#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d29 n THR 6 N 0.00 0.00 -0.73 2.61 -2.24 -1.26 -4.92 114.28 107.74 3d29 n THR 6 Ca 0.00 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3d29 n THR 6 Cb 0.00 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 3d29 n THR 6 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d29 n GLY 7 N 0.28 0.59 0.00 3.38 0.00 -1.26 -4.92 105.19 103.27 3d29 n GLY 7 Ca 0.01 -0.41 0.15 0.00 0.00 0.00 0.00 46.02 45.76 3d29 n GLY 7 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3d29 n TYR 8 N -2.73 0.00 -0.56 1.61 4.01 -1.26 -3.23 117.16 115.00 3d29 n TYR 8 Ca 0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.80 3d29 n TYR 8 Cb 0.00 -0.03 0.16 0.00 -0.31 0.00 0.00 39.34 39.16 3d29 n TYR 8 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3d29 n ASP 9 N -1.03 3.02 0.01 7.72 5.75 -1.26 -4.55 116.55 126.21 3d29 n ASP 9 Ca 0.21 -2.52 0.11 0.00 -0.01 0.00 0.00 54.79 52.59 3d29 n ASP 9 Cb 0.11 -0.33 -0.13 0.00 -1.03 0.00 0.00 41.12 39.75 3d29 n ASP 9 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3d29 n LEU 10 N -0.30 0.28 -4.16 -2.12 4.77 -1.20 -4.65 117.00 109.63 3d29 n LEU 10 Ca 0.14 -0.03 -0.25 0.00 -0.03 0.00 0.00 56.01 55.84 3d29 n LEU 10 Cb 0.59 -0.02 -0.16 0.00 -2.33 0.00 0.00 43.42 41.51 3d29 n LEU 10 CO 0.08 0.01 -0.50 -0.55 -1.33 0.00 0.00 177.39 175.10 3d29 s SER 11 N -4.37 2.10 0.00 -1.43 0.15 -1.26 -5.10 113.70 103.78 3d29 s SER 11 Ca -0.04 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.28 3d29 s SER 11 Cb 0.14 -0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.09 3d29 s SER 11 CO 0.88 0.19 0.88 -3.20 1.20 0.00 0.00 173.24 173.19 3d29 n ASN 12 N 2.83 0.00 -0.07 5.45 5.15 -1.26 -3.40 115.26 123.96 3d29 n ASN 12 Ca -0.16 0.88 0.00 0.00 -0.60 0.00 0.00 54.58 54.70 3d29 n ASN 12 Cb 0.54 -0.38 0.00 0.00 -0.53 0.00 0.00 39.78 39.41 3d29 n ASN 12 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3d29 n SER 13 N -1.79 0.03 -4.74 1.20 3.41 -1.25 -4.69 113.62 105.78 3d29 n SER 13 Ca 0.00 -0.44 -0.40 0.00 -0.26 0.00 0.00 58.87 57.77 3d29 n SER 13 Cb 0.00 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 63.89 3d29 n SER 13 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3d29 s VAL 14 N -1.85 4.65 -0.02 -3.33 1.01 -1.22 -4.95 120.40 114.69 3d29 s VAL 14 Ca 0.00 1.80 -0.20 0.00 0.00 0.00 0.00 61.98 63.58 3d29 s VAL 14 Cb 0.00 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 3d29 s VAL 14 CO 0.00 0.34 0.58 -0.36 0.00 0.00 0.00 175.10 175.66 3d29 s PHE 15 N 0.00 3.67 0.73 5.22 0.08 -1.26 -4.36 117.98 122.05 3d29 s PHE 15 Ca 0.42 1.17 -0.08 0.00 0.12 0.00 0.00 56.93 58.56 3d29 s PHE 15 Cb -0.21 -2.60 0.06 0.00 -0.57 0.00 0.00 43.02 39.70 3d29 s PHE 15 CO 0.25 0.34 1.05 -1.54 -0.10 0.00 0.00 175.22 175.23 3d29 s SER 16 N -0.13 4.76 0.62 1.36 1.04 0.05 -4.89 113.70 116.53 3d29 s SER 16 Ca 0.30 0.54 0.35 0.00 0.48 0.00 0.00 55.95 57.62 3d29 s SER 16 Cb -0.18 -1.16 2.01 0.00 0.10 0.00 0.00 66.02 66.79 3d29 s SER 16 CO 0.16 -1.66 2.26 -0.65 0.98 0.00 0.00 173.24 174.33 3d29 h PRO 17 N -0.69 0.00 -0.64 4.02 0.11 -1.97 -0.03 132.00 132.80 3d29 h PRO 17 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3d29 h PRO 17 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3d29 h PRO 17 CO 0.62 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.01 3d29 n ASP 18 N -3.51 4.87 -0.54 -2.05 3.85 -1.26 -4.94 116.55 112.96 3d29 n ASP 18 Ca -0.02 -2.70 -0.06 0.00 -0.71 0.00 0.00 54.79 51.30 3d29 n ASP 18 Cb 0.13 -0.63 -0.02 0.00 -1.35 0.00 0.00 41.12 39.26 3d29 n ASP 18 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3d29 n GLY 19 N 0.67 0.53 3.83 6.12 0.00 -0.02 -5.05 105.19 111.26 3d29 n GLY 19 Ca 0.24 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 45.31 3d29 n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d29 s ARG 20 N -3.26 2.56 -0.50 1.61 0.52 -1.26 -4.78 118.95 113.84 3d29 s ARG 20 Ca 0.00 -1.46 0.03 0.00 -0.52 0.00 0.00 55.73 53.79 3d29 s ARG 20 Cb 0.00 -2.35 0.13 0.00 0.52 0.00 0.00 34.95 33.25 3d29 s ARG 20 CO 0.00 -0.01 0.27 1.21 0.02 0.00 0.00 175.30 176.79 3d29 s ASN 21 N -4.01 4.11 0.34 0.23 3.84 -1.26 -0.77 114.94 117.43 3d29 s ASN 21 Ca 0.43 -2.94 0.08 0.00 0.21 0.00 0.00 52.86 50.63 3d29 s ASN 21 Cb -0.04 -1.44 0.78 0.00 -0.55 0.00 0.00 41.25 40.00 3d29 s ASN 21 CO 0.26 -0.23 1.87 -0.26 -2.79 0.00 0.00 177.10 175.94 3d29 h PHE 22 N 6.50 0.87 -0.50 0.43 0.04 -1.80 -1.27 116.94 121.20 3d29 h PHE 22 Ca -0.04 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.80 3d29 h PHE 22 Cb 0.89 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.74 3d29 h PHE 22 CO 0.51 0.33 0.34 1.96 -0.60 0.00 0.00 178.31 180.85 3d29 h GLN 23 N 0.74 0.50 -0.18 1.51 1.08 -1.84 0.36 115.11 117.28 3d29 h GLN 23 Ca 0.45 -0.03 -0.08 0.00 -1.45 0.00 0.00 58.65 57.54 3d29 h GLN 23 Cb 0.67 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.99 3d29 h GLN 23 CO -0.21 0.33 -0.21 0.28 -0.95 0.00 0.00 178.83 178.07 3d29 h VAL 24 N 0.52 1.34 -0.51 -0.54 2.07 -1.57 -1.99 116.25 115.57 3d29 h VAL 24 Ca 0.21 -1.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 3d29 h VAL 24 Cb 0.19 1.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 3d29 h VAL 24 CO -0.06 0.42 0.29 -0.33 0.02 0.00 0.00 177.57 177.92 3d29 h GLU 25 N 0.11 0.68 -0.03 1.57 5.08 -0.90 -0.44 114.58 120.66 3d29 h GLU 25 Ca 0.02 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 3d29 h GLU 25 Cb 0.77 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3d29 h GLU 25 CO 0.05 0.49 -0.47 1.88 -1.00 0.00 0.00 179.01 179.96 3d29 h TYR 26 N 0.70 0.09 -0.62 4.33 0.05 -0.19 -2.43 116.97 118.88 3d29 h TYR 26 Ca 0.18 -0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.88 3d29 h TYR 26 Cb -0.01 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 37.69 3d29 h TYR 26 CO 0.00 0.53 0.18 0.00 -1.05 0.00 0.00 178.16 177.83 3d29 h ALA 27 N 1.46 0.82 -0.60 3.88 0.00 -0.33 -1.84 119.26 122.66 3d29 h ALA 27 Ca 0.00 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 54.81 3d29 h ALA 27 Cb 0.86 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 3d29 h ALA 27 CO 0.06 0.50 0.41 0.28 0.00 0.00 0.00 179.25 180.50 3d29 h VAL 28 N 0.90 0.86 -0.70 0.00 2.07 -0.87 0.33 116.25 118.85 3d29 h VAL 28 Ca 0.20 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.56 3d29 h VAL 28 Cb 0.31 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3d29 h VAL 28 CO -0.00 0.06 0.30 0.11 0.02 0.00 0.00 177.57 178.06 3d29 h LYS 29 N 0.35 1.03 -0.09 1.57 1.79 -1.13 0.52 116.57 120.61 3d29 h LYS 29 Ca 0.28 -0.16 -0.09 0.00 -2.18 0.00 0.00 60.65 58.50 3d29 h LYS 29 Cb 0.63 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 3d29 h LYS 29 CO -0.07 0.82 -0.35 0.00 -1.08 0.00 0.00 179.45 178.77 3d29 h ALA 30 N 1.32 1.25 -0.14 3.86 0.00 -0.88 -2.40 119.26 122.26 3d29 h ALA 30 Ca 0.24 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3d29 h ALA 30 Cb 0.17 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3d29 h ALA 30 CO -0.02 0.52 -0.24 0.28 0.00 0.00 0.00 179.25 179.79 3d29 h VAL 31 N 0.16 1.36 0.00 0.00 2.07 -0.69 -3.10 116.25 116.05 3d29 h VAL 31 Ca 0.02 -1.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.05 3d29 h VAL 31 Cb 0.70 1.98 -0.00 0.00 -1.52 0.00 0.00 31.29 32.45 3d29 h VAL 31 CO 0.05 0.44 -0.06 -0.33 0.02 0.00 0.00 177.57 177.68 3d29 h GLU 32 N 0.02 0.00 -0.00 1.57 5.08 -0.79 -0.43 114.58 120.02 3d29 h GLU 32 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3d29 h GLU 32 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 3d29 h GLU 32 CO 0.05 0.06 -0.09 -1.71 -1.00 0.00 0.00 179.01 176.33 3d29 n ASN 33 N -3.35 0.18 -4.50 1.42 2.85 -0.92 -2.90 115.26 108.03 3d29 n ASN 33 Ca -0.01 -0.03 -0.26 0.00 -0.11 0.00 0.00 54.58 54.16 3d29 n ASN 33 Cb 0.23 -0.24 0.13 0.00 1.24 0.00 0.00 39.78 41.13 3d29 n ASN 33 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 3d29 s GLY 34 N -2.75 1.76 0.67 8.20 0.00 -0.17 -4.79 107.32 110.24 3d29 s GLY 34 Ca 0.21 -1.45 -0.17 0.00 0.00 0.00 0.00 44.72 43.31 3d29 s GLY 34 CO 0.52 -0.83 1.28 -1.59 0.00 0.00 0.00 173.10 172.48 3d29 s THR 35 N -3.43 2.05 0.12 0.90 2.01 -1.26 -0.32 115.64 115.71 3d29 s THR 35 Ca 0.68 0.03 -0.24 0.00 0.31 0.00 0.00 61.69 62.47 3d29 s THR 35 Cb -0.05 -2.93 -0.07 0.00 0.01 0.00 0.00 72.50 69.46 3d29 s THR 35 CO 0.48 -0.01 0.73 0.28 -0.69 0.00 0.00 174.62 175.41 3d29 s THR 36 N -1.51 4.52 0.02 -0.82 -1.32 -1.26 -4.24 115.64 111.04 3d29 s THR 36 Ca 0.81 1.60 -0.04 0.00 -1.21 0.00 0.00 61.69 62.84 3d29 s THR 36 Cb -0.36 -4.09 -0.01 0.00 -1.51 0.00 0.00 72.50 66.53 3d29 s THR 36 CO 0.41 0.49 0.07 -0.94 -2.21 0.00 0.00 174.62 172.44 3d29 s SER 37 N -0.87 0.14 0.24 8.08 1.04 -0.52 -1.54 113.70 120.27 3d29 s SER 37 Ca 0.35 -0.40 0.01 0.00 0.48 0.00 0.00 55.95 56.39 3d29 s SER 37 Cb -0.22 0.18 -0.04 0.00 0.10 0.00 0.00 66.02 66.04 3d29 s SER 37 CO 0.24 -0.39 0.18 0.27 0.98 0.00 0.00 173.24 174.52 3d29 s ILE 38 N -1.78 0.00 -0.09 -1.02 -4.36 -0.01 -1.69 121.20 112.24 3d29 s ILE 38 Ca -0.12 -1.98 -0.06 0.00 -0.26 0.00 0.00 60.65 58.22 3d29 s ILE 38 Cb -0.06 -2.50 0.04 0.00 1.25 0.00 0.00 42.46 41.19 3d29 s ILE 38 CO -0.01 0.00 0.23 -0.83 0.24 0.00 0.00 174.94 174.57 3d29 s GLY 39 N -3.22 -0.14 -0.09 6.27 0.00 0.83 -2.54 107.32 108.42 3d29 s GLY 39 Ca 0.39 0.84 0.02 0.00 0.00 0.00 0.00 44.72 45.97 3d29 s GLY 39 CO 0.17 0.98 -0.14 -0.42 0.00 0.00 0.00 173.10 173.69 3d29 s ILE 40 N 0.84 1.34 -0.36 0.90 1.01 -0.17 -0.59 121.20 124.17 3d29 s ILE 40 Ca -0.06 -0.57 -0.17 0.00 0.00 0.00 0.00 60.65 59.85 3d29 s ILE 40 Cb -0.07 -1.23 0.00 0.00 0.01 0.00 0.00 42.46 41.17 3d29 s ILE 40 CO -0.05 0.41 0.47 -0.75 0.00 0.00 0.00 174.94 175.02 3d29 s LYS 41 N 0.87 3.50 0.51 2.79 2.20 -0.55 -0.29 119.74 128.78 3d29 s LYS 41 Ca -0.10 -0.33 0.01 0.00 -0.36 0.00 0.00 55.97 55.19 3d29 s LYS 41 Cb -0.15 -3.84 0.10 0.00 -1.51 0.00 0.00 37.83 32.42 3d29 s LYS 41 CO 0.01 -0.67 0.71 0.00 -0.36 0.00 0.00 175.35 175.03 3d29 n ASN 43 N -2.84 0.45 -0.87 0.00 2.04 0.66 -3.53 115.26 111.18 3d29 n ASN 43 Ca 0.12 0.65 -0.00 0.00 -0.44 0.00 0.00 54.58 54.91 3d29 n ASN 43 Cb 0.44 -0.73 -0.01 0.00 -2.53 0.00 0.00 39.78 36.94 3d29 n ASN 43 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 3d29 n ASP 44 N -2.04 0.06 0.00 0.53 3.85 -1.26 -4.92 116.55 112.77 3d29 n ASP 44 Ca 0.01 -1.77 0.00 0.00 -0.71 0.00 0.00 54.79 52.32 3d29 n ASP 44 Cb 0.13 -0.08 0.00 0.00 -1.35 0.00 0.00 41.12 39.82 3d29 n ASP 44 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3d29 n GLY 45 N 0.13 -0.61 3.07 6.12 0.00 -1.23 -0.31 105.19 112.36 3d29 n GLY 45 Ca -0.04 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 3d29 n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3d29 s VAL 46 N -3.00 0.10 -0.05 1.61 -7.23 0.96 -1.44 120.40 111.35 3d29 s VAL 46 Ca 0.00 -0.85 0.06 0.00 -1.81 0.00 0.00 61.98 59.38 3d29 s VAL 46 Cb 0.00 -0.49 -0.01 0.00 0.56 0.00 0.00 36.38 36.44 3d29 s VAL 46 CO 0.00 -0.47 -0.22 -0.69 -0.31 0.00 0.00 175.10 173.41 3d29 s VAL 47 N -1.68 1.81 -0.01 1.32 1.01 0.61 -1.05 120.40 122.40 3d29 s VAL 47 Ca -0.13 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 60.99 3d29 s VAL 47 Cb -0.07 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 3d29 s VAL 47 CO -0.00 0.51 -0.24 -0.36 0.00 0.00 0.00 175.10 175.00 3d29 s PHE 48 N -0.15 2.39 -0.01 5.22 0.40 0.37 -1.00 117.98 125.20 3d29 s PHE 48 Ca -0.02 -0.39 -0.12 0.00 -0.60 0.00 0.00 56.93 55.80 3d29 s PHE 48 Cb -0.12 -1.50 0.01 0.00 0.51 0.00 0.00 43.02 41.92 3d29 s PHE 48 CO 0.02 0.02 0.24 0.00 0.70 0.00 0.00 175.22 176.21 3d29 s ALA 49 N -0.66 -0.59 0.05 5.36 0.00 -1.05 -0.47 121.76 124.38 3d29 s ALA 49 Ca 0.11 0.13 -0.12 0.00 0.00 0.00 0.00 51.96 52.07 3d29 s ALA 49 Cb -0.10 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.13 3d29 s ALA 49 CO -0.00 -0.24 0.27 0.54 0.00 0.00 0.00 175.76 176.33 3d29 s VAL 50 N -1.36 0.09 -0.11 0.00 0.11 -0.43 -0.83 120.40 117.88 3d29 s VAL 50 Ca -0.14 -0.77 -0.19 0.00 -2.93 0.00 0.00 61.98 57.94 3d29 s VAL 50 Cb -0.06 -0.96 -0.04 0.00 -1.53 0.00 0.00 36.38 33.78 3d29 s VAL 50 CO 0.03 -0.43 0.53 -0.70 -3.33 0.00 0.00 175.10 171.21 3d29 s GLU 51 N -2.68 4.36 -0.41 1.54 2.12 -0.59 -2.86 118.70 120.18 3d29 s GLU 51 Ca -0.04 0.55 0.04 0.00 0.36 0.00 0.00 54.97 55.88 3d29 s GLU 51 Cb -0.00 -3.44 0.11 0.00 0.26 0.00 0.00 34.13 31.06 3d29 s GLU 51 CO -0.04 0.13 0.13 0.15 -0.54 0.00 0.00 175.26 175.09 3d29 s LYS 52 N 0.69 1.68 0.34 4.30 1.02 -0.43 -4.69 119.74 122.64 3d29 s LYS 52 Ca 0.29 -2.17 -0.29 0.00 0.02 0.00 0.00 55.97 53.82 3d29 s LYS 52 Cb -0.16 -3.25 -0.11 0.00 -0.52 0.00 0.00 37.83 33.79 3d29 s LYS 52 CO 0.12 -1.01 1.51 -0.51 -0.92 0.00 0.00 175.35 174.54 3d29 s LEU 53 N 0.44 4.34 -0.95 3.17 1.43 -1.26 -0.34 118.68 125.50 3d29 s LEU 53 Ca 0.13 2.97 -0.14 0.00 -1.03 0.00 0.00 54.13 56.06 3d29 s LEU 53 Cb -0.22 -3.65 0.21 0.00 0.03 0.00 0.00 46.19 42.56 3d29 s LEU 53 CO -0.05 -0.86 0.98 -0.63 0.23 0.00 0.00 176.35 176.03 3d29 s ILE 54 N -0.65 5.50 0.54 -0.59 1.01 0.22 -4.86 121.20 122.37 3d29 s ILE 54 Ca 0.57 -2.57 0.27 0.00 0.00 0.00 0.00 60.65 58.92 3d29 s ILE 54 Cb -0.46 -4.60 0.41 0.00 0.01 0.00 0.00 42.46 37.82 3d29 s ILE 54 CO 0.56 -1.21 1.97 0.74 0.00 0.00 0.00 174.94 177.00 3d29 h THR 55 N 4.68 0.65 -1.96 2.92 2.02 -1.91 -3.40 112.91 115.90 3d29 h THR 55 Ca 0.15 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.52 3d29 h THR 55 Cb 0.98 0.69 -0.15 0.00 -1.74 0.00 0.00 68.15 67.93 3d29 h THR 55 CO 0.92 0.00 0.62 -0.94 0.37 0.00 0.00 175.52 176.50 3d29 s SER 56 N -5.99 -0.24 0.64 4.18 1.04 -1.26 -5.00 113.70 107.07 3d29 s SER 56 Ca -0.05 -0.06 0.43 0.00 0.48 0.00 0.00 55.95 56.75 3d29 s SER 56 Cb 0.19 0.30 2.31 0.00 0.10 0.00 0.00 66.02 68.93 3d29 s SER 56 CO 0.72 -0.51 2.31 0.11 0.98 0.00 0.00 173.24 176.85 3d29 h LYS 57 N 2.00 0.00 0.00 4.02 1.79 -2.03 -2.62 116.57 119.73 3d29 h LYS 57 Ca -0.19 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.25 3d29 h LYS 57 Cb 1.21 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.86 3d29 h LYS 57 CO 0.27 0.00 -0.13 -0.07 -1.08 0.00 0.00 179.45 178.45 3d29 h LEU 58 N 0.00 0.00 -9.32 2.94 3.38 -1.98 -3.43 115.31 106.91 3d29 h LEU 58 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 3d29 h LEU 58 Cb 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3d29 h LEU 58 CO 0.00 0.13 0.96 -0.76 0.09 0.00 0.00 178.44 178.86 3d29 s LEU 59 N -7.54 4.31 0.05 1.67 1.02 -0.99 -4.93 118.68 112.27 3d29 s LEU 59 Ca -0.03 2.18 -0.30 0.00 0.02 0.00 0.00 54.13 55.99 3d29 s LEU 59 Cb 0.14 -3.55 -0.08 0.00 0.02 0.00 0.00 46.19 42.72 3d29 s LEU 59 CO 0.60 -0.83 1.76 -0.69 0.02 0.00 0.00 176.35 177.22 3d29 s VAL 60 N 3.17 3.05 0.36 -1.59 1.01 -1.26 -4.91 120.40 120.24 3d29 s VAL 60 Ca 0.68 0.34 -0.28 0.00 0.00 0.00 0.00 61.98 62.72 3d29 s VAL 60 Cb -0.32 -3.22 -0.11 0.00 0.00 0.00 0.00 36.38 32.73 3d29 s VAL 60 CO 0.27 -0.01 1.48 -2.65 0.00 0.00 0.00 175.10 174.19 3d29 n PRO 61 N 6.42 2.62 -1.00 2.72 -0.02 -1.26 -2.36 135.00 142.12 3d29 n PRO 61 Ca 0.17 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.57 3d29 n PRO 61 Cb 0.41 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 3d29 n PRO 61 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3d29 n GLN 62 N 0.64 -1.10 -0.09 -0.52 1.13 -1.26 -4.90 117.38 111.28 3d29 n GLN 62 Ca 0.02 0.28 -0.09 0.00 -1.94 0.00 0.00 57.00 55.27 3d29 n GLN 62 Cb 0.38 -4.10 -0.16 0.00 0.11 0.00 0.00 30.24 26.47 3d29 n GLN 62 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3d29 n LYS 63 N -0.79 0.69 -2.88 -1.09 4.76 -0.99 -4.67 118.16 113.17 3d29 n LYS 63 Ca 0.00 -0.01 -0.43 0.00 -2.87 0.00 0.00 58.31 55.00 3d29 n LYS 63 Cb 0.28 -1.53 0.01 0.00 -1.84 0.00 0.00 35.03 31.95 3d29 n LYS 63 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3d29 n ASN 64 N -2.73 6.58 -4.65 4.39 3.02 -1.26 -5.01 115.26 115.60 3d29 n ASN 64 Ca -0.31 -3.45 -0.51 0.00 -0.03 0.00 0.00 54.58 50.29 3d29 n ASN 64 Cb 1.12 -1.26 -0.05 0.00 -0.61 0.00 0.00 39.78 38.97 3d29 n ASN 64 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3d29 n VAL 65 N 1.15 0.15 -0.11 2.41 0.31 -1.26 -4.94 118.33 116.04 3d29 n VAL 65 Ca 0.31 -0.03 -0.25 0.00 -0.01 0.00 0.00 64.34 64.37 3d29 n VAL 65 Cb 0.32 -1.27 -0.11 0.00 -0.91 0.00 0.00 33.84 31.86 3d29 n VAL 65 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3d29 n LYS 66 N 3.94 0.59 -1.81 5.55 5.02 -1.26 -4.94 118.16 125.25 3d29 n LYS 66 Ca 0.20 0.42 -0.41 0.00 -2.02 0.00 0.00 58.31 56.50 3d29 n LYS 66 Cb 0.23 -1.64 -0.01 0.00 -0.02 0.00 0.00 35.03 33.59 3d29 n LYS 66 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3d29 s ILE 67 N -2.44 2.09 0.06 -0.18 1.01 -1.26 -4.88 121.20 115.60 3d29 s ILE 67 Ca -0.32 0.09 0.07 0.00 0.00 0.00 0.00 60.65 60.49 3d29 s ILE 67 Cb 0.09 -3.06 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 3d29 s ILE 67 CO 0.57 0.02 -0.20 -1.10 0.00 0.00 0.00 174.94 174.23 3d29 s GLN 68 N -1.73 1.26 -0.03 2.79 -0.21 0.12 -4.96 119.66 116.90 3d29 s GLN 68 Ca 0.55 -0.98 -0.03 0.00 0.02 0.00 0.00 55.36 54.92 3d29 s GLN 68 Cb -0.46 -1.40 -0.04 0.00 1.00 0.00 0.00 33.01 32.10 3d29 s GLN 68 CO 0.59 0.35 0.14 0.54 -2.12 0.00 0.00 175.29 174.79 3d29 s VAL 69 N -0.90 5.21 -0.12 1.09 0.11 -1.26 0.53 120.40 125.06 3d29 s VAL 69 Ca 0.06 -0.15 0.03 0.00 -2.93 0.00 0.00 61.98 58.99 3d29 s VAL 69 Cb -0.09 -3.38 0.00 0.00 -1.53 0.00 0.00 36.38 31.38 3d29 s VAL 69 CO 0.02 0.41 -0.22 -0.69 -3.33 0.00 0.00 175.10 171.28 3d29 s VAL 70 N -1.21 2.15 0.00 2.04 1.01 -0.17 -4.96 120.40 119.26 3d29 s VAL 70 Ca 0.23 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.23 3d29 s VAL 70 Cb -0.12 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.42 3d29 s VAL 70 CO 0.14 0.55 0.00 -0.67 0.00 0.00 0.00 175.10 175.12 3d29 n ASP 71 N 3.70 0.00 0.00 3.32 2.03 -1.26 -2.39 116.55 121.94 3d29 n ASP 71 Ca -0.19 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.12 3d29 n ASP 71 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 3d29 n ASP 71 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3d29 n ARG 72 N 14.00 4.83 -0.04 -0.67 1.74 -1.26 -4.79 116.66 130.47 3d29 n ARG 72 Ca 0.00 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.11 3d29 n ARG 72 Cb 0.00 -0.45 0.05 0.00 -1.02 0.00 0.00 32.46 31.04 3d29 n ARG 72 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 3d29 n HIS 73 N -0.82 0.10 -5.29 -1.55 1.44 -1.24 -1.03 115.22 106.83 3d29 n HIS 73 Ca 0.00 -0.18 -0.31 0.00 -2.01 0.00 0.00 57.72 55.22 3d29 n HIS 73 Cb 0.00 -0.01 -0.16 0.00 0.12 0.00 0.00 29.99 29.94 3d29 n HIS 73 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3d29 s ILE 74 N -0.72 2.05 0.02 0.61 1.01 -1.01 -3.83 121.20 119.33 3d29 s ILE 74 Ca 0.10 -1.09 0.06 0.00 0.00 0.00 0.00 60.65 59.72 3d29 s ILE 74 Cb 0.06 -1.72 -0.03 0.00 0.01 0.00 0.00 42.46 40.79 3d29 s ILE 74 CO 0.09 0.58 -0.15 -0.83 0.00 0.00 0.00 174.94 174.63 3d29 s GLY 75 N -0.41 1.61 -0.03 6.18 0.00 -0.24 -1.00 107.32 113.43 3d29 s GLY 75 Ca 0.04 -1.12 0.01 0.00 0.00 0.00 0.00 44.72 43.65 3d29 s GLY 75 CO 0.01 -0.99 -0.03 0.00 0.00 0.00 0.00 173.10 172.09 3d29 s VAL 77 N 0.68 0.07 0.13 0.00 0.11 0.14 0.16 120.40 121.69 3d29 s VAL 77 Ca -0.08 -0.54 -0.12 0.00 -2.93 0.00 0.00 61.98 58.31 3d29 s VAL 77 Cb -0.11 -0.24 0.01 0.00 -1.53 0.00 0.00 36.38 34.52 3d29 s VAL 77 CO -0.01 -0.30 0.32 -0.72 -3.33 0.00 0.00 175.10 171.07 3d29 s TYR 78 N -0.92 0.05 -0.01 1.54 -0.85 -1.26 0.39 117.35 116.29 3d29 s TYR 78 Ca -0.10 -0.42 0.06 0.00 -0.52 0.00 0.00 57.07 56.09 3d29 s TYR 78 Cb -0.06 0.11 -0.02 0.00 0.38 0.00 0.00 41.96 42.37 3d29 s TYR 78 CO -0.00 -0.68 -0.19 -1.12 -1.52 0.00 0.00 175.55 172.03 3d29 s SER 79 N -2.87 2.27 0.00 -0.18 0.01 -0.89 -4.94 113.70 107.10 3d29 s SER 79 Ca 0.08 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 56.98 3d29 s SER 79 Cb 0.03 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.01 3d29 s SER 79 CO -0.08 0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.42 3d29 n GLY 80 N 2.57 0.22 3.55 3.44 0.00 -1.26 -2.45 105.19 111.27 3d29 n GLY 80 Ca -0.15 -1.50 -0.40 0.00 0.00 0.00 0.00 46.02 43.97 3d29 n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d29 s LEU 81 N 0.00 3.24 0.22 0.99 1.43 0.08 -4.87 118.68 119.77 3d29 s LEU 81 Ca 0.00 -0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 52.95 3d29 s LEU 81 Cb 0.00 -2.61 0.30 0.00 0.03 0.00 0.00 46.19 43.91 3d29 s LEU 81 CO 0.00 -2.04 1.65 0.40 0.23 0.00 0.00 176.35 176.59 3d29 h ILE 82 N 6.42 0.46 -0.91 -0.59 1.08 -1.93 0.85 117.51 122.88 3d29 h ILE 82 Ca -0.27 -0.03 0.10 0.00 -0.39 0.00 0.00 64.86 64.27 3d29 h ILE 82 Cb 1.10 0.36 -0.07 0.00 -3.07 0.00 0.00 36.82 35.14 3d29 h ILE 82 CO 1.24 0.02 0.59 -0.65 -0.69 0.00 0.00 178.15 178.66 3d29 h PRO 83 N 0.09 0.88 -0.40 2.37 0.11 -1.99 0.16 132.00 133.23 3d29 h PRO 83 Ca 0.33 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.33 3d29 h PRO 83 Cb 0.53 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.42 3d29 h PRO 83 CO -0.56 0.58 0.00 -0.44 -0.21 0.00 0.00 178.00 177.37 3d29 h ASP 84 N 0.90 0.59 -0.29 -2.05 3.45 -1.24 -2.03 116.42 115.76 3d29 h ASP 84 Ca 0.43 -0.12 -0.03 0.00 0.43 0.00 0.00 57.03 57.74 3d29 h ASP 84 Cb 0.42 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.02 3d29 h ASP 84 CO -0.19 0.66 0.07 1.23 -1.57 0.00 0.00 179.24 179.45 3d29 h GLY 85 N 0.90 0.49 1.00 2.75 0.00 0.04 -1.85 103.07 106.39 3d29 h GLY 85 Ca 0.12 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.15 3d29 h GLY 85 CO 0.01 0.28 0.36 3.21 0.00 0.00 0.00 176.54 180.41 3d29 h ARG 86 N 0.30 0.77 -0.47 4.80 3.08 -0.97 -1.80 114.38 120.09 3d29 h ARG 86 Ca 0.09 -0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.16 3d29 h ARG 86 Cb 0.28 -0.17 -0.07 0.00 0.08 0.00 0.00 29.97 30.09 3d29 h ARG 86 CO 0.00 0.54 0.07 1.25 -1.07 0.00 0.00 179.97 180.76 3d29 h HIS 87 N 0.78 0.11 -0.40 3.04 2.76 -1.17 0.30 115.15 120.57 3d29 h HIS 87 Ca 0.21 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.37 3d29 h HIS 87 Cb -0.05 0.02 -0.02 0.00 1.55 0.00 0.00 27.41 28.92 3d29 h HIS 87 CO -0.03 -0.03 0.08 1.25 -1.30 0.00 0.00 177.93 177.91 3d29 h LEU 88 N 0.20 0.55 -0.58 0.26 5.85 -0.85 -2.37 115.31 118.37 3d29 h LEU 88 Ca 0.24 -0.08 -0.15 0.00 0.84 0.00 0.00 57.88 58.72 3d29 h LEU 88 Cb 0.32 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3d29 h LEU 88 CO -0.33 0.56 -0.54 0.58 -0.34 0.00 0.00 178.44 178.38 3d29 h VAL 89 N 0.58 1.33 -0.79 1.05 2.07 -0.41 -1.13 116.25 118.95 3d29 h VAL 89 Ca 0.13 -1.79 -0.03 0.00 0.82 0.00 0.00 66.70 65.84 3d29 h VAL 89 Cb 0.24 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 3d29 h VAL 89 CO -0.00 0.55 0.40 0.78 0.02 0.00 0.00 177.57 179.32 3d29 h ASN 90 N 0.38 1.02 -0.38 0.57 -0.26 -0.63 0.12 115.58 116.40 3d29 h ASN 90 Ca 0.01 -0.12 -0.09 0.00 -0.56 0.00 0.00 56.30 55.53 3d29 h ASN 90 Cb 1.06 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 38.04 3d29 h ASN 90 CO 0.10 0.86 -0.10 -0.09 -1.06 0.00 0.00 177.43 177.14 3d29 h ARG 91 N 1.12 0.82 -0.54 0.81 9.65 -1.15 -2.40 114.38 122.69 3d29 h ARG 91 Ca 0.27 -0.27 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 3d29 h ARG 91 Cb 0.10 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.58 3d29 h ARG 91 CO -0.04 0.89 0.21 0.78 2.80 0.00 0.00 179.97 184.61 3d29 h GLY 92 N 0.97 0.87 1.00 2.80 0.00 -0.35 0.65 103.07 109.00 3d29 h GLY 92 Ca 0.13 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 3d29 h GLY 92 CO 0.04 0.45 0.35 3.21 0.00 0.00 0.00 176.54 180.58 3d29 h ARG 93 N 0.73 0.90 -0.37 4.80 3.08 -0.62 0.42 114.38 123.32 3d29 h ARG 93 Ca 0.18 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 3d29 h ARG 93 Cb 0.21 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3d29 h ARG 93 CO -0.01 0.69 0.03 0.93 -1.07 0.00 0.00 179.97 180.54 3d29 h GLU 94 N 0.88 0.63 -0.47 0.04 5.08 -1.28 0.56 114.58 120.02 3d29 h GLU 94 Ca 0.23 -0.19 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 3d29 h GLU 94 Cb 0.05 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 3d29 h GLU 94 CO -0.04 0.72 0.24 1.49 -1.00 0.00 0.00 179.01 180.42 3d29 h GLU 95 N 0.46 0.45 -0.45 2.33 4.57 -0.38 0.41 114.58 121.98 3d29 h GLU 95 Ca 0.11 -0.03 -0.13 0.00 -1.18 0.00 0.00 59.36 58.13 3d29 h GLU 95 Cb 0.41 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 3d29 h GLU 95 CO 0.01 0.30 -0.24 0.00 -1.18 0.00 0.00 179.01 177.91 3d29 h ALA 96 N 1.25 0.72 -0.54 2.92 0.00 0.05 -2.44 119.26 121.23 3d29 h ALA 96 Ca 0.21 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3d29 h ALA 96 Cb 0.11 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3d29 h ALA 96 CO -0.15 0.67 0.23 0.00 0.00 0.00 0.00 179.25 180.00 3d29 h ALA 97 N 0.91 0.70 -0.65 0.00 0.00 -0.34 -1.87 119.26 118.01 3d29 h ALA 97 Ca 0.10 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3d29 h ALA 97 Cb 0.80 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3d29 h ALA 97 CO 0.07 0.30 0.17 1.03 0.00 0.00 0.00 179.25 180.81 3d29 h SER 98 N 0.73 0.95 -0.26 0.00 0.87 -0.85 -1.43 113.55 113.56 3d29 h SER 98 Ca 0.18 -0.18 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 3d29 h SER 98 Cb 0.18 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 3d29 h SER 98 CO -0.02 0.91 0.01 0.15 -0.53 0.00 0.00 176.83 177.35 3d29 h PHE 99 N 0.97 0.49 -0.38 2.24 3.04 -1.23 -3.08 116.94 118.99 3d29 h PHE 99 Ca 0.21 -0.08 -0.05 0.00 3.98 0.00 0.00 57.97 62.02 3d29 h PHE 99 Cb 0.33 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.69 3d29 h PHE 99 CO 0.02 0.60 0.03 -0.22 -2.02 0.00 0.00 178.31 176.73 3d29 h LYS 100 N 0.24 0.65 -1.00 1.11 3.64 -1.22 -0.89 116.57 119.11 3d29 h LYS 100 Ca 0.07 -0.19 0.15 0.00 -1.27 0.00 0.00 60.65 59.42 3d29 h LYS 100 Cb 0.40 -0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 32.05 3d29 h LYS 100 CO 0.01 0.73 0.62 -0.22 -2.27 0.00 0.00 179.45 178.32 3d29 h LYS 101 N 0.48 0.86 0.11 1.90 3.64 -1.26 0.84 116.57 123.14 3d29 h LYS 101 Ca 0.11 -0.05 -0.35 0.00 -1.27 0.00 0.00 60.65 59.09 3d29 h LYS 101 Cb 0.41 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 3d29 h LYS 101 CO 0.01 0.57 -1.92 -0.11 -2.27 0.00 0.00 179.45 175.73 3d29 n LEU 102 N -4.69 2.56 -0.74 5.20 7.94 -1.16 -4.41 117.00 121.69 3d29 n LEU 102 Ca 0.21 0.24 0.12 0.00 -1.11 0.00 0.00 56.01 55.46 3d29 n LEU 102 Cb 0.46 -1.11 0.11 0.00 0.53 0.00 0.00 43.42 43.40 3d29 n LEU 102 CO 0.24 0.79 0.54 -1.22 -1.11 0.00 0.00 177.39 176.63 3d29 n TYR 103 N -3.59 0.00 0.00 1.96 4.01 -0.35 -4.98 117.16 114.21 3d29 n TYR 103 Ca -0.32 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.42 3d29 n TYR 103 Cb 1.01 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 40.03 3d29 n TYR 103 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 3d29 n LYS 104 N 0.71 0.00 -2.20 -0.72 3.00 0.29 -4.92 118.16 114.32 3d29 n LYS 104 Ca 0.13 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 58.02 3d29 n LYS 104 Cb 0.53 -0.02 -0.03 0.00 0.00 0.00 0.00 35.03 35.51 3d29 n LYS 104 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 3d29 s THR 105 N 0.00 3.15 0.52 3.15 -1.32 -1.26 -4.83 115.64 115.04 3d29 s THR 105 Ca 0.00 0.96 -0.22 0.00 -1.21 0.00 0.00 61.69 61.22 3d29 s THR 105 Cb 0.00 -3.61 -0.07 0.00 -1.51 0.00 0.00 72.50 67.31 3d29 s THR 105 CO 0.00 0.15 1.14 -0.81 -2.21 0.00 0.00 174.62 172.89 3d29 n PRO 106 N 2.52 1.40 -1.69 7.08 -0.04 -1.26 -4.33 135.00 138.67 3d29 n PRO 106 Ca 0.06 0.51 -0.42 0.00 -0.04 0.00 0.00 63.50 63.61 3d29 n PRO 106 Cb 0.43 -2.30 -0.03 0.00 -0.04 0.00 0.00 33.50 31.55 3d29 n PRO 106 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3d29 n ILE 107 N -1.03 0.38 -1.81 0.52 3.06 -1.26 -4.95 119.36 114.27 3d29 n ILE 107 Ca 0.11 -0.07 -0.40 0.00 -2.50 0.00 0.00 62.75 59.89 3d29 n ILE 107 Cb 0.44 -2.16 0.01 0.00 0.54 0.00 0.00 39.64 38.47 3d29 n ILE 107 CO 0.00 0.00 0.00 -2.84 -2.50 0.00 0.00 176.55 171.21 3d29 s PRO 108 N 2.77 3.75 0.22 9.51 0.02 -1.26 -4.78 135.00 145.22 3d29 s PRO 108 Ca 0.82 2.43 -0.08 0.00 0.02 0.00 0.00 61.00 64.18 3d29 s PRO 108 Cb -0.47 -2.70 0.30 0.00 0.02 0.00 0.00 34.50 31.65 3d29 s PRO 108 CO 0.37 -0.77 1.78 0.82 -0.33 0.00 0.00 177.00 178.87 3d29 h ILE 109 N 2.39 0.87 -0.94 2.83 1.08 -1.91 -0.64 117.51 121.19 3d29 h ILE 109 Ca -0.51 -0.21 0.05 0.00 -0.39 0.00 0.00 64.86 63.80 3d29 h ILE 109 Cb 1.26 0.22 -0.06 0.00 -3.07 0.00 0.00 36.82 35.17 3d29 h ILE 109 CO 0.61 0.11 0.61 -0.65 -0.69 0.00 0.00 178.15 178.14 3d29 h PRO 110 N 0.60 1.11 -0.30 2.37 0.11 -1.98 0.13 132.00 134.03 3d29 h PRO 110 Ca 0.33 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 66.25 3d29 h PRO 110 Cb 0.31 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 3d29 h PRO 110 CO -0.25 0.73 -0.31 0.00 -0.21 0.00 0.00 178.00 177.96 3d29 h ALA 111 N 1.41 0.88 -0.51 -0.75 0.00 -1.65 -2.59 119.26 116.06 3d29 h ALA 111 Ca 0.39 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3d29 h ALA 111 Cb 0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3d29 h ALA 111 CO -0.14 0.63 0.17 0.35 0.00 0.00 0.00 179.25 180.26 3d29 h PHE 112 N 0.55 0.80 -0.23 0.00 3.57 -0.37 -2.05 116.94 119.21 3d29 h PHE 112 Ca 0.06 -0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.54 3d29 h PHE 112 Cb 0.81 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 39.27 3d29 h PHE 112 CO 0.04 0.68 -0.08 0.00 -2.23 0.00 0.00 178.31 176.72 3d29 h ALA 113 N 1.03 0.12 0.00 2.41 0.00 -0.69 -0.78 119.26 121.35 3d29 h ALA 113 Ca 0.17 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3d29 h ALA 113 Cb 0.25 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3d29 h ALA 113 CO -0.01 -0.49 -0.19 0.22 0.00 0.00 0.00 179.25 178.78 3d29 h ASP 114 N -0.03 0.00 -0.22 0.00 -0.00 -1.33 0.11 116.42 114.95 3d29 h ASP 114 Ca 0.12 0.00 -0.03 0.00 -0.00 0.00 0.00 57.03 57.11 3d29 h ASP 114 Cb 0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.53 3d29 h ASP 114 CO -0.25 0.19 0.01 0.03 -0.00 0.00 0.00 179.24 179.22 3d29 h ARG 115 N 0.00 0.39 -0.53 0.28 2.47 -0.44 -0.45 114.38 116.09 3d29 h ARG 115 Ca -0.00 -0.12 -0.10 0.00 -1.26 0.00 0.00 59.98 58.50 3d29 h ARG 115 Cb 0.42 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.68 3d29 h ARG 115 CO 0.03 0.56 -0.06 -0.07 0.56 0.00 0.00 179.97 180.99 3d29 h LEU 116 N 0.16 0.93 -0.07 3.04 3.38 -0.74 -3.00 115.31 119.01 3d29 h LEU 116 Ca 0.06 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.77 3d29 h LEU 116 Cb 0.39 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3d29 h LEU 116 CO 0.01 1.02 0.01 1.23 0.09 0.00 0.00 178.44 180.80 3d29 h GLY 117 N 0.98 0.07 1.32 0.83 0.00 -0.54 -0.76 103.07 104.97 3d29 h GLY 117 Ca 0.15 -0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.44 3d29 h GLY 117 CO 0.04 -0.00 0.22 1.46 0.00 0.00 0.00 176.54 178.26 3d29 h GLN 118 N 0.04 0.87 -0.20 4.80 1.08 -1.09 0.30 115.11 120.91 3d29 h GLN 118 Ca 0.03 -0.14 -0.04 0.00 -1.45 0.00 0.00 58.65 57.05 3d29 h GLN 118 Cb 0.03 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.30 3d29 h GLN 118 CO -0.04 0.73 -0.02 -0.92 -0.95 0.00 0.00 178.83 177.63 3d29 h TYR 119 N 0.86 0.40 -0.42 2.96 3.20 -1.35 0.06 116.97 122.67 3d29 h TYR 119 Ca 0.20 -0.08 -0.11 0.00 3.14 0.00 0.00 58.73 61.88 3d29 h TYR 119 Cb 0.19 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 3d29 h TYR 119 CO 0.01 0.58 -0.19 0.28 -1.64 0.00 0.00 178.16 177.20 3d29 h VAL 120 N 0.11 1.27 -0.41 1.81 2.07 -0.89 -2.44 116.25 117.77 3d29 h VAL 120 Ca 0.05 -1.30 -0.06 0.00 0.82 0.00 0.00 66.70 66.21 3d29 h VAL 120 Cb 0.43 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3d29 h VAL 120 CO 0.01 0.44 0.02 -0.61 0.02 0.00 0.00 177.57 177.45 3d29 h GLN 121 N 0.72 0.64 -0.08 1.57 -0.00 -0.80 -2.20 115.11 114.97 3d29 h GLN 121 Ca 0.10 -0.15 0.02 0.00 -0.00 0.00 0.00 58.65 58.63 3d29 h GLN 121 Cb 0.71 -0.09 -0.00 0.00 0.00 0.00 0.00 27.48 28.10 3d29 h GLN 121 CO 0.05 0.65 0.06 0.00 0.00 0.00 0.00 178.83 179.59 3d29 h ALA 122 N 1.41 2.04 -0.05 3.38 0.00 -0.48 -1.53 119.26 124.03 3d29 h ALA 122 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3d29 h ALA 122 Cb 0.36 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3d29 h ALA 122 CO 0.01 -0.10 0.00 0.72 0.00 0.00 0.00 179.25 179.88 3d29 n HIS 123 N -4.47 0.18 -0.41 0.00 8.25 -0.83 -2.52 115.22 115.43 3d29 n HIS 123 Ca -0.01 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 3d29 n HIS 123 Cb 0.17 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.15 3d29 n HIS 123 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3d29 n THR 124 N 0.02 0.51 0.43 1.59 -2.24 -0.58 -3.44 114.28 110.57 3d29 n THR 124 Ca 0.02 -0.55 0.11 0.00 -2.27 0.00 0.00 64.05 61.36 3d29 n THR 124 Cb 0.31 0.80 -0.14 0.00 -2.10 0.00 0.00 70.33 69.19 3d29 n THR 124 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3d29 n LEU 125 N -0.25 0.44 -4.11 3.22 4.77 -1.05 -4.40 117.00 115.61 3d29 n LEU 125 Ca 0.00 -0.21 -0.13 0.00 -0.03 0.00 0.00 56.01 55.65 3d29 n LEU 125 Cb 0.32 -0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.30 3d29 n LEU 125 CO 0.00 0.10 -0.40 -0.31 -1.33 0.00 0.00 177.39 175.45 3d29 s TYR 126 N -3.29 0.81 -1.50 -1.77 2.02 -1.26 -4.76 117.35 107.59 3d29 s TYR 126 Ca -0.01 -0.64 0.28 0.00 -0.37 0.00 0.00 57.07 56.32 3d29 s TYR 126 Cb 0.15 -0.47 0.98 0.00 -0.40 0.00 0.00 41.96 42.22 3d29 s TYR 126 CO 0.89 -0.09 1.71 0.27 -1.57 0.00 0.00 175.55 176.77 3d29 n ASN 127 N 0.90 0.57 -0.12 2.29 2.04 -1.26 -3.48 115.26 116.21 3d29 n ASN 127 Ca -0.19 -0.50 0.14 0.00 -0.44 0.00 0.00 54.58 53.60 3d29 n ASN 127 Cb 0.57 -0.01 0.66 0.00 -2.53 0.00 0.00 39.78 38.47 3d29 n ASN 127 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 3d29 n SER 128 N -1.02 0.44 -4.28 0.53 3.41 -1.26 -4.70 113.62 106.74 3d29 n SER 128 Ca 0.12 -0.65 -0.15 0.00 -0.26 0.00 0.00 58.87 57.93 3d29 n SER 128 Cb 0.31 -0.08 -0.10 0.00 -0.26 0.00 0.00 64.21 64.08 3d29 n SER 128 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3d29 s VAL 129 N -2.40 1.05 -0.00 -3.33 -7.23 -1.23 -5.15 120.40 102.11 3d29 s VAL 129 Ca 0.32 -2.04 0.03 0.00 -1.81 0.00 0.00 61.98 58.47 3d29 s VAL 129 Cb 0.20 -2.09 -0.03 0.00 0.56 0.00 0.00 36.38 35.02 3d29 s VAL 129 CO 0.45 -0.53 -0.05 -0.60 -0.31 0.00 0.00 175.10 174.06 3d29 s ARG 130 N -3.82 2.62 0.78 4.82 3.52 -1.26 -4.80 118.95 120.82 3d29 s ARG 130 Ca 0.23 -0.68 -0.12 0.00 -0.13 0.00 0.00 55.73 55.03 3d29 s ARG 130 Cb 0.04 -2.55 0.07 0.00 -1.56 0.00 0.00 34.95 30.95 3d29 s ARG 130 CO 0.04 0.61 1.12 -2.14 -0.81 0.00 0.00 175.30 174.13 3d29 s PRO 131 N -1.39 2.04 0.28 5.12 0.02 -1.22 -4.92 135.00 134.92 3d29 s PRO 131 Ca 0.17 1.36 -0.29 0.00 0.02 0.00 0.00 61.00 62.26 3d29 s PRO 131 Cb -0.11 -1.86 -0.10 0.00 0.02 0.00 0.00 34.50 32.45 3d29 s PRO 131 CO 0.07 -1.84 1.28 -0.06 -0.33 0.00 0.00 177.00 176.13 3d29 s PHE 132 N -2.65 3.20 -0.60 6.54 0.40 -1.26 -4.92 117.98 118.68 3d29 s PHE 132 Ca 0.65 1.37 -0.02 0.00 -0.60 0.00 0.00 56.93 58.33 3d29 s PHE 132 Cb -0.20 -3.60 0.33 0.00 0.51 0.00 0.00 43.02 40.05 3d29 s PHE 132 CO 0.53 -1.71 2.12 0.41 0.70 0.00 0.00 175.22 177.27 3d29 n GLY 133 N 1.44 5.22 3.27 4.36 0.00 -1.26 -4.55 105.19 113.67 3d29 n GLY 133 Ca 0.02 -2.02 -0.12 0.00 0.00 0.00 0.00 46.02 43.91 3d29 n GLY 133 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3d29 s VAL 134 N -3.99 0.08 -0.07 1.61 -7.23 -1.26 -0.74 120.40 108.81 3d29 s VAL 134 Ca 0.54 -0.66 0.04 0.00 -1.81 0.00 0.00 61.98 60.09 3d29 s VAL 134 Cb 0.42 -0.98 -0.02 0.00 0.56 0.00 0.00 36.38 36.36 3d29 s VAL 134 CO -0.12 -0.36 -0.20 -0.44 -0.31 0.00 0.00 175.10 173.67 3d29 s SER 135 N -2.16 3.52 -0.05 4.85 0.01 -1.02 -3.79 113.70 115.05 3d29 s SER 135 Ca -0.04 -0.39 0.06 0.00 1.31 0.00 0.00 55.95 56.89 3d29 s SER 135 Cb -0.00 -0.98 -0.01 0.00 0.21 0.00 0.00 66.02 65.24 3d29 s SER 135 CO -0.04 0.26 -0.23 -0.89 0.41 0.00 0.00 173.24 172.75 3d29 s THR 136 N -0.23 1.85 -0.20 1.44 2.01 0.19 -2.10 115.64 118.61 3d29 s THR 136 Ca -0.01 -0.96 -0.05 0.00 0.31 0.00 0.00 61.69 60.99 3d29 s THR 136 Cb -0.13 -1.57 -0.02 0.00 0.01 0.00 0.00 72.50 70.78 3d29 s THR 136 CO 0.03 0.52 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.84 3d29 s ILE 137 N -0.14 3.84 0.20 1.82 1.01 0.16 0.07 121.20 128.15 3d29 s ILE 137 Ca -0.02 -0.35 -0.16 0.00 0.00 0.00 0.00 60.65 60.12 3d29 s ILE 137 Cb -0.13 -2.73 0.02 0.00 0.01 0.00 0.00 42.46 39.63 3d29 s ILE 137 CO 0.03 0.44 0.49 0.72 0.00 0.00 0.00 174.94 176.61 3d29 s PHE 138 N 0.99 0.02 -3.55 3.97 -0.12 -0.07 -0.68 117.98 118.53 3d29 s PHE 138 Ca 0.01 -0.38 0.00 0.00 -0.05 0.00 0.00 56.93 56.52 3d29 s PHE 138 Cb -0.14 0.31 0.00 0.00 -0.63 0.00 0.00 43.02 42.55 3d29 s PHE 138 CO 0.01 -0.91 0.00 0.41 -0.05 0.00 0.00 175.22 174.69 3d29 n GLY 139 N -0.33 -2.11 0.00 1.99 0.00 -0.74 -0.48 105.19 103.52 3d29 n GLY 139 Ca -0.08 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.74 3d29 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d29 n GLY 140 N -0.51 0.57 3.48 -0.02 0.00 -0.84 -1.08 105.19 106.80 3d29 n GLY 140 Ca 0.00 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 3d29 n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d29 s VAL 141 N -2.04 3.31 0.00 1.61 1.01 -1.25 -1.18 120.40 121.86 3d29 s VAL 141 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.37 3d29 s VAL 141 Cb 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 34.03 3d29 s VAL 141 CO 0.00 0.57 0.00 -0.90 0.00 0.00 0.00 175.10 174.77 3d29 n ASP 142 N 2.67 0.14 -0.34 3.32 3.85 0.59 -4.91 116.55 121.86 3d29 n ASP 142 Ca -0.18 -0.43 0.27 0.00 -0.71 0.00 0.00 54.79 53.74 3d29 n ASP 142 Cb 0.53 0.00 0.56 0.00 -1.35 0.00 0.00 41.12 40.85 3d29 n ASP 142 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.20 176.69 3d29 h LYS 143 N 0.00 0.29 -0.83 0.11 3.64 -1.98 -2.41 116.57 115.39 3d29 h LYS 143 Ca 0.00 -0.02 -0.58 0.00 -1.27 0.00 0.00 60.65 58.78 3d29 h LYS 143 Cb 0.00 -0.06 -0.39 0.00 -0.41 0.00 0.00 32.23 31.36 3d29 h LYS 143 CO 0.00 0.19 -0.39 0.09 -2.27 0.00 0.00 179.45 177.07 3d29 n ASN 144 N -4.60 5.62 0.00 4.20 4.13 -1.26 -5.09 115.26 118.27 3d29 n ASN 144 Ca 0.28 -3.76 0.00 0.00 1.68 0.00 0.00 54.58 52.78 3d29 n ASN 144 Cb 1.02 -0.50 0.00 0.00 -1.54 0.00 0.00 39.78 38.76 3d29 n ASN 144 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3d29 n GLY 145 N -0.76 -1.53 3.94 7.41 0.00 -0.91 -4.99 105.19 108.35 3d29 n GLY 145 Ca 0.49 -2.06 -0.26 0.00 0.00 0.00 0.00 46.02 44.18 3d29 n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d29 s ALA 146 N -2.00 3.90 -0.11 4.61 0.00 -1.26 -0.30 121.76 126.60 3d29 s ALA 146 Ca 0.00 -0.94 -0.08 0.00 0.00 0.00 0.00 51.96 50.94 3d29 s ALA 146 Cb 0.00 -1.88 0.04 0.00 0.00 0.00 0.00 23.12 21.27 3d29 s ALA 146 CO 0.00 0.47 0.28 -1.01 0.00 0.00 0.00 175.76 175.50 3d29 s HIS 147 N -1.82 -0.34 -0.06 0.00 4.02 -0.33 -4.97 115.29 111.79 3d29 s HIS 147 Ca 0.36 0.81 0.04 0.00 1.02 0.00 0.00 55.06 57.29 3d29 s HIS 147 Cb -0.11 0.10 -0.00 0.00 -1.02 0.00 0.00 32.58 31.55 3d29 s HIS 147 CO 0.29 -0.19 -0.19 -1.17 1.02 0.00 0.00 174.74 174.50 3d29 s LEU 148 N 0.64 1.93 0.07 0.89 2.96 -1.26 -1.98 118.68 121.92 3d29 s LEU 148 Ca -0.04 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 3d29 s LEU 148 Cb -0.05 -1.09 -0.04 0.00 0.50 0.00 0.00 46.19 45.51 3d29 s LEU 148 CO -0.04 0.15 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.78 3d29 s TYR 149 N 0.15 0.69 -0.03 5.38 2.02 0.37 -0.66 117.35 125.27 3d29 s TYR 149 Ca -0.08 -0.84 0.01 0.00 -0.37 0.00 0.00 57.07 55.79 3d29 s TYR 149 Cb -0.14 -0.43 0.02 0.00 -0.40 0.00 0.00 41.96 41.01 3d29 s TYR 149 CO 0.04 -0.20 -0.03 1.41 -1.57 0.00 0.00 175.55 175.20 3d29 s MET 150 N -3.18 0.49 -0.10 -0.62 -2.45 -1.21 -0.89 119.30 111.35 3d29 s MET 150 Ca 0.03 -0.06 0.04 0.00 -1.25 0.00 0.00 55.69 54.45 3d29 s MET 150 Cb 0.01 -0.56 0.00 0.00 1.25 0.00 0.00 34.83 35.54 3d29 s MET 150 CO -0.05 -0.04 -0.23 -1.17 1.05 0.00 0.00 175.02 174.58 3d29 s LEU 151 N 0.63 2.06 0.39 4.11 2.96 0.11 -3.32 118.68 125.62 3d29 s LEU 151 Ca -0.07 -0.55 0.03 0.00 -0.22 0.00 0.00 54.13 53.32 3d29 s LEU 151 Cb -0.10 -1.37 -0.01 0.00 0.50 0.00 0.00 46.19 45.20 3d29 s LEU 151 CO -0.01 0.14 0.57 -1.61 -1.32 0.00 0.00 176.35 174.13 3d29 s GLU 152 N 0.41 3.13 0.67 1.98 0.41 0.61 -0.63 118.70 125.28 3d29 s GLU 152 Ca -0.18 -0.69 0.41 0.00 -0.41 0.00 0.00 54.97 54.11 3d29 s GLU 152 Cb -0.18 -2.68 2.25 0.00 -1.78 0.00 0.00 34.13 31.74 3d29 s GLU 152 CO 0.08 -0.08 2.27 -1.35 -0.49 0.00 0.00 175.26 175.68 3d29 h PRO 153 N 0.65 0.00 0.00 0.39 0.11 -1.80 0.15 132.00 131.50 3d29 h PRO 153 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3d29 h PRO 153 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3d29 h PRO 153 CO 0.56 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.01 3d29 h SER 154 N 0.00 0.00 0.00 -2.05 4.64 -1.90 -3.40 113.55 110.84 3d29 h SER 154 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d29 h SER 154 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3d29 h SER 154 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3d29 n GLY 155 N 0.81 0.58 3.76 -0.77 0.00 0.52 -4.45 105.19 105.65 3d29 n GLY 155 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 3d29 n GLY 155 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3d29 s SER 156 N -2.20 7.13 -0.04 1.61 0.15 -1.25 -4.76 113.70 114.35 3d29 s SER 156 Ca 0.00 2.25 -0.28 0.00 0.70 0.00 0.00 55.95 58.62 3d29 s SER 156 Cb 0.00 -2.62 0.06 0.00 -1.71 0.00 0.00 66.02 61.75 3d29 s SER 156 CO 0.00 -0.24 0.62 -0.72 1.20 0.00 0.00 173.24 174.11 3d29 s TYR 157 N -1.25 -0.59 0.21 3.44 -0.85 -1.26 -0.28 117.35 116.77 3d29 s TYR 157 Ca 0.47 0.97 -0.10 0.00 -0.52 0.00 0.00 57.07 57.90 3d29 s TYR 157 Cb -0.31 0.37 -0.01 0.00 0.38 0.00 0.00 41.96 42.40 3d29 s TYR 157 CO 0.39 -0.59 0.35 -1.58 -1.52 0.00 0.00 175.55 172.60 3d29 s TRP 158 N -1.33 0.49 0.24 -3.49 0.52 -1.21 -5.02 118.94 109.15 3d29 s TRP 158 Ca -0.11 -0.83 -0.23 0.00 0.02 0.00 0.00 56.10 54.96 3d29 s TRP 158 Cb -0.01 -0.02 -0.09 0.00 -1.15 0.00 0.00 33.47 32.21 3d29 s TRP 158 CO 0.08 -0.83 0.81 0.20 0.02 0.00 0.00 176.95 177.23 3d29 s GLY 159 N -3.02 2.74 0.17 0.98 0.00 -1.26 -3.28 107.32 103.65 3d29 s GLY 159 Ca 0.23 0.32 0.06 0.00 0.00 0.00 0.00 44.72 45.33 3d29 s GLY 159 CO 0.06 0.73 -0.12 -0.19 0.00 0.00 0.00 173.10 173.58 3d29 s TYR 160 N -1.48 1.46 -0.12 1.90 1.51 0.17 -4.98 117.35 115.80 3d29 s TYR 160 Ca 0.44 -0.66 -0.04 0.00 -1.01 0.00 0.00 57.07 55.79 3d29 s TYR 160 Cb -0.19 -0.71 -0.26 0.00 -0.11 0.00 0.00 41.96 40.70 3d29 s TYR 160 CO 0.23 0.20 0.37 1.63 -1.11 0.00 0.00 175.55 176.87 3d29 n LYS 161 N -0.20 0.74 -3.76 -0.62 5.02 -1.26 -4.32 118.16 113.76 3d29 n LYS 161 Ca -0.10 0.26 -0.13 0.00 -2.02 0.00 0.00 58.31 56.32 3d29 n LYS 161 Cb 0.60 -1.71 -0.09 0.00 -0.02 0.00 0.00 35.03 33.81 3d29 n LYS 161 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3d29 s GLY 162 N -5.58 -0.18 -0.03 0.72 0.00 -1.26 -1.48 107.32 99.52 3d29 s GLY 162 Ca -0.21 0.50 -0.10 0.00 0.00 0.00 0.00 44.72 44.91 3d29 s GLY 162 CO 0.77 0.32 0.23 0.00 0.00 0.00 0.00 173.10 174.41 3d29 s ALA 163 N -0.87 -0.56 0.05 3.20 0.00 0.24 -4.97 121.76 118.84 3d29 s ALA 163 Ca -0.09 0.27 -0.10 0.00 0.00 0.00 0.00 51.96 52.03 3d29 s ALA 163 Cb -0.04 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.02 3d29 s ALA 163 CO 0.03 -0.20 0.22 0.00 0.00 0.00 0.00 175.76 175.81 3d29 s ALA 164 N -0.90 -0.41 0.12 0.00 0.00 -1.26 -0.12 121.76 119.18 3d29 s ALA 164 Ca -0.10 -0.26 -0.21 0.00 0.00 0.00 0.00 51.96 51.39 3d29 s ALA 164 Cb -0.05 0.31 0.05 0.00 0.00 0.00 0.00 23.12 23.44 3d29 s ALA 164 CO 0.02 -0.39 0.52 -0.08 0.00 0.00 0.00 175.76 175.83 3d29 s THR 165 N -2.70 0.03 0.00 0.00 -1.32 -0.68 -4.94 115.64 106.02 3d29 s THR 165 Ca -0.04 -0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.20 3d29 s THR 165 Cb -0.00 -1.05 0.00 0.00 -1.51 0.00 0.00 72.50 69.93 3d29 s THR 165 CO -0.05 -0.14 0.00 0.61 -2.21 0.00 0.00 174.62 172.84 3d29 n GLY 166 N -0.14 -1.32 0.37 6.08 0.00 -1.26 -1.44 105.19 107.47 3d29 n GLY 166 Ca -0.17 -2.12 -0.05 0.00 0.00 0.00 0.00 46.02 43.68 3d29 n GLY 166 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3d29 h LYS 167 N 2.21 -0.13 -1.01 1.61 1.63 -0.54 -1.70 116.57 118.64 3d29 h LYS 167 Ca 0.00 0.01 -0.49 0.00 -0.85 0.00 0.00 60.65 59.32 3d29 h LYS 167 Cb 0.00 0.03 -0.28 0.00 -0.60 0.00 0.00 32.23 31.38 3d29 h LYS 167 CO 0.00 -0.08 0.62 0.41 -3.45 0.00 0.00 179.45 176.95 3d29 n GLY 168 N -1.43 4.44 0.36 5.01 0.00 -1.26 -4.63 105.19 107.67 3d29 n GLY 168 Ca 0.05 -1.14 0.14 0.00 0.00 0.00 0.00 46.02 45.07 3d29 n GLY 168 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3d29 h ARG 169 N 1.04 0.29 -0.18 1.61 0.11 -1.54 -2.24 114.38 113.48 3d29 h ARG 169 Ca 0.57 -0.02 -0.08 0.00 0.10 0.00 0.00 59.98 60.56 3d29 h ARG 169 Cb 2.43 -0.07 -0.00 0.00 1.11 0.00 0.00 29.97 33.44 3d29 h ARG 169 CO 1.07 0.19 -0.19 1.96 0.10 0.00 0.00 179.97 183.10 3d29 h GLN 170 N 0.30 0.44 0.26 0.08 7.50 -1.84 0.09 115.11 121.94 3d29 h GLN 170 Ca 0.27 -0.24 -0.00 0.00 0.50 0.00 0.00 58.65 59.17 3d29 h GLN 170 Cb 0.64 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.18 3d29 h GLN 170 CO -0.06 0.81 -0.19 0.77 -1.50 0.00 0.00 178.83 178.66 3d29 h SER 171 N 0.09 -0.47 -0.02 1.46 0.02 -1.82 -1.08 113.55 111.73 3d29 h SER 171 Ca 0.03 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.05 3d29 h SER 171 Cb 0.74 0.15 -0.05 0.00 0.14 0.00 0.00 62.40 63.37 3d29 h SER 171 CO 0.05 -0.29 -0.36 0.00 -1.14 0.00 0.00 176.83 175.09 3d29 h ALA 172 N 0.26 -0.52 -0.97 3.77 0.00 -1.41 0.16 119.26 120.54 3d29 h ALA 172 Ca -0.02 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 54.98 3d29 h ALA 172 Cb 0.39 0.64 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 3d29 h ALA 172 CO 0.00 -0.87 0.62 0.87 0.00 0.00 0.00 179.25 179.87 3d29 h LYS 173 N -0.50 0.96 0.21 0.00 1.57 -0.84 0.40 116.57 118.37 3d29 h LYS 173 Ca 0.06 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3d29 h LYS 173 Cb 0.59 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3d29 h LYS 173 CO -0.30 0.63 -0.14 0.00 -0.57 0.00 0.00 179.45 179.07 3d29 h ALA 174 N 1.53 -0.34 -0.73 3.86 0.00 -0.13 -0.44 119.26 123.02 3d29 h ALA 174 Ca 0.47 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 3d29 h ALA 174 Cb 0.43 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 3d29 h ALA 174 CO -0.23 -0.70 0.45 0.93 0.00 0.00 0.00 179.25 179.71 3d29 h GLU 175 N -0.35 0.97 -0.71 0.00 4.39 0.50 -2.20 114.58 117.18 3d29 h GLU 175 Ca -0.02 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.55 3d29 h GLU 175 Cb 0.30 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 3d29 h GLU 175 CO 0.01 0.68 0.23 -0.07 -1.16 0.00 0.00 179.01 178.69 3d29 h LEU 176 N 0.99 1.02 -1.01 1.33 -0.00 -0.07 -2.00 115.31 115.57 3d29 h LEU 176 Ca 0.26 -0.18 -0.06 0.00 -0.00 0.00 0.00 57.88 57.90 3d29 h LEU 176 Cb -0.06 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 40.31 3d29 h LEU 176 CO -0.05 0.94 0.03 -0.33 -0.00 0.00 0.00 178.44 179.03 3d29 h GLU 177 N 1.05 0.74 0.08 1.13 5.08 -0.72 -1.70 114.58 120.24 3d29 h GLU 177 Ca 0.23 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3d29 h GLU 177 Cb 0.29 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3d29 h GLU 177 CO -0.01 0.73 -0.04 0.87 -1.00 0.00 0.00 179.01 179.57 3d29 h LYS 178 N 0.70 -0.10 -0.53 2.33 1.57 -0.85 -2.11 116.57 117.59 3d29 h LYS 178 Ca 0.14 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.02 3d29 h LYS 178 Cb 0.39 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.65 3d29 h LYS 178 CO 0.01 -0.06 0.15 -0.07 -0.57 0.00 0.00 179.45 178.90 3d29 h LEU 179 N -0.11 0.09 -0.44 2.94 3.38 -1.01 -2.30 115.31 117.86 3d29 h LEU 179 Ca -0.01 0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.11 3d29 h LEU 179 Cb 0.09 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 3d29 h LEU 179 CO 0.02 0.07 0.09 0.58 0.09 0.00 0.00 178.44 179.29 3d29 h VAL 180 N 0.30 0.77 0.00 1.22 2.07 -0.95 -1.83 116.25 117.83 3d29 h VAL 180 Ca 0.26 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.71 3d29 h VAL 180 Cb 0.33 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3d29 h VAL 180 CO -0.31 0.04 0.00 0.47 0.02 0.00 0.00 177.57 177.79 3d29 n ASP 18 N -5.10 1.49 0.00 0.57 8.00 -0.83 -3.74 116.55 116.94 3d29 n ASP 18 Ca 0.04 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.52 3d29 n ASP 18 Cb 0.21 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 3d29 n ASP 18 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3d29 n HIS 18 N 1.04 0.00 0.28 1.24 8.25 -0.69 -5.05 115.22 120.29 3d29 n HIS 18 Ca 0.00 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.63 3d29 n HIS 18 Cb 0.21 0.00 0.75 0.00 1.12 0.00 0.00 29.99 32.06 3d29 n HIS 18 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3d29 h PRO 18 N 0.00 0.00 0.00 -0.41 0.13 -1.85 -2.36 132.00 127.51 3d29 h PRO 18 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3d29 h PRO 18 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3d29 h PRO 18 CO 0.00 0.03 -0.40 -0.85 -0.23 0.00 0.00 178.00 176.55 3d29 n GLU 18 N -3.15 0.25 0.00 0.86 -0.00 -1.26 -5.05 120.64 112.29 3d29 n GLU 18 Ca -0.00 0.11 0.00 0.00 -0.00 0.00 0.00 57.16 57.27 3d29 n GLU 18 Cb 0.28 -1.70 0.00 0.00 -0.00 0.00 0.00 31.44 30.02 3d29 n GLU 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3d29 n GLY 18 N 1.35 3.01 3.53 -1.84 0.00 -0.89 -5.02 105.19 105.34 3d29 n GLY 18 Ca 0.04 -1.94 -0.29 0.00 0.00 0.00 0.00 46.02 43.84 3d29 n GLY 18 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3d29 s LEU 184 N 0.00 2.85 0.38 0.99 2.96 -1.26 -4.94 118.68 119.66 3d29 s LEU 184 Ca 0.00 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 53.38 3d29 s LEU 184 Cb 0.00 -1.63 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 3d29 s LEU 184 CO 0.00 0.15 0.59 -0.94 -1.32 0.00 0.00 176.35 174.83 3d29 s SER 185 N -2.39 6.13 0.21 3.68 1.04 -1.26 -0.24 113.70 120.88 3d29 s SER 185 Ca 0.21 0.38 -0.09 0.00 0.48 0.00 0.00 55.95 56.93 3d29 s SER 185 Cb -0.10 -1.84 0.25 0.00 0.10 0.00 0.00 66.02 64.43 3d29 s SER 185 CO 0.12 -0.43 1.81 0.00 0.98 0.00 0.00 173.24 175.72 3d29 h ALA 186 N 0.64 0.93 -0.31 5.32 0.00 -1.96 0.34 119.26 124.22 3d29 h ALA 186 Ca -0.48 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.45 3d29 h ALA 186 Cb 1.23 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3d29 h ALA 186 CO 0.60 0.07 0.19 0.00 0.00 0.00 0.00 179.25 180.11 3d29 h ARG 187 N 0.72 0.38 -0.38 0.00 -0.00 -2.00 -1.76 114.38 111.32 3d29 h ARG 187 Ca 0.31 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.98 59.70 3d29 h ARG 187 Cb 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 29.97 30.06 3d29 h ARG 187 CO -0.18 0.25 -0.01 0.93 0.00 0.00 0.00 179.97 180.96 3d29 h GLU 188 N 0.39 0.69 -0.91 0.04 4.39 -1.78 -2.94 114.58 114.46 3d29 h GLU 188 Ca 0.12 -0.22 0.07 0.00 0.34 0.00 0.00 59.36 59.67 3d29 h GLU 188 Cb -0.02 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 28.51 3d29 h GLU 188 CO -0.04 0.79 0.59 0.00 -1.16 0.00 0.00 179.01 179.19 3d29 h ALA 189 N 0.87 1.54 0.02 3.43 0.00 -0.15 -0.21 119.26 124.75 3d29 h ALA 189 Ca 0.11 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3d29 h ALA 189 Cb 0.49 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3d29 h ALA 189 CO 0.02 0.31 -0.01 0.28 0.00 0.00 0.00 179.25 179.86 3d29 h VAL 190 N 1.00 1.03 -0.09 0.00 2.07 -1.16 0.10 116.25 119.20 3d29 h VAL 190 Ca 0.40 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.79 3d29 h VAL 190 Cb 0.26 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3d29 h VAL 190 CO -0.16 0.03 0.04 0.11 0.02 0.00 0.00 177.57 177.61 3d29 h LYS 191 N -0.08 0.13 -0.63 1.57 1.57 -1.25 -2.15 116.57 115.73 3d29 h LYS 191 Ca -0.00 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 3d29 h LYS 191 Cb 0.07 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 3d29 h LYS 191 CO 0.00 0.23 0.41 0.37 -0.57 0.00 0.00 179.45 179.90 3d29 h GLN 192 N -0.00 0.72 -0.33 3.15 5.75 -0.99 -1.45 115.11 121.95 3d29 h GLN 192 Ca 0.03 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.46 3d29 h GLN 192 Cb 0.15 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 3d29 h GLN 192 CO -0.00 0.47 0.10 0.00 -2.65 0.00 0.00 178.83 176.75 3d29 h ALA 193 N 1.64 0.44 -0.83 3.38 0.00 -0.49 -0.72 119.26 122.67 3d29 h ALA 193 Ca 0.25 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3d29 h ALA 193 Cb 0.08 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 3d29 h ALA 193 CO -0.07 0.09 0.54 0.00 0.00 0.00 0.00 179.25 179.81 3d29 h ALA 194 N 0.93 1.48 0.31 0.00 0.00 -0.64 -1.65 119.26 119.69 3d29 h ALA 194 Ca 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3d29 h ALA 194 Cb 0.27 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3d29 h ALA 194 CO -0.00 0.44 -0.15 -0.22 0.00 0.00 0.00 179.25 179.32 3d29 h LYS 195 N 1.04 -0.40 -0.93 0.00 3.64 -0.95 -2.13 116.57 116.83 3d29 h LYS 195 Ca 0.33 0.03 0.19 0.00 -1.27 0.00 0.00 60.65 59.92 3d29 h LYS 195 Cb 0.01 0.09 -0.11 0.00 -0.41 0.00 0.00 32.23 31.82 3d29 h LYS 195 CO -0.09 -0.08 0.51 0.82 -2.27 0.00 0.00 179.45 178.34 3d29 h ILE 196 N -0.76 0.65 -0.28 2.00 1.08 -0.86 0.13 117.51 119.47 3d29 h ILE 196 Ca -0.04 -0.22 -0.04 0.00 -0.39 0.00 0.00 64.86 64.17 3d29 h ILE 196 Cb 0.50 -0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.21 3d29 h ILE 196 CO 0.07 0.12 0.03 0.40 -0.69 0.00 0.00 178.15 178.07 3d29 h ILE 197 N 0.63 1.24 -0.57 -0.67 1.08 -1.27 -0.24 117.51 117.71 3d29 h ILE 197 Ca 0.55 -0.84 0.03 0.00 -0.39 0.00 0.00 64.86 64.21 3d29 h ILE 197 Cb 0.89 1.25 -0.04 0.00 -3.07 0.00 0.00 36.82 35.85 3d29 h ILE 197 CO -0.41 0.27 0.34 1.88 -0.69 0.00 0.00 178.15 179.54 3d29 h TYR 198 N 0.28 0.63 0.32 1.37 -1.99 -0.30 -1.26 116.97 116.03 3d29 h TYR 198 Ca 0.08 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.82 3d29 h TYR 198 Cb 0.37 -0.20 0.00 0.00 2.00 0.00 0.00 36.73 38.90 3d29 h TYR 198 CO 0.03 0.35 -0.16 -0.07 -0.00 0.00 0.00 178.16 178.32 3d29 h LEU 199 N 0.67 -0.37 -0.17 3.88 4.07 -0.73 -2.56 115.31 120.10 3d29 h LEU 199 Ca 0.23 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.10 3d29 h LEU 199 Cb 0.04 0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.88 3d29 h LEU 199 CO -0.11 -0.12 0.00 0.00 -1.08 0.00 0.00 178.44 177.13 3d29 n ALA 201 N -2.38 1.09 1.01 1.53 0.00 -0.11 -1.72 120.51 119.94 3d29 n ALA 201 Ca -0.10 0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.47 3d29 n ALA 201 Cb 0.24 -1.07 0.55 0.00 0.00 0.00 0.00 19.45 19.17 3d29 n ALA 201 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3d29 n HIS 202 N -1.60 0.00 0.16 0.00 -0.00 -0.49 -3.27 115.22 110.02 3d29 n HIS 202 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.74 3d29 n HIS 202 Cb 0.03 -0.33 0.31 0.00 -0.00 0.00 0.00 29.99 30.00 3d29 n HIS 202 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 3d29 h GLU 203 N 0.00 0.05 -0.85 1.57 3.07 -1.48 0.15 114.58 117.08 3d29 h GLU 203 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3d29 h GLU 203 Cb 0.25 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 3d29 h GLU 203 CO 0.00 0.44 0.00 -0.25 -1.40 0.00 0.00 179.01 177.80 3d29 n ASP 204 N -4.06 0.91 -0.28 1.42 9.92 -1.20 -2.21 116.55 121.05 3d29 n ASP 204 Ca -0.02 -1.68 0.00 0.00 -0.53 0.00 0.00 54.79 52.57 3d29 n ASP 204 Cb 0.44 -0.42 0.00 0.00 -0.64 0.00 0.00 41.12 40.50 3d29 n ASP 204 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 3d29 n ASN 205 N 0.10 0.00 0.00 -2.24 4.05 -0.90 -4.85 115.26 111.43 3d29 n ASN 205 Ca 0.00 -0.66 0.00 0.00 0.45 0.00 0.00 54.58 54.37 3d29 n ASN 205 Cb 0.22 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.23 3d29 n ASN 205 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 3d29 n LYS 206 N 0.00 0.00 -0.04 1.20 2.85 -0.01 -2.16 118.16 120.00 3d29 n LYS 206 Ca 0.00 0.12 -0.15 0.00 -1.05 0.00 0.00 58.31 57.24 3d29 n LYS 206 Cb 0.33 -1.61 -0.08 0.00 -0.65 0.00 0.00 35.03 33.01 3d29 n LYS 206 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 3d29 h GLU 20 N 0.00 0.40 -5.91 -1.58 4.11 -1.86 -3.45 114.58 106.29 3d29 h GLU 20 Ca 0.00 -0.29 -0.63 0.00 0.07 0.00 0.00 59.36 58.50 3d29 h GLU 20 Cb 0.22 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 3d29 h GLU 20 CO 0.00 0.92 -0.52 0.15 0.07 0.00 0.00 179.01 179.63 3d29 s LYS 20 N -3.81 3.34 0.45 1.06 1.02 -0.92 -5.10 119.74 115.79 3d29 s LYS 20 Ca -0.14 -0.43 -0.19 0.00 0.02 0.00 0.00 55.97 55.24 3d29 s LYS 20 Cb 0.05 -3.01 -0.10 0.00 -0.52 0.00 0.00 37.83 34.25 3d29 s LYS 20 CO 0.78 0.63 0.93 0.34 -0.92 0.00 0.00 175.35 177.12 3d29 s ASP 207 N -2.21 6.81 0.35 2.83 3.68 -1.26 -4.87 116.67 122.00 3d29 s ASP 207 Ca 0.30 1.59 0.03 0.00 2.13 0.00 0.00 52.55 56.61 3d29 s ASP 207 Cb -0.13 -2.51 -0.04 0.00 -1.45 0.00 0.00 42.92 38.79 3d29 s ASP 207 CO 0.23 -0.42 0.09 0.72 0.13 0.00 0.00 175.17 175.92 3d29 s PHE 208 N -2.31 1.83 -0.05 -5.34 -0.12 -1.26 0.73 117.98 111.44 3d29 s PHE 208 Ca 0.60 -1.13 0.03 0.00 -0.05 0.00 0.00 56.93 56.38 3d29 s PHE 208 Cb -0.09 -1.17 0.00 0.00 -0.63 0.00 0.00 43.02 41.12 3d29 s PHE 208 CO 0.20 -0.17 -0.15 -2.00 -0.05 0.00 0.00 175.22 173.04 3d29 s GLU 209 N -3.83 1.77 0.21 1.99 2.12 0.54 -4.86 118.70 116.64 3d29 s GLU 209 Ca 0.31 -0.54 -0.11 0.00 0.36 0.00 0.00 54.97 55.00 3d29 s GLU 209 Cb 0.06 -1.50 -0.07 0.00 0.26 0.00 0.00 34.13 32.88 3d29 s GLU 209 CO 0.15 0.16 0.55 -1.17 -0.54 0.00 0.00 175.26 174.41 3d29 s LEU 210 N 0.28 4.20 -0.09 2.70 2.96 -1.26 -1.32 118.68 126.15 3d29 s LEU 210 Ca -0.08 0.96 -0.04 0.00 -0.22 0.00 0.00 54.13 54.75 3d29 s LEU 210 Cb -0.13 -3.61 0.04 0.00 0.50 0.00 0.00 46.19 42.99 3d29 s LEU 210 CO 0.03 -0.04 0.19 -0.70 -1.32 0.00 0.00 176.35 174.51 3d29 s GLU 211 N -2.64 0.14 0.02 1.98 2.12 -1.14 -4.99 118.70 114.19 3d29 s GLU 211 Ca 0.46 0.46 0.02 0.00 0.36 0.00 0.00 54.97 56.27 3d29 s GLU 211 Cb -0.12 -0.16 -0.01 0.00 0.26 0.00 0.00 34.13 34.10 3d29 s GLU 211 CO 0.21 -0.17 -0.07 0.42 -0.54 0.00 0.00 175.26 175.10 3d29 s ILE 212 N 1.30 0.51 0.09 -3.70 1.01 -1.26 -1.31 121.20 117.85 3d29 s ILE 212 Ca -0.08 -0.65 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 3d29 s ILE 212 Cb -0.11 -0.51 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 3d29 s ILE 212 CO -0.07 -0.11 0.02 -0.94 0.00 0.00 0.00 174.94 173.84 3d29 s SER 213 N -0.83 0.38 0.12 3.58 1.04 0.37 -0.75 113.70 117.62 3d29 s SER 213 Ca -0.03 -1.11 -0.20 0.00 0.48 0.00 0.00 55.95 55.09 3d29 s SER 213 Cb -0.06 0.26 0.05 0.00 0.10 0.00 0.00 66.02 66.37 3d29 s SER 213 CO 0.00 -0.67 0.50 -1.66 0.98 0.00 0.00 173.24 172.39 3d29 s TRP 214 N -3.99 -0.38 -0.19 5.02 1.48 0.61 -0.48 118.94 121.02 3d29 s TRP 214 Ca 0.16 0.17 -0.04 0.00 -1.06 0.00 0.00 56.10 55.33 3d29 s TRP 214 Cb 0.08 0.39 0.06 0.00 -1.16 0.00 0.00 33.47 32.84 3d29 s TRP 214 CO -0.04 -0.75 0.08 0.00 -4.06 0.00 0.00 176.95 172.18 3d29 s SER 216 N 2.06 0.73 0.24 0.00 0.15 -1.26 -0.03 113.70 115.59 3d29 s SER 216 Ca 0.02 -0.10 -0.06 0.00 0.70 0.00 0.00 55.95 56.50 3d29 s SER 216 Cb -0.16 -0.21 0.29 0.00 -1.71 0.00 0.00 66.02 64.23 3d29 s SER 216 CO -0.11 0.02 1.88 0.25 1.20 0.00 0.00 173.24 176.47 3d29 h LEU 217 N 6.50 0.95 0.00 3.45 5.85 -1.02 0.11 115.31 131.14 3d29 h LEU 217 Ca -0.33 -0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.23 3d29 h LEU 217 Cb 1.17 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 3d29 h LEU 217 CO 0.49 0.64 -1.42 -1.54 -0.34 0.00 0.00 178.44 176.28 3d29 n SER 218 N -4.54 0.83 -0.07 1.25 3.41 -1.26 -3.12 113.62 110.12 3d29 n SER 218 Ca 0.12 0.36 -0.10 0.00 -0.26 0.00 0.00 58.87 58.99 3d29 n SER 218 Cb 0.10 0.23 -0.15 0.00 -0.26 0.00 0.00 64.21 64.13 3d29 n SER 218 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3d29 n GLU 21 N -2.86 0.67 0.00 4.33 -0.58 -1.15 -4.63 120.64 116.42 3d29 n GLU 21 Ca -0.09 0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 3d29 n GLU 21 Cb 0.82 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 30.07 3d29 n GLU 21 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3d29 n THR 21 N -2.87 0.17 -2.57 2.62 -2.24 0.27 -4.95 114.28 104.70 3d29 n THR 21 Ca -0.27 -0.41 -0.12 0.00 -2.27 0.00 0.00 64.05 60.98 3d29 n THR 21 Cb 1.12 1.17 0.01 0.00 -2.10 0.00 0.00 70.33 70.53 3d29 n THR 21 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3d29 n ASN 21 N -0.08 -3.87 0.00 3.42 5.15 -0.57 -2.55 115.26 116.76 3d29 n ASN 21 Ca 0.00 -0.12 0.00 0.00 -0.60 0.00 0.00 54.58 53.86 3d29 n ASN 21 Cb 0.15 -2.82 0.00 0.00 -0.53 0.00 0.00 39.78 36.58 3d29 n ASN 21 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3d29 n GLY 219 N -1.13 1.40 3.89 8.20 0.00 -0.79 -4.92 105.19 111.84 3d29 n GLY 219 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 3d29 n GLY 219 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d29 s LEU 220 N 0.00 4.28 0.04 0.99 1.43 -1.06 -4.53 118.68 119.84 3d29 s LEU 220 Ca 0.00 0.67 -0.30 0.00 -1.03 0.00 0.00 54.13 53.47 3d29 s LEU 220 Cb 0.00 -3.25 -0.04 0.00 0.03 0.00 0.00 46.19 42.93 3d29 s LEU 220 CO 0.00 0.08 0.97 -2.28 0.23 0.00 0.00 176.35 175.35 3d29 s HIS 221 N -1.60 3.72 -0.02 0.29 5.65 -0.20 -4.36 115.29 118.77 3d29 s HIS 221 Ca 0.39 1.74 -0.14 0.00 0.25 0.00 0.00 55.06 57.30 3d29 s HIS 221 Cb -0.12 -3.09 0.02 0.00 -1.18 0.00 0.00 32.58 28.20 3d29 s HIS 221 CO 0.22 0.08 0.30 0.15 -0.65 0.00 0.00 174.74 174.84 3d29 s LYS 222 N 0.61 0.65 0.22 2.88 1.02 -0.44 -4.95 119.74 119.73 3d29 s LYS 222 Ca 0.50 -0.19 -0.27 0.00 0.02 0.00 0.00 55.97 56.03 3d29 s LYS 222 Cb -0.22 0.29 -0.09 0.00 -0.52 0.00 0.00 37.83 37.29 3d29 s LYS 222 CO 0.29 -0.18 0.87 -0.06 -0.92 0.00 0.00 175.35 175.35 3d29 s PHE 223 N -1.29 3.92 -0.50 3.18 0.40 -1.26 -0.28 117.98 122.14 3d29 s PHE 223 Ca -0.13 1.77 -0.26 0.00 -0.60 0.00 0.00 56.93 57.71 3d29 s PHE 223 Cb -0.05 -2.88 0.03 0.00 0.51 0.00 0.00 43.02 40.63 3d29 s PHE 223 CO 0.04 0.46 0.99 0.08 0.70 0.00 0.00 175.22 177.49 3d29 s VAL 224 N -1.21 4.36 0.37 -0.44 1.01 0.07 -4.90 120.40 119.66 3d29 s VAL 224 Ca 0.40 0.69 0.00 0.00 0.00 0.00 0.00 61.98 63.07 3d29 s VAL 224 Cb -0.24 -4.52 -0.00 0.00 0.00 0.00 0.00 36.38 31.62 3d29 s VAL 224 CO 0.29 -1.00 0.01 0.29 0.00 0.00 0.00 175.10 174.69 3d29 n LYS 225 N 7.48 1.05 0.00 2.72 5.02 -1.26 -4.60 118.16 128.57 3d29 n LYS 225 Ca 0.06 -2.74 0.00 0.00 -2.02 0.00 0.00 58.31 53.61 3d29 n LYS 225 Cb 0.48 0.80 0.00 0.00 -0.02 0.00 0.00 35.03 36.29 3d29 n LYS 225 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d29 n GLY 226 N 0.44 3.22 0.21 0.72 0.00 -1.26 -3.13 105.19 105.39 3d29 n GLY 226 Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 3d29 n GLY 226 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3d29 h ASP 227 N 0.00 0.65 0.15 1.61 3.45 -1.98 -1.69 116.42 118.61 3d29 h ASP 227 Ca 0.00 -0.24 -0.03 0.00 0.43 0.00 0.00 57.03 57.19 3d29 h ASP 227 Cb 0.00 -0.17 -0.00 0.00 -0.56 0.00 0.00 39.33 38.59 3d29 h ASP 227 CO 0.00 0.72 -0.14 0.25 -1.57 0.00 0.00 179.24 178.50 3d29 h LEU 228 N 0.55 0.00 0.20 1.55 5.85 -1.95 0.98 115.31 122.49 3d29 h LEU 228 Ca 0.13 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3d29 h LEU 228 Cb 0.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.36 3d29 h LEU 228 CO 0.00 0.14 -0.10 0.25 -0.34 0.00 0.00 178.44 178.40 3d29 h LEU 229 N 0.00 -0.23 -1.27 2.25 5.85 -1.46 -2.70 115.31 117.76 3d29 h LEU 229 Ca -0.00 -0.27 0.07 0.00 0.84 0.00 0.00 57.88 58.53 3d29 h LEU 229 Cb 0.26 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 3d29 h LEU 229 CO 0.02 0.30 0.54 -0.61 -0.34 0.00 0.00 178.44 178.34 3d29 h GLN 230 N -0.93 0.84 -0.75 1.25 5.75 -1.14 0.19 115.11 120.32 3d29 h GLN 230 Ca -0.03 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 3d29 h GLN 230 Cb 0.49 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 28.81 3d29 h GLN 230 CO 0.05 0.55 0.47 1.49 -2.65 0.00 0.00 178.83 178.74 3d29 h GLU 231 N 0.86 1.00 -0.24 1.69 4.81 -0.87 0.01 114.58 121.84 3d29 h GLU 231 Ca 0.36 -0.08 -0.13 0.00 -0.13 0.00 0.00 59.36 59.39 3d29 h GLU 231 Cb 0.29 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3d29 h GLU 231 CO -0.14 0.69 -0.38 0.00 -0.73 0.00 0.00 179.01 178.45 3d29 h ALA 232 N 1.25 0.89 -0.52 2.92 0.00 -0.70 -1.70 119.26 121.40 3d29 h ALA 232 Ca 0.27 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3d29 h ALA 232 Cb -0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3d29 h ALA 232 CO -0.05 0.63 0.11 0.82 0.00 0.00 0.00 179.25 180.76 3d29 h ILE 233 N 0.46 1.25 -0.62 0.00 2.04 -0.47 -1.97 117.51 118.19 3d29 h ILE 233 Ca 0.04 -0.89 -0.05 0.00 1.00 0.00 0.00 64.86 64.96 3d29 h ILE 233 Cb 0.86 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 3d29 h ILE 233 CO 0.07 0.32 0.20 0.44 0.00 0.00 0.00 178.15 179.18 3d29 h ASP 234 N 0.73 0.90 -0.06 1.72 3.32 -0.78 0.17 116.42 122.43 3d29 h ASP 234 Ca 0.16 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 3d29 h ASP 234 Cb 0.36 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3d29 h ASP 234 CO 0.00 0.86 0.02 0.15 -1.72 0.00 0.00 179.24 178.55 3d29 h PHE 235 N 0.89 0.13 0.00 4.55 3.57 -1.05 -1.31 116.94 123.72 3d29 h PHE 235 Ca 0.20 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 3d29 h PHE 235 Cb 0.28 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 3d29 h PHE 235 CO 0.02 0.13 -0.09 0.00 -2.23 0.00 0.00 178.31 176.15 3d29 h ALA 236 N 1.88 0.02 -0.47 2.41 0.00 -0.79 -3.08 119.26 119.24 3d29 h ALA 236 Ca 0.04 -0.45 0.14 0.00 0.00 0.00 0.00 54.91 54.64 3d29 h ALA 236 Cb 0.07 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3d29 h ALA 236 CO -0.00 0.05 0.43 1.96 0.00 0.00 0.00 179.25 181.69 3d29 h GLN 237 N -1.00 0.00 0.03 0.00 1.08 -0.51 -0.37 115.11 114.34 3d29 h GLN 237 Ca -0.02 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.12 3d29 h GLN 237 Cb 0.81 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.25 3d29 h GLN 237 CO -0.01 0.00 -0.25 -0.22 -0.95 0.00 0.00 178.83 177.39 3d29 h LYS 238 N 0.00 0.12 0.00 1.46 3.64 -1.34 -3.30 116.57 117.16 3d29 h LYS 238 Ca 0.22 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3d29 h LYS 238 Cb 1.08 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 3d29 h LYS 238 CO -0.00 1.01 0.00 0.39 -2.27 0.00 0.00 179.45 178.57 3d29 n GLU 239 N -4.48 0.70 0.01 1.90 1.02 -0.62 -2.28 120.64 116.89 3d29 n GLU 239 Ca -0.11 0.01 0.13 0.00 -0.02 0.00 0.00 57.16 57.17 3d29 n GLU 239 Cb 0.55 -1.50 0.39 0.00 -0.02 0.00 0.00 31.44 30.86 3d29 n GLU 239 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 3d29 n ILE 240 N -1.11 0.06 -0.33 -3.67 0.13 -0.25 -5.08 119.36 109.12 3d29 n ILE 240 Ca 0.18 -0.04 0.00 0.00 -1.10 0.00 0.00 62.75 61.79 3d29 n ILE 240 Cb 0.14 -0.11 0.00 0.00 -0.84 0.00 0.00 39.64 38.83 3d29 n ILE 240 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94