0.00 175.76 175.77 1of4 s GLU 120 N -1.33 2.37 0.15 0.00 2.02 -1.26 -4.89 118.70 115.76 1of4 s GLU 120 Ca -0.01 1.60 0.11 0.00 0.02 0.00 0.00 54.97 56.69 1of4 s GLU 120 Cb -0.08 -1.88 -0.04 0.00 0.10 0.00 0.00 34.13 32.23 1of4 s GLU 120 CO 0.01 -1.62 -0.25 0.96 0.02 0.00 0.00 175.26 174.38 1of4 s ILE 121 N -2.15 2.22 0.03 -1.63 -4.36 -1.26 -0.94 121.20 113.11 1of4 s ILE 121 Ca 0.71 -1.84 0.02 0.00 -0.26 0.00 0.00 60.65 59.28 1of4 s ILE 121 Cb -0.25 -1.99 -0.02 0.00 1.25 0.00 0.00 42.46 41.44 1of4 s ILE 121 CO 0.44 -0.02 -0.07 -0.51 0.24 0.00 0.00 174.94 175.02 1of4 s ILE 122 N -1.33 0.49 -0.11 8.37 2.07 0.06 -4.89 121.20 125.87 1of4 s ILE 122 Ca 0.16 -0.92 0.01 0.00 -1.41 0.00 0.00 60.65 58.48 1of4 s ILE 122 Cb -0.09 -0.54 -0.02 0.00 0.13 0.00 0.00 42.46 41.94 1of4 s ILE 122 CO 0.07 -0.31 -0.12 0.42 -1.91 0.00 0.00 174.94 173.10 1of4 s THR 123 N -1.17 3.17 -0.06 4.00 -4.23 -1.26 -0.52 115.64 115.58 1of4 s THR 123 Ca -0.08 -0.64 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 1of4 s THR 123 Cb -0.09 -2.31 0.02 0.00 1.34 0.00 0.00 72.50 71.47 1of4 s THR 123 CO 0.00 0.55 -0.03 -0.36 -0.54 0.00 0.00 174.62 174.24 1of4 s PHE 124 N -0.03 0.74 -1.23 3.99 0.08 -0.26 -4.89 117.98 116.37 1of4 s PHE 124 Ca -0.03 -0.21 -0.03 0.00 0.12 0.00 0.00 56.93 56.79 1of4 s PHE 124 Cb -0.14 -0.73 0.00 0.00 -0.57 0.00 0.00 43.02 41.58 1of4 s PHE 124 CO 0.04 -0.26 0.35 0.41 -0.10 0.00 0.00 175.22 175.66 1of4 n GLY 125 N 4.51 -0.25 3.15 4.36 0.00 -1.26 -1.61 105.19 114.09 1of4 n GLY 125 Ca -0.18 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1of4 n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1of4 n GLY 126 N -1.26 0.33 3.74 -0.02 0.00 -1.26 -5.01 105.19 101.71 1of4 n GLY 126 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 1of4 n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1of4 s LYS 127 N -0.82 2.93 0.02 1.61 1.02 -0.64 -5.12 119.74 118.74 1of4 s LYS 127 Ca 0.00 -0.56 -0.06 0.00 0.02 0.00 0.00 55.97 55.38 1of4 s LYS 127 Cb 0.00 -2.77 -0.05 0.00 -0.52 0.00 0.00 37.83 34.50 1of4 s LYS 127 CO 0.00 0.63 0.26 -1.21 -0.92 0.00 0.00 175.35 174.11 1of4 s GLU 128 N -1.72 3.55 -0.01 1.68 2.02 -1.26 -1.10 118.70 121.86 1of4 s GLU 128 Ca 0.22 -0.13 0.03 0.00 0.02 0.00 0.00 54.97 55.11 1of4 s GLU 128 Cb -0.12 -3.06 -0.01 0.00 0.10 0.00 0.00 34.13 31.04 1of4 s GLU 128 CO 0.13 0.64 -0.11 0.71 0.02 0.00 0.00 175.26 176.65 1of4 s TYR 129 N -1.33 1.05 0.25 1.61 1.51 0.33 -1.46 117.35 119.30 1of4 s TYR 129 Ca 0.29 -0.22 -0.30 0.00 -1.01 0.00 0.00 57.07 55.83 1of4 s TYR 129 Cb -0.13 -0.69 -0.10 0.00 -0.11 0.00 0.00 41.96 40.93 1of4 s TYR 129 CO 0.17 -0.05 1.43 1.03 -1.11 0.00 0.00 175.55 177.03 1of4 s ARG 130 N -0.14 4.27 -0.08 -0.62 0.52 0.43 -0.76 118.95 122.57 1of4 s ARG 130 Ca 0.02 2.29 0.05 0.00 -0.52 0.00 0.00 55.73 57.57 1of4 s ARG 130 Cb -0.06 -3.11 -0.01 0.00 0.52 0.00 0.00 34.95 32.29 1of4 s ARG 130 CO -0.00 -0.41 -0.24 0.50 0.02 0.00 0.00 175.30 175.18 1of4 s ARG 131 N -0.41 2.86 -0.10 3.54 3.00 -0.11 -1.59 118.95 126.14 1of4 s ARG 131 Ca 0.59 -0.88 -0.00 0.00 -1.00 0.00 0.00 55.73 54.44 1of4 s ARG 131 Cb -0.42 -2.27 0.02 0.00 0.00 0.00 0.00 34.95 32.29 1of4 s ARG 131 CO 0.43 0.27 -0.06 -0.06 0.00 0.00 0.00 175.30 175.88 1of4 s PHE 132 N 0.12 1.32 -0.05 5.12 0.08 -0.18 -4.08 117.98 120.32 1of4 s PHE 132 Ca -0.12 -0.62 -0.12 0.00 0.12 0.00 0.00 56.93 56.19 1of4 s PHE 132 Cb -0.16 -1.13 -0.05 0.00 -0.57 0.00 0.00 43.02 41.10 1of4 s PHE 132 CO 0.07 -0.46 0.32 -1.58 -0.10 0.00 0.00 175.22 173.46 1of4 s HIS 133 N 1.67 3.68 -0.14 0.36 5.65 -1.26 -0.79 115.29 124.45 1of4 s HIS 133 Ca 0.03 0.83 0.02 0.00 0.25 0.00 0.00 55.06 56.19 1of4 s HIS 133 Cb -0.13 -2.18 0.01 0.00 -1.18 0.00 0.00 32.58 29.11 1of4 s HIS 133 CO -0.07 0.66 -0.21 0.08 -0.65 0.00 0.00 174.74 174.55 1of4 s VAL 134 N -0.99 1.99 -0.10 0.89 1.01 0.25 -4.98 120.40 118.46 1of4 s VAL 134 Ca 0.21 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1of4 s VAL 134 Cb -0.15 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.48 1of4 s VAL 134 CO 0.10 0.54 -0.11 -0.60 0.00 0.00 0.00 175.10 175.03 1of4 s ARG 135 N 0.87 1.76 -0.11 2.72 3.52 -1.26 -1.23 118.95 125.23 1of4 s ARG 135 Ca -0.06 -0.37 0.01 0.00 -0.13 0.00 0.00 55.73 55.17 1of4 s ARG 135 Cb -0.15 -1.64 0.02 0.00 -1.56 0.00 0.00 34.95 31.62 1of4 s ARG 135 CO -0.03 -0.16 -0.10 0.42 -0.81 0.00 0.00 175.30 174.62 1of4 s ILE 136 N 1.31 1.18 -0.05 4.11 1.01 0.30 -4.86 121.20 124.20 1of4 s ILE 136 Ca -0.02 -0.42 -0.12 0.00 0.00 0.00 0.00 60.65 60.09 1of4 s ILE 136 Cb -0.14 -1.14 -0.05 0.00 0.01 0.00 0.00 42.46 41.14 1of4 s ILE 136 CO -0.04 0.39 0.32 -1.61 0.00 0.00 0.00 174.94 173.99 1of4 s GLU 137 N 1.36 3.77 0.25 2.79 2.02 -1.26 -0.96 118.70 126.67 1of4 s GLU 137 Ca -0.01 0.22 -0.08 0.00 0.02 0.00 0.00 54.97 55.13 1of4 s GLU 137 Cb -0.14 -3.22 -0.01 0.00 0.10 0.00 0.00 34.13 30.86 1of4 s GLU 137 CO -0.05 0.70 0.38 -0.59 0.02 0.00 0.00 175.26 175.72 1of4 s PHE 138 N -1.00 0.70 0.29 1.61 -0.71 -0.11 -4.73 117.98 114.02 1of4 s PHE 138 Ca 0.21 -1.00 -0.08 0.00 -1.04 0.00 0.00 56.93 55.02 1of4 s PHE 138 Cb -0.15 -0.07 -0.06 0.00 -1.21 0.00 0.00 43.02 41.53 1of4 s PHE 138 CO 0.10 -0.91 0.59 -0.51 -1.34 0.00 0.00 175.22 173.15 1of4 s ASP 139 N -3.09 6.53 0.09 1.98 1.11 -1.26 -4.47 116.67 117.56 1of4 s ASP 139 Ca 0.28 0.87 -0.34 0.00 0.18 0.00 0.00 52.55 53.54 1of4 s ASP 139 Cb 0.02 -2.21 -0.14 0.00 1.07 0.00 0.00 42.92 41.66 1of4 s ASP 139 CO 0.11 -0.19 1.62 0.54 1.18 0.00 0.00 175.17 178.44 1of4 n ARG 140 N -0.70 2.01 -4.00 8.23 1.74 -1.25 -4.86 116.66 117.83 1of4 n ARG 140 Ca -0.00 0.73 -0.31 0.00 -0.77 0.00 0.00 57.85 57.50 1of4 n ARG 140 Cb 0.53 -2.49 -0.16 0.00 -1.02 0.00 0.00 32.46 29.32 1of4 n ARG 140 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1of4 s THR 141 N 1.58 1.70 0.41 0.55 2.01 -1.23 -5.07 115.64 115.59 1of4 s THR 141 Ca 0.83 -1.11 -0.27 0.00 0.31 0.00 0.00 61.69 61.45 1of4 s THR 141 Cb -0.73 -1.80 -0.10 0.00 0.01 0.00 0.00 72.50 69.89 1of4 s THR 141 CO 0.43 0.11 1.48 0.00 -0.69 0.00 0.00 174.62 175.94 1of4 s ALA 142 N 1.36 3.44 0.00 7.40 0.00 -1.26 -3.48 121.76 129.22 1of4 s ALA 142 Ca -0.03 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.49 1of4 s ALA 142 Cb -0.17 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.34 1of4 s ALA 142 CO -0.08 -1.14 0.00 0.41 0.00 0.00 0.00 175.76 174.95 1of4 n GLY 143 N 0.49 1.49 3.80 0.00 0.00 -1.26 -5.01 105.19 104.70 1of4 n GLY 143 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1of4 n GLY 143 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1of4 s VAL 144 N -3.73 4.31 0.00 1.61 -7.23 -1.23 -4.25 120.40 109.88 1of4 s VAL 144 Ca 0.00 1.64 0.00 0.00 -1.81 0.00 0.00 61.98 61.81 1of4 s VAL 144 Cb 0.00 -3.80 0.00 0.00 0.56 0.00 0.00 36.38 33.14 1of4 s VAL 144 CO 0.00 -0.08 0.00 0.29 -0.31 0.00 0.00 175.10 175.00 1of4 n LYS 145 N -0.03 3.14 -5.21 4.82 4.76 0.18 -3.76 118.16 122.05 1of4 n LYS 145 Ca 0.04 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.17 1of4 n LYS 145 Cb 0.52 -0.26 -0.16 0.00 -1.84 0.00 0.00 35.03 33.29 1of4 n LYS 145 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1of4 s GLU 146 N 0.00 2.71 -0.23 1.97 2.02 -0.26 -1.44 118.70 123.46 1of4 s GLU 146 Ca 0.00 -0.88 -0.07 0.00 0.02 0.00 0.00 54.97 54.04 1of4 s GLU 146 Cb 0.00 -2.23 -0.03 0.00 0.10 0.00 0.00 34.13 31.97 1of4 s GLU 146 CO 0.00 0.34 0.06 -1.17 0.02 0.00 0.00 175.26 174.51 1of4 s LEU 147 N -0.05 3.50 -0.19 1.80 2.96 -0.27 -1.71 118.68 124.72 1of4 s LEU 147 Ca -0.07 -0.14 -0.07 0.00 -0.22 0.00 0.00 54.13 53.62 1of4 s LEU 147 Cb -0.15 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 1of4 s LEU 147 CO 0.05 0.02 0.07 -1.00 -1.32 0.00 0.00 176.35 174.17 1of4 s HIS 148 N 1.26 3.23 -0.26 5.38 3.76 -0.07 -1.30 115.29 127.29 1of4 s HIS 148 Ca 0.05 0.02 -0.10 0.00 -0.15 0.00 0.00 55.06 54.88 1of4 s HIS 148 Cb -0.15 -2.10 -0.05 0.00 1.11 0.00 0.00 32.58 31.40 1of4 s HIS 148 CO 0.03 0.09 0.15 0.42 -0.85 0.00 0.00 174.74 174.58 1of4 s ILE 149 N 0.54 5.12 -0.29 0.60 1.01 0.11 -0.41 121.20 127.88 1of4 s ILE 149 Ca 0.03 0.10 -0.09 0.00 0.00 0.00 0.00 60.65 60.70 1of4 s ILE 149 Cb -0.13 -3.41 -0.01 0.00 0.01 0.00 0.00 42.46 38.93 1of4 s ILE 149 CO 0.01 0.31 0.12 -0.83 0.00 0.00 0.00 174.94 174.55 1of4 s GLY 150 N 1.42 1.83 -0.35 6.18 0.00 -0.72 -1.83 107.32 113.84 1of4 s GLY 150 Ca 0.07 -1.32 -0.13 0.00 0.00 0.00 0.00 44.72 43.33 1of4 s GLY 150 CO 0.07 0.64 0.26 0.14 0.00 0.00 0.00 173.10 174.21 1of4 s VAL 151 N 1.60 5.28 -0.11 1.40 1.01 -0.42 -1.56 120.40 127.60 1of4 s VAL 151 Ca 0.05 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.74 1of4 s VAL 151 Cb -0.17 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.47 1of4 s VAL 151 CO 0.05 -0.07 -0.15 -0.69 0.00 0.00 0.00 175.10 174.24 1of4 s VAL 152 N 1.72 1.48 0.08 2.92 1.01 -1.26 -1.36 120.40 124.99 1of4 s VAL 152 Ca 0.06 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 1of4 s VAL 152 Cb -0.18 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1of4 s VAL 152 CO 0.10 0.44 0.24 -0.83 0.00 0.00 0.00 175.10 175.05 1of4 s GLY 153 N 0.99 2.17 -0.28 4.51 0.00 0.78 -0.52 107.32 114.97 1of4 s GLY 153 Ca -0.07 -0.81 -0.02 0.00 0.00 0.00 0.00 44.72 43.82 1of4 s GLY 153 CO -0.02 -0.79 0.09 -0.35 0.00 0.00 0.00 173.10 172.04 1of4 s ASP 154 N -2.54 3.65 -1.32 1.64 2.15 0.07 -0.54 116.67 119.78 1of4 s ASP 154 Ca 0.36 -1.36 -0.09 0.00 0.43 0.00 0.00 52.55 51.89 1of4 s ASP 154 Cb -0.13 -0.68 0.06 0.00 -0.30 0.00 0.00 42.92 41.87 1of4 s ASP 154 CO 0.28 -0.39 0.51 1.41 -0.17 0.00 0.00 175.17 176.80 1of4 n HIS 155 N 4.99 -1.82 -3.54 -5.34 8.25 -0.53 -1.55 115.22 115.67 1of4 n HIS 155 Ca -0.05 0.48 -0.41 0.00 -0.26 0.00 0.00 57.72 57.49 1of4 n HIS 155 Cb 0.43 -3.15 -0.07 0.00 1.12 0.00 0.00 29.99 28.32 1of4 n HIS 155 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1of4 s LEU 156 N -6.53 5.88 -0.24 2.41 2.96 -1.26 -3.83 118.68 118.08 1of4 s LEU 156 Ca 0.39 -2.58 -0.29 0.00 -0.22 0.00 0.00 54.13 51.44 1of4 s LEU 156 Cb -0.20 -2.02 -0.00 0.00 0.50 0.00 0.00 46.19 44.47 1of4 s LEU 156 CO 0.48 -0.52 1.22 -0.60 -1.32 0.00 0.00 176.35 175.62 1of4 s ARG 157 N 0.35 4.11 -0.28 1.98 3.52 -1.25 -3.93 118.95 123.44 1of4 s ARG 157 Ca 0.15 1.40 -0.17 0.00 -0.13 0.00 0.00 55.73 56.98 1of4 s ARG 157 Cb -0.18 -3.78 0.08 0.00 -1.56 0.00 0.00 34.95 29.51 1of4 s ARG 157 CO -0.05 -0.86 0.71 -0.47 -0.81 0.00 0.00 175.30 173.82 1of4 s TYR 158 N 3.78 -1.03 -0.29 5.12 5.04 -0.60 -4.82 117.35 124.54 1of4 s TYR 158 Ca 0.52 2.08 -0.00 0.00 -2.44 0.00 0.00 57.07 57.24 1of4 s TYR 158 Cb -0.18 0.60 0.09 0.00 0.35 0.00 0.00 41.96 42.83 1of4 s TYR 158 CO 0.16 -0.51 0.06 0.34 -1.34 0.00 0.00 175.55 174.27 1of4 s ASP 159 N 1.54 4.01 0.00 4.32 -1.08 -1.26 -0.46 116.67 123.75 1of4 s ASP 159 Ca -0.09 -1.58 0.00 0.00 -0.52 0.00 0.00 52.55 50.36 1of4 s ASP 159 Cb -0.05 -1.00 0.00 0.00 -1.46 0.00 0.00 42.92 40.41 1of4 s ASP 159 CO -0.18 -0.38 0.00 0.61 0.52 0.00 0.00 175.17 175.74 1of4 n GLY 160 N 4.75 -0.89 3.80 2.66 0.00 -0.75 -5.02 105.19 109.74 1of4 n GLY 160 Ca -0.03 -1.05 -0.37 0.00 0.00 0.00 0.00 46.02 44.57 1of4 n GLY 160 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1of4 s PRO 161 N -1.49 4.41 -0.05 1.61 0.04 -1.26 -1.43 135.00 136.83 1of4 s PRO 161 Ca 0.00 1.06 0.04 0.00 0.04 0.00 0.00 61.00 62.14 1of4 s PRO 161 Cb 0.00 -2.93 0.00 0.00 0.04 0.00 0.00 34.50 31.61 1of4 s PRO 161 CO 0.00 0.39 -0.15 0.42 0.04 0.00 0.00 177.00 177.70 1of4 s ILE 162 N -1.48 1.32 0.00 0.56 1.01 -0.03 -4.45 121.20 118.14 1of4 s ILE 162 Ca 0.44 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.48 1of4 s ILE 162 Cb -0.18 -1.16 -0.03 0.00 0.01 0.00 0.00 42.46 41.09 1of4 s ILE 162 CO 0.23 0.39 -0.08 -0.36 0.00 0.00 0.00 174.94 175.12 1of4 s PHE 163 N 0.23 2.86 -0.05 3.97 0.08 0.00 -0.74 117.98 124.33 1of4 s PHE 163 Ca -0.07 -0.06 0.04 0.00 0.12 0.00 0.00 56.93 56.96 1of4 s PHE 163 Cb -0.13 -1.60 -0.03 0.00 -0.57 0.00 0.00 43.02 40.70 1of4 s PHE 163 CO 0.03 0.36 -0.15 0.42 -0.10 0.00 0.00 175.22 175.77 1of4 s ILE 164 N -0.97 2.98 0.19 0.64 -1.09 -0.14 -0.87 121.20 121.93 1of4 s ILE 164 Ca 0.16 -0.75 -0.13 0.00 -2.23 0.00 0.00 60.65 57.70 1of4 s ILE 164 Cb -0.11 -2.16 0.00 0.00 -1.58 0.00 0.00 42.46 38.62 1of4 s ILE 164 CO 0.07 0.59 0.41 -0.62 -1.23 0.00 0.00 174.94 174.15 1of4 s ASP 165 N -0.69 -0.09 -1.26 3.58 2.15 -0.61 -1.74 116.67 118.01 1of4 s ASP 165 Ca 0.11 -0.75 -0.02 0.00 0.43 0.00 0.00 52.55 52.32 1of4 s ASP 165 Cb -0.11 0.52 0.00 0.00 -0.30 0.00 0.00 42.92 43.03 1of4 s ASP 165 CO 0.00 -1.00 0.95 0.59 -0.17 0.00 0.00 175.17 175.55 1of4 n ASN 166 N -0.29 -2.51 -4.66 -0.34 3.02 -1.17 -1.33 115.26 107.99 1of4 n ASN 166 Ca -0.07 -0.66 -0.43 0.00 -0.03 0.00 0.00 54.58 53.39 1of4 n ASN 166 Cb 0.63 -4.82 -0.02 0.00 -0.61 0.00 0.00 39.78 34.95 1of4 n ASN 166 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1of4 s VAL 167 N -3.42 4.38 -0.05 2.41 1.01 -0.51 -4.03 120.40 120.18 1of4 s VAL 167 Ca 0.10 1.65 0.03 0.00 0.00 0.00 0.00 61.98 63.76 1of4 s VAL 167 Cb -0.05 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.22 1of4 s VAL 167 CO 0.75 -0.21 -0.14 -0.13 0.00 0.00 0.00 175.10 175.38 1of4 s ARG 168 N 3.52 1.62 -0.09 2.72 0.52 0.19 -0.43 118.95 127.00 1of4 s ARG 168 Ca 0.52 -0.47 0.04 0.00 -0.52 0.00 0.00 55.73 55.29 1of4 s ARG 168 Cb -0.19 -1.38 0.00 0.00 0.52 0.00 0.00 34.95 33.91 1of4 s ARG 168 CO 0.13 0.12 -0.20 -0.51 0.02 0.00 0.00 175.30 174.86 1of4 s LEU 169 N 0.35 1.95 0.03 2.53 1.43 -0.12 -1.12 118.68 123.73 1of4 s LEU 169 Ca -0.09 -0.47 0.07 0.00 -1.03 0.00 0.00 54.13 52.61 1of4 s LEU 169 Cb -0.13 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 1of4 s LEU 169 CO 0.03 0.13 -0.18 -0.31 0.23 0.00 0.00 176.35 176.25 1of4 s TYR 170 N 0.39 2.57 0.19 0.29 1.51 -0.23 -0.28 117.35 121.79 1of4 s TYR 170 Ca -0.16 -0.25 0.08 0.00 -1.01 0.00 0.00 57.07 55.72 1of4 s TYR 170 Cb -0.17 -1.48 -0.05 0.00 -0.11 0.00 0.00 41.96 40.15 1of4 s TYR 170 CO 0.07 0.24 -0.15 -1.59 -1.11 0.00 0.00 175.55 173.01 1of4 s LYS 171 N -1.35 1.30 0.42 -0.62 -2.85 -0.39 -1.15 119.74 115.09 1of4 s LYS 171 Ca 0.14 -1.54 -0.26 0.00 -1.00 0.00 0.00 55.97 53.31 1of4 s LYS 171 Cb -0.10 -1.13 -0.09 0.00 -2.06 0.00 0.00 37.83 34.45 1of4 s LYS 171 CO 0.05 0.19 1.42 1.03 0.10 0.00 0.00 175.35 178.14 1of4 s ARG 172 N -3.47 3.87 0.00 1.78 0.52 -1.26 -0.98 118.95 119.42 1of4 s ARG 172 Ca 0.21 2.42 0.25 0.00 -0.52 0.00 0.00 55.73 58.08 1of4 s ARG 172 Cb -0.02 -2.78 0.32 0.00 0.52 0.00 0.00 34.95 32.99 1of4 s ARG 172 CO 0.06 -0.66 1.33 2.41 0.02 0.00 0.00 175.30 178.46