#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d29 n ARG 5 N 0.00 -0.06 0.31 -4.13 0.63 -1.26 0.53 116.66 112.68 3d29 n ARG 5 Ca 0.00 1.28 0.19 0.00 -0.92 0.00 0.00 57.85 58.40 3d29 n ARG 5 Cb 0.00 -2.23 1.02 0.00 0.45 0.00 0.00 32.46 31.70 3d29 n ARG 5 CO 0.00 0.00 0.00 -0.97 -2.51 0.00 0.00 177.63 174.15 3d29 h ASN 6 N 0.00 0.00 0.38 6.15 -1.24 -2.07 -0.68 115.58 118.12 3d29 h ASN 6 Ca 0.72 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.73 3d29 h ASN 6 Cb 1.82 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.87 3d29 h ASN 6 CO -0.73 0.00 -0.55 0.59 -1.29 0.00 0.00 177.43 175.44 3d29 n ASN 7 N -3.23 0.67 0.00 1.15 5.03 0.19 -4.30 115.26 114.76 3d29 n ASN 7 Ca -0.02 -0.47 0.00 0.00 0.87 0.00 0.00 54.58 54.96 3d29 n ASN 7 Cb 0.20 0.36 0.00 0.00 -1.02 0.00 0.00 39.78 39.32 3d29 n ASN 7 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3d29 n TYR 8 N -1.37 0.00 -0.83 3.10 4.01 -0.32 -4.76 117.16 116.99 3d29 n TYR 8 Ca 0.06 -0.25 0.08 0.00 -0.16 0.00 0.00 57.90 57.64 3d29 n TYR 8 Cb 0.34 -0.02 0.24 0.00 -0.31 0.00 0.00 39.34 39.58 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 -0.25 3.68 0.00 7.72 3.85 -0.85 -4.60 116.55 126.11 3d29 n ASP 9 Ca 0.00 -2.81 0.12 0.00 -0.71 0.00 0.00 54.79 51.38 3d29 n ASP 9 Cb 0.23 -0.48 0.52 0.00 -1.35 0.00 0.00 41.12 40.04 3d29 n ASP 9 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3d29 n GLY 10 N -0.31 -1.34 3.75 6.12 0.00 -1.26 -4.58 105.19 107.56 3d29 n GLY 10 Ca 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3d29 n GLY 10 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3d29 s ASP 11 N -3.04 -0.06 0.00 1.61 1.47 -1.26 -5.04 116.67 110.35 3d29 s ASP 11 Ca 0.12 -0.27 0.29 0.00 1.18 0.00 0.00 52.55 53.86 3d29 s ASP 11 Cb 0.16 0.27 1.26 0.00 -0.34 0.00 0.00 42.92 44.26 3d29 s ASP 11 CO 0.44 -0.50 1.86 0.41 0.68 0.00 0.00 175.17 178.06 3d29 n THR 12 N -0.59 0.00 -0.54 2.11 -1.04 -1.26 -3.74 114.28 109.22 3d29 n THR 12 Ca -0.05 -0.19 0.09 0.00 -2.04 0.00 0.00 64.05 61.86 3d29 n THR 12 Cb 0.61 0.25 0.35 0.00 -1.82 0.00 0.00 70.33 69.73 3d29 n THR 12 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 3d29 n VAL 13 N -0.11 1.87 -4.92 12.58 3.14 -1.26 -4.45 118.33 125.17 3d29 n VAL 13 Ca 0.20 -1.15 -0.29 0.00 -2.96 0.00 0.00 64.34 60.15 3d29 n VAL 13 Cb 0.29 0.04 -0.17 0.00 -1.06 0.00 0.00 33.84 32.95 3d29 n VAL 13 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 3d29 s THR 14 N -1.96 1.65 0.07 1.55 2.01 -1.25 -5.09 115.64 112.63 3d29 s THR 14 Ca 0.49 -0.78 -0.14 0.00 0.31 0.00 0.00 61.69 61.57 3d29 s THR 14 Cb 0.33 -1.45 -0.06 0.00 0.01 0.00 0.00 72.50 71.32 3d29 s THR 14 CO 0.22 0.47 0.47 -0.36 -0.69 0.00 0.00 174.62 174.73 3d29 s PHE 15 N 0.50 3.67 0.58 4.92 0.08 -1.26 -4.67 117.98 121.79 3d29 s PHE 15 Ca -0.17 1.00 -0.09 0.00 0.12 0.00 0.00 56.93 57.79 3d29 s PHE 15 Cb -0.17 -2.30 -0.03 0.00 -0.57 0.00 0.00 43.02 39.94 3d29 s PHE 15 CO 0.06 0.54 0.94 -1.54 -0.10 0.00 0.00 175.22 175.13 3d29 s SER 16 N -1.44 6.18 0.25 1.36 1.04 -0.00 -4.90 113.70 116.18 3d29 s SER 16 Ca 0.31 1.21 0.12 0.00 0.48 0.00 0.00 55.95 58.07 3d29 s SER 16 Cb -0.16 -2.34 0.65 0.00 0.10 0.00 0.00 66.02 64.27 3d29 s SER 16 CO 0.17 -0.80 1.27 -2.65 0.98 0.00 0.00 173.24 172.21 3d29 n PRO 17 N -2.59 0.08 -0.14 4.02 -0.02 -1.26 -0.34 135.00 134.75 3d29 n PRO 17 Ca 0.04 0.53 0.08 0.00 -2.02 0.00 0.00 63.50 62.14 3d29 n PRO 17 Cb 0.55 -1.97 0.15 0.00 -0.02 0.00 0.00 33.50 32.21 3d29 n PRO 17 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3d29 n THR 18 N -1.94 0.53 -0.39 3.45 -2.24 -1.26 -4.96 114.28 107.47 3d29 n THR 18 Ca -0.01 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 3d29 n THR 18 Cb 0.23 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 3d29 n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d29 n GLY 19 N 0.99 0.77 3.95 3.38 0.00 0.54 -5.08 105.19 109.74 3d29 n GLY 19 Ca 0.14 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.73 3.48 -0.44 1.61 0.52 -1.25 -4.79 118.95 117.35 3d29 s ARG 20 Ca 0.00 -0.47 0.03 0.00 -0.52 0.00 0.00 55.73 54.77 3d29 s ARG 20 Cb 0.00 -2.77 0.12 0.00 0.52 0.00 0.00 34.95 32.82 3d29 s ARG 20 CO 0.00 0.29 0.19 -0.51 0.02 0.00 0.00 175.30 175.29 3d29 s LEU 21 N -3.99 3.92 0.20 2.53 1.43 -1.26 -0.82 118.68 120.67 3d29 s LEU 21 Ca 0.38 -2.61 -0.11 0.00 -1.03 0.00 0.00 54.13 50.76 3d29 s LEU 21 Cb -0.10 -1.45 0.13 0.00 0.03 0.00 0.00 46.19 44.80 3d29 s LEU 21 CO 0.32 -0.29 1.81 -0.26 0.23 0.00 0.00 176.35 178.17 3d29 h PHE 22 N 6.95 0.95 -0.75 0.29 0.04 -1.83 -1.39 116.94 121.21 3d29 h PHE 22 Ca -0.06 -0.02 0.09 0.00 2.80 0.00 0.00 57.97 60.78 3d29 h PHE 22 Cb 0.94 -0.31 -0.05 0.00 2.20 0.00 0.00 35.95 38.74 3d29 h PHE 22 CO 0.48 0.67 0.49 1.96 -0.60 0.00 0.00 178.31 181.32 3d29 h GLN 23 N 0.96 0.67 -0.35 1.51 1.08 -1.81 0.94 115.11 118.11 3d29 h GLN 23 Ca 0.25 -0.04 -0.16 0.00 -1.45 0.00 0.00 58.65 57.24 3d29 h GLN 23 Cb 0.03 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.30 3d29 h GLN 23 CO -0.04 0.44 -0.42 0.28 -0.95 0.00 0.00 178.83 178.14 3d29 h VAL 24 N 0.69 1.28 -0.59 -0.54 2.07 -1.79 -1.77 116.25 115.60 3d29 h VAL 24 Ca 0.34 -1.60 -0.08 0.00 0.82 0.00 0.00 66.70 66.18 3d29 h VAL 24 Cb 0.42 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 3d29 h VAL 24 CO -0.12 0.53 0.06 -0.33 0.02 0.00 0.00 177.57 177.73 3d29 h GLU 25 N 0.70 1.01 -0.52 1.57 5.08 0.26 0.72 114.58 123.39 3d29 h GLU 25 Ca 0.04 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.05 3d29 h GLU 25 Cb 1.02 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 3d29 h GLU 25 CO 0.10 0.97 0.08 1.88 -1.00 0.00 0.00 179.01 181.04 3d29 h TYR 26 N 0.91 0.87 -0.16 4.33 0.05 0.85 -1.56 116.97 122.25 3d29 h TYR 26 Ca 0.18 -0.10 -0.00 0.00 0.05 0.00 0.00 58.73 58.85 3d29 h TYR 26 Cb 0.47 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.96 3d29 h TYR 26 CO 0.03 0.76 0.09 0.00 -1.05 0.00 0.00 178.16 177.99 3d29 h ALA 27 N 1.29 0.21 -0.35 3.88 0.00 -0.80 -1.46 119.26 122.03 3d29 h ALA 27 Ca 0.17 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.12 3d29 h ALA 27 Cb 0.37 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3d29 h ALA 27 CO 0.01 -0.26 0.33 -0.07 0.00 0.00 0.00 179.25 179.26 3d29 h LEU 28 N 0.16 0.00 -0.46 0.00 4.07 -0.05 -0.42 115.31 118.61 3d29 h LEU 28 Ca 0.06 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.89 3d29 h LEU 28 Cb 0.07 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 3d29 h LEU 28 CO -0.01 0.00 -0.19 -0.08 -1.08 0.00 0.00 178.44 177.08 3d29 h GLU 29 N 0.00 0.94 -0.94 1.13 4.57 -0.33 -2.85 114.58 117.10 3d29 h GLU 29 Ca 0.17 -0.40 0.24 0.00 -1.18 0.00 0.00 59.36 58.18 3d29 h GLU 29 Cb 0.83 -0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 29.32 3d29 h GLU 29 CO -0.00 1.06 0.63 0.00 -1.18 0.00 0.00 179.01 179.52 3d29 h ALA 30 N 0.85 2.39 -0.26 2.92 0.00 -0.94 0.67 119.26 124.88 3d29 h ALA 30 Ca 0.10 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3d29 h ALA 30 Cb 0.76 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3d29 h ALA 30 CO 0.06 -0.70 -0.12 0.82 0.00 0.00 0.00 179.25 179.31 3d29 h ILE 31 N 0.30 1.30 0.00 0.00 5.03 -1.58 -2.85 117.51 119.71 3d29 h ILE 31 Ca 0.49 -1.21 -0.00 0.00 -0.12 0.00 0.00 64.86 64.02 3d29 h ILE 31 Cb 1.41 1.52 -0.00 0.00 -3.03 0.00 0.00 36.82 36.72 3d29 h ILE 31 CO -0.16 0.38 -0.02 0.11 -0.68 0.00 0.00 178.15 177.78 3d29 h LYS 32 N 0.28 0.00 -0.00 2.37 6.56 -0.88 0.51 116.57 125.41 3d29 h LYS 32 Ca 0.06 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.65 3d29 h LYS 32 Cb 0.63 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.29 3d29 h LYS 32 CO 0.04 0.02 -0.22 0.94 -2.06 0.00 0.00 179.45 178.17 3d29 n GLN 33 N -3.98 0.31 -2.30 3.15 7.27 -0.89 -2.45 117.38 118.49 3d29 n GLN 33 Ca -0.03 -0.12 -0.28 0.00 0.07 0.00 0.00 57.00 56.63 3d29 n GLN 33 Cb 0.10 -1.50 0.02 0.00 2.41 0.00 0.00 30.24 31.27 3d29 n GLN 33 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 3d29 s GLY 34 N -2.77 1.58 0.49 1.69 0.00 0.17 -4.77 107.32 103.71 3d29 s GLY 34 Ca 0.19 -0.45 -0.23 0.00 0.00 0.00 0.00 44.72 44.23 3d29 s GLY 34 CO 0.56 -0.20 1.30 -0.45 0.00 0.00 0.00 173.10 174.31 3d29 s SER 35 N -4.22 5.76 0.46 1.64 0.15 -1.26 0.34 113.70 116.57 3d29 s SER 35 Ca 0.52 2.64 -0.23 0.00 0.70 0.00 0.00 55.95 59.58 3d29 s SER 35 Cb -0.11 -2.63 -0.07 0.00 -1.71 0.00 0.00 66.02 61.50 3d29 s SER 35 CO 0.48 -1.23 1.21 0.54 1.20 0.00 0.00 173.24 175.44 3d29 s VAL 36 N -1.35 2.90 -0.08 4.45 0.11 -1.26 -4.54 120.40 120.63 3d29 s VAL 36 Ca 0.66 0.70 -0.08 0.00 -2.93 0.00 0.00 61.98 60.33 3d29 s VAL 36 Cb -0.37 -3.36 0.02 0.00 -1.53 0.00 0.00 36.38 31.14 3d29 s VAL 36 CO 0.45 0.01 0.22 0.28 -3.33 0.00 0.00 175.10 172.74 3d29 s THR 37 N -1.47 0.00 0.16 5.04 -1.32 -0.70 -1.43 115.64 115.92 3d29 s THR 37 Ca 0.64 -0.01 0.10 0.00 -1.21 0.00 0.00 61.69 61.21 3d29 s THR 37 Cb -0.31 -0.32 -0.04 0.00 -1.51 0.00 0.00 72.50 70.31 3d29 s THR 37 CO 0.38 -0.00 -0.19 -0.69 -2.21 0.00 0.00 174.62 171.91 3d29 s VAL 38 N 0.10 2.71 -0.05 5.08 1.01 0.30 -2.11 120.40 127.44 3d29 s VAL 38 Ca -0.00 -1.75 -0.04 0.00 0.00 0.00 0.00 61.98 60.19 3d29 s VAL 38 Cb -0.02 -2.29 0.02 0.00 0.00 0.00 0.00 36.38 34.10 3d29 s VAL 38 CO 0.00 -0.03 0.12 -0.83 0.00 0.00 0.00 175.10 174.37 3d29 s GLY 39 N -2.50 -0.07 0.18 4.51 0.00 -0.13 -0.68 107.32 108.64 3d29 s GLY 39 Ca 0.20 0.44 -0.18 0.00 0.00 0.00 0.00 44.72 45.18 3d29 s GLY 39 CO 0.11 0.52 0.53 0.48 0.00 0.00 0.00 173.10 174.73 3d29 s LEU 40 N 0.43 -0.00 0.12 0.66 2.34 -0.59 -0.26 118.68 121.37 3d29 s LEU 40 Ca -0.03 -0.38 -0.18 0.00 0.06 0.00 0.00 54.13 53.60 3d29 s LEU 40 Cb -0.04 2.21 0.04 0.00 -0.56 0.00 0.00 46.19 47.83 3d29 s LEU 40 CO -0.02 -1.03 0.44 0.00 -1.06 0.00 0.00 176.35 174.69 3d29 s ARG 41 N -3.85 1.09 0.00 1.48 1.70 -0.39 -0.05 118.95 118.94 3d29 s ARG 41 Ca 0.07 -0.62 0.00 0.00 -0.47 0.00 0.00 55.73 54.71 3d29 s ARG 41 Cb -0.01 0.49 0.00 0.00 -0.57 0.00 0.00 34.95 34.86 3d29 s ARG 41 CO -0.05 -0.43 0.00 -1.13 -1.08 0.00 0.00 175.30 172.60 3d29 n SER 42 N -0.17 0.24 -0.09 -2.89 3.41 0.45 -4.21 113.62 110.36 3d29 n SER 42 Ca -0.16 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.55 3d29 n SER 42 Cb 0.64 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.56 3d29 n SER 42 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3d29 n ASN 43 N 0.00 1.08 -0.00 4.04 3.02 -1.23 -4.39 115.26 117.78 3d29 n ASN 43 Ca 0.00 -0.96 0.02 0.00 -0.03 0.00 0.00 54.58 53.61 3d29 n ASN 43 Cb 0.00 0.77 -0.04 0.00 -0.61 0.00 0.00 39.78 39.90 3d29 n ASN 43 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3d29 n THR 44 N -1.24 0.04 -3.99 3.41 -2.24 -1.26 -4.20 114.28 104.79 3d29 n THR 44 Ca 0.05 -0.12 -0.09 0.00 -2.27 0.00 0.00 64.05 61.62 3d29 n THR 44 Cb 0.35 0.24 -0.08 0.00 -2.10 0.00 0.00 70.33 68.74 3d29 n THR 44 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3d29 s HIS 45 N -2.32 0.43 -0.02 4.78 3.76 -1.26 -1.96 115.29 118.69 3d29 s HIS 45 Ca -0.02 -0.87 0.02 0.00 -0.15 0.00 0.00 55.06 54.04 3d29 s HIS 45 Cb 0.03 -0.23 0.00 0.00 1.11 0.00 0.00 32.58 33.50 3d29 s HIS 45 CO 0.21 -0.53 -0.07 0.00 -0.85 0.00 0.00 174.74 173.50 3d29 s ALA 46 N -3.93 0.73 0.07 -1.40 0.00 -0.24 -0.41 121.76 116.58 3d29 s ALA 46 Ca 0.11 -0.26 0.05 0.00 0.00 0.00 0.00 51.96 51.86 3d29 s ALA 46 Cb 0.06 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 3d29 s ALA 46 CO -0.06 0.11 -0.15 0.08 0.00 0.00 0.00 175.76 175.74 3d29 s VAL 47 N 0.22 1.15 -0.02 0.00 1.01 0.93 -1.84 120.40 121.85 3d29 s VAL 47 Ca -0.03 -1.31 0.05 0.00 0.00 0.00 0.00 61.98 60.69 3d29 s VAL 47 Cb -0.08 -1.10 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 3d29 s VAL 47 CO 0.00 -0.21 -0.18 -0.76 0.00 0.00 0.00 175.10 173.96 3d29 s LEU 48 N -1.73 2.00 -0.04 3.92 1.43 -0.19 -1.54 118.68 122.52 3d29 s LEU 48 Ca -0.01 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 3d29 s LEU 48 Cb -0.10 -0.95 0.02 0.00 0.03 0.00 0.00 46.19 45.19 3d29 s LEU 48 CO 0.02 0.20 -0.06 -0.69 0.23 0.00 0.00 176.35 176.05 3d29 s VAL 49 N -0.27 0.62 0.03 -1.59 1.01 0.14 -0.89 120.40 119.45 3d29 s VAL 49 Ca 0.03 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.83 3d29 s VAL 49 Cb -0.08 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 3d29 s VAL 49 CO 0.00 0.23 -0.08 0.00 0.00 0.00 0.00 175.10 175.26 3d29 s ALA 50 N 0.69 0.59 -0.35 5.51 0.00 0.11 0.11 121.76 128.42 3d29 s ALA 50 Ca -0.10 -0.62 -0.16 0.00 0.00 0.00 0.00 51.96 51.09 3d29 s ALA 50 Cb -0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 3d29 s ALA 50 CO 0.01 0.04 0.39 -1.17 0.00 0.00 0.00 175.76 175.03 3d29 s LEU 51 N -1.13 4.45 -0.04 0.00 2.96 -0.51 -1.67 118.68 122.75 3d29 s LEU 51 Ca -0.05 -0.23 -0.24 0.00 -0.22 0.00 0.00 54.13 53.39 3d29 s LEU 51 Cb -0.08 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 3d29 s LEU 51 CO 0.00 -0.38 0.73 -0.54 -1.32 0.00 0.00 176.35 174.85 3d29 s LYS 52 N 2.08 4.45 0.06 1.98 1.02 -0.28 -4.56 119.74 124.51 3d29 s LYS 52 Ca 0.13 0.96 -0.01 0.00 0.02 0.00 0.00 55.97 57.06 3d29 s LYS 52 Cb -0.16 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 33.67 3d29 s LYS 52 CO 0.12 0.10 0.24 0.50 -0.92 0.00 0.00 175.35 175.39 3d29 s ARG 53 N 0.65 3.48 0.23 1.68 3.52 -1.26 -4.83 118.95 122.42 3d29 s ARG 53 Ca 0.39 -0.35 0.09 0.00 -0.13 0.00 0.00 55.73 55.73 3d29 s ARG 53 Cb -0.18 -3.02 -0.05 0.00 -1.56 0.00 0.00 34.95 30.14 3d29 s ARG 53 CO 0.20 0.60 -0.14 0.54 -0.81 0.00 0.00 175.30 175.68 3d29 s ASN 54 N -2.39 2.84 -0.04 -2.12 4.22 -1.26 -2.29 114.94 113.90 3d29 s ASN 54 Ca 0.35 -1.05 -0.01 0.00 -2.14 0.00 0.00 52.86 50.01 3d29 s ASN 54 Cb -0.13 -0.18 -0.00 0.00 1.28 0.00 0.00 41.25 42.22 3d29 s ASN 54 CO 0.26 -0.15 -0.02 0.00 -2.04 0.00 0.00 177.10 175.15 3d29 h ALA 55 N 2.44 0.00 -4.43 3.54 0.00 -1.89 -3.49 119.26 115.44 3d29 h ALA 55 Ca -0.39 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.26 3d29 h ALA 55 Cb 1.23 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3d29 h ALA 55 CO 0.62 0.06 -0.07 -0.25 0.00 0.00 0.00 179.25 179.61 3d29 n ASP 56 N -2.97 1.53 -1.24 0.00 9.92 -1.26 -4.99 116.55 117.55 3d29 n ASP 56 Ca -0.01 -1.48 0.11 0.00 -0.53 0.00 0.00 54.79 52.89 3d29 n ASP 56 Cb 0.03 0.00 0.28 0.00 -0.64 0.00 0.00 41.12 40.80 3d29 n ASP 56 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3d29 n GLU 57 N -0.76 2.57 -0.00 -1.24 4.71 -1.26 -3.46 120.64 121.20 3d29 n GLU 57 Ca -0.01 -2.42 0.06 0.00 -0.01 0.00 0.00 57.16 54.78 3d29 n GLU 57 Cb 0.15 -1.53 -0.08 0.00 -1.01 0.00 0.00 31.44 28.97 3d29 n GLU 57 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3d29 n LEU 58 N 1.51 0.46 -5.00 -4.62 4.32 -1.26 -5.01 117.00 107.40 3d29 n LEU 58 Ca 0.22 -0.38 -0.21 0.00 -0.02 0.00 0.00 56.01 55.62 3d29 n LEU 58 Cb 0.59 0.00 0.07 0.00 -1.62 0.00 0.00 43.42 42.46 3d29 n LEU 58 CO 0.16 0.11 0.40 -0.94 -1.22 0.00 0.00 177.39 175.90 3d29 s SER 59 N -2.53 4.94 0.54 -1.43 1.04 -1.22 -5.12 113.70 109.92 3d29 s SER 59 Ca 0.03 -0.44 0.03 0.00 0.48 0.00 0.00 55.95 56.04 3d29 s SER 59 Cb 0.09 -0.19 0.04 0.00 0.10 0.00 0.00 66.02 66.07 3d29 s SER 59 CO 0.53 -1.41 0.76 -0.94 0.98 0.00 0.00 173.24 173.16 3d29 s SER 60 N -4.60 5.24 -0.29 7.02 1.04 -1.26 -4.82 113.70 116.03 3d29 s SER 60 Ca 0.62 -0.17 -0.13 0.00 0.48 0.00 0.00 55.95 56.74 3d29 s SER 60 Cb -0.07 -0.69 -0.04 0.00 0.10 0.00 0.00 66.02 65.33 3d29 s SER 60 CO 0.40 -1.15 0.30 -0.31 0.98 0.00 0.00 173.24 173.45 3d29 s TYR 63 N -2.72 3.23 0.20 5.02 1.51 -1.26 -4.16 117.35 119.17 3d29 s TYR 63 Ca 0.58 0.19 -0.31 0.00 -1.01 0.00 0.00 57.07 56.52 3d29 s TYR 63 Cb -0.10 -2.52 -0.10 0.00 -0.11 0.00 0.00 41.96 39.14 3d29 s TYR 63 CO 0.38 -0.25 1.57 -1.14 -1.11 0.00 0.00 175.55 175.00 3d29 s GLN 64 N 1.93 4.20 0.37 -0.62 0.74 -0.97 -4.93 119.66 120.38 3d29 s GLN 64 Ca 0.11 2.41 -0.28 0.00 0.05 0.00 0.00 55.36 57.64 3d29 s GLN 64 Cb -0.16 -3.12 -0.11 0.00 1.10 0.00 0.00 33.01 30.72 3d29 s GLN 64 CO 0.11 -0.59 1.50 -1.59 -0.55 0.00 0.00 175.29 174.17 3d29 s LYS 65 N 0.68 4.11 -0.00 1.67 -2.85 -1.26 -4.46 119.74 117.62 3d29 s LYS 65 Ca 0.68 2.58 0.06 0.00 -1.00 0.00 0.00 55.97 58.29 3d29 s LYS 65 Cb -0.45 -2.97 -0.07 0.00 -2.06 0.00 0.00 37.83 32.28 3d29 s LYS 65 CO 0.35 -0.55 0.22 1.63 0.10 0.00 0.00 175.35 177.10 3d29 n LYS 66 N 0.67 3.59 -4.98 1.78 4.76 -1.26 -4.99 118.16 117.73 3d29 n LYS 66 Ca 0.02 -0.02 -0.32 0.00 -2.87 0.00 0.00 58.31 55.12 3d29 n LYS 66 Cb 0.39 -0.89 -0.14 0.00 -1.84 0.00 0.00 35.03 32.55 3d29 n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3d29 s ILE 67 N -1.82 2.79 -0.05 -0.18 1.01 -1.26 -1.01 121.20 120.67 3d29 s ILE 67 Ca 0.01 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.87 3d29 s ILE 67 Cb 0.04 -2.08 0.01 0.00 0.01 0.00 0.00 42.46 40.44 3d29 s ILE 67 CO 0.25 0.57 -0.09 -0.63 0.00 0.00 0.00 174.94 175.05 3d29 s ILE 68 N -0.44 0.85 0.01 2.92 1.01 -0.10 -5.01 121.20 120.45 3d29 s ILE 68 Ca 0.05 -0.33 -0.24 0.00 0.00 0.00 0.00 60.65 60.12 3d29 s ILE 68 Cb -0.12 -0.80 -0.05 0.00 0.01 0.00 0.00 42.46 41.50 3d29 s ILE 68 CO 0.02 0.29 0.74 -0.75 0.00 0.00 0.00 174.94 175.23 3d29 s LYS 69 N 0.62 4.46 -0.09 2.79 2.20 -1.26 -0.97 119.74 127.50 3d29 s LYS 69 Ca -0.11 0.99 0.12 0.00 -0.36 0.00 0.00 55.97 56.61 3d29 s LYS 69 Cb -0.14 -3.38 -0.18 0.00 -1.51 0.00 0.00 37.83 32.62 3d29 s LYS 69 CO 0.02 0.23 0.14 0.00 -0.36 0.00 0.00 175.35 175.38 3d29 s ASP 71 N -4.22 -0.09 0.59 0.00 3.68 -0.57 -4.43 116.67 111.63 3d29 s ASP 71 Ca -0.06 -0.37 0.29 0.00 2.13 0.00 0.00 52.55 54.54 3d29 s ASP 71 Cb 0.06 0.37 1.75 0.00 -1.45 0.00 0.00 42.92 43.64 3d29 s ASP 71 CO 0.54 -0.70 2.21 -0.33 0.13 0.00 0.00 175.17 177.02 3d29 h GLU 72 N 2.00 0.00 -0.16 4.34 4.39 -1.97 -2.37 114.58 120.80 3d29 h GLU 72 Ca -0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.43 3d29 h GLU 72 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 3d29 h GLU 72 CO 0.29 0.00 0.00 -2.39 -1.16 0.00 0.00 179.01 175.75 3d29 n HIS 73 N -3.87 0.21 -3.82 4.33 1.44 -1.26 -0.48 115.22 111.77 3d29 n HIS 73 Ca -0.02 -0.31 -0.12 0.00 -2.01 0.00 0.00 57.72 55.27 3d29 n HIS 73 Cb 0.16 -0.02 -0.09 0.00 0.12 0.00 0.00 29.99 30.15 3d29 n HIS 73 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 3d29 s MET 74 N -0.88 0.60 0.10 -1.40 -2.45 -0.89 -1.53 119.30 112.84 3d29 s MET 74 Ca 0.14 -0.38 -0.26 0.00 -1.25 0.00 0.00 55.69 53.95 3d29 s MET 74 Cb 0.08 0.26 0.09 0.00 1.25 0.00 0.00 34.83 36.50 3d29 s MET 74 CO 0.11 -0.16 1.13 0.20 1.05 0.00 0.00 175.02 177.35 3d29 s GLY 75 N -1.52 -0.11 0.25 2.11 0.00 -0.89 -0.92 107.32 106.23 3d29 s GLY 75 Ca -0.12 0.04 -0.14 0.00 0.00 0.00 0.00 44.72 44.50 3d29 s GLY 75 CO 0.01 2.12 0.51 0.48 0.00 0.00 0.00 173.10 176.22 3d29 s LEU 76 N -3.31 0.24 0.11 0.66 2.34 -0.14 -1.72 118.68 116.86 3d29 s LEU 76 Ca 0.20 -0.88 0.09 0.00 0.06 0.00 0.00 54.13 53.60 3d29 s LEU 76 Cb -0.00 1.89 -0.04 0.00 -0.56 0.00 0.00 46.19 47.49 3d29 s LEU 76 CO 0.02 -1.16 -0.22 -0.94 -1.06 0.00 0.00 176.35 172.98 3d29 s SER 77 N -3.00 2.64 0.26 1.48 1.04 0.03 -0.92 113.70 115.24 3d29 s SER 77 Ca 0.21 -0.70 0.11 0.00 0.48 0.00 0.00 55.95 56.05 3d29 s SER 77 Cb -0.01 -0.15 -0.05 0.00 0.10 0.00 0.00 66.02 65.91 3d29 s SER 77 CO 0.08 0.07 -0.18 -1.48 0.98 0.00 0.00 173.24 172.72 3d29 s LEU 78 N -1.93 2.58 -0.18 2.42 0.05 -0.18 -1.04 118.68 120.40 3d29 s LEU 78 Ca 0.07 -1.03 -0.05 0.00 0.05 0.00 0.00 54.13 53.18 3d29 s LEU 78 Cb -0.10 -0.99 0.09 0.00 -2.05 0.00 0.00 46.19 43.14 3d29 s LEU 78 CO 0.04 -0.02 0.31 0.00 -0.55 0.00 0.00 176.35 176.13 3d29 s ALA 79 N -2.63 -0.73 0.00 1.48 0.00 -0.78 -4.89 121.76 114.20 3d29 s ALA 79 Ca 0.28 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.16 3d29 s ALA 79 Cb -0.04 -1.26 0.00 0.00 0.00 0.00 0.00 23.12 21.82 3d29 s ALA 79 CO 0.13 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.41 3d29 n GLY 80 N 5.36 0.38 3.60 0.00 0.00 -1.26 -0.12 105.19 113.14 3d29 n GLY 80 Ca -0.06 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.72 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 3.46 0.21 0.99 1.43 0.73 -4.89 118.68 120.61 3d29 s LEU 81 Ca 0.00 1.55 -0.09 0.00 -1.03 0.00 0.00 54.13 54.56 3d29 s LEU 81 Cb 0.00 -3.45 0.29 0.00 0.03 0.00 0.00 46.19 43.06 3d29 s LEU 81 CO 0.00 -1.89 1.73 0.00 0.23 0.00 0.00 176.35 176.42 3d29 h ALA 82 N 14.24 0.76 -0.53 4.21 0.00 -1.95 -2.40 119.26 133.59 3d29 h ALA 82 Ca -0.37 0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.72 3d29 h ALA 82 Cb 1.21 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 3d29 h ALA 82 CO 1.01 -0.24 0.18 -1.35 0.00 0.00 0.00 179.25 178.84 3d29 h PRO 83 N 0.35 0.34 -0.04 0.00 0.11 -1.99 -0.98 132.00 129.79 3d29 h PRO 83 Ca 0.31 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.41 3d29 h PRO 83 Cb 0.42 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.46 3d29 h PRO 83 CO -0.35 0.22 0.03 -0.44 -0.21 0.00 0.00 178.00 177.25 3d29 h ASP 84 N 0.35 0.03 0.03 -2.05 3.45 -1.82 -0.76 116.42 115.64 3d29 h ASP 84 Ca 0.26 -0.00 -0.15 0.00 0.43 0.00 0.00 57.03 57.57 3d29 h ASP 84 Cb 0.31 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.06 3d29 h ASP 84 CO -0.28 0.02 -0.51 0.00 -1.57 0.00 0.00 179.24 176.90 3d29 h ALA 85 N 1.98 0.75 -0.59 3.45 0.00 -1.00 -0.97 119.26 122.87 3d29 h ALA 85 Ca 0.02 -0.49 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 3d29 h ALA 85 Cb 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3d29 h ALA 85 CO -0.00 0.68 -0.02 -0.09 0.00 0.00 0.00 179.25 179.82 3d29 h ARG 86 N 0.42 1.05 -0.10 0.00 2.43 -0.56 0.26 114.38 117.89 3d29 h ARG 86 Ca 0.02 -0.34 -0.01 0.00 -0.81 0.00 0.00 59.98 58.83 3d29 h ARG 86 Cb 1.04 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.50 3d29 h ARG 86 CO 0.10 1.04 0.01 0.28 -1.51 0.00 0.00 179.97 179.88 3d29 h VAL 87 N 0.94 1.23 -0.37 0.20 2.07 -1.08 -1.49 116.25 117.75 3d29 h VAL 87 Ca 0.16 -0.73 -0.13 0.00 0.82 0.00 0.00 66.70 66.83 3d29 h VAL 87 Cb 0.58 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 3d29 h VAL 87 CO 0.03 0.21 -0.29 -0.07 0.02 0.00 0.00 177.57 177.48 3d29 h LEU 88 N -0.09 0.81 -0.55 2.57 3.38 -1.06 -2.13 115.31 118.25 3d29 h LEU 88 Ca 0.03 -0.32 -0.16 0.00 0.09 0.00 0.00 57.88 57.52 3d29 h LEU 88 Cb 0.32 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3d29 h LEU 88 CO 0.00 1.05 -0.65 0.77 0.09 0.00 0.00 178.44 179.70 3d29 h SER 89 N 0.67 0.34 0.01 -0.43 4.64 -0.49 -0.91 113.55 117.38 3d29 h SER 89 Ca 0.08 -0.21 -0.10 0.00 -0.47 0.00 0.00 61.79 61.09 3d29 h SER 89 Cb 0.82 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 3d29 h SER 89 CO 0.07 0.90 -0.29 -1.13 -0.87 0.00 0.00 176.83 175.51 3d29 h ASN 90 N 0.21 0.43 0.45 4.97 -0.73 -1.18 0.11 115.58 119.85 3d29 h ASN 90 Ca -0.01 -0.15 -0.17 0.00 1.87 0.00 0.00 56.30 57.84 3d29 h ASN 90 Cb 1.19 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 39.65 3d29 h ASN 90 CO 0.11 0.71 -0.71 0.22 -0.37 0.00 0.00 177.43 177.39 3d29 h TYR 91 N 0.38 0.30 -0.13 0.67 5.03 -1.11 -1.87 116.97 120.22 3d29 h TYR 91 Ca 0.05 -0.13 -0.14 0.00 2.58 0.00 0.00 58.73 61.09 3d29 h TYR 91 Cb 0.70 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.93 3d29 h TYR 91 CO 0.02 0.85 -0.52 1.25 -1.32 0.00 0.00 178.16 178.45 3d29 h LEU 92 N 0.15 0.40 -0.49 2.82 5.85 -0.55 -1.86 115.31 121.62 3d29 h LEU 92 Ca -0.02 -0.20 -0.08 0.00 0.84 0.00 0.00 57.88 58.41 3d29 h LEU 92 Cb 1.26 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 3d29 h LEU 92 CO 0.11 0.85 -0.02 0.03 -0.34 0.00 0.00 178.44 179.07 3d29 h ARG 93 N 0.29 0.88 -0.68 1.25 3.08 -0.54 -1.50 114.38 117.16 3d29 h ARG 93 Ca 0.01 -0.29 -0.04 0.00 0.07 0.00 0.00 59.98 59.73 3d29 h ARG 93 Cb 1.01 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.95 3d29 h ARG 93 CO 0.09 0.93 0.27 1.96 -1.07 0.00 0.00 179.97 182.14 3d29 h GLN 94 N 0.74 1.02 -0.42 0.04 4.20 -1.14 -0.33 115.11 119.22 3d29 h GLN 94 Ca 0.14 -0.19 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 3d29 h GLN 94 Cb 0.55 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 3d29 h GLN 94 CO 0.03 0.85 -0.05 1.96 -0.67 0.00 0.00 178.83 180.95 3d29 h GLN 95 N 0.97 0.71 -0.34 1.46 1.08 -1.18 0.76 115.11 118.58 3d29 h GLN 95 Ca 0.23 -0.20 -0.07 0.00 -1.45 0.00 0.00 58.65 57.16 3d29 h GLN 95 Cb 0.21 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 3d29 h GLN 95 CO -0.02 0.76 -0.06 0.00 -0.95 0.00 0.00 178.83 178.56 3d29 h ASN 97 N 0.42 0.11 -0.87 0.00 -0.00 -0.77 -2.52 115.58 111.95 3d29 h ASN 97 Ca 0.09 -0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.39 3d29 h ASN 97 Cb 0.55 -0.02 -0.04 0.00 -0.00 0.00 0.00 38.32 38.80 3d29 h ASN 97 CO 0.03 0.08 0.55 0.22 -0.00 0.00 0.00 177.43 178.31 3d29 h TYR 98 N 0.13 1.11 -0.90 0.67 3.20 -0.80 -0.03 116.97 120.36 3d29 h TYR 98 Ca 0.04 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.94 3d29 h TYR 98 Cb -0.01 -0.37 -0.05 0.00 1.54 0.00 0.00 36.73 37.84 3d29 h TYR 98 CO -0.08 0.72 0.59 1.03 -1.64 0.00 0.00 178.16 178.78 3d29 h SER 99 N 1.18 1.00 0.33 -2.11 0.87 -1.14 -0.86 113.55 112.83 3d29 h SER 99 Ca 0.31 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.84 3d29 h SER 99 Cb -0.09 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.63 3d29 h SER 99 CO -0.06 0.70 -0.16 0.28 -0.53 0.00 0.00 176.83 177.06 3d29 h SER 100 N 1.17 -0.38 -0.32 6.23 0.02 -0.96 -1.35 113.55 117.95 3d29 h SER 100 Ca 0.34 -0.15 0.06 0.00 -0.84 0.00 0.00 61.79 61.21 3d29 h SER 100 Cb -0.06 0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.52 3d29 h SER 100 CO -0.10 0.07 -0.05 -0.07 -1.14 0.00 0.00 176.83 175.55 3d29 h LEU 101 N -0.97 -0.24 0.25 5.07 3.38 -0.98 0.72 115.31 122.54 3d29 h LEU 101 Ca -0.05 0.09 -0.34 0.00 0.09 0.00 0.00 57.88 57.68 3d29 h LEU 101 Cb 0.51 0.18 0.04 0.00 0.09 0.00 0.00 40.66 41.47 3d29 h LEU 101 CO 0.08 -0.08 -1.49 0.58 0.09 0.00 0.00 178.44 177.61 3d29 h VAL 102 N 0.03 1.27 -0.01 1.22 2.07 -1.27 -3.39 116.25 116.18 3d29 h VAL 102 Ca 0.16 -2.71 0.00 0.00 0.82 0.00 0.00 66.70 64.97 3d29 h VAL 102 Cb 0.23 3.03 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 3d29 h VAL 102 CO -0.31 0.82 -0.10 0.49 0.02 0.00 0.00 177.57 178.49 3d29 n PHE 103 N -3.70 0.00 -3.73 1.57 3.01 -0.53 -4.99 117.46 109.09 3d29 n PHE 103 Ca -0.17 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.06 3d29 n PHE 103 Cb 1.10 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 40.61 3d29 n PHE 103 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3d29 n ASN 104 N -0.06 -1.97 -3.87 4.37 4.05 0.25 -4.96 115.26 113.08 3d29 n ASN 104 Ca 0.04 -0.80 -0.16 0.00 0.45 0.00 0.00 54.58 54.10 3d29 n ASN 104 Cb 0.17 -4.09 -0.15 0.00 1.23 0.00 0.00 39.78 36.94 3d29 n ASN 104 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 177.26 173.61 3d29 s ARG 105 N -6.08 0.35 0.01 1.20 3.52 -1.10 -4.97 118.95 111.89 3d29 s ARG 105 Ca 0.14 -0.02 -0.30 0.00 -0.13 0.00 0.00 55.73 55.42 3d29 s ARG 105 Cb -0.07 -0.44 -0.03 0.00 -1.56 0.00 0.00 34.95 32.84 3d29 s ARG 105 CO 0.81 -0.05 1.02 0.15 -0.81 0.00 0.00 175.30 176.42 3d29 s LYS 106 N 0.60 4.54 0.06 5.12 1.02 -1.26 -2.81 119.74 127.00 3d29 s LYS 106 Ca -0.06 1.48 -0.30 0.00 0.02 0.00 0.00 55.97 57.10 3d29 s LYS 106 Cb -0.09 -3.44 -0.09 0.00 -0.52 0.00 0.00 37.83 33.69 3d29 s LYS 106 CO -0.01 -0.08 1.84 -1.17 -0.92 0.00 0.00 175.35 175.00 3d29 s LEU 107 N 1.02 4.40 0.39 3.17 2.96 -1.26 -4.95 118.68 124.40 3d29 s LEU 107 Ca 0.53 2.62 -0.26 0.00 -0.22 0.00 0.00 54.13 56.79 3d29 s LEU 107 Cb -0.22 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 42.83 3d29 s LEU 107 CO 0.28 -1.00 1.28 0.00 -1.32 0.00 0.00 176.35 175.59 3d29 s ALA 108 N 3.58 3.29 0.26 5.97 0.00 -1.26 -4.87 121.76 128.73 3d29 s ALA 108 Ca 0.82 1.19 -0.02 0.00 0.00 0.00 0.00 51.96 53.95 3d29 s ALA 108 Cb -0.42 -3.46 0.43 0.00 0.00 0.00 0.00 23.12 19.67 3d29 s ALA 108 CO 0.37 -0.73 1.85 0.28 0.00 0.00 0.00 175.76 177.54 3d29 h VAL 109 N 2.57 1.00 -0.21 0.00 2.07 -1.94 -0.82 116.25 118.92 3d29 h VAL 109 Ca -0.49 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 3d29 h VAL 109 Cb 1.24 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3d29 h VAL 109 CO 0.63 0.19 0.04 -0.08 0.02 0.00 0.00 177.57 178.37 3d29 h GLU 110 N 1.03 0.30 -0.03 1.57 4.81 -2.00 -1.30 114.58 118.95 3d29 h GLU 110 Ca 0.44 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.45 3d29 h GLU 110 Cb 0.29 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.63 3d29 h GLU 110 CO -0.21 0.30 -0.66 -0.09 -0.73 0.00 0.00 179.01 177.62 3d29 h ARG 111 N 0.30 0.50 -0.94 1.92 2.43 -1.57 -2.66 114.38 114.36 3d29 h ARG 111 Ca 0.07 -0.50 0.13 0.00 -0.81 0.00 0.00 59.98 58.88 3d29 h ARG 111 Cb 0.15 0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 29.75 3d29 h ARG 111 CO -0.00 1.13 0.60 0.00 -1.51 0.00 0.00 179.97 180.19 3d29 h ALA 112 N 0.38 1.69 -0.43 2.80 0.00 -0.76 0.64 119.26 123.58 3d29 h ALA 112 Ca -0.07 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3d29 h ALA 112 Cb 1.34 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3d29 h ALA 112 CO 0.13 0.06 0.13 0.78 0.00 0.00 0.00 179.25 180.35 3d29 h GLY 113 N 0.83 0.72 1.03 0.00 0.00 -1.17 -0.50 103.07 103.97 3d29 h GLY 113 Ca 0.47 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 3d29 h GLY 113 CO -0.24 0.40 0.13 0.45 0.00 0.00 0.00 176.54 177.29 3d29 h HIS 114 N 0.55 1.04 -0.52 5.60 -0.00 -0.73 -0.73 115.15 120.36 3d29 h HIS 114 Ca 0.14 -0.13 -0.04 0.00 -0.00 0.00 0.00 60.37 60.34 3d29 h HIS 114 Cb 0.28 -0.29 -0.02 0.00 -0.00 0.00 0.00 27.41 27.38 3d29 h HIS 114 CO 0.01 0.88 0.19 -0.07 -0.00 0.00 0.00 177.93 178.94 3d29 h LEU 115 N 0.89 0.74 -0.44 2.43 3.38 -0.78 -1.47 115.31 120.06 3d29 h LEU 115 Ca 0.19 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3d29 h LEU 115 Cb 0.38 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3d29 h LEU 115 CO 0.01 0.73 0.20 -0.07 0.09 0.00 0.00 178.44 179.39 3d29 h LEU 116 N 0.71 0.59 -0.36 1.67 3.38 -0.87 -1.72 115.31 118.71 3d29 h LEU 116 Ca 0.17 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.04 3d29 h LEU 116 Cb 0.24 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3d29 h LEU 116 CO -0.01 0.57 0.12 0.00 0.09 0.00 0.00 178.44 179.21 3d29 h ASP 118 N 0.26 0.28 -0.15 0.00 3.32 -1.04 -0.68 116.42 118.41 3d29 h ASP 118 Ca 0.17 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 3d29 h ASP 118 Cb 0.15 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 3d29 h ASP 118 CO -0.18 0.47 -0.11 0.50 -1.72 0.00 0.00 179.24 178.21 3d29 h LYS 119 N 0.27 0.34 -0.58 3.56 3.64 -0.79 -2.86 116.57 120.14 3d29 h LYS 119 Ca 0.05 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 3d29 h LYS 119 Cb 0.47 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 3d29 h LYS 119 CO 0.03 0.69 0.34 0.00 -2.27 0.00 0.00 179.45 178.24 3d29 h ALA 120 N 0.64 0.74 -0.65 5.00 0.00 -1.07 -3.03 119.26 120.89 3d29 h ALA 120 Ca 0.03 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 54.96 3d29 h ALA 120 Cb 0.61 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 3d29 h ALA 120 CO 0.03 0.23 0.27 0.37 0.00 0.00 0.00 179.25 180.16 3d29 h GLN 121 N 0.79 0.46 -0.07 0.00 -0.00 -1.04 -1.75 115.11 113.50 3d29 h GLN 121 Ca 0.21 -0.03 0.02 0.00 -0.00 0.00 0.00 58.65 58.85 3d29 h GLN 121 Cb -0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 27.48 27.37 3d29 h GLN 121 CO -0.04 0.30 0.29 0.87 0.00 0.00 0.00 178.83 180.26 3d29 h LYS 122 N 0.47 0.00 -0.69 1.69 1.57 -1.37 -0.40 116.57 117.84 3d29 h LYS 122 Ca 0.33 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.01 3d29 h LYS 122 Cb 0.39 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.64 3d29 h LYS 122 CO -0.30 0.00 0.12 0.09 -0.57 0.00 0.00 179.45 178.79 3d29 n ASN 123 N -3.10 5.09 0.00 0.86 3.02 -0.66 -4.05 115.26 116.43 3d29 n ASN 123 Ca -0.01 -2.99 0.00 0.00 -0.03 0.00 0.00 54.58 51.55 3d29 n ASN 123 Cb 0.36 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 3d29 n ASN 123 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3d29 n THR 124 N 0.26 0.26 -0.14 3.41 -2.24 -0.16 -3.37 114.28 112.30 3d29 n THR 124 Ca 0.32 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3d29 n THR 124 Cb 1.23 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 70.52 3d29 n THR 124 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3d29 n GLN 125 N -0.13 2.07 -4.53 -0.78 7.27 -1.25 -4.65 117.38 115.38 3d29 n GLN 125 Ca 0.00 -0.05 -0.30 0.00 0.07 0.00 0.00 57.00 56.72 3d29 n GLN 125 Cb 0.33 -0.33 -0.12 0.00 2.41 0.00 0.00 30.24 32.53 3d29 n GLN 125 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 3d29 s SER 126 N -0.31 3.86 0.59 1.69 0.01 -1.26 -4.89 113.70 113.39 3d29 s SER 126 Ca 0.00 -0.46 -0.19 0.00 1.31 0.00 0.00 55.95 56.61 3d29 s SER 126 Cb 0.00 -0.60 -0.04 0.00 0.21 0.00 0.00 66.02 65.59 3d29 s SER 126 CO 0.00 0.23 1.19 -0.47 0.41 0.00 0.00 173.24 174.60 3d29 s TYR 127 N -1.01 2.45 0.00 2.43 5.04 -1.26 -3.51 117.35 121.49 3d29 s TYR 127 Ca 0.16 1.52 0.00 0.00 -2.44 0.00 0.00 57.07 56.31 3d29 s TYR 127 Cb -0.11 -3.43 0.00 0.00 0.35 0.00 0.00 41.96 38.77 3d29 s TYR 127 CO 0.07 -2.08 0.00 0.41 -1.34 0.00 0.00 175.55 172.61 3d29 n GLY 128 N 0.41 2.65 3.89 8.97 0.00 -1.26 -5.01 105.19 114.84 3d29 n GLY 128 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 3d29 n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d29 s GLY 129 N -0.80 1.59 0.13 -0.02 0.00 -1.23 -5.09 107.32 101.90 3d29 s GLY 129 Ca 0.00 -0.36 0.10 0.00 0.00 0.00 0.00 44.72 44.46 3d29 s GLY 129 CO 0.00 -0.16 -0.23 1.09 0.00 0.00 0.00 173.10 173.80 3d29 s ARG 130 N -4.78 1.29 0.89 2.90 1.70 -1.26 -4.68 118.95 115.00 3d29 s ARG 130 Ca 0.50 -1.30 -0.11 0.00 -0.47 0.00 0.00 55.73 54.35 3d29 s ARG 130 Cb -0.10 -1.62 0.12 0.00 -0.57 0.00 0.00 34.95 32.78 3d29 s ARG 130 CO 0.46 0.37 1.09 -2.14 -1.08 0.00 0.00 175.30 174.01 3d29 s PRO 131 N -2.14 1.33 0.35 3.89 0.02 -1.22 -4.84 135.00 132.39 3d29 s PRO 131 Ca 0.12 0.83 -0.25 0.00 0.02 0.00 0.00 61.00 61.72 3d29 s PRO 131 Cb -0.09 -1.82 -0.10 0.00 0.02 0.00 0.00 34.50 32.51 3d29 s PRO 131 CO 0.06 -2.19 0.99 0.71 -0.33 0.00 0.00 177.00 176.24 3d29 s TYR 132 N -2.94 3.52 -0.73 6.54 1.51 -1.26 -4.97 117.35 119.02 3d29 s TYR 132 Ca 0.63 1.72 0.01 0.00 -1.01 0.00 0.00 57.07 58.42 3d29 s TYR 132 Cb -0.18 -3.02 0.36 0.00 -0.11 0.00 0.00 41.96 39.02 3d29 s TYR 132 CO 0.57 -0.16 1.59 0.41 -1.11 0.00 0.00 175.55 176.86 3d29 n GLY 133 N 0.48 5.78 3.38 0.71 0.00 -1.26 -4.64 105.19 109.65 3d29 n GLY 133 Ca 0.03 -2.62 -0.14 0.00 0.00 0.00 0.00 46.02 43.29 3d29 n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d29 s VAL 134 N -5.01 0.02 0.10 1.61 0.11 -1.26 -0.19 120.40 115.76 3d29 s VAL 134 Ca 0.48 -0.14 0.02 0.00 -2.93 0.00 0.00 61.98 59.42 3d29 s VAL 134 Cb 0.37 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 34.43 3d29 s VAL 134 CO -0.27 -0.08 0.14 -0.83 -3.33 0.00 0.00 175.10 170.74 3d29 s GLY 135 N -0.53 1.98 -0.01 6.54 0.00 0.83 -4.12 107.32 112.03 3d29 s GLY 135 Ca -0.06 -1.00 0.01 0.00 0.00 0.00 0.00 44.72 43.67 3d29 s GLY 135 CO 0.04 -0.99 -0.04 1.08 0.00 0.00 0.00 173.10 173.19 3d29 s LEU 136 N -2.63 1.92 -0.18 0.66 1.43 -0.61 -1.86 118.68 117.42 3d29 s LEU 136 Ca 0.32 -0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 53.32 3d29 s LEU 136 Cb -0.12 -0.24 -0.00 0.00 0.03 0.00 0.00 46.19 45.86 3d29 s LEU 136 CO 0.24 0.04 -0.10 -0.76 0.23 0.00 0.00 176.35 176.00 3d29 s LEU 137 N 0.01 2.68 -0.13 1.79 1.43 -0.20 0.50 118.68 124.76 3d29 s LEU 137 Ca 0.00 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 3d29 s LEU 137 Cb -0.03 -1.64 -0.00 0.00 0.03 0.00 0.00 46.19 44.54 3d29 s LEU 137 CO -0.00 0.05 -0.18 -0.63 0.23 0.00 0.00 176.35 175.82 3d29 s ILE 138 N 1.06 2.53 0.12 -0.59 1.01 -0.14 -0.79 121.20 124.40 3d29 s ILE 138 Ca -0.00 -0.83 0.10 0.00 0.00 0.00 0.00 60.65 59.92 3d29 s ILE 138 Cb -0.15 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 3d29 s ILE 138 CO -0.02 0.53 -0.24 0.27 0.00 0.00 0.00 174.94 175.48 3d29 s ILE 139 N 0.58 2.42 -0.05 2.92 -4.36 -0.70 0.36 121.20 122.37 3d29 s ILE 139 Ca -0.10 -1.64 -0.31 0.00 -0.26 0.00 0.00 60.65 58.34 3d29 s ILE 139 Cb -0.16 -2.07 0.11 0.00 1.25 0.00 0.00 42.46 41.59 3d29 s ILE 139 CO 0.03 0.12 1.07 -0.83 0.24 0.00 0.00 174.94 175.58 3d29 s GLY 140 N -1.99 -0.36 -0.20 6.27 0.00 -0.94 -2.09 107.32 108.00 3d29 s GLY 140 Ca 0.15 1.06 -0.00 0.00 0.00 0.00 0.00 44.72 45.93 3d29 s GLY 140 CO 0.07 0.33 -0.05 -0.47 0.00 0.00 0.00 173.10 172.98 3d29 s TYR 141 N -2.78 1.98 0.00 1.90 5.04 -0.59 -1.08 117.35 121.83 3d29 s TYR 141 Ca 0.09 -1.39 0.00 0.00 -2.44 0.00 0.00 57.07 53.33 3d29 s TYR 141 Cb -0.00 -1.43 0.00 0.00 0.35 0.00 0.00 41.96 40.88 3d29 s TYR 141 CO -0.05 -0.70 0.00 -0.40 -1.34 0.00 0.00 175.55 173.06 3d29 n ASP 142 N 4.79 1.60 0.00 4.32 3.85 -0.47 -4.84 116.55 125.80 3d29 n ASP 142 Ca -0.12 -0.25 0.02 0.00 -0.71 0.00 0.00 54.79 53.74 3d29 n ASP 142 Cb 0.46 0.00 0.13 0.00 -1.35 0.00 0.00 41.12 40.36 3d29 n ASP 142 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3d29 n LYS 143 N 0.00 0.10 -0.05 0.11 5.02 -1.26 -1.37 118.16 120.71 3d29 n LYS 143 Ca 0.00 0.18 0.03 0.00 -2.02 0.00 0.00 58.31 56.50 3d29 n LYS 143 Cb 0.00 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.56 3d29 n LYS 143 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3d29 n SER 144 N -1.21 2.22 0.00 4.39 3.41 -1.26 -5.11 113.62 116.06 3d29 n SER 144 Ca 0.03 -2.28 0.00 0.00 -0.26 0.00 0.00 58.87 56.36 3d29 n SER 144 Cb 0.03 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 3d29 n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d29 n GLY 145 N -0.62 0.09 3.85 5.00 0.00 -0.47 -4.99 105.19 108.05 3d29 n GLY 145 Ca 0.05 -1.86 -0.34 0.00 0.00 0.00 0.00 46.02 43.88 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 3.48 0.03 4.61 0.00 -1.26 -1.37 121.76 125.24 3d29 s ALA 146 Ca 0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 51.96 51.82 3d29 s ALA 146 Cb 0.00 -2.62 -0.00 0.00 0.00 0.00 0.00 23.12 20.50 3d29 s ALA 146 CO 0.00 0.41 0.15 -1.01 0.00 0.00 0.00 175.76 175.32 3d29 s HIS 147 N -1.70 0.08 -0.03 0.00 3.76 -0.24 -4.99 115.29 112.18 3d29 s HIS 147 Ca 0.45 -0.28 -0.00 0.00 -0.15 0.00 0.00 55.06 55.08 3d29 s HIS 147 Cb -0.13 -0.06 0.03 0.00 1.11 0.00 0.00 32.58 33.53 3d29 s HIS 147 CO 0.20 -0.37 0.02 -1.17 -0.85 0.00 0.00 174.74 172.57 3d29 s LEU 148 N -1.86 0.89 0.07 0.89 2.96 -1.25 -2.21 118.68 118.16 3d29 s LEU 148 Ca -0.08 0.02 0.09 0.00 -0.22 0.00 0.00 54.13 53.93 3d29 s LEU 148 Cb -0.03 -0.16 -0.03 0.00 0.50 0.00 0.00 46.19 46.47 3d29 s LEU 148 CO -0.02 -0.15 -0.24 -0.76 -1.32 0.00 0.00 176.35 173.86 3d29 s LEU 149 N 1.33 2.21 -0.20 -0.68 1.02 0.16 -1.38 118.68 121.14 3d29 s LEU 149 Ca -0.06 -0.61 -0.01 0.00 0.02 0.00 0.00 54.13 53.47 3d29 s LEU 149 Cb -0.13 -1.13 0.00 0.00 0.02 0.00 0.00 46.19 44.95 3d29 s LEU 149 CO -0.03 0.19 -0.12 -0.70 0.02 0.00 0.00 176.35 175.71 3d29 s GLU 150 N -1.45 3.19 -0.20 1.70 2.12 0.13 -0.96 118.70 123.23 3d29 s GLU 150 Ca 0.10 -0.72 -0.05 0.00 0.36 0.00 0.00 54.97 54.66 3d29 s GLU 150 Cb -0.10 -2.79 -0.02 0.00 0.26 0.00 0.00 34.13 31.48 3d29 s GLU 150 CO 0.03 -0.19 0.00 0.12 -0.54 0.00 0.00 175.26 174.68 3d29 s PHE 151 N 1.35 3.04 0.02 5.30 5.36 0.18 -0.85 117.98 132.39 3d29 s PHE 151 Ca 0.05 -0.45 0.05 0.00 -0.96 0.00 0.00 56.93 55.61 3d29 s PHE 151 Cb -0.14 -2.09 -0.03 0.00 -0.34 0.00 0.00 43.02 40.42 3d29 s PHE 151 CO -0.08 -0.24 -0.12 -0.65 -1.46 0.00 0.00 175.22 172.68 3d29 s GLN 152 N 1.02 2.34 0.26 10.12 -1.52 -0.52 -1.57 119.66 129.79 3d29 s GLN 152 Ca 0.02 -0.84 0.14 0.00 -1.95 0.00 0.00 55.36 52.73 3d29 s GLN 152 Cb -0.14 -2.36 0.75 0.00 -0.22 0.00 0.00 33.01 31.03 3d29 s GLN 152 CO 0.02 0.57 1.35 -2.30 -0.25 0.00 0.00 175.29 174.68 3d29 n PRO 153 N 1.53 0.09 0.11 2.91 -0.02 -1.26 0.15 135.00 138.51 3d29 n PRO 153 Ca -0.16 0.56 0.12 0.00 -2.02 0.00 0.00 63.50 62.01 3d29 n PRO 153 Cb 0.52 -1.95 0.45 0.00 -0.02 0.00 0.00 33.50 32.50 3d29 n PRO 153 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3d29 n SER 154 N -2.00 0.68 0.00 2.55 3.41 -1.26 -4.53 113.62 112.47 3d29 n SER 154 Ca -0.01 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 3d29 n SER 154 Cb 0.17 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 3d29 n SER 154 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d29 n GLY 155 N 0.68 0.23 3.66 5.00 0.00 0.12 -4.70 105.19 110.18 3d29 n GLY 155 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 3d29 n GLY 155 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3d29 s ASN 156 N -2.02 6.89 -0.06 1.61 0.01 -1.21 -4.42 114.94 115.74 3d29 s ASN 156 Ca 0.00 1.80 0.05 0.00 -0.71 0.00 0.00 52.86 54.00 3d29 s ASN 156 Cb 0.00 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 39.11 3d29 s ASN 156 CO 0.00 -0.79 -0.21 -0.69 -1.51 0.00 0.00 177.10 173.90 3d29 s VAL 157 N 3.59 2.45 -0.01 1.60 1.01 -1.26 -1.44 120.40 126.34 3d29 s VAL 157 Ca 0.58 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.64 3d29 s VAL 157 Cb -0.24 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.22 3d29 s VAL 157 CO 0.18 0.57 -0.03 -0.89 0.00 0.00 0.00 175.10 174.93 3d29 s THR 158 N -0.29 0.25 -0.07 3.92 2.01 -0.03 -4.92 115.64 116.51 3d29 s THR 158 Ca 0.01 -0.09 -0.20 0.00 0.31 0.00 0.00 61.69 61.72 3d29 s THR 158 Cb -0.13 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 72.09 3d29 s THR 158 CO 0.03 0.10 0.56 -0.70 -0.69 0.00 0.00 174.62 173.91 3d29 s GLU 159 N 0.21 4.35 0.26 4.92 2.12 -1.26 0.19 118.70 129.49 3d29 s GLU 159 Ca -0.02 0.63 0.02 0.00 0.36 0.00 0.00 54.97 55.96 3d29 s GLU 159 Cb -0.05 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 3d29 s GLU 159 CO -0.00 0.20 0.17 -0.51 -0.54 0.00 0.00 175.26 174.58 3d29 s LEU 160 N 0.41 1.46 -0.00 2.70 1.43 -0.48 -5.00 118.68 119.20 3d29 s LEU 160 Ca 0.30 -1.53 0.07 0.00 -1.03 0.00 0.00 54.13 51.95 3d29 s LEU 160 Cb -0.17 0.36 -0.24 0.00 0.03 0.00 0.00 46.19 46.18 3d29 s LEU 160 CO 0.14 -0.90 0.82 1.88 0.23 0.00 0.00 176.35 178.52 3d29 h TYR 161 N 2.38 0.11 -1.95 0.29 0.05 -1.94 -3.36 116.97 112.56 3d29 h TYR 161 Ca -0.33 -0.08 0.21 0.00 0.05 0.00 0.00 58.73 58.58 3d29 h TYR 161 Cb 1.24 -0.00 -0.13 0.00 1.01 0.00 0.00 36.73 38.85 3d29 h TYR 161 CO 0.88 1.12 0.63 0.20 -1.05 0.00 0.00 178.16 179.94 3d29 s GLY 162 N -5.02 -0.35 -0.04 3.88 0.00 -1.26 -1.26 107.32 103.26 3d29 s GLY 162 Ca -0.05 0.82 -0.30 0.00 0.00 0.00 0.00 44.72 45.19 3d29 s GLY 162 CO 0.82 0.24 1.32 -1.08 0.00 0.00 0.00 173.10 174.40 3d29 s THR 163 N -2.87 0.00 -0.10 0.90 -1.32 0.64 -4.96 115.64 107.93 3d29 s THR 163 Ca 0.10 -0.12 -0.21 0.00 -1.21 0.00 0.00 61.69 60.24 3d29 s THR 163 Cb 0.00 -2.76 0.05 0.00 -1.51 0.00 0.00 72.50 68.28 3d29 s THR 163 CO -0.04 0.00 0.51 0.00 -2.21 0.00 0.00 174.62 172.89 3d29 s ALA 164 N -2.07 -1.30 0.14 11.08 0.00 -1.26 -0.95 121.76 127.40 3d29 s ALA 164 Ca 0.27 1.11 0.03 0.00 0.00 0.00 0.00 51.96 53.37 3d29 s ALA 164 Cb 0.01 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 3d29 s ALA 164 CO -0.02 -0.29 -0.06 0.96 0.00 0.00 0.00 175.76 176.35 3d29 s ILE 165 N -0.62 0.88 0.00 0.00 -4.36 -0.90 -4.85 121.20 111.35 3d29 s ILE 165 Ca -0.07 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.32 3d29 s ILE 165 Cb -0.03 -1.89 0.00 0.00 1.25 0.00 0.00 42.46 41.79 3d29 s ILE 165 CO 0.05 -0.70 0.00 0.61 0.24 0.00 0.00 174.94 175.14 3d29 n GLY 166 N -0.17 -1.96 3.74 6.27 0.00 -1.26 -1.73 105.19 110.08 3d29 n GLY 166 Ca -0.10 -2.21 -0.42 0.00 0.00 0.00 0.00 46.02 43.30 3d29 n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d29 s ALA 167 N -1.09 3.67 -1.36 4.61 0.00 0.15 -2.23 121.76 125.51 3d29 s ALA 167 Ca 0.00 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.30 3d29 s ALA 167 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.54 3d29 s ALA 167 CO 0.00 -0.75 0.00 0.54 0.00 0.00 0.00 175.76 175.55 3d29 n ARG 168 N 2.91 -1.10 0.26 0.00 1.74 -1.26 -4.30 116.66 114.90 3d29 n ARG 168 Ca 0.09 0.93 0.10 0.00 -0.77 0.00 0.00 57.85 58.20 3d29 n ARG 168 Cb 0.40 -5.06 0.68 0.00 -1.02 0.00 0.00 32.46 27.46 3d29 n ARG 168 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3d29 h SER 169 N 0.00 0.00 -0.58 0.55 4.64 -1.75 -2.64 113.55 113.77 3d29 h SER 169 Ca -0.26 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.23 3d29 h SER 169 Cb 0.94 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.01 3d29 h SER 169 CO 0.38 0.10 0.44 -0.61 -0.87 0.00 0.00 176.83 176.27 3d29 h GLN 170 N 0.00 0.00 0.52 4.77 5.75 -1.89 -1.92 115.11 122.34 3d29 h GLN 170 Ca -0.00 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 3d29 h GLN 170 Cb 0.22 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.77 3d29 h GLN 170 CO 0.01 0.00 -0.25 0.78 -2.65 0.00 0.00 178.83 176.72 3d29 h GLY 171 N 0.00 -0.73 0.43 2.39 0.00 -1.69 -1.70 103.07 101.78 3d29 h GLY 171 Ca 0.28 0.27 0.13 0.00 0.00 0.00 0.00 47.33 48.00 3d29 h GLY 171 CO -0.00 -0.26 0.60 0.00 0.00 0.00 0.00 176.54 176.87 3d29 h ALA 172 N -1.67 1.47 -0.31 3.60 0.00 -1.55 -2.17 119.26 118.63 3d29 h ALA 172 Ca -0.07 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3d29 h ALA 172 Cb 0.53 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3d29 h ALA 172 CO 0.12 0.16 0.17 -0.22 0.00 0.00 0.00 179.25 179.48 3d29 h LYS 173 N 0.93 0.34 -0.41 0.00 3.64 -1.29 0.11 116.57 119.89 3d29 h LYS 173 Ca 0.49 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.85 3d29 h LYS 173 Cb 0.52 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 3d29 h LYS 173 CO -0.28 0.23 0.23 1.15 -2.27 0.00 0.00 179.45 178.51 3d29 h THR 174 N 0.35 1.14 -0.62 1.00 2.02 -0.73 0.13 112.91 116.20 3d29 h THR 174 Ca 0.13 -0.35 0.05 0.00 0.77 0.00 0.00 66.41 67.01 3d29 h THR 174 Cb 0.02 0.64 -0.05 0.00 -1.74 0.00 0.00 68.15 67.02 3d29 h THR 174 CO -0.07 0.14 0.35 0.22 0.37 0.00 0.00 175.52 176.53 3d29 h TYR 175 N 0.53 0.64 -0.18 3.16 3.20 -0.96 -0.30 116.97 123.05 3d29 h TYR 175 Ca 0.14 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.91 3d29 h TYR 175 Cb 0.03 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 3d29 h TYR 175 CO -0.03 0.32 -0.41 -0.07 -1.64 0.00 0.00 178.16 176.33 3d29 h LEU 176 N 0.66 0.45 -0.62 2.82 3.38 -0.44 0.24 115.31 121.79 3d29 h LEU 176 Ca 0.27 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3d29 h LEU 176 Cb 0.14 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3d29 h LEU 176 CO -0.16 0.82 0.00 1.21 0.09 0.00 0.00 178.44 180.40 3d29 n GLU 177 N -4.02 0.20 -0.11 1.13 2.13 0.41 -0.95 120.64 119.43 3d29 n GLU 177 Ca -0.02 0.40 -0.16 0.00 0.66 0.00 0.00 57.16 58.05 3d29 n GLU 177 Cb 0.51 -1.86 -0.13 0.00 0.27 0.00 0.00 31.44 30.22 3d29 n GLU 177 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 3d29 n ARG 178 N -2.23 0.67 0.05 5.31 0.00 -0.20 -4.37 116.66 115.89 3d29 n ARG 178 Ca 0.02 0.11 0.13 0.00 -0.00 0.00 0.00 57.85 58.12 3d29 n ARG 178 Cb 0.25 -1.54 0.37 0.00 0.00 0.00 0.00 32.46 31.54 3d29 n ARG 178 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 3d29 n THR 179 N -3.12 0.29 -0.04 5.15 -1.04 0.76 -4.64 114.28 111.65 3d29 n THR 179 Ca -0.40 -0.17 -0.01 0.00 -2.04 0.00 0.00 64.05 61.43 3d29 n THR 179 Cb 1.05 -0.31 -0.01 0.00 -1.82 0.00 0.00 70.33 69.24 3d29 n THR 179 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3d29 n LEU 180 N -1.92 -0.09 0.26 -4.42 7.94 -0.12 0.77 117.00 119.41 3d29 n LEU 180 Ca 0.05 0.34 0.14 0.00 -1.11 0.00 0.00 56.01 55.43 3d29 n LEU 180 Cb 0.40 -0.11 0.76 0.00 0.53 0.00 0.00 43.42 45.00 3d29 n LEU 180 CO 0.32 -0.22 0.99 0.44 -1.11 0.00 0.00 177.39 177.82 3d29 h ASP 18 N 0.00 0.00 0.00 1.96 3.45 -1.89 -2.76 116.42 117.18 3d29 h ASP 18 Ca 0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.47 3d29 h ASP 18 Cb 0.04 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.81 3d29 h ASP 18 CO -0.08 0.00 -0.36 0.74 -1.57 0.00 0.00 179.24 177.97 3d29 h THR 18 N 0.00 0.00 -0.00 0.35 2.02 0.01 -3.40 112.91 111.89 3d29 h THR 18 Ca 0.00 -0.73 -0.03 0.00 0.77 0.00 0.00 66.41 66.42 3d29 h THR 18 Cb 0.31 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.72 3d29 h THR 18 CO 0.00 0.00 -0.16 2.19 0.37 0.00 0.00 175.52 177.92 3d29 h PHE 18 N -0.73 0.00 0.00 3.16 -5.15 -1.48 -2.43 116.94 110.31 3d29 h PHE 18 Ca 0.00 -0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3d29 h PHE 18 Cb 0.36 -0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.53 3d29 h PHE 18 CO -0.16 0.16 -0.00 0.97 -2.00 0.00 0.00 178.31 177.28 3d29 h ILE 18 N 0.00 0.01 -0.25 0.88 -0.00 -1.66 -1.60 117.51 114.89 3d29 h ILE 18 Ca -0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 64.86 64.66 3d29 h ILE 18 Cb 0.28 1.20 0.00 0.00 -0.00 0.00 0.00 36.82 38.30 3d29 h ILE 18 CO 0.02 0.00 0.00 0.29 -0.00 0.00 0.00 178.15 178.46 3d29 n LYS 18 N -3.10 2.38 -1.80 2.19 5.02 -0.92 -3.55 118.16 118.39 3d29 n LYS 18 Ca -0.02 -2.06 -0.42 0.00 -2.02 0.00 0.00 58.31 53.79 3d29 n LYS 18 Cb 0.16 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.67 3d29 n LYS 18 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3d29 n ILE 18 N 1.34 3.26 -3.74 -0.18 5.41 -0.60 -4.93 119.36 119.92 3d29 n ILE 18 Ca 0.18 -2.97 -0.35 0.00 1.00 0.00 0.00 62.75 60.60 3d29 n ILE 18 Cb 0.58 -2.51 -0.05 0.00 -0.71 0.00 0.00 39.64 36.94 3d29 n ILE 18 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 3d29 s ASP 183 N 3.71 6.52 -0.65 4.38 1.01 -1.26 -4.31 116.67 126.07 3d29 s ASP 183 Ca 0.50 0.60 0.00 0.00 0.71 0.00 0.00 52.55 54.37 3d29 s ASP 183 Cb 0.12 -2.11 0.00 0.00 1.01 0.00 0.00 42.92 41.94 3d29 s ASP 183 CO -0.03 0.29 0.00 0.61 0.21 0.00 0.00 175.17 176.25 3d29 n GLY 184 N 1.35 0.83 2.57 0.21 0.00 -1.26 -4.94 105.19 103.95 3d29 n GLY 184 Ca -0.13 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.28 3d29 n GLY 184 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3d29 n ASN 185 N 0.31 -1.98 -0.27 1.61 4.05 -1.26 -5.02 115.26 112.71 3d29 n ASN 185 Ca -0.06 -2.67 0.04 0.00 0.45 0.00 0.00 54.58 52.34 3d29 n ASN 185 Cb 0.26 0.63 0.18 0.00 1.23 0.00 0.00 39.78 42.08 3d29 n ASN 185 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3d29 h PRO 186 N 5.23 0.55 -0.85 1.20 0.13 -1.92 -2.14 132.00 134.19 3d29 h PRO 186 Ca 0.15 -0.03 0.11 0.00 -0.87 0.00 0.00 66.00 65.36 3d29 h PRO 186 Cb 1.01 -0.12 -0.06 0.00 0.13 0.00 0.00 31.00 31.95 3d29 h PRO 186 CO 0.20 0.37 0.55 -0.44 -0.23 0.00 0.00 178.00 178.45 3d29 h ASP 187 N 0.57 0.70 -0.25 1.44 3.32 -1.98 0.15 116.42 120.38 3d29 h ASP 187 Ca 0.41 0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.36 3d29 h ASP 187 Cb 0.54 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 3d29 h ASP 187 CO -0.34 0.40 -0.35 -0.33 -1.72 0.00 0.00 179.24 176.90 3d29 h GLU 188 N 0.77 0.67 -0.86 3.56 4.39 -1.79 -2.19 114.58 119.12 3d29 h GLU 188 Ca 0.41 -0.39 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 3d29 h GLU 188 Cb 0.52 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.16 3d29 h GLU 188 CO -0.17 1.01 0.42 1.25 -1.16 0.00 0.00 179.01 180.35 3d29 h LEU 189 N 0.38 1.12 -0.51 1.33 6.46 -1.11 -1.78 115.31 121.20 3d29 h LEU 189 Ca 0.03 -0.13 -0.05 0.00 -0.12 0.00 0.00 57.88 57.60 3d29 h LEU 189 Cb 0.93 -0.29 -0.02 0.00 -0.73 0.00 0.00 40.66 40.55 3d29 h LEU 189 CO 0.08 0.94 0.11 0.40 -0.62 0.00 0.00 178.44 179.35 3d29 h ILE 190 N 1.22 1.24 -0.17 4.05 2.04 -0.96 -1.79 117.51 123.15 3d29 h ILE 190 Ca 0.30 -0.88 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 3d29 h ILE 190 Cb 0.11 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 3d29 h ILE 190 CO -0.04 0.32 -0.03 0.11 0.00 0.00 0.00 178.15 178.51 3d29 h LYS 191 N 0.71 0.25 -0.05 2.37 1.57 -1.00 0.23 116.57 120.65 3d29 h LYS 191 Ca 0.16 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.78 3d29 h LYS 191 Cb 0.35 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3d29 h LYS 191 CO 0.00 0.30 -0.52 0.00 -0.57 0.00 0.00 179.45 178.66 3d29 h ALA 192 N 1.73 1.03 -0.18 3.86 0.00 -0.98 -1.16 119.26 123.56 3d29 h ALA 192 Ca 0.06 -0.48 -0.21 0.00 0.00 0.00 0.00 54.91 54.27 3d29 h ALA 192 Cb 0.21 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.93 3d29 h ALA 192 CO 0.01 0.66 -0.72 0.78 0.00 0.00 0.00 179.25 179.98 3d29 h GLY 193 N 1.45 0.88 1.79 0.00 0.00 0.01 -1.49 103.07 105.71 3d29 h GLY 193 Ca 0.00 -1.19 -0.11 0.00 0.00 0.00 0.00 47.33 46.03 3d29 h GLY 193 CO 0.08 1.07 -0.42 -2.08 0.00 0.00 0.00 176.54 175.18 3d29 h VAL 194 N 0.57 1.31 -0.13 4.60 2.07 -0.48 -1.24 116.25 122.96 3d29 h VAL 194 Ca -0.04 -1.54 -0.16 0.00 0.82 0.00 0.00 66.70 65.78 3d29 h VAL 194 Cb 1.35 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.81 3d29 h VAL 194 CO 0.15 0.46 -0.60 -0.08 0.02 0.00 0.00 177.57 177.52 3d29 h GLU 195 N 0.20 0.44 -0.10 1.57 4.81 -1.15 -1.98 114.58 118.37 3d29 h GLU 195 Ca 0.02 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 3d29 h GLU 195 Cb 0.83 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.25 3d29 h GLU 195 CO 0.07 0.91 -0.02 0.00 -0.73 0.00 0.00 179.01 179.24 3d29 h ALA 196 N 1.02 0.13 -0.50 2.92 0.00 -0.89 -3.17 119.26 118.78 3d29 h ALA 196 Ca -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3d29 h ALA 196 Cb 1.14 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3d29 h ALA 196 CO 0.11 -0.15 0.22 0.97 0.00 0.00 0.00 179.25 180.40 3d29 h ILE 197 N -0.12 1.20 0.00 0.00 6.09 -1.22 -2.22 117.51 121.24 3d29 h ILE 197 Ca 0.03 -0.58 0.00 0.00 -1.37 0.00 0.00 64.86 62.93 3d29 h ILE 197 Cb 0.41 0.67 0.00 0.00 0.47 0.00 0.00 36.82 38.36 3d29 h ILE 197 CO 0.01 0.23 0.01 -1.54 -3.07 0.00 0.00 178.15 173.78 3d29 n SER 198 N -4.59 0.52 0.00 2.19 3.41 -0.75 -0.08 113.62 114.33 3d29 n SER 198 Ca 0.02 0.74 0.12 0.00 -0.26 0.00 0.00 58.87 59.49 3d29 n SER 198 Cb 0.13 -0.81 0.60 0.00 -0.26 0.00 0.00 64.21 63.88 3d29 n SER 198 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3d29 n GLN 199 N -2.21 0.33 -0.10 4.33 -0.06 -0.83 -2.54 117.38 116.30 3d29 n GLN 199 Ca -0.01 0.06 0.04 0.00 -2.00 0.00 0.00 57.00 55.09 3d29 n GLN 199 Cb 0.04 -1.50 0.09 0.00 -4.06 0.00 0.00 30.24 24.81 3d29 n GLN 199 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 3d29 n SER 200 N -1.29 2.50 -4.90 1.69 7.64 0.89 -4.08 113.62 116.06 3d29 n SER 200 Ca 0.11 -2.30 -0.29 0.00 1.01 0.00 0.00 58.87 57.41 3d29 n SER 200 Cb 0.19 -0.19 0.07 0.00 -1.01 0.00 0.00 64.21 63.28 3d29 n SER 200 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3d29 s LEU 201 N -1.52 2.67 0.08 -3.43 1.43 -1.05 -4.80 118.68 112.05 3d29 s LEU 201 Ca 0.16 0.82 0.00 0.00 -1.03 0.00 0.00 54.13 54.08 3d29 s LEU 201 Cb 0.12 -3.42 0.00 0.00 0.03 0.00 0.00 46.19 42.92 3d29 s LEU 201 CO 0.05 -1.70 0.00 -1.14 0.23 0.00 0.00 176.35 173.80 3d29 n ARG 202 N -3.16 0.00 0.00 1.70 0.63 -1.26 -4.99 116.66 109.58 3d29 n ARG 202 Ca 0.08 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.92 3d29 n ARG 202 Cb 0.60 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.46 3d29 n ARG 202 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 3d29 h ASP 203 N 0.00 -0.92 -0.04 6.15 3.58 -2.03 -3.47 116.42 119.70 3d29 h ASP 203 Ca 0.00 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.56 3d29 h ASP 203 Cb 0.00 0.36 0.00 0.00 1.72 0.00 0.00 39.33 41.41 3d29 h ASP 203 CO 0.00 -0.27 0.00 -1.84 -2.88 0.00 0.00 179.24 174.25 3d29 n GLU 204 N -4.10 1.02 -4.42 0.28 0.28 -1.26 -5.17 120.64 107.27 3d29 n GLU 204 Ca -0.03 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.77 3d29 n GLU 204 Cb 0.21 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 32.93 3d29 n GLU 204 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3d29 s SER 206 N 1.00 1.45 -0.02 -1.84 0.15 -1.26 -4.90 113.70 108.28 3d29 s SER 206 Ca 0.00 -0.32 -0.30 0.00 0.70 0.00 0.00 55.95 56.03 3d29 s SER 206 Cb 0.00 -0.12 -0.08 0.00 -1.71 0.00 0.00 66.02 64.11 3d29 s SER 206 CO 0.00 0.08 1.97 -1.48 1.20 0.00 0.00 173.24 175.01 3d29 s LEU 207 N -0.68 4.25 0.00 3.45 2.34 -1.26 -4.99 118.68 121.80 3d29 s LEU 207 Ca 0.03 2.48 0.04 0.00 0.06 0.00 0.00 54.13 56.74 3d29 s LEU 207 Cb -0.06 -3.53 0.04 0.00 -0.56 0.00 0.00 46.19 42.09 3d29 s LEU 207 CO 0.00 -1.20 0.36 0.35 -1.06 0.00 0.00 176.35 174.81 3d29 n THR 2 N 5.93 0.00 0.04 5.48 -2.24 -1.26 -4.94 114.28 117.29 3d29 n THR 2 Ca 0.21 -0.92 -0.12 0.00 -2.27 0.00 0.00 64.05 60.95 3d29 n THR 2 Cb 0.42 -0.73 -0.01 0.00 -2.10 0.00 0.00 70.33 67.91 3d29 n THR 2 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3d29 h VAL 2 N 0.09 1.36 -0.51 2.28 3.04 -1.93 -2.54 116.25 118.04 3d29 h VAL 2 Ca -0.13 -2.15 -0.00 0.00 -1.01 0.00 0.00 66.70 63.41 3d29 h VAL 2 Cb 0.59 2.13 -0.00 0.00 -2.01 0.00 0.00 31.29 32.00 3d29 h VAL 2 CO 0.19 0.65 0.00 -0.90 -1.01 0.00 0.00 177.57 176.50 3d29 n ASP 2 N -3.85 5.34 0.00 3.17 5.68 -1.26 -2.42 116.55 123.21 3d29 n ASP 2 Ca -0.05 -2.96 0.00 0.00 -0.50 0.00 0.00 54.79 51.27 3d29 n ASP 2 Cb 0.74 -0.66 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 3d29 n ASP 2 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3d29 n ASN 2 N 0.36 2.49 -4.83 -1.12 5.15 -1.20 -4.74 115.26 111.37 3d29 n ASN 2 Ca 0.27 -0.14 -0.34 0.00 -0.60 0.00 0.00 54.58 53.77 3d29 n ASN 2 Cb 1.14 0.77 -0.06 0.00 -0.53 0.00 0.00 39.78 41.10 3d29 n ASN 2 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3d29 s LEU 210 N -2.04 4.12 -0.04 1.20 2.96 -0.96 -1.12 118.68 122.80 3d29 s LEU 210 Ca 0.00 0.29 0.01 0.00 -0.22 0.00 0.00 54.13 54.21 3d29 s LEU 210 Cb 0.00 -2.24 0.02 0.00 0.50 0.00 0.00 46.19 44.47 3d29 s LEU 210 CO 0.00 0.32 -0.02 -0.55 -1.32 0.00 0.00 176.35 174.79 3d29 s SER 211 N -1.47 0.74 0.02 3.68 0.15 -0.67 -4.25 113.70 111.91 3d29 s SER 211 Ca 0.20 -0.07 0.03 0.00 0.70 0.00 0.00 55.95 56.81 3d29 s SER 211 Cb -0.12 -0.33 -0.02 0.00 -1.71 0.00 0.00 66.02 63.84 3d29 s SER 211 CO 0.11 -0.09 -0.09 -0.63 1.20 0.00 0.00 173.24 173.74 3d29 s ILE 212 N 1.06 0.67 0.02 6.45 1.01 -0.73 0.06 121.20 129.75 3d29 s ILE 212 Ca -0.09 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.83 3d29 s ILE 212 Cb -0.14 -0.63 -0.02 0.00 0.01 0.00 0.00 42.46 41.68 3d29 s ILE 212 CO -0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 174.94 174.82 3d29 s ALA 213 N -0.75 0.19 0.02 9.38 0.00 -0.07 0.81 121.76 131.35 3d29 s ALA 213 Ca -0.02 -0.64 -0.08 0.00 0.00 0.00 0.00 51.96 51.22 3d29 s ALA 213 Cb -0.06 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.20 3d29 s ALA 213 CO 0.00 -0.16 0.16 -1.50 0.00 0.00 0.00 175.76 174.27 3d29 s ILE 214 N -1.58 0.10 -0.05 0.00 2.07 -0.80 -1.02 121.20 119.93 3d29 s ILE 214 Ca -0.14 -0.83 -0.17 0.00 -1.41 0.00 0.00 60.65 58.10 3d29 s ILE 214 Cb -0.09 -0.71 0.03 0.00 0.13 0.00 0.00 42.46 41.82 3d29 s ILE 214 CO -0.01 -0.46 0.37 0.54 -1.91 0.00 0.00 174.94 173.47 3d29 s VAL 215 N -2.06 0.04 -0.03 4.00 0.11 -0.77 -1.27 120.40 120.41 3d29 s VAL 215 Ca -0.09 -0.31 -0.11 0.00 -2.93 0.00 0.00 61.98 58.54 3d29 s VAL 215 Cb -0.04 -0.65 0.03 0.00 -1.53 0.00 0.00 36.38 34.20 3d29 s VAL 215 CO -0.01 -0.17 0.48 0.61 -3.33 0.00 0.00 175.10 172.67 3d29 n GLY 216 N 1.57 0.30 0.05 6.54 0.00 -0.31 -1.08 105.19 112.26 3d29 n GLY 216 Ca -0.19 -0.88 -0.01 0.00 0.00 0.00 0.00 46.02 44.94 3d29 n GLY 216 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3d29 n LYS 217 N -0.35 -0.05 -0.88 1.61 4.81 -0.83 -0.61 118.16 121.87 3d29 n LYS 217 Ca 0.02 0.29 0.03 0.00 -0.87 0.00 0.00 58.31 57.79 3d29 n LYS 217 Cb 0.20 -0.43 0.16 0.00 0.02 0.00 0.00 35.03 34.98 3d29 n LYS 217 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3d29 n ASP 218 N -3.19 1.85 -3.97 3.14 10.43 -1.26 -4.98 116.55 118.58 3d29 n ASP 218 Ca 0.00 -3.59 -0.31 0.00 2.57 0.00 0.00 54.79 53.47 3d29 n ASP 218 Cb 0.03 -0.48 -0.15 0.00 1.84 0.00 0.00 41.12 42.36 3d29 n ASP 218 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3d29 s THR 219 N -2.87 1.81 0.36 -3.53 2.01 0.22 -5.11 115.64 108.52 3d29 s THR 219 Ca 0.38 -1.67 -0.27 0.00 0.31 0.00 0.00 61.69 60.44 3d29 s THR 219 Cb 0.38 -2.15 -0.10 0.00 0.01 0.00 0.00 72.50 70.64 3d29 s THR 219 CO -0.08 -0.30 1.27 -2.16 -0.69 0.00 0.00 174.62 172.66 3d29 s PRO 220 N 1.21 4.23 -0.39 4.92 0.04 -1.26 -1.16 135.00 142.59 3d29 s PRO 220 Ca 0.00 2.11 -0.43 0.00 0.04 0.00 0.00 61.00 62.73 3d29 s PRO 220 Cb -0.19 -2.94 -0.17 0.00 0.04 0.00 0.00 34.50 31.24 3d29 s PRO 220 CO -0.09 -0.26 1.73 0.34 0.04 0.00 0.00 177.00 178.76 3d29 n PHE 221 N 0.54 1.87 -4.18 0.56 -0.00 0.36 -4.75 117.46 111.86 3d29 n PHE 221 Ca 0.02 0.79 -0.17 0.00 -0.00 0.00 0.00 57.45 58.08 3d29 n PHE 221 Cb 0.43 -2.36 -0.15 0.00 -0.00 0.00 0.00 39.48 37.40 3d29 n PHE 221 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 3d29 s THR 222 N 3.65 0.46 0.01 -2.13 -4.23 -0.40 -4.95 115.64 108.04 3d29 s THR 222 Ca 1.03 -0.22 -0.05 0.00 -1.18 0.00 0.00 61.69 61.27 3d29 s THR 222 Cb -1.26 -0.41 -0.05 0.00 1.34 0.00 0.00 72.50 72.13 3d29 s THR 222 CO 0.72 0.14 0.25 -0.63 -0.54 0.00 0.00 174.62 174.56 3d29 s ILE 223 N 0.04 5.33 -0.09 2.99 -1.09 -1.26 -1.90 121.20 125.23 3d29 s ILE 223 Ca -0.00 0.08 0.02 0.00 -2.23 0.00 0.00 60.65 58.52 3d29 s ILE 223 Cb -0.04 -3.56 0.01 0.00 -1.58 0.00 0.00 42.46 37.29 3d29 s ILE 223 CO -0.00 0.34 -0.14 -0.31 -1.23 0.00 0.00 174.94 173.60 3d29 s TYR 224 N -1.32 1.71 0.05 3.97 2.02 0.24 -4.98 117.35 119.04 3d29 s TYR 224 Ca 0.28 -0.72 -0.02 0.00 -0.37 0.00 0.00 57.07 56.25 3d29 s TYR 224 Cb -0.13 -1.25 -0.04 0.00 -0.40 0.00 0.00 41.96 40.15 3d29 s TYR 224 CO 0.17 -0.37 -0.01 -0.51 -1.57 0.00 0.00 175.55 173.26 3d29 s ASP 225 N 0.82 0.44 0.72 2.29 1.01 -1.26 -1.77 116.67 118.92 3d29 s ASP 225 Ca -0.11 -0.95 0.00 0.00 0.71 0.00 0.00 52.55 52.21 3d29 s ASP 225 Cb -0.15 0.21 0.00 0.00 1.01 0.00 0.00 42.92 43.99 3d29 s ASP 225 CO 0.02 -0.60 0.00 0.61 0.21 0.00 0.00 175.17 175.40 3d29 n GLY 226 N 0.14 2.49 0.55 0.21 0.00 -1.02 -2.05 105.19 105.52 3d29 n GLY 226 Ca -0.14 -0.34 0.44 0.00 0.00 0.00 0.00 46.02 45.97 3d29 n GLY 226 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3d29 n GLU 227 N 13.79 -0.02 0.28 1.61 4.71 -1.26 0.94 120.64 140.69 3d29 n GLU 227 Ca 0.00 1.16 0.13 0.00 -0.01 0.00 0.00 57.16 58.44 3d29 n GLU 227 Cb 0.00 -2.42 0.80 0.00 -1.01 0.00 0.00 31.44 28.81 3d29 n GLU 227 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3d29 h ALA 228 N 1.32 1.43 -0.02 0.62 0.00 -1.78 -2.00 119.26 118.83 3d29 h ALA 228 Ca 0.88 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.73 3d29 h ALA 228 Cb 3.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.91 3d29 h ALA 228 CO -0.28 0.08 -0.14 1.33 0.00 0.00 0.00 179.25 180.24 3d29 n VAL 229 N -3.79 0.00 -0.16 0.00 0.24 0.27 -4.56 118.33 110.33 3d29 n VAL 229 Ca -0.02 -0.43 -0.03 0.00 -2.04 0.00 0.00 64.34 61.82 3d29 n VAL 229 Cb 0.16 1.37 0.05 0.00 -1.47 0.00 0.00 33.84 33.95 3d29 n VAL 229 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3d29 h ALA 230 N 3.86 0.40 0.00 2.33 0.00 -1.26 -0.72 119.26 123.87 3d29 h ALA 230 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3d29 h ALA 230 Cb 0.80 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3d29 h ALA 230 CO 0.00 -0.42 0.00 0.36 0.00 0.00 0.00 179.25 179.19 3d29 n LYS 231 N -5.30 0.14 0.00 0.00 0.00 -1.26 -1.76 118.16 109.98 3d29 n LYS 231 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 3d29 n LYS 231 Cb 0.27 -1.01 0.00 0.00 -0.00 0.00 0.00 35.03 34.29 3d29 n LYS 231 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3d29 n TYR 232 N -0.41 0.00 1.53 5.58 4.02 -0.28 -5.13 117.16 122.47 3d29 n TYR 232 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.03 3d29 n TYR 232 Cb 0.00 0.00 0.55 0.00 -0.02 0.00 0.00 39.34 39.87 3d29 n TYR 232 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96