#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 -0.71 2.61 -2.24 -1.26 -4.92 114.28 107.76 3d29 n THR 6 Ca 0.00 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 3d29 n THR 6 Cb 0.00 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 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 0.03 0.60 0.00 3.38 0.00 -1.26 -4.92 105.19 103.02 3d29 n GLY 7 Ca 0.01 -0.43 0.15 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.71 0.00 -0.53 1.61 4.01 -1.26 -3.27 117.16 115.01 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 -0.04 0.16 0.00 -0.31 0.00 0.00 39.34 39.15 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 -1.04 3.01 0.02 7.72 5.75 -1.26 -4.55 116.55 126.19 3d29 n ASP 9 Ca 0.21 -2.48 0.11 0.00 -0.01 0.00 0.00 54.79 52.63 3d29 n ASP 9 Cb 0.12 -0.32 -0.12 0.00 -1.03 0.00 0.00 41.12 39.77 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 -0.25 0.25 -4.19 -2.12 4.77 -1.20 -4.64 117.00 109.61 3d29 n LEU 10 Ca 0.13 0.06 -0.27 0.00 -0.03 0.00 0.00 56.01 55.91 3d29 n LEU 10 Cb 0.58 -0.02 -0.16 0.00 -2.33 0.00 0.00 43.42 41.49 3d29 n LEU 10 CO 0.08 -0.03 -0.52 -0.55 -1.33 0.00 0.00 177.39 175.04 3d29 s SER 11 N -4.64 2.32 0.00 -1.43 0.15 -1.26 -5.11 113.70 103.74 3d29 s SER 11 Ca -0.05 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.23 3d29 s SER 11 Cb 0.13 -0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.08 3d29 s SER 11 CO 0.88 0.22 0.85 -3.20 1.20 0.00 0.00 173.24 173.20 3d29 n ASN 12 N 2.74 0.00 0.00 5.45 5.15 -1.26 -3.43 115.26 123.91 3d29 n ASN 12 Ca -0.16 0.85 0.00 0.00 -0.60 0.00 0.00 54.58 54.68 3d29 n ASN 12 Cb 0.53 -0.35 0.00 0.00 -0.53 0.00 0.00 39.78 39.43 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 -1.72 0.00 -4.74 1.20 3.41 -1.25 -4.69 113.62 105.83 3d29 n SER 13 Ca 0.00 -0.34 -0.40 0.00 -0.26 0.00 0.00 58.87 57.87 3d29 n SER 13 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 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 -2.00 4.51 -0.05 -3.33 1.01 -1.22 -4.95 120.40 114.36 3d29 s VAL 14 Ca 0.00 1.88 -0.19 0.00 0.00 0.00 0.00 61.98 63.67 3d29 s VAL 14 Cb 0.00 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 3d29 s VAL 14 CO 0.00 0.38 0.52 -0.36 0.00 0.00 0.00 175.10 175.64 3d29 s PHE 15 N -0.32 3.62 0.76 5.22 0.08 -1.26 -4.36 117.98 121.72 3d29 s PHE 15 Ca 0.42 1.04 -0.09 0.00 0.12 0.00 0.00 56.93 58.42 3d29 s PHE 15 Cb -0.23 -2.54 0.07 0.00 -0.57 0.00 0.00 43.02 39.76 3d29 s PHE 15 CO 0.27 0.32 1.10 -1.54 -0.10 0.00 0.00 175.22 175.27 3d29 s SER 16 N 0.03 4.63 0.61 1.36 1.04 0.08 -4.89 113.70 116.56 3d29 s SER 16 Ca 0.28 0.59 0.32 0.00 0.48 0.00 0.00 55.95 57.62 3d29 s SER 16 Cb -0.17 -1.15 1.86 0.00 0.10 0.00 0.00 66.02 66.67 3d29 s SER 16 CO 0.14 -1.77 2.21 -0.65 0.98 0.00 0.00 173.24 174.15 3d29 h PRO 17 N -0.84 0.00 -0.65 4.02 0.11 -1.97 -0.34 132.00 132.34 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 -3.67 4.50 -0.54 -2.05 3.85 -1.26 -4.93 116.55 112.45 3d29 n ASP 18 Ca -0.02 -2.60 -0.06 0.00 -0.71 0.00 0.00 54.79 51.41 3d29 n ASP 18 Cb 0.17 -0.60 -0.02 0.00 -1.35 0.00 0.00 41.12 39.32 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 0.70 0.56 3.87 6.12 0.00 -0.14 -5.05 105.19 111.24 3d29 n GLY 19 Ca 0.22 -0.73 -0.21 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.21 2.66 -0.48 1.61 0.52 -1.26 -4.78 118.95 114.00 3d29 s ARG 20 Ca 0.00 -1.38 0.03 0.00 -0.52 0.00 0.00 55.73 53.86 3d29 s ARG 20 Cb 0.00 -2.45 0.13 0.00 0.52 0.00 0.00 34.95 33.15 3d29 s ARG 20 CO 0.00 -0.03 0.25 1.21 0.02 0.00 0.00 175.30 176.75 3d29 s ASN 21 N -4.06 4.05 0.34 0.23 3.84 -1.26 -0.74 114.94 117.34 3d29 s ASN 21 Ca 0.44 -2.84 0.06 0.00 0.21 0.00 0.00 52.86 50.74 3d29 s ASN 21 Cb -0.05 -1.39 0.72 0.00 -0.55 0.00 0.00 41.25 39.98 3d29 s ASN 21 CO 0.27 -0.25 1.90 -0.26 -2.79 0.00 0.00 177.10 175.97 3d29 h PHE 22 N 6.62 0.87 -0.47 0.43 0.04 -1.80 -1.49 116.94 121.13 3d29 h PHE 22 Ca -0.05 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.78 3d29 h PHE 22 Cb 0.91 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 38.75 3d29 h PHE 22 CO 0.50 0.39 0.32 1.96 -0.60 0.00 0.00 178.31 180.87 3d29 h GLN 23 N 0.79 0.46 -0.19 1.51 1.08 -1.83 0.30 115.11 117.23 3d29 h GLN 23 Ca 0.41 -0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.48 3d29 h GLN 23 Cb 0.49 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.81 3d29 h GLN 23 CO -0.17 0.31 -0.25 0.28 -0.95 0.00 0.00 178.83 178.04 3d29 h VAL 24 N 0.48 1.34 -0.43 -0.54 2.07 -1.61 -1.89 116.25 115.67 3d29 h VAL 24 Ca 0.20 -1.45 -0.02 0.00 0.82 0.00 0.00 66.70 66.25 3d29 h VAL 24 Cb 0.19 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 3d29 h VAL 24 CO -0.05 0.44 0.19 -0.33 0.02 0.00 0.00 177.57 177.85 3d29 h GLU 25 N 0.17 0.59 -0.03 1.57 5.08 -0.86 -0.39 114.58 120.71 3d29 h GLU 25 Ca 0.02 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 3d29 h GLU 25 Cb 0.82 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 3d29 h GLU 25 CO 0.06 0.47 -0.50 1.88 -1.00 0.00 0.00 179.01 179.92 3d29 h TYR 26 N 0.60 0.10 -0.73 4.33 0.05 -0.30 -2.38 116.97 118.64 3d29 h TYR 26 Ca 0.15 -0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.84 3d29 h TYR 26 Cb 0.08 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 37.77 3d29 h TYR 26 CO 0.00 0.57 0.22 0.00 -1.05 0.00 0.00 178.16 177.90 3d29 h ALA 27 N 1.43 1.00 -0.38 3.88 0.00 -0.26 -1.61 119.26 123.31 3d29 h ALA 27 Ca 0.00 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.74 3d29 h ALA 27 Cb 0.91 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3d29 h ALA 27 CO 0.07 0.66 0.26 0.28 0.00 0.00 0.00 179.25 180.52 3d29 h VAL 28 N 1.09 0.94 -0.66 0.00 2.07 -0.84 -0.05 116.25 118.80 3d29 h VAL 28 Ca 0.23 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 67.61 3d29 h VAL 28 Cb 0.32 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 3d29 h VAL 28 CO -0.01 0.05 0.19 0.11 0.02 0.00 0.00 177.57 177.93 3d29 h LYS 29 N 0.25 1.02 -0.15 1.57 1.79 -1.09 0.39 116.57 120.35 3d29 h LYS 29 Ca 0.17 -0.21 -0.08 0.00 -2.18 0.00 0.00 60.65 58.35 3d29 h LYS 29 Cb 0.35 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 3d29 h LYS 29 CO -0.03 0.88 -0.27 0.00 -1.08 0.00 0.00 179.45 178.95 3d29 h ALA 30 N 1.22 1.28 -0.15 3.86 0.00 -0.93 -2.38 119.26 122.16 3d29 h ALA 30 Ca 0.21 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 3d29 h ALA 30 Cb 0.30 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3d29 h ALA 30 CO -0.01 0.49 -0.26 0.28 0.00 0.00 0.00 179.25 179.75 3d29 h VAL 31 N 0.24 1.36 0.00 0.00 2.07 -0.75 -3.10 116.25 116.07 3d29 h VAL 31 Ca 0.04 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.04 3d29 h VAL 31 Cb 0.60 1.96 -0.00 0.00 -1.52 0.00 0.00 31.29 32.33 3d29 h VAL 31 CO 0.04 0.45 -0.08 -0.33 0.02 0.00 0.00 177.57 177.67 3d29 h GLU 32 N 0.07 0.00 -0.00 1.57 5.08 -0.82 -0.57 114.58 119.91 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 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3d29 h GLU 32 CO 0.06 0.08 -0.07 -1.71 -1.00 0.00 0.00 179.01 176.37 3d29 n ASN 33 N -3.44 0.12 -4.54 1.42 2.85 -0.91 -2.77 115.26 107.99 3d29 n ASN 33 Ca -0.02 0.11 -0.26 0.00 -0.11 0.00 0.00 54.58 54.30 3d29 n ASN 33 Cb 0.23 -0.30 0.13 0.00 1.24 0.00 0.00 39.78 41.07 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 -2.82 1.76 0.69 8.20 0.00 -0.22 -4.79 107.32 110.14 3d29 s GLY 34 Ca 0.19 -1.41 -0.17 0.00 0.00 0.00 0.00 44.72 43.33 3d29 s GLY 34 CO 0.52 -0.81 1.24 2.41 0.00 0.00 0.00 173.10 176.47 3d29 n THR 35 N -3.16 4.14 -3.04 0.90 -1.04 -1.26 -0.32 114.28 110.50 3d29 n THR 35 Ca 0.14 -0.43 -0.39 0.00 -2.04 0.00 0.00 64.05 61.33 3d29 n THR 35 Cb 0.60 -1.39 -0.06 0.00 -1.82 0.00 0.00 70.33 67.66 3d29 n THR 35 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3d29 s THR 36 N -1.58 4.60 0.02 12.58 -1.32 -1.26 -4.23 115.64 124.44 3d29 s THR 36 Ca 0.80 1.57 -0.02 0.00 -1.21 0.00 0.00 61.69 62.82 3d29 s THR 36 Cb -0.36 -4.08 -0.02 0.00 -1.51 0.00 0.00 72.50 66.54 3d29 s THR 36 CO 0.43 0.46 0.02 -0.94 -2.21 0.00 0.00 174.62 172.38 3d29 s SER 37 N -0.66 0.22 0.23 8.08 1.04 -0.54 -1.52 113.70 120.54 3d29 s SER 37 Ca 0.35 -0.51 -0.01 0.00 0.48 0.00 0.00 55.95 56.27 3d29 s SER 37 Cb -0.21 0.15 -0.03 0.00 0.10 0.00 0.00 66.02 66.02 3d29 s SER 37 CO 0.23 -0.38 0.19 0.27 0.98 0.00 0.00 173.24 174.53 3d29 s ILE 38 N -1.90 0.00 -0.09 -1.02 -4.36 0.03 -1.71 121.20 112.15 3d29 s ILE 38 Ca -0.12 -1.94 -0.05 0.00 -0.26 0.00 0.00 60.65 58.28 3d29 s ILE 38 Cb -0.06 -2.48 0.04 0.00 1.25 0.00 0.00 42.46 41.21 3d29 s ILE 38 CO -0.02 0.00 0.21 -0.83 0.24 0.00 0.00 174.94 174.54 3d29 s GLY 39 N -3.18 -0.12 -0.10 6.27 0.00 0.63 -2.51 107.32 108.32 3d29 s GLY 39 Ca 0.38 0.81 0.02 0.00 0.00 0.00 0.00 44.72 45.93 3d29 s GLY 39 CO 0.14 0.99 -0.14 -0.42 0.00 0.00 0.00 173.10 173.67 3d29 s ILE 40 N 0.93 1.40 -0.36 0.90 1.01 -0.14 -0.47 121.20 124.47 3d29 s ILE 40 Ca -0.07 -0.59 -0.18 0.00 0.00 0.00 0.00 60.65 59.81 3d29 s ILE 40 Cb -0.08 -1.28 -0.00 0.00 0.01 0.00 0.00 42.46 41.10 3d29 s ILE 40 CO -0.06 0.42 0.50 -0.75 0.00 0.00 0.00 174.94 175.05 3d29 s LYS 41 N 0.96 3.55 0.50 2.79 2.20 -0.59 -0.16 119.74 128.98 3d29 s LYS 41 Ca -0.08 -0.25 0.02 0.00 -0.36 0.00 0.00 55.97 55.30 3d29 s LYS 41 Cb -0.15 -3.83 0.09 0.00 -1.51 0.00 0.00 37.83 32.44 3d29 s LYS 41 CO -0.01 -0.67 0.68 0.00 -0.36 0.00 0.00 175.35 175.00 3d29 n ASN 43 N -2.80 0.41 -0.93 0.00 2.04 0.62 -3.52 115.26 111.08 3d29 n ASN 43 Ca 0.12 0.64 -0.00 0.00 -0.44 0.00 0.00 54.58 54.89 3d29 n ASN 43 Cb 0.43 -0.71 -0.01 0.00 -2.53 0.00 0.00 39.78 36.96 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 -1.99 0.06 0.00 0.53 3.85 -1.26 -4.92 116.55 112.82 3d29 n ASP 44 Ca 0.01 -1.80 0.00 0.00 -0.71 0.00 0.00 54.79 52.29 3d29 n ASP 44 Cb 0.13 -0.07 0.00 0.00 -1.35 0.00 0.00 41.12 39.83 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 0.15 -0.78 3.04 6.12 0.00 -1.23 -0.22 105.19 112.28 3d29 n GLY 45 Ca -0.05 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 45.08 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 0.11 -0.05 1.61 -7.23 0.89 -1.24 120.40 111.49 3d29 s VAL 46 Ca 0.00 -0.91 0.06 0.00 -1.81 0.00 0.00 61.98 59.32 3d29 s VAL 46 Cb 0.00 -0.45 -0.01 0.00 0.56 0.00 0.00 36.38 36.48 3d29 s VAL 46 CO 0.00 -0.50 -0.23 -0.69 -0.31 0.00 0.00 175.10 173.38 3d29 s VAL 47 N -1.69 1.86 -0.01 1.32 1.01 0.78 -1.02 120.40 122.64 3d29 s VAL 47 Ca -0.13 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 60.96 3d29 s VAL 47 Cb -0.07 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 3d29 s VAL 47 CO -0.01 0.52 -0.23 -0.36 0.00 0.00 0.00 175.10 175.02 3d29 s PHE 48 N -0.09 2.44 -0.02 5.22 0.40 0.48 -0.97 117.98 125.43 3d29 s PHE 48 Ca -0.04 -0.35 -0.12 0.00 -0.60 0.00 0.00 56.93 55.81 3d29 s PHE 48 Cb -0.13 -1.51 0.02 0.00 0.51 0.00 0.00 43.02 41.90 3d29 s PHE 48 CO 0.03 0.06 0.26 0.00 0.70 0.00 0.00 175.22 176.27 3d29 s ALA 49 N -0.69 -0.65 0.05 5.36 0.00 -1.04 -0.44 121.76 124.35 3d29 s ALA 49 Ca 0.11 0.24 -0.12 0.00 0.00 0.00 0.00 51.96 52.19 3d29 s ALA 49 Cb -0.10 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.07 3d29 s ALA 49 CO 0.00 -0.23 0.26 0.54 0.00 0.00 0.00 175.76 176.32 3d29 s VAL 50 N -1.21 0.10 -0.12 0.00 0.11 -0.51 -0.79 120.40 117.98 3d29 s VAL 50 Ca -0.13 -0.83 -0.19 0.00 -2.93 0.00 0.00 61.98 57.91 3d29 s VAL 50 Cb -0.06 -1.01 -0.04 0.00 -1.53 0.00 0.00 36.38 33.74 3d29 s VAL 50 CO 0.03 -0.46 0.51 -0.70 -3.33 0.00 0.00 175.10 171.16 3d29 s GLU 51 N -2.85 4.34 -0.42 1.54 2.12 -0.58 -2.84 118.70 120.01 3d29 s GLU 51 Ca -0.03 0.50 0.03 0.00 0.36 0.00 0.00 54.97 55.84 3d29 s GLU 51 Cb 0.00 -3.45 0.11 0.00 0.26 0.00 0.00 34.13 31.05 3d29 s GLU 51 CO -0.05 0.11 0.15 0.15 -0.54 0.00 0.00 175.26 175.07 3d29 s LYS 52 N 0.77 1.72 0.32 4.30 1.02 -0.41 -4.68 119.74 122.78 3d29 s LYS 52 Ca 0.27 -2.17 -0.29 0.00 0.02 0.00 0.00 55.97 53.80 3d29 s LYS 52 Cb -0.15 -3.28 -0.11 0.00 -0.52 0.00 0.00 37.83 33.76 3d29 s LYS 52 CO 0.11 -1.02 1.52 -0.51 -0.92 0.00 0.00 175.35 174.54 3d29 s LEU 53 N 0.45 4.34 -0.96 3.17 1.43 -1.26 -0.23 118.68 125.62 3d29 s LEU 53 Ca 0.13 2.94 -0.14 0.00 -1.03 0.00 0.00 54.13 56.04 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 -0.85 0.99 -0.63 0.23 0.00 0.00 176.35 176.04 3d29 s ILE 54 N -0.51 5.45 0.54 -0.59 1.01 0.24 -4.86 121.20 122.49 3d29 s ILE 54 Ca 0.58 -2.52 0.27 0.00 0.00 0.00 0.00 60.65 58.99 3d29 s ILE 54 Cb -0.46 -4.61 0.42 0.00 0.01 0.00 0.00 42.46 37.81 3d29 s ILE 54 CO 0.54 -1.23 1.96 0.74 0.00 0.00 0.00 174.94 176.95 3d29 h THR 55 N 4.74 0.64 -1.95 2.92 2.02 -1.92 -3.40 112.91 115.96 3d29 h THR 55 Ca 0.16 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.53 3d29 h THR 55 Cb 0.98 0.68 -0.15 0.00 -1.74 0.00 0.00 68.15 67.92 3d29 h THR 55 CO 0.94 0.00 0.63 -0.94 0.37 0.00 0.00 175.52 176.52 3d29 s SER 56 N -5.94 -0.23 0.62 4.18 1.04 -1.26 -5.00 113.70 107.10 3d29 s SER 56 Ca -0.05 -0.07 0.41 0.00 0.48 0.00 0.00 55.95 56.72 3d29 s SER 56 Cb 0.20 0.30 2.20 0.00 0.10 0.00 0.00 66.02 68.81 3d29 s SER 56 CO 0.72 -0.51 2.26 0.11 0.98 0.00 0.00 173.24 176.80 3d29 h LYS 57 N 2.00 0.00 0.00 4.02 1.79 -2.03 -2.66 116.57 119.69 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 -0.12 -0.07 -1.08 0.00 0.00 179.45 178.45 3d29 h LEU 58 N 0.00 0.00 -9.31 2.94 3.38 -1.98 -3.43 115.31 106.92 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 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3d29 h LEU 58 CO 0.00 0.12 0.95 -0.76 0.09 0.00 0.00 178.44 178.84 3d29 s LEU 59 N -7.42 4.30 0.04 1.67 1.02 -1.01 -4.93 118.68 112.36 3d29 s LEU 59 Ca -0.03 2.14 -0.30 0.00 0.02 0.00 0.00 54.13 55.96 3d29 s LEU 59 Cb 0.13 -3.55 -0.08 0.00 0.02 0.00 0.00 46.19 42.72 3d29 s LEU 59 CO 0.59 -0.82 1.75 -0.69 0.02 0.00 0.00 176.35 177.21 3d29 s VAL 60 N 3.17 3.08 0.35 -1.59 1.01 -1.26 -4.91 120.40 120.24 3d29 s VAL 60 Ca 0.67 0.37 -0.29 0.00 0.00 0.00 0.00 61.98 62.73 3d29 s VAL 60 Cb -0.32 -3.24 -0.11 0.00 0.00 0.00 0.00 36.38 32.71 3d29 s VAL 60 CO 0.26 -0.02 1.51 -2.65 0.00 0.00 0.00 175.10 174.21 3d29 n PRO 61 N 6.39 2.66 -0.98 2.72 -0.02 -1.26 -2.32 135.00 142.18 3d29 n PRO 61 Ca 0.17 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.59 3d29 n PRO 61 Cb 0.41 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 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 0.99 -0.93 -0.08 -0.52 1.13 -1.26 -4.90 117.38 111.80 3d29 n GLN 62 Ca 0.04 0.23 -0.07 0.00 -1.94 0.00 0.00 57.00 55.26 3d29 n GLN 62 Cb 0.38 -3.97 -0.16 0.00 0.11 0.00 0.00 30.24 26.60 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 -1.06 0.68 -2.85 -1.09 4.76 -0.98 -4.67 118.16 112.95 3d29 n LYS 63 Ca 0.00 -0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.01 3d29 n LYS 63 Cb 0.23 -1.55 0.01 0.00 -1.84 0.00 0.00 35.03 31.89 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 -2.72 6.73 -4.66 4.39 3.02 -1.26 -5.01 115.26 115.75 3d29 n ASN 64 Ca -0.28 -3.49 -0.52 0.00 -0.03 0.00 0.00 54.58 50.25 3d29 n ASN 64 Cb 1.08 -1.24 -0.06 0.00 -0.61 0.00 0.00 39.78 38.94 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 0.93 0.19 -0.11 2.41 0.31 -1.26 -4.94 118.33 115.86 3d29 n VAL 65 Ca 0.34 -0.03 -0.24 0.00 -0.01 0.00 0.00 64.34 64.39 3d29 n VAL 65 Cb 0.31 -1.23 -0.11 0.00 -0.91 0.00 0.00 33.84 31.90 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 4.25 0.57 -1.78 5.55 5.02 -1.26 -4.94 118.16 125.57 3d29 n LYS 66 Ca 0.22 0.50 -0.41 0.00 -2.02 0.00 0.00 58.31 56.59 3d29 n LYS 66 Cb 0.20 -1.69 -0.01 0.00 -0.02 0.00 0.00 35.03 33.52 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 -2.40 2.03 0.06 -0.18 1.01 -1.26 -4.88 121.20 115.57 3d29 s ILE 67 Ca -0.31 0.03 0.07 0.00 0.00 0.00 0.00 60.65 60.44 3d29 s ILE 67 Cb 0.08 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.51 3d29 s ILE 67 CO 0.57 0.01 -0.20 -1.10 0.00 0.00 0.00 174.94 174.22 3d29 s GLN 68 N -1.57 1.24 -0.04 2.79 -0.21 0.11 -4.96 119.66 117.01 3d29 s GLN 68 Ca 0.56 -0.97 -0.03 0.00 0.02 0.00 0.00 55.36 54.95 3d29 s GLN 68 Cb -0.47 -1.37 -0.04 0.00 1.00 0.00 0.00 33.01 32.13 3d29 s GLN 68 CO 0.58 0.34 0.14 0.54 -2.12 0.00 0.00 175.29 174.77 3d29 s VAL 69 N -0.91 5.24 -0.11 1.09 0.11 -1.26 0.42 120.40 124.98 3d29 s VAL 69 Ca 0.06 -0.11 0.03 0.00 -2.93 0.00 0.00 61.98 59.03 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 0.43 -0.22 -0.69 -3.33 0.00 0.00 175.10 171.31 3d29 s VAL 70 N -1.19 2.22 0.00 2.04 1.01 0.07 -4.96 120.40 119.58 3d29 s VAL 70 Ca 0.22 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.24 3d29 s VAL 70 Cb -0.12 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.39 3d29 s VAL 70 CO 0.13 0.55 0.00 -0.67 0.00 0.00 0.00 175.10 175.11 3d29 n ASP 71 N 3.62 0.00 0.00 3.32 2.03 -1.26 -2.41 116.55 121.84 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 5.13 -0.03 -0.67 1.74 -1.26 -4.79 116.66 130.77 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 0.04 0.00 -1.02 0.00 0.00 32.46 31.03 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 -0.84 0.09 -5.23 -1.55 1.44 -1.24 -0.93 115.22 106.95 3d29 n HIS 73 Ca 0.00 -0.20 -0.31 0.00 -2.01 0.00 0.00 57.72 55.20 3d29 n HIS 73 Cb 0.00 -0.02 -0.16 0.00 0.12 0.00 0.00 29.99 29.93 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 -0.66 1.98 -0.01 0.61 1.01 -1.01 -3.82 121.20 119.30 3d29 s ILE 74 Ca 0.08 -1.04 0.04 0.00 0.00 0.00 0.00 60.65 59.73 3d29 s ILE 74 Cb 0.05 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.82 3d29 s ILE 74 CO 0.07 0.55 -0.11 -0.83 0.00 0.00 0.00 174.94 174.62 3d29 s GLY 75 N -0.24 1.64 -0.03 6.18 0.00 -0.27 -0.75 107.32 113.85 3d29 s GLY 75 Ca -0.01 -1.04 0.01 0.00 0.00 0.00 0.00 44.72 43.68 3d29 s GLY 75 CO 0.02 -0.88 -0.03 0.00 0.00 0.00 0.00 173.10 172.21 3d29 s VAL 77 N 0.72 0.07 0.14 0.00 0.11 0.15 0.07 120.40 121.66 3d29 s VAL 77 Ca -0.09 -0.59 -0.12 0.00 -2.93 0.00 0.00 61.98 58.25 3d29 s VAL 77 Cb -0.12 -0.24 0.01 0.00 -1.53 0.00 0.00 36.38 34.51 3d29 s VAL 77 CO -0.00 -0.32 0.34 -0.72 -3.33 0.00 0.00 175.10 171.06 3d29 s TYR 78 N -0.99 0.08 -0.01 1.54 -0.85 -1.26 0.33 117.35 116.19 3d29 s TYR 78 Ca -0.11 -0.44 0.06 0.00 -0.52 0.00 0.00 57.07 56.06 3d29 s TYR 78 Cb -0.07 0.11 -0.02 0.00 0.38 0.00 0.00 41.96 42.37 3d29 s TYR 78 CO -0.00 -0.71 -0.19 -1.12 -1.52 0.00 0.00 175.55 172.01 3d29 s SER 79 N -2.88 2.22 0.00 -0.18 0.01 -0.93 -4.93 113.70 107.01 3d29 s SER 79 Ca 0.09 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 56.98 3d29 s SER 79 Cb 0.02 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.02 3d29 s SER 79 CO -0.07 0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.41 3d29 n GLY 80 N 2.51 0.17 3.55 3.44 0.00 -1.26 -2.47 105.19 111.13 3d29 n GLY 80 Ca -0.15 -1.58 -0.39 0.00 0.00 0.00 0.00 46.02 43.90 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 0.20 0.99 1.43 -0.04 -4.87 118.68 119.64 3d29 s LEU 81 Ca 0.00 -0.05 -0.15 0.00 -1.03 0.00 0.00 54.13 52.90 3d29 s LEU 81 Cb 0.00 -2.54 0.21 0.00 0.03 0.00 0.00 46.19 43.88 3d29 s LEU 81 CO 0.00 -2.18 1.62 0.40 0.23 0.00 0.00 176.35 176.42 3d29 h ILE 82 N 6.61 0.35 -1.01 -0.59 1.08 -1.93 0.14 117.51 122.16 3d29 h ILE 82 Ca -0.23 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.39 3d29 h ILE 82 Cb 1.11 0.35 -0.09 0.00 -3.07 0.00 0.00 36.82 35.12 3d29 h ILE 82 CO 1.25 0.00 0.63 -0.65 -0.69 0.00 0.00 178.15 178.68 3d29 h PRO 83 N -0.03 0.87 -0.48 2.37 0.11 -1.99 0.25 132.00 133.10 3d29 h PRO 83 Ca 0.28 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.29 3d29 h PRO 83 Cb 0.47 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 3d29 h PRO 83 CO -0.63 0.58 0.11 -0.44 -0.21 0.00 0.00 178.00 177.41 3d29 h ASP 84 N 0.90 0.67 -0.19 -2.05 3.45 -1.13 -1.95 116.42 116.13 3d29 h ASP 84 Ca 0.53 -0.11 -0.02 0.00 0.43 0.00 0.00 57.03 57.87 3d29 h ASP 84 Cb 0.66 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.25 3d29 h ASP 84 CO -0.32 0.67 0.06 1.23 -1.57 0.00 0.00 179.24 179.31 3d29 h GLY 85 N 0.91 0.31 0.94 2.75 0.00 0.14 -1.94 103.07 106.18 3d29 h GLY 85 Ca 0.16 -0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.32 3d29 h GLY 85 CO -0.00 0.17 0.41 3.21 0.00 0.00 0.00 176.54 180.33 3d29 h ARG 86 N 0.12 0.80 -0.53 4.80 3.08 -0.95 -1.67 114.38 120.03 3d29 h ARG 86 Ca 0.06 -0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.15 3d29 h ARG 86 Cb 0.23 -0.18 -0.07 0.00 0.08 0.00 0.00 29.97 30.03 3d29 h ARG 86 CO -0.00 0.53 0.12 1.25 -1.07 0.00 0.00 179.97 180.80 3d29 h HIS 87 N 0.82 0.20 -0.43 3.04 2.76 -1.14 0.18 115.15 120.58 3d29 h HIS 87 Ca 0.25 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.39 3d29 h HIS 87 Cb -0.04 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 28.89 3d29 h HIS 87 CO -0.04 0.01 0.04 1.25 -1.30 0.00 0.00 177.93 177.89 3d29 h LEU 88 N 0.27 0.64 -0.70 0.26 5.85 -0.76 -2.45 115.31 118.41 3d29 h LEU 88 Ca 0.27 -0.13 -0.13 0.00 0.84 0.00 0.00 57.88 58.73 3d29 h LEU 88 Cb 0.36 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3d29 h LEU 88 CO -0.33 0.69 -0.46 0.58 -0.34 0.00 0.00 178.44 178.57 3d29 h VAL 89 N 0.65 1.32 -0.77 1.05 2.07 -0.34 -1.00 116.25 119.22 3d29 h VAL 89 Ca 0.14 -1.66 -0.03 0.00 0.82 0.00 0.00 66.70 65.97 3d29 h VAL 89 Cb 0.35 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 3d29 h VAL 89 CO 0.01 0.51 0.38 0.78 0.02 0.00 0.00 177.57 179.27 3d29 h ASN 90 N 0.36 1.00 -0.38 0.57 -0.26 -0.68 0.91 115.58 117.10 3d29 h ASN 90 Ca 0.02 -0.13 -0.09 0.00 -0.56 0.00 0.00 56.30 55.54 3d29 h ASN 90 Cb 0.95 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.94 3d29 h ASN 90 CO 0.08 0.84 -0.09 -0.09 -1.06 0.00 0.00 177.43 177.11 3d29 h ARG 91 N 1.08 0.81 -0.51 0.81 9.65 -1.11 -2.21 114.38 122.90 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 28.59 3d29 h ARG 91 CO -0.04 0.88 0.20 0.78 2.80 0.00 0.00 179.97 184.60 3d29 h GLY 92 N 0.97 0.83 1.00 2.80 0.00 -0.37 0.12 103.07 108.42 3d29 h GLY 92 Ca 0.13 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 3d29 h GLY 92 CO 0.04 0.43 0.34 3.21 0.00 0.00 0.00 176.54 180.56 3d29 h ARG 93 N 0.69 0.86 -0.39 4.80 3.08 -0.60 0.43 114.38 123.25 3d29 h ARG 93 Ca 0.17 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 3d29 h ARG 93 Cb 0.20 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 3d29 h ARG 93 CO -0.01 0.65 0.07 0.93 -1.07 0.00 0.00 179.97 180.54 3d29 h GLU 94 N 0.84 0.64 -0.53 0.04 5.08 -1.22 0.24 114.58 119.68 3d29 h GLU 94 Ca 0.22 -0.17 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 3d29 h GLU 94 Cb 0.04 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 3d29 h GLU 94 CO -0.04 0.68 0.29 1.49 -1.00 0.00 0.00 179.01 180.44 3d29 h GLU 95 N 0.49 0.55 -0.36 2.33 4.57 -0.26 0.31 114.58 122.21 3d29 h GLU 95 Ca 0.12 -0.03 -0.14 0.00 -1.18 0.00 0.00 59.36 58.13 3d29 h GLU 95 Cb 0.35 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 3d29 h GLU 95 CO 0.01 0.36 -0.34 0.00 -1.18 0.00 0.00 179.01 177.86 3d29 h ALA 96 N 1.26 0.72 -0.58 2.92 0.00 0.06 -2.41 119.26 121.24 3d29 h ALA 96 Ca 0.22 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 3d29 h ALA 96 Cb 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3d29 h ALA 96 CO -0.13 0.66 0.14 0.00 0.00 0.00 0.00 179.25 179.92 3d29 h ALA 97 N 0.94 0.77 -0.58 0.00 0.00 -0.43 -1.94 119.26 118.02 3d29 h ALA 97 Ca 0.07 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 3d29 h ALA 97 Cb 0.89 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3d29 h ALA 97 CO 0.08 0.48 0.04 1.03 0.00 0.00 0.00 179.25 180.89 3d29 h SER 98 N 0.85 0.93 -0.27 0.00 0.87 -0.88 -1.37 113.55 113.68 3d29 h SER 98 Ca 0.18 -0.23 -0.04 0.00 -1.23 0.00 0.00 61.79 60.47 3d29 h SER 98 Cb 0.36 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 3d29 h SER 98 CO 0.00 0.96 0.02 0.15 -0.53 0.00 0.00 176.83 177.44 3d29 h PHE 99 N 0.90 0.49 -0.41 2.24 3.04 -1.26 -3.12 116.94 118.83 3d29 h PHE 99 Ca 0.17 -0.08 -0.06 0.00 3.98 0.00 0.00 57.97 61.99 3d29 h PHE 99 Cb 0.47 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.83 3d29 h PHE 99 CO 0.03 0.58 0.02 -0.22 -2.02 0.00 0.00 178.31 176.71 3d29 h LYS 100 N 0.26 0.70 -0.94 1.11 3.64 -1.21 -1.17 116.57 118.95 3d29 h LYS 100 Ca 0.08 -0.21 0.15 0.00 -1.27 0.00 0.00 60.65 59.40 3d29 h LYS 100 Cb 0.37 -0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 32.03 3d29 h LYS 100 CO 0.01 0.77 0.55 -0.22 -2.27 0.00 0.00 179.45 178.29 3d29 h LYS 101 N 0.54 0.76 0.13 1.90 3.64 -1.26 0.69 116.57 122.97 3d29 h LYS 101 Ca 0.12 -0.05 -0.36 0.00 -1.27 0.00 0.00 60.65 59.09 3d29 h LYS 101 Cb 0.44 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3d29 h LYS 101 CO 0.02 0.51 -1.93 1.25 -2.27 0.00 0.00 179.45 177.02 3d29 h LEU 102 N 0.79 0.44 -1.47 5.20 5.85 -1.47 -3.39 115.31 121.26 3d29 h LEU 102 Ca 0.51 -0.94 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3d29 h LEU 102 Cb 0.67 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3d29 h LEU 102 CO -0.34 1.84 -0.23 -1.22 -0.34 0.00 0.00 178.44 178.16 3d29 n TYR 103 N -3.53 0.00 0.00 1.25 4.01 -0.45 -4.98 117.16 113.45 3d29 n TYR 103 Ca -0.31 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.43 3d29 n TYR 103 Cb 1.04 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.07 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 0.68 0.00 -2.26 -0.72 3.00 0.24 -4.92 118.16 114.18 3d29 n LYS 104 Ca 0.12 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 58.02 3d29 n LYS 104 Cb 0.53 -0.05 -0.03 0.00 0.00 0.00 0.00 35.03 35.48 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 3.27 0.51 3.15 -1.32 -1.26 -4.84 115.64 115.15 3d29 s THR 105 Ca 0.00 1.07 -0.22 0.00 -1.21 0.00 0.00 61.69 61.33 3d29 s THR 105 Cb 0.00 -3.68 -0.07 0.00 -1.51 0.00 0.00 72.50 67.24 3d29 s THR 105 CO 0.00 0.17 1.18 -0.81 -2.21 0.00 0.00 174.62 172.95 3d29 n PRO 106 N 2.39 1.48 -1.69 7.08 -0.04 -1.26 -4.33 135.00 138.62 3d29 n PRO 106 Ca 0.05 0.54 -0.43 0.00 -0.04 0.00 0.00 63.50 63.62 3d29 n PRO 106 Cb 0.43 -2.34 -0.03 0.00 -0.04 0.00 0.00 33.50 31.52 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 -0.96 0.37 -1.82 0.52 3.06 -1.26 -4.95 119.36 114.32 3d29 n ILE 107 Ca 0.10 -0.07 -0.40 0.00 -2.50 0.00 0.00 62.75 59.89 3d29 n ILE 107 Cb 0.43 -2.08 0.01 0.00 0.54 0.00 0.00 39.64 38.55 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 3.74 0.22 9.51 0.02 -1.26 -4.78 135.00 145.22 3d29 s PRO 108 Ca 0.83 2.40 -0.07 0.00 0.02 0.00 0.00 61.00 64.18 3d29 s PRO 108 Cb -0.51 -2.69 0.33 0.00 0.02 0.00 0.00 34.50 31.66 3d29 s PRO 108 CO 0.38 -0.77 1.78 0.82 -0.33 0.00 0.00 177.00 178.89 3d29 h ILE 109 N 2.36 0.87 -0.99 2.83 1.08 -1.91 -0.45 117.51 121.29 3d29 h ILE 109 Ca -0.51 -0.21 0.03 0.00 -0.39 0.00 0.00 64.86 63.78 3d29 h ILE 109 Cb 1.26 0.19 -0.06 0.00 -3.07 0.00 0.00 36.82 35.14 3d29 h ILE 109 CO 0.61 0.11 0.65 -0.65 -0.69 0.00 0.00 178.15 178.19 3d29 h PRO 110 N 0.62 1.23 -0.31 2.37 0.11 -1.98 0.08 132.00 134.12 3d29 h PRO 110 Ca 0.35 -0.07 -0.13 0.00 0.11 0.00 0.00 66.00 66.25 3d29 h PRO 110 Cb 0.34 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 3d29 h PRO 110 CO -0.26 0.81 -0.35 0.00 -0.21 0.00 0.00 178.00 177.99 3d29 h ALA 111 N 1.42 0.81 -0.53 -0.75 0.00 -1.61 -2.67 119.26 115.92 3d29 h ALA 111 Ca 0.39 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3d29 h ALA 111 Cb -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3d29 h ALA 111 CO -0.12 0.65 0.23 0.35 0.00 0.00 0.00 179.25 180.35 3d29 h PHE 112 N 0.58 0.79 -0.20 0.00 3.57 -0.42 -1.91 116.94 119.35 3d29 h PHE 112 Ca 0.06 -0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.55 3d29 h PHE 112 Cb 0.87 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.33 3d29 h PHE 112 CO 0.04 0.64 -0.08 0.00 -2.23 0.00 0.00 178.31 176.68 3d29 h ALA 113 N 1.07 0.09 0.00 2.41 0.00 -0.75 -0.88 119.26 121.20 3d29 h ALA 113 Ca 0.18 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 3d29 h ALA 113 Cb 0.17 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3d29 h ALA 113 CO -0.02 -0.51 -0.22 0.22 0.00 0.00 0.00 179.25 178.72 3d29 h ASP 114 N -0.05 0.00 -0.27 0.00 -0.00 -1.32 0.81 116.42 115.60 3d29 h ASP 114 Ca 0.11 0.00 -0.02 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 -0.24 0.22 0.07 0.03 -0.00 0.00 0.00 179.24 179.33 3d29 h ARG 115 N 0.00 0.42 -0.60 0.28 2.47 -0.37 -0.22 114.38 116.36 3d29 h ARG 115 Ca -0.00 -0.10 -0.09 0.00 -1.26 0.00 0.00 59.98 58.53 3d29 h ARG 115 Cb 0.43 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.67 3d29 h ARG 115 CO 0.03 0.50 0.01 -0.07 0.56 0.00 0.00 179.97 181.00 3d29 h LEU 116 N 0.26 1.02 -0.13 3.04 3.38 -0.75 -3.00 115.31 119.13 3d29 h LEU 116 Ca 0.08 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.79 3d29 h LEU 116 Cb 0.27 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3d29 h LEU 116 CO -0.00 1.07 0.04 1.23 0.09 0.00 0.00 178.44 180.86 3d29 h GLY 117 N 1.00 0.16 1.37 0.83 0.00 -0.52 -0.52 103.07 105.38 3d29 h GLY 117 Ca 0.17 -0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 3d29 h GLY 117 CO 0.03 0.01 0.12 1.46 0.00 0.00 0.00 176.54 178.17 3d29 h GLN 118 N 0.10 0.79 -0.16 4.80 1.08 -1.04 0.66 115.11 121.34 3d29 h GLN 118 Ca 0.06 -0.16 -0.03 0.00 -1.45 0.00 0.00 58.65 57.07 3d29 h GLN 118 Cb 0.04 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 3d29 h GLN 118 CO -0.07 0.72 -0.01 -0.92 -0.95 0.00 0.00 178.83 177.60 3d29 h TYR 119 N 0.77 0.31 -0.37 2.96 3.20 -1.35 0.41 116.97 122.90 3d29 h TYR 119 Ca 0.17 -0.06 -0.10 0.00 3.14 0.00 0.00 58.73 61.88 3d29 h TYR 119 Cb 0.28 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 3d29 h TYR 119 CO 0.02 0.51 -0.20 0.28 -1.64 0.00 0.00 178.16 177.13 3d29 h VAL 120 N 0.02 1.27 -0.35 1.81 2.07 -0.85 -2.32 116.25 117.89 3d29 h VAL 120 Ca 0.04 -1.27 -0.08 0.00 0.82 0.00 0.00 66.70 66.22 3d29 h VAL 120 Cb 0.40 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3d29 h VAL 120 CO 0.01 0.42 -0.11 -0.61 0.02 0.00 0.00 177.57 177.30 3d29 h GLN 121 N 0.62 0.60 -0.21 1.57 -0.00 -0.71 -2.29 115.11 114.69 3d29 h GLN 121 Ca 0.09 -0.18 0.06 0.00 -0.00 0.00 0.00 58.65 58.62 3d29 h GLN 121 Cb 0.67 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 28.08 3d29 h GLN 121 CO 0.05 0.71 0.15 0.00 0.00 0.00 0.00 178.83 179.73 3d29 h ALA 122 N 1.33 2.16 -0.04 3.38 0.00 -0.34 -1.61 119.26 124.14 3d29 h ALA 122 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3d29 h ALA 122 Cb 0.52 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3d29 h ALA 122 CO 0.03 -0.22 0.00 0.72 0.00 0.00 0.00 179.25 179.78 3d29 n HIS 123 N -4.48 0.15 -0.47 0.00 8.25 -0.86 -2.49 115.22 115.32 3d29 n HIS 123 Ca 0.02 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 3d29 n HIS 123 Cb 0.27 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.25 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 0.04 0.36 0.62 1.59 -2.24 -0.60 -3.42 114.28 110.62 3d29 n THR 124 Ca 0.02 -0.45 0.11 0.00 -2.27 0.00 0.00 64.05 61.46 3d29 n THR 124 Cb 0.32 0.97 -0.11 0.00 -2.10 0.00 0.00 70.33 69.41 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 -0.18 0.62 -4.08 3.22 4.77 -1.04 -4.36 117.00 115.95 3d29 n LEU 125 Ca 0.00 -0.26 -0.11 0.00 -0.03 0.00 0.00 56.01 55.61 3d29 n LEU 125 Cb 0.29 -0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.25 3d29 n LEU 125 CO 0.00 0.14 -0.39 -0.31 -1.33 0.00 0.00 177.39 175.50 3d29 s TYR 126 N -3.19 0.66 -1.58 -1.77 2.02 -1.26 -4.78 117.35 107.44 3d29 s TYR 126 Ca 0.02 -0.66 0.28 0.00 -0.37 0.00 0.00 57.07 56.34 3d29 s TYR 126 Cb 0.15 -0.40 1.07 0.00 -0.40 0.00 0.00 41.96 42.38 3d29 s TYR 126 CO 0.87 -0.14 1.77 0.27 -1.57 0.00 0.00 175.55 176.74 3d29 n ASN 127 N 0.97 0.56 -0.12 2.29 2.04 -1.26 -3.50 115.26 116.25 3d29 n ASN 127 Ca -0.19 -0.55 0.14 0.00 -0.44 0.00 0.00 54.58 53.53 3d29 n ASN 127 Cb 0.57 -0.03 0.62 0.00 -2.53 0.00 0.00 39.78 38.41 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 -0.96 0.48 -4.31 0.53 3.41 -1.26 -4.70 113.62 106.81 3d29 n SER 128 Ca 0.13 -0.62 -0.16 0.00 -0.26 0.00 0.00 58.87 57.96 3d29 n SER 128 Cb 0.30 -0.07 -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 -2.44 1.08 -0.02 -3.33 -7.23 -1.23 -5.16 120.40 102.09 3d29 s VAL 129 Ca 0.30 -2.05 0.03 0.00 -1.81 0.00 0.00 61.98 58.45 3d29 s VAL 129 Cb 0.20 -2.19 -0.03 0.00 0.56 0.00 0.00 36.38 34.91 3d29 s VAL 129 CO 0.47 -0.45 -0.08 -0.60 -0.31 0.00 0.00 175.10 174.12 3d29 s ARG 130 N -3.83 2.57 0.81 4.82 3.52 -1.26 -4.80 118.95 120.78 3d29 s ARG 130 Ca 0.25 -0.69 -0.11 0.00 -0.13 0.00 0.00 55.73 55.04 3d29 s ARG 130 Cb 0.05 -2.49 0.08 0.00 -1.56 0.00 0.00 34.95 31.03 3d29 s ARG 130 CO 0.06 0.62 1.13 -2.14 -0.81 0.00 0.00 175.30 174.16 3d29 s PRO 131 N -1.21 1.81 0.26 5.12 0.02 -1.22 -4.93 135.00 134.85 3d29 s PRO 131 Ca 0.15 1.42 -0.30 0.00 0.02 0.00 0.00 61.00 62.30 3d29 s PRO 131 Cb -0.11 -1.83 -0.09 0.00 0.02 0.00 0.00 34.50 32.49 3d29 s PRO 131 CO 0.05 -2.02 1.28 -0.06 -0.33 0.00 0.00 177.00 175.93 3d29 s PHE 132 N -2.62 3.23 -0.59 6.54 0.40 -1.26 -4.92 117.98 118.75 3d29 s PHE 132 Ca 0.66 1.36 -0.02 0.00 -0.60 0.00 0.00 56.93 58.32 3d29 s PHE 132 Cb -0.21 -3.59 0.30 0.00 0.51 0.00 0.00 43.02 40.03 3d29 s PHE 132 CO 0.54 -1.69 2.16 0.41 0.70 0.00 0.00 175.22 177.33 3d29 n GLY 133 N 1.63 5.11 3.27 4.36 0.00 -1.26 -4.54 105.19 113.76 3d29 n GLY 133 Ca 0.03 -1.98 -0.11 0.00 0.00 0.00 0.00 46.02 43.95 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 -3.83 0.08 -0.07 1.61 -7.23 -1.26 -0.86 120.40 108.84 3d29 s VAL 134 Ca 0.53 -0.65 0.04 0.00 -1.81 0.00 0.00 61.98 60.09 3d29 s VAL 134 Cb 0.41 -1.00 -0.02 0.00 0.56 0.00 0.00 36.38 36.33 3d29 s VAL 134 CO -0.14 -0.36 -0.20 -0.44 -0.31 0.00 0.00 175.10 173.66 3d29 s SER 135 N -2.20 3.53 -0.05 4.85 0.01 -1.03 -3.78 113.70 115.03 3d29 s SER 135 Ca -0.03 -0.39 0.06 0.00 1.31 0.00 0.00 55.95 56.90 3d29 s SER 135 Cb -0.00 -1.03 -0.01 0.00 0.21 0.00 0.00 66.02 65.19 3d29 s SER 135 CO -0.05 0.25 -0.23 -0.89 0.41 0.00 0.00 173.24 172.73 3d29 s THR 136 N -0.18 1.87 -0.20 1.44 2.01 0.13 -2.18 115.64 118.53 3d29 s THR 136 Ca -0.02 -0.97 -0.04 0.00 0.31 0.00 0.00 61.69 60.97 3d29 s THR 136 Cb -0.14 -1.58 -0.02 0.00 0.01 0.00 0.00 72.50 70.77 3d29 s THR 136 CO 0.03 0.52 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.84 3d29 s ILE 137 N -0.19 3.77 0.19 1.82 1.01 0.15 0.22 121.20 128.17 3d29 s ILE 137 Ca -0.01 -0.38 -0.16 0.00 0.00 0.00 0.00 60.65 60.10 3d29 s ILE 137 Cb -0.12 -2.69 0.02 0.00 0.01 0.00 0.00 42.46 39.67 3d29 s ILE 137 CO 0.02 0.44 0.47 0.72 0.00 0.00 0.00 174.94 176.60 3d29 s PHE 138 N 1.00 -0.01 -3.53 3.97 -0.12 -0.08 -0.67 117.98 118.53 3d29 s PHE 138 Ca 0.01 -0.34 0.00 0.00 -0.05 0.00 0.00 56.93 56.55 3d29 s PHE 138 Cb -0.14 0.30 0.00 0.00 -0.63 0.00 0.00 43.02 42.54 3d29 s PHE 138 CO 0.01 -0.88 0.00 0.41 -0.05 0.00 0.00 175.22 174.72 3d29 n GLY 139 N -0.31 -2.00 0.00 1.99 0.00 -0.75 -0.25 105.19 103.85 3d29 n GLY 139 Ca -0.09 -1.19 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 -0.44 0.56 3.52 -0.02 0.00 -0.89 -1.11 105.19 106.81 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 -2.03 3.52 0.00 1.61 1.01 -1.25 -1.21 120.40 122.06 3d29 s VAL 141 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.45 3d29 s VAL 141 Cb 0.00 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.93 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 2.63 0.15 -0.36 3.32 3.85 0.57 -4.91 116.55 121.80 3d29 n ASP 142 Ca -0.18 -0.45 0.27 0.00 -0.71 0.00 0.00 54.79 53.72 3d29 n ASP 142 Cb 0.53 0.00 0.55 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 -0.86 0.11 3.64 -1.98 -2.25 116.57 115.52 3d29 h LYS 143 Ca 0.00 -0.02 -0.59 0.00 -1.27 0.00 0.00 60.65 58.77 3d29 h LYS 143 Cb 0.00 -0.07 -0.39 0.00 -0.41 0.00 0.00 32.23 31.36 3d29 h LYS 143 CO 0.00 0.19 -0.35 0.09 -2.27 0.00 0.00 179.45 177.11 3d29 n ASN 144 N -4.66 5.67 0.00 4.20 4.13 -1.26 -5.09 115.26 118.25 3d29 n ASN 144 Ca 0.29 -3.76 0.00 0.00 1.68 0.00 0.00 54.58 52.79 3d29 n ASN 144 Cb 1.04 -0.52 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 -0.75 -1.61 3.93 7.41 0.00 -0.85 -4.99 105.19 108.33 3d29 n GLY 145 Ca 0.49 -2.05 -0.28 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 3.88 -0.09 4.61 0.00 -1.26 -0.31 121.76 126.59 3d29 s ALA 146 Ca 0.00 -0.84 -0.06 0.00 0.00 0.00 0.00 51.96 51.06 3d29 s ALA 146 Cb 0.00 -1.94 0.03 0.00 0.00 0.00 0.00 23.12 21.21 3d29 s ALA 146 CO 0.00 0.54 0.22 -1.01 0.00 0.00 0.00 175.76 175.51 3d29 s HIS 147 N -1.77 -0.26 -0.06 0.00 4.02 -0.35 -4.98 115.29 111.90 3d29 s HIS 147 Ca 0.37 0.63 0.04 0.00 1.02 0.00 0.00 55.06 57.13 3d29 s HIS 147 Cb -0.11 0.05 -0.00 0.00 -1.02 0.00 0.00 32.58 31.49 3d29 s HIS 147 CO 0.28 -0.16 -0.20 -1.17 1.02 0.00 0.00 174.74 174.51 3d29 s LEU 148 N 0.62 1.96 0.07 0.89 2.96 -1.26 -2.09 118.68 121.83 3d29 s LEU 148 Ca -0.04 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 3d29 s LEU 148 Cb -0.06 -1.16 -0.04 0.00 0.50 0.00 0.00 46.19 45.44 3d29 s LEU 148 CO -0.03 0.16 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.79 3d29 s TYR 149 N 0.14 0.75 -0.03 5.38 2.02 0.65 -0.78 117.35 125.48 3d29 s TYR 149 Ca -0.09 -0.84 0.01 0.00 -0.37 0.00 0.00 57.07 55.78 3d29 s TYR 149 Cb -0.14 -0.45 0.02 0.00 -0.40 0.00 0.00 41.96 40.98 3d29 s TYR 149 CO 0.04 -0.18 -0.03 1.41 -1.57 0.00 0.00 175.55 175.22 3d29 s MET 150 N -3.29 0.55 -0.10 -0.62 -2.45 -1.21 -0.91 119.30 111.27 3d29 s MET 150 Ca 0.05 -0.08 0.04 0.00 -1.25 0.00 0.00 55.69 54.46 3d29 s MET 150 Cb 0.02 -0.60 0.00 0.00 1.25 0.00 0.00 34.83 35.50 3d29 s MET 150 CO -0.05 -0.04 -0.24 -1.17 1.05 0.00 0.00 175.02 174.58 3d29 s LEU 151 N 0.63 2.09 0.36 4.11 2.96 0.13 -3.41 118.68 125.55 3d29 s LEU 151 Ca -0.07 -0.56 0.04 0.00 -0.22 0.00 0.00 54.13 53.32 3d29 s LEU 151 Cb -0.11 -1.41 -0.01 0.00 0.50 0.00 0.00 46.19 45.17 3d29 s LEU 151 CO -0.00 0.16 0.53 -1.61 -1.32 0.00 0.00 176.35 174.10 3d29 s GLU 152 N 0.34 3.18 0.60 1.98 0.41 0.71 -0.69 118.70 125.23 3d29 s GLU 152 Ca -0.19 -0.74 0.37 0.00 -0.41 0.00 0.00 54.97 54.00 3d29 s GLU 152 Cb -0.18 -2.73 2.02 0.00 -1.78 0.00 0.00 34.13 31.46 3d29 s GLU 152 CO 0.09 0.01 2.13 -1.35 -0.49 0.00 0.00 175.26 175.65 3d29 h PRO 153 N 0.75 0.00 0.00 0.39 0.11 -1.80 0.17 132.00 131.63 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 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 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 0.95 0.60 3.77 -0.77 0.00 0.61 -4.46 105.19 105.89 3d29 n GLY 155 Ca 0.04 0.00 -0.39 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 -2.04 7.07 -0.05 1.61 0.15 -1.25 -4.76 113.70 114.43 3d29 s SER 156 Ca 0.00 2.23 -0.30 0.00 0.70 0.00 0.00 55.95 58.58 3d29 s SER 156 Cb 0.00 -2.62 0.07 0.00 -1.71 0.00 0.00 66.02 61.76 3d29 s SER 156 CO 0.00 -0.28 0.66 -0.72 1.20 0.00 0.00 173.24 174.10 3d29 s TYR 157 N -1.30 -0.64 0.21 3.44 -0.85 -1.26 -0.21 117.35 116.75 3d29 s TYR 157 Ca 0.49 1.10 -0.10 0.00 -0.52 0.00 0.00 57.07 58.04 3d29 s TYR 157 Cb -0.30 0.39 -0.01 0.00 0.38 0.00 0.00 41.96 42.43 3d29 s TYR 157 CO 0.38 -0.60 0.36 -1.58 -1.52 0.00 0.00 175.55 172.59 3d29 s TRP 158 N -1.17 0.51 0.23 -3.49 0.52 -1.22 -5.02 118.94 109.30 3d29 s TRP 158 Ca -0.11 -0.84 -0.22 0.00 0.02 0.00 0.00 56.10 54.95 3d29 s TRP 158 Cb -0.00 -0.01 -0.08 0.00 -1.15 0.00 0.00 33.47 32.22 3d29 s TRP 158 CO 0.10 -0.85 0.77 0.20 0.02 0.00 0.00 176.95 177.19 3d29 s GLY 159 N -3.03 2.71 0.17 0.98 0.00 -1.26 -3.32 107.32 103.57 3d29 s GLY 159 Ca 0.24 0.27 0.06 0.00 0.00 0.00 0.00 44.72 45.28 3d29 s GLY 159 CO 0.07 0.67 -0.12 -0.19 0.00 0.00 0.00 173.10 173.53 3d29 s TYR 160 N -1.46 1.46 -0.13 1.90 1.51 0.04 -4.99 117.35 115.69 3d29 s TYR 160 Ca 0.42 -0.67 -0.05 0.00 -1.01 0.00 0.00 57.07 55.76 3d29 s TYR 160 Cb -0.18 -0.71 -0.25 0.00 -0.11 0.00 0.00 41.96 40.70 3d29 s TYR 160 CO 0.23 0.20 0.34 1.63 -1.11 0.00 0.00 175.55 176.83 3d29 n LYS 161 N -0.26 0.74 -3.78 -0.62 5.02 -1.26 -4.33 118.16 113.68 3d29 n LYS 161 Ca -0.09 0.25 -0.13 0.00 -2.02 0.00 0.00 58.31 56.32 3d29 n LYS 161 Cb 0.60 -1.70 -0.09 0.00 -0.02 0.00 0.00 35.03 33.82 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 -5.63 -0.15 -0.03 0.72 0.00 -1.26 -1.55 107.32 99.42 3d29 s GLY 162 Ca -0.22 0.39 -0.11 0.00 0.00 0.00 0.00 44.72 44.78 3d29 s GLY 162 CO 0.76 0.21 0.25 0.00 0.00 0.00 0.00 173.10 174.32 3d29 s ALA 163 N -1.00 -0.62 0.04 3.20 0.00 0.38 -4.97 121.76 118.79 3d29 s ALA 163 Ca -0.11 0.31 -0.10 0.00 0.00 0.00 0.00 51.96 52.06 3d29 s ALA 163 Cb -0.05 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.02 3d29 s ALA 163 CO 0.03 -0.21 0.22 0.00 0.00 0.00 0.00 175.76 175.80 3d29 s ALA 164 N -0.94 -0.44 0.12 0.00 0.00 -1.26 -0.27 121.76 118.97 3d29 s ALA 164 Ca -0.10 -0.22 -0.20 0.00 0.00 0.00 0.00 51.96 51.44 3d29 s ALA 164 Cb -0.05 0.30 0.05 0.00 0.00 0.00 0.00 23.12 23.42 3d29 s ALA 164 CO 0.02 -0.38 0.51 -0.08 0.00 0.00 0.00 175.76 175.83 3d29 s THR 165 N -2.60 0.03 0.00 0.00 -1.32 -0.70 -4.94 115.64 106.11 3d29 s THR 165 Ca -0.05 -0.28 0.00 0.00 -1.21 0.00 0.00 61.69 60.16 3d29 s THR 165 Cb -0.01 -1.06 0.00 0.00 -1.51 0.00 0.00 72.50 69.92 3d29 s THR 165 CO -0.04 -0.15 0.00 0.61 -2.21 0.00 0.00 174.62 172.83 3d29 n GLY 166 N -0.15 -1.46 0.37 6.08 0.00 -1.26 -1.47 105.19 107.31 3d29 n GLY 166 Ca -0.17 -2.11 -0.04 0.00 0.00 0.00 0.00 46.02 43.70 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 1.69 -0.09 -1.01 1.61 1.63 -0.48 -1.57 116.57 118.35 3d29 h LYS 167 Ca 0.00 0.01 -0.53 0.00 -0.85 0.00 0.00 60.65 59.28 3d29 h LYS 167 Cb 0.00 0.02 -0.29 0.00 -0.60 0.00 0.00 32.23 31.36 3d29 h LYS 167 CO 0.00 -0.06 0.67 0.41 -3.45 0.00 0.00 179.45 177.03 3d29 n GLY 168 N -1.44 4.68 0.36 5.01 0.00 -1.26 -4.63 105.19 107.90 3d29 n GLY 168 Ca 0.06 -1.29 0.13 0.00 0.00 0.00 0.00 46.02 44.92 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 1.17 0.35 -0.19 1.61 0.11 -1.52 -2.33 114.38 113.58 3d29 h ARG 169 Ca 0.60 -0.02 -0.07 0.00 0.10 0.00 0.00 59.98 60.59 3d29 h ARG 169 Cb 2.36 -0.08 -0.00 0.00 1.11 0.00 0.00 29.97 33.36 3d29 h ARG 169 CO 1.16 0.23 -0.16 1.96 0.10 0.00 0.00 179.97 183.26 3d29 h GLN 170 N 0.36 0.44 0.33 0.08 7.50 -1.84 0.18 115.11 122.15 3d29 h GLN 170 Ca 0.28 -0.22 -0.01 0.00 0.50 0.00 0.00 58.65 59.20 3d29 h GLN 170 Cb 0.61 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.13 3d29 h GLN 170 CO -0.07 0.78 -0.25 0.77 -1.50 0.00 0.00 178.83 178.56 3d29 h SER 171 N 0.11 -0.65 0.01 1.46 0.02 -1.83 -0.83 113.55 111.83 3d29 h SER 171 Ca 0.03 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.06 3d29 h SER 171 Cb 0.68 0.21 -0.05 0.00 0.14 0.00 0.00 62.40 63.38 3d29 h SER 171 CO 0.04 -0.38 -0.43 0.00 -1.14 0.00 0.00 176.83 174.92 3d29 h ALA 172 N 0.03 -0.69 -0.98 3.77 0.00 -1.43 0.55 119.26 120.51 3d29 h ALA 172 Ca -0.02 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 54.97 3d29 h ALA 172 Cb 0.51 0.75 -0.08 0.00 0.00 0.00 0.00 17.79 18.96 3d29 h ALA 172 CO -0.01 -0.97 0.62 0.87 0.00 0.00 0.00 179.25 179.76 3d29 h LYS 173 N -0.59 0.86 0.21 0.00 1.57 -0.82 0.42 116.57 118.22 3d29 h LYS 173 Ca 0.04 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3d29 h LYS 173 Cb 0.66 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 3d29 h LYS 173 CO -0.31 0.57 -0.12 0.00 -0.57 0.00 0.00 179.45 179.02 3d29 h ALA 174 N 1.57 -0.30 -0.65 3.86 0.00 0.03 -0.52 119.26 123.24 3d29 h ALA 174 Ca 0.50 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 3d29 h ALA 174 Cb 0.60 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3d29 h ALA 174 CO -0.26 -0.68 0.40 0.93 0.00 0.00 0.00 179.25 179.64 3d29 h GLU 175 N -0.31 0.87 -0.81 0.00 4.39 0.90 -2.26 114.58 117.36 3d29 h GLU 175 Ca -0.02 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.57 3d29 h GLU 175 Cb 0.25 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.68 3d29 h GLU 175 CO 0.03 0.61 0.36 -0.07 -1.16 0.00 0.00 179.01 178.78 3d29 h LEU 176 N 0.88 1.08 -0.99 1.33 -0.00 -0.07 -1.93 115.31 115.61 3d29 h LEU 176 Ca 0.23 -0.15 -0.06 0.00 -0.00 0.00 0.00 57.88 57.91 3d29 h LEU 176 Cb -0.05 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.31 3d29 h LEU 176 CO -0.05 0.93 0.08 -0.33 -0.00 0.00 0.00 178.44 179.07 3d29 h GLU 177 N 1.16 0.81 0.07 1.13 5.08 -0.78 -1.70 114.58 120.35 3d29 h GLU 177 Ca 0.27 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3d29 h GLU 177 Cb 0.16 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 3d29 h GLU 177 CO -0.03 0.76 -0.04 0.87 -1.00 0.00 0.00 179.01 179.57 3d29 h LYS 178 N 0.77 -0.11 -0.53 2.33 1.57 -0.83 -2.08 116.57 117.70 3d29 h LYS 178 Ca 0.16 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.03 3d29 h LYS 178 Cb 0.35 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.62 3d29 h LYS 178 CO 0.01 -0.07 0.15 -0.07 -0.57 0.00 0.00 179.45 178.90 3d29 h LEU 179 N -0.11 0.10 -0.46 2.94 3.38 -1.02 -2.37 115.31 117.77 3d29 h LEU 179 Ca -0.00 0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.12 3d29 h LEU 179 Cb 0.10 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 3d29 h LEU 179 CO 0.00 0.08 0.11 0.58 0.09 0.00 0.00 178.44 179.31 3d29 h VAL 180 N 0.31 0.78 0.00 1.22 2.07 -0.93 -1.79 116.25 117.91 3d29 h VAL 180 Ca 0.27 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.70 3d29 h VAL 180 Cb 0.33 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3d29 h VAL 180 CO -0.30 0.05 0.00 0.47 0.02 0.00 0.00 177.57 177.80 3d29 n ASP 18 N -5.08 1.51 0.00 0.57 8.00 -0.82 -3.73 116.55 117.01 3d29 n ASP 18 Ca 0.04 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.52 3d29 n ASP 18 Cb 0.21 -0.28 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 1.03 0.00 0.28 1.24 8.25 -0.68 -5.06 115.22 120.29 3d29 n HIS 18 Ca 0.00 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.64 3d29 n HIS 18 Cb 0.21 0.00 0.75 0.00 1.12 0.00 0.00 29.99 32.07 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 0.01 -0.42 -0.85 -0.23 0.00 0.00 178.00 176.51 3d29 n GLU 18 N -3.11 0.22 0.00 0.86 -0.00 -1.26 -5.05 120.64 112.30 3d29 n GLU 18 Ca 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 57.16 57.25 3d29 n GLU 18 Cb 0.28 -1.67 0.00 0.00 -0.00 0.00 0.00 31.44 30.05 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 1.37 2.97 3.52 -1.84 0.00 -0.89 -5.02 105.19 105.30 3d29 n GLY 18 Ca 0.04 -1.95 -0.29 0.00 0.00 0.00 0.00 46.02 43.82 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 2.80 0.40 0.99 2.96 -1.26 -4.94 118.68 119.63 3d29 s LEU 184 Ca 0.00 -0.53 -0.00 0.00 -0.22 0.00 0.00 54.13 53.38 3d29 s LEU 184 Cb 0.00 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 45.05 3d29 s LEU 184 CO 0.00 0.17 0.62 -0.94 -1.32 0.00 0.00 176.35 174.88 3d29 s SER 185 N -2.25 6.15 0.21 3.68 1.04 -1.26 -0.28 113.70 120.98 3d29 s SER 185 Ca 0.20 0.46 -0.09 0.00 0.48 0.00 0.00 55.95 57.00 3d29 s SER 185 Cb -0.10 -1.91 0.26 0.00 0.10 0.00 0.00 66.02 64.36 3d29 s SER 185 CO 0.12 -0.46 1.79 0.00 0.98 0.00 0.00 173.24 175.67 3d29 h ALA 186 N 0.57 0.88 -0.39 5.32 0.00 -1.96 0.32 119.26 124.00 3d29 h ALA 186 Ca -0.48 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.47 3d29 h ALA 186 Cb 1.23 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3d29 h ALA 186 CO 0.60 -0.01 0.23 0.00 0.00 0.00 0.00 179.25 180.07 3d29 h ARG 187 N 0.62 0.46 -0.40 0.00 -0.00 -2.00 -1.80 114.38 111.25 3d29 h ARG 187 Ca 0.30 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.98 59.66 3d29 h ARG 187 Cb 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 29.97 30.10 3d29 h ARG 187 CO -0.21 0.30 -0.12 0.93 0.00 0.00 0.00 179.97 180.87 3d29 h GLU 188 N 0.47 0.78 -0.85 0.04 4.39 -1.77 -2.94 114.58 114.70 3d29 h GLU 188 Ca 0.15 -0.31 0.05 0.00 0.34 0.00 0.00 59.36 59.59 3d29 h GLU 188 Cb -0.01 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.55 3d29 h GLU 188 CO -0.06 0.93 0.56 0.00 -1.16 0.00 0.00 179.01 179.27 3d29 h ALA 189 N 0.83 1.53 -0.02 3.43 0.00 -0.19 -0.29 119.26 124.55 3d29 h ALA 189 Ca 0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3d29 h ALA 189 Cb 0.65 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3d29 h ALA 189 CO 0.04 0.36 0.01 0.28 0.00 0.00 0.00 179.25 179.94 3d29 h VAL 190 N 0.99 1.07 -0.14 0.00 2.07 -1.18 0.58 116.25 119.63 3d29 h VAL 190 Ca 0.36 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 3d29 h VAL 190 Cb 0.14 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3d29 h VAL 190 CO -0.12 0.06 0.06 0.11 0.02 0.00 0.00 177.57 177.70 3d29 h LYS 191 N -0.05 0.22 -0.52 1.57 1.57 -1.26 -2.17 116.57 115.92 3d29 h LYS 191 Ca 0.01 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3d29 h LYS 191 Cb 0.08 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 3d29 h LYS 191 CO -0.00 0.30 0.35 0.37 -0.57 0.00 0.00 179.45 179.90 3d29 h GLN 192 N 0.08 0.68 -0.31 3.15 5.75 -1.03 -1.68 115.11 121.75 3d29 h GLN 192 Ca 0.05 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 3d29 h GLN 192 Cb 0.17 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 3d29 h GLN 192 CO -0.00 0.45 0.06 0.00 -2.65 0.00 0.00 178.83 176.69 3d29 h ALA 193 N 1.68 0.41 -0.83 3.38 0.00 -0.59 -0.94 119.26 122.36 3d29 h ALA 193 Ca 0.19 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3d29 h ALA 193 Cb -0.07 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 3d29 h ALA 193 CO -0.04 0.09 0.55 0.00 0.00 0.00 0.00 179.25 179.84 3d29 h ALA 194 N 0.89 1.48 0.27 0.00 0.00 -0.70 -1.80 119.26 119.41 3d29 h ALA 194 Ca 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3d29 h ALA 194 Cb 0.32 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3d29 h ALA 194 CO 0.00 0.44 -0.13 -0.22 0.00 0.00 0.00 179.25 179.35 3d29 h LYS 195 N 1.04 -0.35 -0.96 0.00 3.64 -1.02 -2.20 116.57 116.71 3d29 h LYS 195 Ca 0.33 0.02 0.19 0.00 -1.27 0.00 0.00 60.65 59.92 3d29 h LYS 195 Cb 0.01 0.08 -0.11 0.00 -0.41 0.00 0.00 32.23 31.80 3d29 h LYS 195 CO -0.09 -0.02 0.55 0.82 -2.27 0.00 0.00 179.45 178.44 3d29 h ILE 196 N -0.72 0.67 -0.22 2.00 1.08 -0.92 0.14 117.51 119.55 3d29 h ILE 196 Ca -0.04 -0.23 -0.04 0.00 -0.39 0.00 0.00 64.86 64.16 3d29 h ILE 196 Cb 0.49 -0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 34.16 3d29 h ILE 196 CO 0.06 0.12 -0.01 0.40 -0.69 0.00 0.00 178.15 178.04 3d29 h ILE 197 N 0.68 1.26 -0.58 -0.67 1.08 -1.30 -0.18 117.51 117.80 3d29 h ILE 197 Ca 0.56 -0.92 0.04 0.00 -0.39 0.00 0.00 64.86 64.15 3d29 h ILE 197 Cb 0.89 1.43 -0.04 0.00 -3.07 0.00 0.00 36.82 36.02 3d29 h ILE 197 CO -0.40 0.28 0.33 1.88 -0.69 0.00 0.00 178.15 179.55 3d29 h TYR 198 N 0.15 0.61 0.20 1.37 -1.99 -0.36 -1.26 116.97 115.69 3d29 h TYR 198 Ca 0.06 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.80 3d29 h TYR 198 Cb 0.42 -0.19 0.00 0.00 2.00 0.00 0.00 36.73 38.97 3d29 h TYR 198 CO 0.04 0.32 -0.10 -0.07 -0.00 0.00 0.00 178.16 178.35 3d29 h LEU 199 N 0.63 -0.23 -0.22 3.88 4.07 -0.72 -2.52 115.31 120.20 3d29 h LEU 199 Ca 0.25 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.08 3d29 h LEU 199 Cb 0.10 0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.90 3d29 h LEU 199 CO -0.14 -0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.22 3d29 n ALA 201 N -2.31 1.16 0.93 1.53 0.00 -0.09 -1.83 120.51 119.90 3d29 n ALA 201 Ca -0.09 0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.48 3d29 n ALA 201 Cb 0.19 -1.11 0.53 0.00 0.00 0.00 0.00 19.45 19.06 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 -1.63 0.00 0.15 0.00 -0.00 -0.50 -3.26 115.22 109.99 3d29 n HIS 202 Ca 0.01 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.74 3d29 n HIS 202 Cb 0.05 -0.38 0.34 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 0.10 -0.83 1.57 3.07 -1.51 0.07 114.58 117.05 3d29 h GLU 203 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3d29 h GLU 203 Cb 0.29 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 3d29 h GLU 203 CO 0.00 0.42 0.00 -0.25 -1.40 0.00 0.00 179.01 177.78 3d29 n ASP 204 N -4.12 0.86 -0.28 1.42 9.92 -1.20 -2.16 116.55 120.99 3d29 n ASP 204 Ca -0.02 -1.63 0.00 0.00 -0.53 0.00 0.00 54.79 52.61 3d29 n ASP 204 Cb 0.39 -0.41 0.00 0.00 -0.64 0.00 0.00 41.12 40.46 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 0.11 0.00 0.00 -2.24 4.05 -0.87 -4.85 115.26 111.46 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 0.21 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.22 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 -0.04 -2.12 118.16 120.01 3d29 n LYS 206 Ca 0.00 0.13 -0.15 0.00 -1.05 0.00 0.00 58.31 57.24 3d29 n LYS 206 Cb 0.33 -1.62 -0.09 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 0.38 -5.89 -1.58 4.11 -1.86 -3.45 114.58 106.29 3d29 h GLU 20 Ca 0.00 -0.28 -0.63 0.00 0.07 0.00 0.00 59.36 58.52 3d29 h GLU 20 Cb 0.24 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 3d29 h GLU 20 CO 0.00 0.90 -0.51 0.15 0.07 0.00 0.00 179.01 179.63 3d29 s LYS 20 N -3.80 3.38 0.44 1.06 1.02 -0.90 -5.10 119.74 115.84 3d29 s LYS 20 Ca -0.14 -0.42 -0.18 0.00 0.02 0.00 0.00 55.97 55.26 3d29 s LYS 20 Cb 0.04 -3.03 -0.09 0.00 -0.52 0.00 0.00 37.83 34.23 3d29 s LYS 20 CO 0.78 0.63 0.91 0.34 -0.92 0.00 0.00 175.35 177.10 3d29 s ASP 207 N -2.25 6.78 0.35 2.83 3.68 -1.26 -4.87 116.67 121.93 3d29 s ASP 207 Ca 0.31 1.55 0.03 0.00 2.13 0.00 0.00 52.55 56.57 3d29 s ASP 207 Cb -0.13 -2.49 -0.05 0.00 -1.45 0.00 0.00 42.92 38.81 3d29 s ASP 207 CO 0.24 -0.41 0.09 0.72 0.13 0.00 0.00 175.17 175.94 3d29 s PHE 208 N -2.31 1.82 -0.05 -5.34 -0.12 -1.26 0.82 117.98 111.54 3d29 s PHE 208 Ca 0.59 -1.13 0.04 0.00 -0.05 0.00 0.00 56.93 56.38 3d29 s PHE 208 Cb -0.10 -1.17 0.00 0.00 -0.63 0.00 0.00 43.02 41.13 3d29 s PHE 208 CO 0.21 -0.17 -0.16 -2.00 -0.05 0.00 0.00 175.22 173.05 3d29 s GLU 209 N -3.84 1.84 0.22 1.99 2.12 0.68 -4.86 118.70 116.84 3d29 s GLU 209 Ca 0.31 -0.56 -0.11 0.00 0.36 0.00 0.00 54.97 54.98 3d29 s GLU 209 Cb 0.06 -1.54 -0.07 0.00 0.26 0.00 0.00 34.13 32.83 3d29 s GLU 209 CO 0.15 0.17 0.56 -1.17 -0.54 0.00 0.00 175.26 174.42 3d29 s LEU 210 N 0.26 4.19 -0.08 2.70 2.96 -1.26 -1.28 118.68 126.17 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 -3.62 0.04 0.00 0.50 0.00 0.00 46.19 42.98 3d29 s LEU 210 CO 0.03 -0.05 0.19 -0.70 -1.32 0.00 0.00 176.35 174.50 3d29 s GLU 211 N -2.67 0.13 0.02 1.98 2.12 -1.13 -4.99 118.70 114.16 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 -0.18 -0.07 0.42 -0.54 0.00 0.00 175.26 175.09 3d29 s ILE 212 N 1.35 0.52 0.09 -3.70 1.01 -1.26 -1.42 121.20 117.78 3d29 s ILE 212 Ca -0.08 -0.61 -0.01 0.00 0.00 0.00 0.00 60.65 59.95 3d29 s ILE 212 Cb -0.11 -0.50 -0.04 0.00 0.01 0.00 0.00 42.46 41.82 3d29 s ILE 212 CO -0.07 -0.08 0.01 -0.94 0.00 0.00 0.00 174.94 173.85 3d29 s SER 213 N -0.76 0.45 0.11 3.58 1.04 0.41 -0.58 113.70 117.95 3d29 s SER 213 Ca -0.03 -1.09 -0.20 0.00 0.48 0.00 0.00 55.95 55.11 3d29 s SER 213 Cb -0.06 0.23 0.05 0.00 0.10 0.00 0.00 66.02 66.35 3d29 s SER 213 CO 0.00 -0.65 0.49 -1.66 0.98 0.00 0.00 173.24 172.40 3d29 s TRP 214 N -3.96 -0.35 -0.20 5.02 1.48 0.65 -0.39 118.94 121.18 3d29 s TRP 214 Ca 0.15 0.18 -0.04 0.00 -1.06 0.00 0.00 56.10 55.33 3d29 s TRP 214 Cb 0.08 0.36 0.07 0.00 -1.16 0.00 0.00 33.47 32.81 3d29 s TRP 214 CO -0.05 -0.71 0.07 0.00 -4.06 0.00 0.00 176.95 172.20 3d29 s SER 216 N 2.00 0.91 0.23 0.00 0.15 -1.26 -0.07 113.70 115.65 3d29 s SER 216 Ca 0.02 -0.14 -0.07 0.00 0.70 0.00 0.00 55.95 56.46 3d29 s SER 216 Cb -0.16 -0.22 0.25 0.00 -1.71 0.00 0.00 66.02 64.17 3d29 s SER 216 CO -0.13 0.04 1.88 0.25 1.20 0.00 0.00 173.24 176.48 3d29 h LEU 217 N 6.37 0.92 0.00 3.45 5.85 -0.95 0.11 115.31 131.05 3d29 h LEU 217 Ca -0.33 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.25 3d29 h LEU 217 Cb 1.17 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 3d29 h LEU 217 CO 0.49 0.64 -1.36 -1.54 -0.34 0.00 0.00 178.44 176.33 3d29 n SER 218 N -4.54 0.84 -0.07 1.25 3.41 -1.26 -3.11 113.62 110.13 3d29 n SER 218 Ca 0.10 0.36 -0.09 0.00 -0.26 0.00 0.00 58.87 58.98 3d29 n SER 218 Cb 0.08 0.24 -0.15 0.00 -0.26 0.00 0.00 64.21 64.12 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 -2.84 0.67 0.00 4.33 -0.58 -1.15 -4.62 120.64 116.44 3d29 n GLU 21 Ca -0.08 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 3d29 n GLU 21 Cb 0.79 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 30.04 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 -2.85 0.18 -2.57 2.62 -2.24 0.28 -4.95 114.28 104.75 3d29 n THR 21 Ca -0.27 -0.40 -0.12 0.00 -2.27 0.00 0.00 64.05 60.99 3d29 n THR 21 Cb 1.12 1.18 0.01 0.00 -2.10 0.00 0.00 70.33 70.54 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 -0.09 -3.91 0.00 3.42 5.15 -0.60 -2.55 115.26 116.69 3d29 n ASN 21 Ca 0.00 -0.13 0.00 0.00 -0.60 0.00 0.00 54.58 53.85 3d29 n ASN 21 Cb 0.17 -2.86 0.00 0.00 -0.53 0.00 0.00 39.78 36.56 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 1.22 3.89 8.20 0.00 -0.77 -4.92 105.19 111.67 3d29 n GLY 219 Ca -0.07 0.00 -0.33 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 4.29 0.05 0.99 1.43 -1.06 -4.53 118.68 119.85 3d29 s LEU 220 Ca 0.00 0.68 -0.30 0.00 -1.03 0.00 0.00 54.13 53.48 3d29 s LEU 220 Cb 0.00 -3.22 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 3d29 s LEU 220 CO 0.00 0.09 0.98 -2.28 0.23 0.00 0.00 176.35 175.36 3d29 s HIS 221 N -1.58 3.72 -0.01 0.29 5.65 -0.11 -4.36 115.29 118.91 3d29 s HIS 221 Ca 0.39 1.74 -0.15 0.00 0.25 0.00 0.00 55.06 57.29 3d29 s HIS 221 Cb -0.13 -3.10 0.02 0.00 -1.18 0.00 0.00 32.58 28.20 3d29 s HIS 221 CO 0.22 0.06 0.31 0.15 -0.65 0.00 0.00 174.74 174.83 3d29 s LYS 222 N 0.54 0.68 0.22 2.88 1.02 -0.43 -4.95 119.74 119.70 3d29 s LYS 222 Ca 0.50 -0.22 -0.26 0.00 0.02 0.00 0.00 55.97 56.01 3d29 s LYS 222 Cb -0.22 0.30 -0.09 0.00 -0.52 0.00 0.00 37.83 37.30 3d29 s LYS 222 CO 0.29 -0.19 0.85 -0.06 -0.92 0.00 0.00 175.35 175.32 3d29 s PHE 223 N -1.41 3.88 -0.48 3.18 0.40 -1.26 -0.25 117.98 122.03 3d29 s PHE 223 Ca -0.13 1.72 -0.26 0.00 -0.60 0.00 0.00 56.93 57.67 3d29 s PHE 223 Cb -0.05 -2.84 0.03 0.00 0.51 0.00 0.00 43.02 40.67 3d29 s PHE 223 CO 0.04 0.44 0.95 0.08 0.70 0.00 0.00 175.22 177.43 3d29 s VAL 224 N -1.26 4.43 0.37 -0.44 1.01 0.25 -4.90 120.40 119.86 3d29 s VAL 224 Ca 0.40 0.72 0.01 0.00 0.00 0.00 0.00 61.98 63.11 3d29 s VAL 224 Cb -0.23 -4.47 -0.00 0.00 0.00 0.00 0.00 36.38 31.68 3d29 s VAL 224 CO 0.27 -0.90 0.02 0.29 0.00 0.00 0.00 175.10 174.78 3d29 n LYS 225 N 7.29 1.01 0.00 2.72 5.02 -1.26 -4.59 118.16 128.35 3d29 n LYS 225 Ca 0.06 -2.73 0.00 0.00 -2.02 0.00 0.00 58.31 53.62 3d29 n LYS 225 Cb 0.48 0.85 0.00 0.00 -0.02 0.00 0.00 35.03 36.35 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 0.40 3.23 0.22 0.72 0.00 -1.26 -3.12 105.19 105.37 3d29 n GLY 226 Ca -0.14 -0.01 -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 0.68 0.12 1.61 3.45 -1.98 -1.62 116.42 118.68 3d29 h ASP 227 Ca 0.00 -0.23 -0.03 0.00 0.43 0.00 0.00 57.03 57.20 3d29 h ASP 227 Cb 0.00 -0.18 -0.00 0.00 -0.56 0.00 0.00 39.33 38.59 3d29 h ASP 227 CO 0.00 0.73 -0.13 0.25 -1.57 0.00 0.00 179.24 178.51 3d29 h LEU 228 N 0.60 0.02 0.21 1.55 5.85 -1.95 0.11 115.31 121.69 3d29 h LEU 228 Ca 0.14 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3d29 h LEU 228 Cb 0.31 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.34 3d29 h LEU 228 CO 0.00 0.16 -0.10 0.25 -0.34 0.00 0.00 178.44 178.41 3d29 h LEU 229 N 0.02 -0.24 -1.23 2.25 5.85 -1.45 -2.68 115.31 117.83 3d29 h LEU 229 Ca 0.00 -0.26 0.08 0.00 0.84 0.00 0.00 57.88 58.54 3d29 h LEU 229 Cb 0.25 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.29 3d29 h LEU 229 CO 0.02 0.29 0.55 -0.61 -0.34 0.00 0.00 178.44 178.35 3d29 h GLN 230 N -0.93 0.88 -0.75 1.25 5.75 -1.12 0.14 115.11 120.33 3d29 h GLN 230 Ca -0.03 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.43 3d29 h GLN 230 Cb 0.49 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 28.80 3d29 h GLN 230 CO 0.05 0.58 0.50 1.49 -2.65 0.00 0.00 178.83 178.79 3d29 h GLU 231 N 0.90 0.99 -0.28 1.69 4.81 -0.85 0.27 114.58 122.12 3d29 h GLU 231 Ca 0.38 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.42 3d29 h GLU 231 Cb 0.29 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3d29 h GLU 231 CO -0.14 0.66 -0.34 0.00 -0.73 0.00 0.00 179.01 178.46 3d29 h ALA 232 N 1.27 0.89 -0.52 2.92 0.00 -0.72 -1.57 119.26 121.53 3d29 h ALA 232 Ca 0.28 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3d29 h ALA 232 Cb -0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3d29 h ALA 232 CO -0.06 0.63 0.11 0.82 0.00 0.00 0.00 179.25 180.75 3d29 h ILE 233 N 0.51 1.24 -0.55 0.00 2.04 -0.43 -2.04 117.51 118.28 3d29 h ILE 233 Ca 0.06 -0.88 -0.04 0.00 1.00 0.00 0.00 64.86 65.00 3d29 h ILE 233 Cb 0.83 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 3d29 h ILE 233 CO 0.07 0.32 0.19 0.44 0.00 0.00 0.00 178.15 179.17 3d29 h ASP 234 N 0.73 0.79 -0.15 1.72 3.32 -0.72 0.14 116.42 122.25 3d29 h ASP 234 Ca 0.16 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 57.03 3d29 h ASP 234 Cb 0.35 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3d29 h ASP 234 CO 0.00 0.77 0.10 0.15 -1.72 0.00 0.00 179.24 178.54 3d29 h PHE 235 N 0.76 0.16 0.00 4.55 3.57 -1.05 -1.26 116.94 123.67 3d29 h PHE 235 Ca 0.18 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 3d29 h PHE 235 Cb 0.25 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 3d29 h PHE 235 CO 0.01 0.10 -0.08 0.00 -2.23 0.00 0.00 178.31 176.12 3d29 h ALA 236 N 1.91 0.01 -0.42 2.41 0.00 -0.86 -3.08 119.26 119.24 3d29 h ALA 236 Ca 0.06 -0.46 0.12 0.00 0.00 0.00 0.00 54.91 54.63 3d29 h ALA 236 Cb 0.02 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3d29 h ALA 236 CO -0.01 0.04 0.39 1.96 0.00 0.00 0.00 179.25 181.64 3d29 h GLN 237 N -1.00 0.00 0.02 0.00 1.08 -0.55 -0.44 115.11 114.22 3d29 h GLN 237 Ca -0.02 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.14 3d29 h GLN 237 Cb 0.84 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.28 3d29 h GLN 237 CO -0.01 0.00 -0.18 -0.22 -0.95 0.00 0.00 178.83 177.47 3d29 h LYS 238 N 0.00 0.09 0.00 1.46 3.64 -1.33 -3.30 116.57 117.13 3d29 h LYS 238 Ca 0.20 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3d29 h LYS 238 Cb 0.99 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 3d29 h LYS 238 CO -0.00 0.98 0.00 0.39 -2.27 0.00 0.00 179.45 178.54 3d29 n GLU 239 N -4.53 0.67 0.01 1.90 1.02 -0.64 -2.19 120.64 116.88 3d29 n GLU 239 Ca -0.10 0.01 0.13 0.00 -0.02 0.00 0.00 57.16 57.18 3d29 n GLU 239 Cb 0.52 -1.50 0.38 0.00 -0.02 0.00 0.00 31.44 30.82 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 0.08 -0.31 -3.67 0.13 -0.27 -5.08 119.36 109.13 3d29 n ILE 240 Ca 0.18 -0.05 0.00 0.00 -1.10 0.00 0.00 62.75 61.78 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