#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 0.48 116.66 112.63 3d29 n ARG 5 Ca 0.00 1.25 0.19 0.00 -0.92 0.00 0.00 57.85 58.38 3d29 n ARG 5 Cb 0.00 -2.20 1.02 0.00 0.45 0.00 0.00 32.46 31.73 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 -0.76 115.58 118.05 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 1.84 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.89 3d29 h ASN 6 CO -0.72 0.00 -0.53 0.59 -1.29 0.00 0.00 177.43 175.48 3d29 n ASN 7 N -3.28 0.68 0.00 1.15 5.03 0.18 -4.28 115.26 114.73 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 0.19 0.34 0.00 0.00 -1.02 0.00 0.00 39.78 39.29 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 -1.35 0.00 -0.83 3.10 4.01 -0.35 -4.76 117.16 116.98 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 0.23 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 3.64 0.03 7.72 3.85 -0.86 -4.61 116.55 126.06 3d29 n ASP 9 Ca 0.00 -2.82 0.12 0.00 -0.71 0.00 0.00 54.79 51.38 3d29 n ASP 9 Cb 0.22 -0.48 0.50 0.00 -1.35 0.00 0.00 41.12 40.02 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 -0.35 -1.39 3.76 6.12 0.00 -1.26 -4.59 105.19 107.47 3d29 n GLY 10 Ca 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.33 -0.07 0.00 1.61 1.47 -1.26 -5.04 116.67 110.05 3d29 s ASP 11 Ca 0.11 -0.32 0.29 0.00 1.18 0.00 0.00 52.55 53.80 3d29 s ASP 11 Cb 0.15 0.32 1.24 0.00 -0.34 0.00 0.00 42.92 44.28 3d29 s ASP 11 CO 0.47 -0.60 1.85 0.41 0.68 0.00 0.00 175.17 177.98 3d29 n THR 12 N -0.58 0.00 -0.58 2.11 -1.04 -1.26 -3.72 114.28 109.20 3d29 n THR 12 Ca -0.05 -0.19 0.09 0.00 -2.04 0.00 0.00 64.05 61.85 3d29 n THR 12 Cb 0.61 0.27 0.36 0.00 -1.82 0.00 0.00 70.33 69.75 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 -0.09 1.92 -4.89 12.58 3.14 -1.26 -4.46 118.33 125.28 3d29 n VAL 13 Ca 0.20 -1.18 -0.29 0.00 -2.96 0.00 0.00 64.34 60.11 3d29 n VAL 13 Cb 0.30 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 -1.98 1.68 0.09 1.55 2.01 -1.24 -5.08 115.64 112.66 3d29 s THR 14 Ca 0.50 -0.79 -0.14 0.00 0.31 0.00 0.00 61.69 61.58 3d29 s THR 14 Cb 0.33 -1.48 -0.06 0.00 0.01 0.00 0.00 72.50 71.30 3d29 s THR 14 CO 0.23 0.48 0.49 -0.36 -0.69 0.00 0.00 174.62 174.76 3d29 s PHE 15 N 0.55 3.65 0.59 4.92 0.08 -1.26 -4.68 117.98 121.83 3d29 s PHE 15 Ca -0.15 1.01 -0.09 0.00 0.12 0.00 0.00 56.93 57.82 3d29 s PHE 15 Cb -0.17 -2.32 -0.03 0.00 -0.57 0.00 0.00 43.02 39.93 3d29 s PHE 15 CO 0.05 0.51 0.96 -1.54 -0.10 0.00 0.00 175.22 175.11 3d29 s SER 16 N -1.52 6.06 0.27 1.36 1.04 0.19 -4.91 113.70 116.19 3d29 s SER 16 Ca 0.33 1.17 0.13 0.00 0.48 0.00 0.00 55.95 58.06 3d29 s SER 16 Cb -0.16 -2.25 0.73 0.00 0.10 0.00 0.00 66.02 64.45 3d29 s SER 16 CO 0.18 -0.88 1.33 -2.65 0.98 0.00 0.00 173.24 172.20 3d29 n PRO 17 N -2.63 0.09 -0.15 4.02 -0.02 -1.26 -0.51 135.00 134.53 3d29 n PRO 17 Ca 0.04 0.56 0.09 0.00 -2.02 0.00 0.00 63.50 62.17 3d29 n PRO 17 Cb 0.55 -1.99 0.16 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 -2.00 0.53 -0.37 3.45 -2.24 -1.26 -4.96 114.28 107.41 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 0.21 0.91 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 1.06 0.79 3.95 3.38 0.00 0.33 -5.08 105.19 109.61 3d29 n GLY 19 Ca 0.15 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.69 3.48 -0.45 1.61 0.52 -1.25 -4.78 118.95 117.39 3d29 s ARG 20 Ca 0.00 -0.41 0.03 0.00 -0.52 0.00 0.00 55.73 54.83 3d29 s ARG 20 Cb 0.00 -2.71 0.12 0.00 0.52 0.00 0.00 34.95 32.88 3d29 s ARG 20 CO 0.00 0.21 0.20 -0.51 0.02 0.00 0.00 175.30 175.22 3d29 s LEU 21 N -4.20 3.76 0.21 2.53 1.43 -1.26 -0.64 118.68 120.51 3d29 s LEU 21 Ca 0.39 -2.64 -0.09 0.00 -1.03 0.00 0.00 54.13 50.76 3d29 s LEU 21 Cb -0.10 -1.40 0.17 0.00 0.03 0.00 0.00 46.19 44.89 3d29 s LEU 21 CO 0.34 -0.28 1.84 -0.26 0.23 0.00 0.00 176.35 178.22 3d29 h PHE 22 N 6.90 1.08 -0.72 0.29 0.04 -1.83 -1.36 116.94 121.34 3d29 h PHE 22 Ca -0.06 -0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.76 3d29 h PHE 22 Cb 0.93 -0.35 -0.05 0.00 2.20 0.00 0.00 35.95 38.69 3d29 h PHE 22 CO 0.48 0.75 0.47 1.96 -0.60 0.00 0.00 178.31 181.37 3d29 h GLN 23 N 1.10 0.70 -0.31 1.51 1.08 -1.81 0.94 115.11 118.33 3d29 h GLN 23 Ca 0.28 -0.04 -0.18 0.00 -1.45 0.00 0.00 58.65 57.26 3d29 h GLN 23 Cb 0.01 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.28 3d29 h GLN 23 CO -0.05 0.46 -0.51 0.28 -0.95 0.00 0.00 178.83 178.06 3d29 h VAL 24 N 0.72 1.27 -0.61 -0.54 2.07 -1.79 -1.79 116.25 115.59 3d29 h VAL 24 Ca 0.32 -1.69 -0.08 0.00 0.82 0.00 0.00 66.70 66.06 3d29 h VAL 24 Cb 0.31 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 3d29 h VAL 24 CO -0.11 0.56 0.05 -0.33 0.02 0.00 0.00 177.57 177.76 3d29 h GLU 25 N 0.69 1.04 -0.53 1.57 5.08 0.19 0.62 114.58 123.24 3d29 h GLU 25 Ca 0.02 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 58.01 3d29 h GLU 25 Cb 1.12 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 3d29 h GLU 25 CO 0.12 0.99 0.05 1.88 -1.00 0.00 0.00 179.01 181.05 3d29 h TYR 26 N 0.94 0.90 -0.09 4.33 0.05 0.87 -1.58 116.97 122.38 3d29 h TYR 26 Ca 0.18 -0.11 -0.00 0.00 0.05 0.00 0.00 58.73 58.84 3d29 h TYR 26 Cb 0.49 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 37.98 3d29 h TYR 26 CO 0.04 0.79 0.06 0.00 -1.05 0.00 0.00 178.16 178.00 3d29 h ALA 27 N 1.25 0.12 -0.45 3.88 0.00 -0.81 -1.53 119.26 121.72 3d29 h ALA 27 Ca 0.16 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.17 3d29 h ALA 27 Cb 0.41 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3d29 h ALA 27 CO 0.01 -0.36 0.40 -0.07 0.00 0.00 0.00 179.25 179.23 3d29 h LEU 28 N 0.08 0.00 -0.47 0.00 4.07 -0.14 0.06 115.31 118.91 3d29 h LEU 28 Ca 0.03 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.88 3d29 h LEU 28 Cb 0.04 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 3d29 h LEU 28 CO -0.01 0.00 -0.17 -0.08 -1.08 0.00 0.00 178.44 177.10 3d29 h GLU 29 N 0.00 0.94 -0.95 1.13 4.57 -0.34 -2.84 114.58 117.09 3d29 h GLU 29 Ca 0.21 -0.39 0.24 0.00 -1.18 0.00 0.00 59.36 58.24 3d29 h GLU 29 Cb 1.01 -0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 29.50 3d29 h GLU 29 CO -0.00 1.05 0.64 0.00 -1.18 0.00 0.00 179.01 179.51 3d29 h ALA 30 N 0.86 2.38 -0.25 2.92 0.00 -0.86 0.61 119.26 124.93 3d29 h ALA 30 Ca 0.11 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3d29 h ALA 30 Cb 0.74 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3d29 h ALA 30 CO 0.06 -0.69 -0.07 0.82 0.00 0.00 0.00 179.25 179.36 3d29 h ILE 31 N 0.30 1.29 0.00 0.00 5.03 -1.57 -2.83 117.51 119.72 3d29 h ILE 31 Ca 0.49 -1.10 -0.00 0.00 -0.12 0.00 0.00 64.86 64.13 3d29 h ILE 31 Cb 1.41 1.48 -0.00 0.00 -3.03 0.00 0.00 36.82 36.68 3d29 h ILE 31 CO -0.16 0.34 -0.01 0.11 -0.68 0.00 0.00 178.15 177.75 3d29 h LYS 32 N 0.24 0.00 -0.00 2.37 6.56 -0.89 0.93 116.57 125.77 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 0.55 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.21 3d29 h LYS 32 CO 0.03 0.01 -0.22 0.94 -2.06 0.00 0.00 179.45 178.15 3d29 n GLN 33 N -3.97 0.25 -2.23 3.15 7.27 -0.90 -2.46 117.38 118.50 3d29 n GLN 33 Ca -0.03 -0.10 -0.29 0.00 0.07 0.00 0.00 57.00 56.65 3d29 n GLN 33 Cb 0.10 -1.50 0.01 0.00 2.41 0.00 0.00 30.24 31.26 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 -2.81 1.59 0.50 1.69 0.00 0.32 -4.77 107.32 103.83 3d29 s GLY 34 Ca 0.18 -0.36 -0.23 0.00 0.00 0.00 0.00 44.72 44.31 3d29 s GLY 34 CO 0.57 -0.12 1.30 -0.45 0.00 0.00 0.00 173.10 174.40 3d29 s SER 35 N -4.20 5.71 0.49 1.64 0.15 -1.26 0.26 113.70 116.48 3d29 s SER 35 Ca 0.53 2.62 -0.22 0.00 0.70 0.00 0.00 55.95 59.57 3d29 s SER 35 Cb -0.11 -2.63 -0.07 0.00 -1.71 0.00 0.00 66.02 61.51 3d29 s SER 35 CO 0.49 -1.26 1.20 0.54 1.20 0.00 0.00 173.24 175.41 3d29 s VAL 36 N -1.37 2.91 -0.10 4.45 0.11 -1.26 -4.53 120.40 120.61 3d29 s VAL 36 Ca 0.67 0.67 -0.10 0.00 -2.93 0.00 0.00 61.98 60.29 3d29 s VAL 36 Cb -0.37 -3.33 0.03 0.00 -1.53 0.00 0.00 36.38 31.18 3d29 s VAL 36 CO 0.44 -0.02 0.28 0.28 -3.33 0.00 0.00 175.10 172.75 3d29 s THR 37 N -1.52 0.00 0.16 5.04 -1.32 -0.72 -1.51 115.64 115.77 3d29 s THR 37 Ca 0.66 -0.00 0.10 0.00 -1.21 0.00 0.00 61.69 61.24 3d29 s THR 37 Cb -0.30 -0.39 -0.04 0.00 -1.51 0.00 0.00 72.50 70.25 3d29 s THR 37 CO 0.36 -0.00 -0.21 -0.69 -2.21 0.00 0.00 174.62 171.87 3d29 s VAL 38 N 0.14 2.61 -0.05 5.08 1.01 0.28 -1.99 120.40 127.47 3d29 s VAL 38 Ca -0.00 -1.77 -0.04 0.00 0.00 0.00 0.00 61.98 60.17 3d29 s VAL 38 Cb -0.02 -2.22 0.02 0.00 0.00 0.00 0.00 36.38 34.16 3d29 s VAL 38 CO 0.00 -0.01 0.12 -0.83 0.00 0.00 0.00 175.10 174.38 3d29 s GLY 39 N -2.43 -0.07 0.18 4.51 0.00 -0.12 -0.61 107.32 108.79 3d29 s GLY 39 Ca 0.19 0.42 -0.19 0.00 0.00 0.00 0.00 44.72 45.14 3d29 s GLY 39 CO 0.10 0.48 0.54 0.48 0.00 0.00 0.00 173.10 174.70 3d29 s LEU 40 N 0.38 -0.07 0.12 0.66 2.34 -0.60 -0.12 118.68 121.40 3d29 s LEU 40 Ca -0.03 -0.33 -0.17 0.00 0.06 0.00 0.00 54.13 53.66 3d29 s LEU 40 Cb -0.04 2.26 0.04 0.00 -0.56 0.00 0.00 46.19 47.89 3d29 s LEU 40 CO -0.02 -1.02 0.43 0.00 -1.06 0.00 0.00 176.35 174.69 3d29 s ARG 41 N -3.83 1.08 0.00 1.48 1.70 -0.32 -0.16 118.95 118.90 3d29 s ARG 41 Ca 0.06 -0.64 0.00 0.00 -0.47 0.00 0.00 55.73 54.68 3d29 s ARG 41 Cb -0.01 0.48 0.00 0.00 -0.57 0.00 0.00 34.95 34.85 3d29 s ARG 41 CO -0.06 -0.43 0.00 -1.13 -1.08 0.00 0.00 175.30 172.60 3d29 n SER 42 N -0.18 0.11 -0.07 -2.89 3.41 0.41 -4.23 113.62 110.18 3d29 n SER 42 Ca -0.16 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.55 3d29 n SER 42 Cb 0.64 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.53 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 -4.40 115.26 117.77 3d29 n ASN 43 Ca 0.00 -0.99 0.02 0.00 -0.03 0.00 0.00 54.58 53.59 3d29 n ASN 43 Cb 0.00 0.84 -0.04 0.00 -0.61 0.00 0.00 39.78 39.97 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 -1.29 0.00 -3.96 3.41 -2.24 -1.26 -4.21 114.28 104.73 3d29 n THR 44 Ca 0.05 -0.12 -0.09 0.00 -2.27 0.00 0.00 64.05 61.63 3d29 n THR 44 Cb 0.35 0.40 -0.08 0.00 -2.10 0.00 0.00 70.33 68.90 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 0.36 -0.02 4.78 3.76 -1.26 -1.95 115.29 118.63 3d29 s HIS 45 Ca -0.02 -0.80 0.02 0.00 -0.15 0.00 0.00 55.06 54.11 3d29 s HIS 45 Cb 0.03 -0.18 0.01 0.00 1.11 0.00 0.00 32.58 33.55 3d29 s HIS 45 CO 0.20 -0.54 -0.06 0.00 -0.85 0.00 0.00 174.74 173.49 3d29 s ALA 46 N -3.92 0.66 0.07 -1.40 0.00 -0.25 -0.44 121.76 116.49 3d29 s ALA 46 Ca 0.10 -0.21 0.06 0.00 0.00 0.00 0.00 51.96 51.91 3d29 s ALA 46 Cb 0.06 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 3d29 s ALA 46 CO -0.07 0.09 -0.15 0.08 0.00 0.00 0.00 175.76 175.70 3d29 s VAL 47 N 0.31 1.20 -0.03 0.00 1.01 0.77 -1.78 120.40 121.89 3d29 s VAL 47 Ca -0.04 -1.32 0.05 0.00 0.00 0.00 0.00 61.98 60.67 3d29 s VAL 47 Cb -0.08 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 35.15 3d29 s VAL 47 CO 0.00 -0.18 -0.18 -0.76 0.00 0.00 0.00 175.10 173.98 3d29 s LEU 48 N -1.72 1.99 -0.04 3.92 1.43 -0.18 -1.56 118.68 122.53 3d29 s LEU 48 Ca -0.01 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 3d29 s LEU 48 Cb -0.10 -0.96 0.02 0.00 0.03 0.00 0.00 46.19 45.18 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 -0.25 0.60 0.04 -1.59 1.01 0.22 -0.91 120.40 119.53 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 -0.09 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.68 3d29 s VAL 49 CO 0.00 0.22 -0.08 0.00 0.00 0.00 0.00 175.10 175.25 3d29 s ALA 50 N 0.65 0.59 -0.36 5.51 0.00 0.11 0.99 121.76 129.25 3d29 s ALA 50 Ca -0.09 -0.68 -0.15 0.00 0.00 0.00 0.00 51.96 51.04 3d29 s ALA 50 Cb -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 3d29 s ALA 50 CO 0.01 0.02 0.33 -1.17 0.00 0.00 0.00 175.76 174.94 3d29 s LEU 51 N -1.32 4.58 -0.04 0.00 2.96 -0.57 -1.66 118.68 122.64 3d29 s LEU 51 Ca -0.07 -0.40 -0.25 0.00 -0.22 0.00 0.00 54.13 53.18 3d29 s LEU 51 Cb -0.09 -2.26 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 3d29 s LEU 51 CO 0.00 -0.34 0.77 -0.54 -1.32 0.00 0.00 176.35 174.92 3d29 s LYS 52 N 1.90 4.47 0.07 1.98 1.02 -0.25 -4.55 119.74 124.38 3d29 s LYS 52 Ca 0.09 1.03 -0.02 0.00 0.02 0.00 0.00 55.97 57.09 3d29 s LYS 52 Cb -0.17 -3.44 -0.04 0.00 -0.52 0.00 0.00 37.83 33.65 3d29 s LYS 52 CO 0.11 0.06 0.26 0.50 -0.92 0.00 0.00 175.35 175.36 3d29 s ARG 53 N 0.76 3.50 0.25 1.68 3.52 -1.26 -4.83 118.95 122.56 3d29 s ARG 53 Ca 0.41 -0.30 0.09 0.00 -0.13 0.00 0.00 55.73 55.79 3d29 s ARG 53 Cb -0.19 -3.00 -0.05 0.00 -1.56 0.00 0.00 34.95 30.15 3d29 s ARG 53 CO 0.21 0.58 -0.14 0.54 -0.81 0.00 0.00 175.30 175.68 3d29 s ASN 54 N -2.36 2.94 -0.05 -2.12 4.22 -1.26 -2.25 114.94 114.05 3d29 s ASN 54 Ca 0.35 -1.06 -0.02 0.00 -2.14 0.00 0.00 52.86 49.99 3d29 s ASN 54 Cb -0.13 -0.20 -0.01 0.00 1.28 0.00 0.00 41.25 42.20 3d29 s ASN 54 CO 0.25 -0.15 -0.03 0.00 -2.04 0.00 0.00 177.10 175.13 3d29 h ALA 55 N 2.40 0.00 -4.47 3.54 0.00 -1.89 -3.49 119.26 115.36 3d29 h ALA 55 Ca -0.39 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.20 3d29 h ALA 55 Cb 1.23 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 3d29 h ALA 55 CO 0.63 0.09 -0.10 -0.25 0.00 0.00 0.00 179.25 179.62 3d29 n ASP 56 N -3.34 1.78 -1.19 0.00 9.92 -1.26 -4.99 116.55 117.48 3d29 n ASP 56 Ca -0.01 -1.58 0.11 0.00 -0.53 0.00 0.00 54.79 52.78 3d29 n ASP 56 Cb 0.05 0.02 0.28 0.00 -0.64 0.00 0.00 41.12 40.83 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 -0.72 2.51 -0.00 -1.24 4.71 -1.26 -3.43 120.64 121.21 3d29 n GLU 57 Ca -0.02 -2.33 0.06 0.00 -0.01 0.00 0.00 57.16 54.86 3d29 n GLU 57 Cb 0.18 -1.52 -0.08 0.00 -1.01 0.00 0.00 31.44 29.02 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 1.43 0.49 -5.01 -4.62 4.32 -1.26 -5.01 117.00 107.35 3d29 n LEU 58 Ca 0.21 -0.40 -0.21 0.00 -0.02 0.00 0.00 56.01 55.59 3d29 n LEU 58 Cb 0.57 0.00 0.07 0.00 -1.62 0.00 0.00 43.42 42.44 3d29 n LEU 58 CO 0.15 0.12 0.40 -0.94 -1.22 0.00 0.00 177.39 175.91 3d29 s SER 59 N -2.49 4.90 0.53 -1.43 1.04 -1.22 -5.12 113.70 109.91 3d29 s SER 59 Ca 0.03 -0.47 0.03 0.00 0.48 0.00 0.00 55.95 56.02 3d29 s SER 59 Cb 0.10 -0.13 0.04 0.00 0.10 0.00 0.00 66.02 66.13 3d29 s SER 59 CO 0.54 -1.44 0.74 -0.94 0.98 0.00 0.00 173.24 173.11 3d29 s SER 60 N -4.62 5.30 -0.29 7.02 1.04 -1.26 -4.82 113.70 116.07 3d29 s SER 60 Ca 0.62 -0.20 -0.13 0.00 0.48 0.00 0.00 55.95 56.72 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 -1.10 0.29 -0.31 0.98 0.00 0.00 173.24 173.49 3d29 s TYR 63 N -2.67 3.23 0.20 5.02 1.51 -1.26 -4.16 117.35 119.21 3d29 s TYR 63 Ca 0.58 0.16 -0.31 0.00 -1.01 0.00 0.00 57.07 56.48 3d29 s TYR 63 Cb -0.10 -2.50 -0.10 0.00 -0.11 0.00 0.00 41.96 39.15 3d29 s TYR 63 CO 0.37 -0.25 1.57 -1.14 -1.11 0.00 0.00 175.55 174.99 3d29 s GLN 64 N 1.90 4.20 0.36 -0.62 0.74 -0.95 -4.92 119.66 120.37 3d29 s GLN 64 Ca 0.10 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 1.52 0.36 -0.55 0.00 0.00 175.29 176.13 3d29 n LYS 65 N 3.46 2.70 -0.00 1.67 2.85 -1.26 -4.46 118.16 123.12 3d29 n LYS 65 Ca 0.12 0.95 0.03 0.00 -1.05 0.00 0.00 58.31 58.36 3d29 n LYS 65 Cb 0.38 -2.70 -0.04 0.00 -0.65 0.00 0.00 35.03 32.02 3d29 n LYS 65 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3d29 n LYS 66 N 0.79 3.22 -4.96 -1.58 4.76 -1.26 -4.99 118.16 114.14 3d29 n LYS 66 Ca 0.03 -0.02 -0.32 0.00 -2.87 0.00 0.00 58.31 55.12 3d29 n LYS 66 Cb 0.39 -0.93 -0.14 0.00 -1.84 0.00 0.00 35.03 32.51 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 -1.91 2.83 -0.06 -0.18 1.01 -1.26 -0.94 121.20 120.70 3d29 s ILE 67 Ca 0.01 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.88 3d29 s ILE 67 Cb 0.05 -2.11 0.02 0.00 0.01 0.00 0.00 42.46 40.43 3d29 s ILE 67 CO 0.27 0.57 -0.10 -0.63 0.00 0.00 0.00 174.94 175.05 3d29 s ILE 68 N -0.40 0.93 0.02 2.92 1.01 -0.08 -5.01 121.20 120.60 3d29 s ILE 68 Ca 0.04 -0.36 -0.25 0.00 0.00 0.00 0.00 60.65 60.07 3d29 s ILE 68 Cb -0.12 -0.87 -0.05 0.00 0.01 0.00 0.00 42.46 41.43 3d29 s ILE 68 CO 0.02 0.31 0.78 -0.75 0.00 0.00 0.00 174.94 175.30 3d29 s LYS 69 N 0.70 4.50 -0.07 2.79 2.20 -1.26 -1.04 119.74 127.54 3d29 s LYS 69 Ca -0.13 1.07 0.12 0.00 -0.36 0.00 0.00 55.97 56.67 3d29 s LYS 69 Cb -0.15 -3.39 -0.18 0.00 -1.51 0.00 0.00 37.83 32.61 3d29 s LYS 69 CO 0.02 0.21 0.15 0.00 -0.36 0.00 0.00 175.35 175.37 3d29 s ASP 71 N -4.06 -0.08 0.57 0.00 3.68 -0.56 -4.42 116.67 111.80 3d29 s ASP 71 Ca -0.05 -0.34 0.27 0.00 2.13 0.00 0.00 52.55 54.55 3d29 s ASP 71 Cb 0.06 0.33 1.63 0.00 -1.45 0.00 0.00 42.92 43.49 3d29 s ASP 71 CO 0.52 -0.63 2.16 -0.33 0.13 0.00 0.00 175.17 177.02 3d29 h GLU 72 N 2.00 0.00 -0.17 4.34 4.39 -1.97 -2.36 114.58 120.80 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 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 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 -3.99 0.23 -3.83 4.33 1.44 -1.26 -0.41 115.22 111.72 3d29 n HIS 73 Ca -0.00 -0.32 -0.12 0.00 -2.01 0.00 0.00 57.72 55.27 3d29 n HIS 73 Cb 0.21 -0.02 -0.09 0.00 0.12 0.00 0.00 29.99 30.21 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 -0.90 0.58 0.10 -1.40 -2.45 -0.89 -1.49 119.30 112.86 3d29 s MET 74 Ca 0.15 -0.38 -0.26 0.00 -1.25 0.00 0.00 55.69 53.95 3d29 s MET 74 Cb 0.08 0.25 0.09 0.00 1.25 0.00 0.00 34.83 36.50 3d29 s MET 74 CO 0.12 -0.15 1.11 0.20 1.05 0.00 0.00 175.02 177.34 3d29 s GLY 75 N -1.51 -0.13 0.24 2.11 0.00 -0.93 -1.05 107.32 106.05 3d29 s GLY 75 Ca -0.13 0.07 -0.14 0.00 0.00 0.00 0.00 44.72 44.53 3d29 s GLY 75 CO 0.01 1.64 0.48 0.48 0.00 0.00 0.00 173.10 175.72 3d29 s LEU 76 N -3.23 0.30 0.11 0.66 2.34 -0.21 -1.70 118.68 116.95 3d29 s LEU 76 Ca 0.18 -0.86 0.09 0.00 0.06 0.00 0.00 54.13 53.60 3d29 s LEU 76 Cb -0.00 1.82 -0.04 0.00 -0.56 0.00 0.00 46.19 47.42 3d29 s LEU 76 CO 0.02 -1.13 -0.22 -0.94 -1.06 0.00 0.00 176.35 173.02 3d29 s SER 77 N -2.99 2.69 0.28 1.48 1.04 -0.04 -0.90 113.70 115.25 3d29 s SER 77 Ca 0.20 -0.70 0.11 0.00 0.48 0.00 0.00 55.95 56.04 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 0.07 0.08 -0.17 -1.48 0.98 0.00 0.00 173.24 172.72 3d29 s LEU 78 N -1.94 2.60 -0.18 2.42 0.05 -0.11 -1.16 118.68 120.36 3d29 s LEU 78 Ca 0.08 -1.06 -0.05 0.00 0.05 0.00 0.00 54.13 53.15 3d29 s LEU 78 Cb -0.10 -1.00 0.09 0.00 -2.05 0.00 0.00 46.19 43.13 3d29 s LEU 78 CO 0.05 -0.04 0.31 0.00 -0.55 0.00 0.00 176.35 176.11 3d29 s ALA 79 N -2.62 -0.74 0.00 1.48 0.00 -0.79 -4.90 121.76 114.19 3d29 s ALA 79 Ca 0.29 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.19 3d29 s ALA 79 Cb -0.03 -1.26 0.00 0.00 0.00 0.00 0.00 23.12 21.83 3d29 s ALA 79 CO 0.14 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.43 3d29 n GLY 80 N 5.36 0.34 3.60 0.00 0.00 -1.26 -0.21 105.19 113.01 3d29 n GLY 80 Ca -0.06 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 43.70 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 0.20 0.99 1.43 0.80 -4.89 118.68 120.67 3d29 s LEU 81 Ca 0.00 1.58 -0.11 0.00 -1.03 0.00 0.00 54.13 54.57 3d29 s LEU 81 Cb 0.00 -3.48 0.24 0.00 0.03 0.00 0.00 46.19 42.98 3d29 s LEU 81 CO 0.00 -1.87 1.72 0.00 0.23 0.00 0.00 176.35 176.43 3d29 h ALA 82 N 14.16 0.65 -0.56 4.21 0.00 -1.95 -2.36 119.26 133.41 3d29 h ALA 82 Ca -0.37 0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.74 3d29 h ALA 82 Cb 1.21 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 19.06 3d29 h ALA 82 CO 1.00 -0.28 0.18 -1.35 0.00 0.00 0.00 179.25 178.80 3d29 h PRO 83 N 0.28 0.33 0.00 0.00 0.11 -1.99 -0.74 132.00 130.00 3d29 h PRO 83 Ca 0.28 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.37 3d29 h PRO 83 Cb 0.38 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.42 3d29 h PRO 83 CO -0.34 0.22 -0.01 -0.44 -0.21 0.00 0.00 178.00 177.22 3d29 h ASP 84 N 0.34 0.00 0.18 -2.05 3.45 -1.81 -0.77 116.42 115.76 3d29 h ASP 84 Ca 0.28 0.00 -0.18 0.00 0.43 0.00 0.00 57.03 57.56 3d29 h ASP 84 Cb 0.36 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.12 3d29 h ASP 84 CO -0.31 0.01 -0.71 0.00 -1.57 0.00 0.00 179.24 176.66 3d29 h ALA 85 N 1.99 0.58 -0.60 3.45 0.00 -0.96 -1.06 119.26 122.66 3d29 h ALA 85 Ca -0.00 -0.59 -0.09 0.00 0.00 0.00 0.00 54.91 54.23 3d29 h ALA 85 Cb 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3d29 h ALA 85 CO 0.00 0.74 0.02 -0.09 0.00 0.00 0.00 179.25 179.93 3d29 h ARG 86 N 0.32 1.05 -0.01 0.00 2.43 -0.53 0.26 114.38 117.90 3d29 h ARG 86 Ca -0.03 -0.32 -0.00 0.00 -0.81 0.00 0.00 59.98 58.82 3d29 h ARG 86 Cb 1.28 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.73 3d29 h ARG 86 CO 0.13 1.02 0.00 0.28 -1.51 0.00 0.00 179.97 179.89 3d29 h VAL 87 N 0.95 1.21 -0.45 0.20 2.07 -1.12 -1.45 116.25 117.66 3d29 h VAL 87 Ca 0.17 -0.61 -0.11 0.00 0.82 0.00 0.00 66.70 66.97 3d29 h VAL 87 Cb 0.53 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 3d29 h VAL 87 CO 0.03 0.16 -0.18 -0.07 0.02 0.00 0.00 177.57 177.53 3d29 h LEU 88 N -0.24 0.88 -0.62 2.57 3.38 -1.06 -2.00 115.31 118.23 3d29 h LEU 88 Ca 0.00 -0.30 -0.15 0.00 0.09 0.00 0.00 57.88 57.52 3d29 h LEU 88 Cb 0.26 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3d29 h LEU 88 CO 0.00 1.04 -0.61 0.77 0.09 0.00 0.00 178.44 179.73 3d29 h SER 89 N 0.77 0.32 0.06 -0.43 4.64 -0.50 -1.01 113.55 117.40 3d29 h SER 89 Ca 0.11 -0.18 -0.10 0.00 -0.47 0.00 0.00 61.79 61.14 3d29 h SER 89 Cb 0.71 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 3d29 h SER 89 CO 0.05 0.85 -0.33 -1.13 -0.87 0.00 0.00 176.83 175.40 3d29 h ASN 90 N 0.21 0.40 0.46 4.97 -0.73 -1.14 0.12 115.58 119.86 3d29 h ASN 90 Ca -0.01 -0.15 -0.16 0.00 1.87 0.00 0.00 56.30 57.85 3d29 h ASN 90 Cb 1.13 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 39.59 3d29 h ASN 90 CO 0.10 0.71 -0.70 0.22 -0.37 0.00 0.00 177.43 177.39 3d29 h TYR 91 N 0.33 0.28 -0.13 0.67 5.03 -1.09 -2.06 116.97 120.00 3d29 h TYR 91 Ca 0.04 -0.12 -0.15 0.00 2.58 0.00 0.00 58.73 61.08 3d29 h TYR 91 Cb 0.75 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.98 3d29 h TYR 91 CO 0.02 0.84 -0.54 1.25 -1.32 0.00 0.00 178.16 178.41 3d29 h LEU 92 N 0.14 0.43 -0.47 2.82 5.85 -0.61 -1.93 115.31 121.55 3d29 h LEU 92 Ca -0.02 -0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.42 3d29 h LEU 92 Cb 1.25 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 3d29 h LEU 92 CO 0.11 0.89 0.07 0.03 -0.34 0.00 0.00 178.44 179.20 3d29 h ARG 93 N 0.30 0.78 -0.68 1.25 3.08 -0.57 -1.47 114.38 117.07 3d29 h ARG 93 Ca 0.01 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 59.82 3d29 h ARG 93 Cb 1.05 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.97 3d29 h ARG 93 CO 0.09 0.80 0.32 1.96 -1.07 0.00 0.00 179.97 182.07 3d29 h GLN 94 N 0.65 0.99 -0.47 0.04 4.20 -1.20 -0.17 115.11 119.16 3d29 h GLN 94 Ca 0.14 -0.15 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 3d29 h GLN 94 Cb 0.40 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 3d29 h GLN 94 CO 0.01 0.79 -0.04 1.96 -0.67 0.00 0.00 178.83 180.88 3d29 h GLN 95 N 0.95 0.79 -0.36 1.46 1.08 -1.21 0.59 115.11 118.42 3d29 h GLN 95 Ca 0.23 -0.23 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 3d29 h GLN 95 Cb 0.13 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 3d29 h GLN 95 CO -0.03 0.82 -0.02 0.00 -0.95 0.00 0.00 178.83 178.66 3d29 h ASN 97 N 0.45 0.22 -0.84 0.00 -0.00 -0.79 -2.56 115.58 112.06 3d29 h ASN 97 Ca 0.10 -0.01 -0.01 0.00 -0.00 0.00 0.00 56.30 56.38 3d29 h ASN 97 Cb 0.49 -0.06 -0.04 0.00 -0.00 0.00 0.00 38.32 38.71 3d29 h ASN 97 CO 0.02 0.16 0.49 0.22 -0.00 0.00 0.00 177.43 178.33 3d29 h TYR 98 N 0.26 1.12 -0.94 0.67 3.20 -0.81 -0.19 116.97 120.29 3d29 h TYR 98 Ca 0.07 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.94 3d29 h TYR 98 Cb -0.03 -0.37 -0.05 0.00 1.54 0.00 0.00 36.73 37.83 3d29 h TYR 98 CO -0.06 0.76 0.62 1.03 -1.64 0.00 0.00 178.16 178.87 3d29 h SER 99 N 1.16 1.07 0.44 -2.11 0.87 -1.18 -1.04 113.55 112.77 3d29 h SER 99 Ca 0.30 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.81 3d29 h SER 99 Cb -0.02 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.68 3d29 h SER 99 CO -0.05 0.77 -0.21 0.28 -0.53 0.00 0.00 176.83 177.08 3d29 h SER 100 N 1.26 -0.51 -0.36 6.23 0.02 -1.01 -1.37 113.55 117.82 3d29 h SER 100 Ca 0.35 -0.06 0.07 0.00 -0.84 0.00 0.00 61.79 61.31 3d29 h SER 100 Cb -0.14 0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.47 3d29 h SER 100 CO -0.08 -0.08 -0.05 -0.07 -1.14 0.00 0.00 176.83 175.41 3d29 h LEU 101 N -1.08 -0.25 0.23 5.07 3.38 -1.02 0.71 115.31 122.35 3d29 h LEU 101 Ca -0.06 0.10 -0.33 0.00 0.09 0.00 0.00 57.88 57.68 3d29 h LEU 101 Cb 0.53 0.19 0.03 0.00 0.09 0.00 0.00 40.66 41.50 3d29 h LEU 101 CO 0.10 -0.09 -1.47 0.58 0.09 0.00 0.00 178.44 177.65 3d29 h VAL 102 N 0.04 1.28 -0.01 1.22 2.07 -1.31 -3.39 116.25 116.16 3d29 h VAL 102 Ca 0.17 -2.74 0.00 0.00 0.82 0.00 0.00 66.70 64.95 3d29 h VAL 102 Cb 0.26 3.01 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 3d29 h VAL 102 CO -0.34 0.83 -0.08 0.49 0.02 0.00 0.00 177.57 178.49 3d29 n PHE 103 N -3.68 0.00 -3.71 1.57 3.01 -0.54 -4.99 117.46 109.12 3d29 n PHE 103 Ca -0.16 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.07 3d29 n PHE 103 Cb 1.09 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 40.60 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 -0.07 -1.98 -3.88 4.37 4.05 0.25 -4.96 115.26 113.03 3d29 n ASN 104 Ca 0.03 -0.79 -0.16 0.00 0.45 0.00 0.00 54.58 54.11 3d29 n ASN 104 Cb 0.14 -4.14 -0.15 0.00 1.23 0.00 0.00 39.78 36.86 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 -6.05 0.39 0.01 1.20 3.52 -1.07 -4.97 118.95 111.98 3d29 s ARG 105 Ca 0.13 -0.05 -0.30 0.00 -0.13 0.00 0.00 55.73 55.38 3d29 s ARG 105 Cb -0.06 -0.46 -0.03 0.00 -1.56 0.00 0.00 34.95 32.84 3d29 s ARG 105 CO 0.81 -0.03 1.01 0.15 -0.81 0.00 0.00 175.30 176.43 3d29 s LYS 106 N 0.51 4.54 0.08 5.12 1.02 -1.26 -2.77 119.74 126.98 3d29 s LYS 106 Ca -0.05 1.47 -0.31 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 -0.07 1.79 -1.17 -0.92 0.00 0.00 175.35 174.97 3d29 s LEU 107 N 0.99 4.39 0.36 3.17 2.96 -1.26 -4.95 118.68 124.33 3d29 s LEU 107 Ca 0.53 2.62 -0.27 0.00 -0.22 0.00 0.00 54.13 56.79 3d29 s LEU 107 Cb -0.22 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.82 3d29 s LEU 107 CO 0.28 -0.97 1.25 0.00 -1.32 0.00 0.00 176.35 175.59 3d29 s ALA 108 N 3.14 3.37 0.26 5.97 0.00 -1.26 -4.88 121.76 128.35 3d29 s ALA 108 Ca 0.80 1.15 -0.03 0.00 0.00 0.00 0.00 51.96 53.88 3d29 s ALA 108 Cb -0.43 -3.44 0.44 0.00 0.00 0.00 0.00 23.12 19.69 3d29 s ALA 108 CO 0.36 -0.60 1.83 0.28 0.00 0.00 0.00 175.76 177.63 3d29 h VAL 109 N 2.78 0.95 -0.23 0.00 2.07 -1.94 -0.31 116.25 119.56 3d29 h VAL 109 Ca -0.49 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 3d29 h VAL 109 Cb 1.23 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3d29 h VAL 109 CO 0.64 0.17 0.08 -0.08 0.02 0.00 0.00 177.57 178.41 3d29 h GLU 110 N 0.93 0.32 -0.03 1.57 4.81 -2.00 -1.31 114.58 118.87 3d29 h GLU 110 Ca 0.43 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.45 3d29 h GLU 110 Cb 0.35 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.68 3d29 h GLU 110 CO -0.23 0.28 -0.67 -0.09 -0.73 0.00 0.00 179.01 177.57 3d29 h ARG 111 N 0.32 0.50 -0.93 1.92 2.43 -1.48 -2.62 114.38 114.52 3d29 h ARG 111 Ca 0.08 -0.50 0.14 0.00 -0.81 0.00 0.00 59.98 58.88 3d29 h ARG 111 Cb 0.09 0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 29.69 3d29 h ARG 111 CO -0.01 1.14 0.60 0.00 -1.51 0.00 0.00 179.97 180.19 3d29 h ALA 112 N 0.38 1.71 -0.40 2.80 0.00 -0.77 0.62 119.26 123.60 3d29 h ALA 112 Ca -0.08 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3d29 h ALA 112 Cb 1.35 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3d29 h ALA 112 CO 0.13 0.04 0.10 0.78 0.00 0.00 0.00 179.25 180.30 3d29 h GLY 113 N 0.81 0.68 1.04 0.00 0.00 -1.15 -0.77 103.07 103.67 3d29 h GLY 113 Ca 0.47 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 3d29 h GLY 113 CO -0.23 0.40 0.19 0.45 0.00 0.00 0.00 176.54 177.34 3d29 h HIS 114 N 0.50 1.09 -0.41 5.60 -0.00 -0.69 -0.72 115.15 120.52 3d29 h HIS 114 Ca 0.12 -0.12 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 3d29 h HIS 114 Cb 0.31 -0.31 -0.02 0.00 -0.00 0.00 0.00 27.41 27.39 3d29 h HIS 114 CO 0.02 0.89 0.16 -0.07 -0.00 0.00 0.00 177.93 178.93 3d29 h LEU 115 N 0.97 0.56 -0.43 2.43 3.38 -0.76 -1.38 115.31 120.09 3d29 h LEU 115 Ca 0.21 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3d29 h LEU 115 Cb 0.33 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3d29 h LEU 115 CO -0.00 0.58 0.25 -0.07 0.09 0.00 0.00 178.44 179.29 3d29 h LEU 116 N 0.52 0.52 -0.23 1.67 3.38 -0.92 -1.61 115.31 118.65 3d29 h LEU 116 Ca 0.14 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.08 3d29 h LEU 116 Cb 0.19 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3d29 h LEU 116 CO -0.01 0.44 -0.04 0.00 0.09 0.00 0.00 178.44 178.92 3d29 h ASP 118 N 0.02 0.11 -0.14 0.00 3.32 -0.98 -0.50 116.42 118.26 3d29 h ASP 118 Ca 0.11 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 3d29 h ASP 118 Cb 0.16 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 3d29 h ASP 118 CO -0.22 0.30 -0.15 0.50 -1.72 0.00 0.00 179.24 177.95 3d29 h LYS 119 N 0.11 0.34 -0.67 3.56 3.64 -0.67 -2.90 116.57 119.99 3d29 h LYS 119 Ca 0.02 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 3d29 h LYS 119 Cb 0.38 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 3d29 h LYS 119 CO 0.03 0.74 0.38 0.00 -2.27 0.00 0.00 179.45 178.33 3d29 h ALA 120 N 0.59 0.86 -0.73 5.00 0.00 -0.94 -3.01 119.26 121.04 3d29 h ALA 120 Ca 0.02 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.92 3d29 h ALA 120 Cb 0.69 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 3d29 h ALA 120 CO 0.04 0.36 0.38 0.37 0.00 0.00 0.00 179.25 180.39 3d29 h GLN 121 N 0.91 0.63 -0.06 0.00 -0.00 -1.03 -1.89 115.11 113.68 3d29 h GLN 121 Ca 0.24 -0.04 0.02 0.00 -0.00 0.00 0.00 58.65 58.87 3d29 h GLN 121 Cb 0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 27.48 27.35 3d29 h GLN 121 CO -0.04 0.42 0.22 0.87 0.00 0.00 0.00 178.83 180.30 3d29 h LYS 122 N 0.65 0.00 -0.71 1.69 1.57 -1.36 -0.72 116.57 117.69 3d29 h LYS 122 Ca 0.35 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.03 3d29 h LYS 122 Cb 0.34 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.59 3d29 h LYS 122 CO -0.25 0.00 0.13 0.09 -0.57 0.00 0.00 179.45 178.85 3d29 n ASN 123 N -3.18 4.92 0.00 0.86 3.02 -0.71 -4.05 115.26 116.13 3d29 n ASN 123 Ca -0.01 -2.97 0.00 0.00 -0.03 0.00 0.00 54.58 51.57 3d29 n ASN 123 Cb 0.29 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.77 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 0.22 0.24 -0.16 3.41 -2.24 -0.28 -3.36 114.28 112.12 3d29 n THR 124 Ca 0.31 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 3d29 n THR 124 Cb 1.21 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 70.53 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 -0.12 2.07 -4.62 -0.78 7.27 -1.25 -4.64 117.38 115.31 3d29 n GLN 125 Ca 0.00 -0.06 -0.30 0.00 0.07 0.00 0.00 57.00 56.71 3d29 n GLN 125 Cb 0.32 -0.35 -0.13 0.00 2.41 0.00 0.00 30.24 32.49 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 3.76 0.60 1.69 0.01 -1.26 -4.88 113.70 113.31 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 -0.57 -0.03 0.00 0.21 0.00 0.00 66.02 65.62 3d29 s SER 126 CO 0.00 0.24 1.21 -0.47 0.41 0.00 0.00 173.24 174.64 3d29 s TYR 127 N -0.95 2.36 0.00 2.43 5.04 -1.26 -3.45 117.35 121.52 3d29 s TYR 127 Ca 0.15 1.51 0.00 0.00 -2.44 0.00 0.00 57.07 56.29 3d29 s TYR 127 Cb -0.10 -3.50 0.00 0.00 0.35 0.00 0.00 41.96 38.70 3d29 s TYR 127 CO 0.06 -2.27 0.00 0.41 -1.34 0.00 0.00 175.55 172.40 3d29 n GLY 128 N 0.54 2.66 3.88 8.97 0.00 -1.26 -5.01 105.19 114.98 3d29 n GLY 128 Ca 0.14 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 -0.77 1.75 0.13 -0.02 0.00 -1.22 -5.09 107.32 102.09 3d29 s GLY 129 Ca 0.00 -0.26 0.10 0.00 0.00 0.00 0.00 44.72 44.56 3d29 s GLY 129 CO 0.00 -0.06 -0.25 1.09 0.00 0.00 0.00 173.10 173.88 3d29 s ARG 130 N -4.40 1.34 0.90 2.90 1.70 -1.26 -4.68 118.95 115.46 3d29 s ARG 130 Ca 0.51 -1.33 -0.11 0.00 -0.47 0.00 0.00 55.73 54.33 3d29 s ARG 130 Cb -0.10 -1.76 0.13 0.00 -0.57 0.00 0.00 34.95 32.65 3d29 s ARG 130 CO 0.40 0.41 1.09 -2.14 -1.08 0.00 0.00 175.30 173.98 3d29 s PRO 131 N -2.10 1.22 0.33 3.89 0.02 -1.21 -4.84 135.00 132.30 3d29 s PRO 131 Ca 0.13 0.84 -0.26 0.00 0.02 0.00 0.00 61.00 61.73 3d29 s PRO 131 Cb -0.10 -1.80 -0.10 0.00 0.02 0.00 0.00 34.50 32.52 3d29 s PRO 131 CO 0.06 -2.27 0.97 0.71 -0.33 0.00 0.00 177.00 176.13 3d29 s TYR 132 N -2.92 3.64 -0.73 6.54 1.51 -1.26 -4.98 117.35 119.16 3d29 s TYR 132 Ca 0.64 1.77 0.01 0.00 -1.01 0.00 0.00 57.07 58.47 3d29 s TYR 132 Cb -0.18 -2.98 0.37 0.00 -0.11 0.00 0.00 41.96 39.06 3d29 s TYR 132 CO 0.57 0.06 1.62 0.41 -1.11 0.00 0.00 175.55 177.10 3d29 n GLY 133 N 0.60 5.77 3.36 0.71 0.00 -1.26 -4.63 105.19 109.74 3d29 n GLY 133 Ca 0.02 -2.61 -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 -5.06 0.02 0.10 1.61 0.11 -1.26 -0.14 120.40 115.78 3d29 s VAL 134 Ca 0.49 -0.18 0.03 0.00 -2.93 0.00 0.00 61.98 59.39 3d29 s VAL 134 Cb 0.38 -0.72 -0.04 0.00 -1.53 0.00 0.00 36.38 34.47 3d29 s VAL 134 CO -0.28 -0.10 0.14 -0.83 -3.33 0.00 0.00 175.10 170.69 3d29 s GLY 135 N -0.65 1.98 -0.00 6.54 0.00 0.70 -4.11 107.32 111.78 3d29 s GLY 135 Ca -0.07 -1.01 0.01 0.00 0.00 0.00 0.00 44.72 43.65 3d29 s GLY 135 CO 0.04 -1.00 -0.05 1.08 0.00 0.00 0.00 173.10 173.17 3d29 s LEU 136 N -2.62 2.01 -0.18 0.66 1.43 -0.59 -1.89 118.68 117.50 3d29 s LEU 136 Ca 0.31 -0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.31 3d29 s LEU 136 Cb -0.12 -0.23 -0.00 0.00 0.03 0.00 0.00 46.19 45.87 3d29 s LEU 136 CO 0.24 0.05 -0.11 -0.76 0.23 0.00 0.00 176.35 176.00 3d29 s LEU 137 N -0.12 2.62 -0.14 1.79 1.43 -0.31 0.51 118.68 124.46 3d29 s LEU 137 Ca 0.02 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 3d29 s LEU 137 Cb -0.02 -1.63 -0.00 0.00 0.03 0.00 0.00 46.19 44.57 3d29 s LEU 137 CO -0.00 0.03 -0.17 -0.63 0.23 0.00 0.00 176.35 175.81 3d29 s ILE 138 N 1.13 2.53 0.11 -0.59 1.01 -0.01 -0.86 121.20 124.51 3d29 s ILE 138 Ca 0.01 -0.83 0.09 0.00 0.00 0.00 0.00 60.65 59.92 3d29 s ILE 138 Cb -0.14 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 3d29 s ILE 138 CO -0.03 0.53 -0.20 0.27 0.00 0.00 0.00 174.94 175.51 3d29 s ILE 139 N 0.69 2.71 -0.06 2.92 -4.36 -0.69 0.35 121.20 122.77 3d29 s ILE 139 Ca -0.08 -1.51 -0.31 0.00 -0.26 0.00 0.00 60.65 58.49 3d29 s ILE 139 Cb -0.16 -2.22 0.11 0.00 1.25 0.00 0.00 42.46 41.44 3d29 s ILE 139 CO 0.02 0.13 1.06 -0.83 0.24 0.00 0.00 174.94 175.56 3d29 s GLY 140 N -2.02 -0.37 -0.20 6.27 0.00 -0.88 -2.18 107.32 107.93 3d29 s GLY 140 Ca 0.17 1.11 0.00 0.00 0.00 0.00 0.00 44.72 46.00 3d29 s GLY 140 CO 0.09 0.35 -0.06 -0.47 0.00 0.00 0.00 173.10 173.01 3d29 s TYR 141 N -2.79 2.11 0.00 1.90 5.04 -0.55 -1.09 117.35 121.96 3d29 s TYR 141 Ca 0.08 -1.46 0.00 0.00 -2.44 0.00 0.00 57.07 53.26 3d29 s TYR 141 Cb -0.00 -1.48 0.00 0.00 0.35 0.00 0.00 41.96 40.83 3d29 s TYR 141 CO -0.06 -0.71 0.00 -0.40 -1.34 0.00 0.00 175.55 173.04 3d29 n ASP 142 N 4.76 1.55 0.00 4.32 3.85 -0.45 -4.84 116.55 125.74 3d29 n ASP 142 Ca -0.12 -0.27 0.03 0.00 -0.71 0.00 0.00 54.79 53.71 3d29 n ASP 142 Cb 0.46 0.00 0.14 0.00 -1.35 0.00 0.00 41.12 40.37 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 0.11 -0.04 0.11 5.02 -1.26 -1.32 118.16 120.78 3d29 n LYS 143 Ca 0.00 0.14 0.03 0.00 -2.02 0.00 0.00 58.31 56.47 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 -1.17 2.17 0.00 4.39 3.41 -1.26 -5.11 113.62 116.05 3d29 n SER 144 Ca 0.03 -2.32 0.00 0.00 -0.26 0.00 0.00 58.87 56.32 3d29 n SER 144 Cb 0.03 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 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 -0.72 0.14 3.84 5.00 0.00 -0.44 -4.99 105.19 108.03 3d29 n GLY 145 Ca 0.05 -1.84 -0.34 0.00 0.00 0.00 0.00 46.02 43.89 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 3.47 0.02 4.61 0.00 -1.26 -1.35 121.76 125.25 3d29 s ALA 146 Ca 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 51.96 51.85 3d29 s ALA 146 Cb 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 23.12 20.47 3d29 s ALA 146 CO 0.00 0.40 0.16 -1.01 0.00 0.00 0.00 175.76 175.31 3d29 s HIS 147 N -1.67 0.07 -0.03 0.00 3.76 -0.25 -4.99 115.29 112.18 3d29 s HIS 147 Ca 0.45 -0.25 -0.00 0.00 -0.15 0.00 0.00 55.06 55.10 3d29 s HIS 147 Cb -0.14 -0.06 0.03 0.00 1.11 0.00 0.00 32.58 33.53 3d29 s HIS 147 CO 0.20 -0.36 0.02 -1.17 -0.85 0.00 0.00 174.74 172.58 3d29 s LEU 148 N -1.80 0.90 0.09 0.89 2.96 -1.25 -2.08 118.68 118.38 3d29 s LEU 148 Ca -0.09 0.01 0.09 0.00 -0.22 0.00 0.00 54.13 53.93 3d29 s LEU 148 Cb -0.04 -0.17 -0.03 0.00 0.50 0.00 0.00 46.19 46.45 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 1.32 2.25 -0.19 -0.68 1.02 0.16 -1.39 118.68 121.16 3d29 s LEU 149 Ca -0.06 -0.65 -0.00 0.00 0.02 0.00 0.00 54.13 53.44 3d29 s LEU 149 Cb -0.13 -1.13 0.01 0.00 0.02 0.00 0.00 46.19 44.97 3d29 s LEU 149 CO -0.03 0.17 -0.15 -0.70 0.02 0.00 0.00 176.35 175.66 3d29 s GLU 150 N -1.64 3.06 -0.20 1.70 2.12 0.12 -0.83 118.70 123.02 3d29 s GLU 150 Ca 0.11 -0.80 -0.06 0.00 0.36 0.00 0.00 54.97 54.58 3d29 s GLU 150 Cb -0.10 -2.70 -0.03 0.00 0.26 0.00 0.00 34.13 31.56 3d29 s GLU 150 CO 0.04 -0.22 0.02 0.12 -0.54 0.00 0.00 175.26 174.68 3d29 s PHE 151 N 1.33 3.08 0.03 5.30 5.36 0.18 -0.89 117.98 132.38 3d29 s PHE 151 Ca 0.05 -0.36 0.06 0.00 -0.96 0.00 0.00 56.93 55.72 3d29 s PHE 151 Cb -0.14 -2.10 -0.03 0.00 -0.34 0.00 0.00 43.02 40.41 3d29 s PHE 151 CO -0.10 -0.19 -0.14 -0.65 -1.46 0.00 0.00 175.22 172.69 3d29 s GLN 152 N 0.97 2.25 0.26 10.12 -1.52 -0.50 -1.54 119.66 129.70 3d29 s GLN 152 Ca 0.02 -0.89 0.14 0.00 -1.95 0.00 0.00 55.36 52.68 3d29 s GLN 152 Cb -0.14 -2.30 0.75 0.00 -0.22 0.00 0.00 33.01 31.09 3d29 s GLN 152 CO 0.02 0.56 1.36 -2.30 -0.25 0.00 0.00 175.29 174.68 3d29 n PRO 153 N 1.51 0.09 0.12 2.91 -0.02 -1.26 0.30 135.00 138.66 3d29 n PRO 153 Ca -0.16 0.56 0.13 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 32.51 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 0.77 0.00 2.55 3.41 -1.26 -4.54 113.62 112.54 3d29 n SER 154 Ca -0.01 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 3d29 n SER 154 Cb 0.17 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 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 0.67 0.28 3.66 5.00 0.00 0.15 -4.69 105.19 110.26 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 -2.05 6.92 -0.06 1.61 0.01 -1.21 -4.42 114.94 115.75 3d29 s ASN 156 Ca 0.00 1.78 0.06 0.00 -0.71 0.00 0.00 52.86 53.99 3d29 s ASN 156 Cb 0.00 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 39.11 3d29 s ASN 156 CO 0.00 -0.77 -0.23 -0.69 -1.51 0.00 0.00 177.10 173.90 3d29 s VAL 157 N 3.42 2.25 -0.01 1.60 1.01 -1.26 -1.40 120.40 126.01 3d29 s VAL 157 Ca 0.57 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.56 3d29 s VAL 157 Cb -0.24 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.32 3d29 s VAL 157 CO 0.17 0.57 -0.03 -0.89 0.00 0.00 0.00 175.10 174.92 3d29 s THR 158 N -0.24 0.27 -0.08 3.92 2.01 -0.07 -4.92 115.64 116.54 3d29 s THR 158 Ca -0.01 -0.11 -0.19 0.00 0.31 0.00 0.00 61.69 61.69 3d29 s THR 158 Cb -0.13 -0.26 -0.05 0.00 0.01 0.00 0.00 72.50 72.08 3d29 s THR 158 CO 0.03 0.10 0.51 -0.70 -0.69 0.00 0.00 174.62 173.87 3d29 s GLU 159 N 0.13 4.30 0.26 4.92 2.12 -1.26 0.12 118.70 129.29 3d29 s GLU 159 Ca -0.01 0.54 0.02 0.00 0.36 0.00 0.00 54.97 55.88 3d29 s GLU 159 Cb -0.04 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 3d29 s GLU 159 CO -0.00 0.25 0.18 -0.51 -0.54 0.00 0.00 175.26 174.63 3d29 s LEU 160 N 0.29 1.45 0.01 2.70 1.43 -0.49 -5.00 118.68 119.07 3d29 s LEU 160 Ca 0.28 -1.53 0.10 0.00 -1.03 0.00 0.00 54.13 51.94 3d29 s LEU 160 Cb -0.16 0.38 -0.23 0.00 0.03 0.00 0.00 46.19 46.21 3d29 s LEU 160 CO 0.13 -0.91 0.85 1.88 0.23 0.00 0.00 176.35 178.53 3d29 h TYR 161 N 2.39 0.03 -1.86 0.29 0.05 -1.94 -3.36 116.97 112.58 3d29 h TYR 161 Ca -0.32 -0.03 0.22 0.00 0.05 0.00 0.00 58.73 58.65 3d29 h TYR 161 Cb 1.24 -0.00 -0.14 0.00 1.01 0.00 0.00 36.73 38.85 3d29 h TYR 161 CO 0.88 1.04 0.67 0.20 -1.05 0.00 0.00 178.16 179.89 3d29 s GLY 162 N -4.99 -0.35 -0.03 3.88 0.00 -1.26 -1.18 107.32 103.39 3d29 s GLY 162 Ca -0.04 0.89 -0.29 0.00 0.00 0.00 0.00 44.72 45.28 3d29 s GLY 162 CO 0.82 0.26 1.31 -1.08 0.00 0.00 0.00 173.10 174.41 3d29 s THR 163 N -2.78 0.00 -0.11 0.90 -1.32 0.83 -4.96 115.64 108.20 3d29 s THR 163 Ca 0.10 -0.14 -0.22 0.00 -1.21 0.00 0.00 61.69 60.22 3d29 s THR 163 Cb 0.00 -2.82 0.05 0.00 -1.51 0.00 0.00 72.50 68.23 3d29 s THR 163 CO -0.04 0.00 0.54 0.00 -2.21 0.00 0.00 174.62 172.91 3d29 s ALA 164 N -2.06 -1.36 0.15 11.08 0.00 -1.26 -0.94 121.76 127.36 3d29 s ALA 164 Ca 0.28 1.18 0.03 0.00 0.00 0.00 0.00 51.96 53.44 3d29 s ALA 164 Cb 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 3d29 s ALA 164 CO -0.02 -0.30 -0.06 0.96 0.00 0.00 0.00 175.76 176.35 3d29 s ILE 165 N -0.60 0.92 0.00 0.00 -4.36 -0.84 -4.85 121.20 111.46 3d29 s ILE 165 Ca -0.07 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.31 3d29 s ILE 165 Cb -0.03 -1.90 0.00 0.00 1.25 0.00 0.00 42.46 41.78 3d29 s ILE 165 CO 0.05 -0.69 0.00 0.61 0.24 0.00 0.00 174.94 175.15 3d29 n GLY 166 N -0.18 -1.93 3.74 6.27 0.00 -1.26 -1.76 105.19 110.07 3d29 n GLY 166 Ca -0.10 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.29 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 -1.04 3.66 -1.53 4.61 0.00 0.14 -2.23 121.76 125.38 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 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.55 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 2.75 -1.10 0.25 0.00 1.74 -1.26 -4.31 116.66 114.72 3d29 n ARG 168 Ca 0.09 1.00 0.09 0.00 -0.77 0.00 0.00 57.85 58.25 3d29 n ARG 168 Cb 0.40 -5.15 0.62 0.00 -1.02 0.00 0.00 32.46 27.31 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 -0.68 0.55 4.64 -1.75 -2.71 113.55 113.60 3d29 h SER 169 Ca -0.29 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.22 3d29 h SER 169 Cb 0.99 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.05 3d29 h SER 169 CO 0.43 0.14 0.49 -0.61 -0.87 0.00 0.00 176.83 176.41 3d29 h GLN 170 N 0.00 0.02 0.53 4.77 5.75 -1.89 -1.93 115.11 122.36 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 0.29 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.84 3d29 h GLN 170 CO 0.02 0.01 -0.26 0.78 -2.65 0.00 0.00 178.83 176.73 3d29 h GLY 171 N 0.02 -0.77 0.43 2.39 0.00 -1.70 -1.59 103.07 101.85 3d29 h GLY 171 Ca 0.33 0.29 0.13 0.00 0.00 0.00 0.00 47.33 48.07 3d29 h GLY 171 CO -0.01 -0.28 0.63 0.00 0.00 0.00 0.00 176.54 176.88 3d29 h ALA 172 N -1.65 1.54 -0.29 3.60 0.00 -1.54 -2.08 119.26 118.83 3d29 h ALA 172 Ca -0.07 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3d29 h ALA 172 Cb 0.55 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3d29 h ALA 172 CO 0.12 0.19 0.17 -0.22 0.00 0.00 0.00 179.25 179.51 3d29 h LYS 173 N 0.97 0.35 -0.41 0.00 3.64 -1.27 0.10 116.57 119.95 3d29 h LYS 173 Ca 0.51 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.86 3d29 h LYS 173 Cb 0.54 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 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 0.36 1.14 -0.65 1.00 2.02 -0.71 0.13 112.91 116.20 3d29 h THR 174 Ca 0.11 -0.35 0.05 0.00 0.77 0.00 0.00 66.41 66.99 3d29 h THR 174 Cb -0.01 0.64 -0.05 0.00 -1.74 0.00 0.00 68.15 66.98 3d29 h THR 174 CO -0.05 0.15 0.37 0.22 0.37 0.00 0.00 175.52 176.58 3d29 h TYR 175 N 0.53 0.68 -0.15 3.16 3.20 -0.95 -0.28 116.97 123.15 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 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 3d29 h TYR 175 CO -0.03 0.35 -0.44 -0.07 -1.64 0.00 0.00 178.16 176.33 3d29 h LEU 176 N 0.70 0.39 -0.59 2.82 3.38 -0.45 0.21 115.31 121.77 3d29 h LEU 176 Ca 0.28 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3d29 h LEU 176 Cb 0.13 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3d29 h LEU 176 CO -0.16 0.78 0.00 1.21 0.09 0.00 0.00 178.44 180.37 3d29 n GLU 177 N -4.00 0.20 -0.11 1.13 2.13 0.41 -0.97 120.64 119.43 3d29 n GLU 177 Ca -0.02 0.39 -0.16 0.00 0.66 0.00 0.00 57.16 58.04 3d29 n GLU 177 Cb 0.52 -1.86 -0.13 0.00 0.27 0.00 0.00 31.44 30.24 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 0.04 5.31 0.00 -0.19 -4.38 116.66 115.88 3d29 n ARG 178 Ca 0.03 0.12 0.13 0.00 -0.00 0.00 0.00 57.85 58.12 3d29 n ARG 178 Cb 0.26 -1.54 0.39 0.00 0.00 0.00 0.00 32.46 31.56 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 -3.13 0.23 -0.05 5.15 -1.04 0.68 -4.64 114.28 111.48 3d29 n THR 179 Ca -0.41 -0.13 -0.01 0.00 -2.04 0.00 0.00 64.05 61.45 3d29 n THR 179 Cb 1.04 -0.27 -0.01 0.00 -1.82 0.00 0.00 70.33 69.26 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 -1.83 -0.12 0.24 -4.42 7.94 -0.14 0.66 117.00 119.33 3d29 n LEU 180 Ca 0.05 0.40 0.14 0.00 -1.11 0.00 0.00 56.01 55.49 3d29 n LEU 180 Cb 0.38 -0.12 0.75 0.00 0.53 0.00 0.00 43.42 44.96 3d29 n LEU 180 CO 0.32 -0.26 0.98 0.44 -1.11 0.00 0.00 177.39 177.75 3d29 h ASP 18 N 0.00 0.00 0.00 1.96 3.45 -1.89 -2.77 116.42 117.17 3d29 h ASP 18 Ca 0.02 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.48 3d29 h ASP 18 Cb 0.05 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 3d29 h ASP 18 CO -0.11 0.00 -0.43 0.41 -1.57 0.00 0.00 179.24 177.55 3d29 n THR 18 N -2.55 1.16 0.23 0.35 -1.04 0.21 -4.40 114.28 108.23 3d29 n THR 18 Ca -0.02 0.27 0.06 0.00 -2.04 0.00 0.00 64.05 62.32 3d29 n THR 18 Cb 0.18 -2.23 0.52 0.00 -1.82 0.00 0.00 70.33 66.98 3d29 n THR 18 CO 0.00 0.00 0.00 2.19 -0.64 0.00 0.00 175.07 176.62 3d29 h PHE 18 N -0.82 0.00 0.00 -1.42 -5.15 -1.49 -2.50 116.94 105.55 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 0.43 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.60 3d29 h PHE 18 CO -0.18 0.19 0.00 0.97 -2.00 0.00 0.00 178.31 177.29 3d29 h ILE 18 N 0.00 0.00 -0.28 0.88 -0.00 -1.66 -1.67 117.51 114.77 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 0.35 1.12 0.00 0.00 -0.00 0.00 0.00 36.82 38.29 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 -2.91 2.43 -1.82 2.19 5.02 -0.94 -3.58 118.16 118.55 3d29 n LYS 18 Ca -0.01 -2.17 -0.42 0.00 -2.02 0.00 0.00 58.31 53.69 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 1.43 3.28 -3.74 -0.18 5.41 -0.63 -4.93 119.36 120.00 3d29 n ILE 18 Ca 0.17 -2.99 -0.36 0.00 1.00 0.00 0.00 62.75 60.58 3d29 n ILE 18 Cb 0.60 -2.51 -0.06 0.00 -0.71 0.00 0.00 39.64 36.96 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 3.73 6.53 -0.60 4.38 1.01 -1.26 -4.30 116.67 126.16 3d29 s ASP 183 Ca 0.50 0.61 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 41.93 3d29 s ASP 183 CO -0.02 0.29 0.00 0.61 0.21 0.00 0.00 175.17 176.26 3d29 n GLY 184 N 1.40 0.79 2.57 0.21 0.00 -1.26 -4.94 105.19 103.96 3d29 n GLY 184 Ca -0.13 -0.47 -0.16 0.00 0.00 0.00 0.00 46.02 45.26 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 0.37 -1.96 -0.28 1.61 4.05 -1.26 -5.02 115.26 112.77 3d29 n ASN 185 Ca -0.06 -2.65 0.04 0.00 0.45 0.00 0.00 54.58 52.36 3d29 n ASN 185 Cb 0.24 0.60 0.18 0.00 1.23 0.00 0.00 39.78 42.04 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 5.28 0.64 -0.86 1.20 0.13 -1.92 -2.31 132.00 134.16 3d29 h PRO 186 Ca 0.16 -0.04 0.10 0.00 -0.87 0.00 0.00 66.00 65.36 3d29 h PRO 186 Cb 1.01 -0.15 -0.06 0.00 0.13 0.00 0.00 31.00 31.93 3d29 h PRO 186 CO 0.20 0.43 0.56 -0.44 -0.23 0.00 0.00 178.00 178.51 3d29 h ASP 187 N 0.66 0.73 -0.23 1.44 3.32 -1.98 -0.21 116.42 120.15 3d29 h ASP 187 Ca 0.41 0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.38 3d29 h ASP 187 Cb 0.49 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 3d29 h ASP 187 CO -0.30 0.42 -0.29 -0.33 -1.72 0.00 0.00 179.24 177.02 3d29 h GLU 188 N 0.80 0.60 -0.88 3.56 4.39 -1.82 -2.16 114.58 119.07 3d29 h GLU 188 Ca 0.40 -0.34 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 3d29 h GLU 188 Cb 0.47 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.11 3d29 h GLU 188 CO -0.17 0.94 0.51 1.25 -1.16 0.00 0.00 179.01 180.37 3d29 h LEU 189 N 0.29 1.07 -0.42 1.33 6.46 -1.18 -1.63 115.31 121.23 3d29 h LEU 189 Ca 0.03 -0.08 -0.03 0.00 -0.12 0.00 0.00 57.88 57.67 3d29 h LEU 189 Cb 0.86 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.50 3d29 h LEU 189 CO 0.07 0.84 0.13 0.40 -0.62 0.00 0.00 178.44 179.26 3d29 h ILE 190 N 1.21 1.22 -0.26 4.05 2.04 -1.03 -1.63 117.51 123.12 3d29 h ILE 190 Ca 0.31 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 3d29 h ILE 190 Cb -0.01 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3d29 h ILE 190 CO -0.05 0.26 0.11 0.11 0.00 0.00 0.00 178.15 178.57 3d29 h LYS 191 N 0.54 0.35 -0.06 2.37 1.57 -0.99 0.27 116.57 120.62 3d29 h LYS 191 Ca 0.14 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.76 3d29 h LYS 191 Cb 0.27 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3d29 h LYS 191 CO -0.00 0.29 -0.49 0.00 -0.57 0.00 0.00 179.45 178.68 3d29 h ALA 192 N 1.76 1.07 -0.18 3.86 0.00 -0.91 -1.01 119.26 123.85 3d29 h ALA 192 Ca 0.09 -0.46 -0.22 0.00 0.00 0.00 0.00 54.91 54.32 3d29 h ALA 192 Cb 0.07 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.78 3d29 h ALA 192 CO -0.01 0.64 -0.74 0.78 0.00 0.00 0.00 179.25 179.92 3d29 h GLY 193 N 1.38 0.90 1.72 0.00 0.00 0.21 -1.47 103.07 105.81 3d29 h GLY 193 Ca 0.00 -1.22 -0.11 0.00 0.00 0.00 0.00 47.33 46.00 3d29 h GLY 193 CO 0.07 1.09 -0.37 -2.08 0.00 0.00 0.00 176.54 175.25 3d29 h VAL 194 N 0.57 1.30 -0.13 4.60 2.07 -0.40 -1.18 116.25 123.07 3d29 h VAL 194 Ca -0.04 -1.46 -0.16 0.00 0.82 0.00 0.00 66.70 65.87 3d29 h VAL 194 Cb 1.37 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 3d29 h VAL 194 CO 0.15 0.44 -0.58 -0.08 0.02 0.00 0.00 177.57 177.53 3d29 h GLU 195 N 0.27 0.42 -0.13 1.57 4.81 -1.12 -1.93 114.58 118.46 3d29 h GLU 195 Ca 0.03 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 58.96 3d29 h GLU 195 Cb 0.79 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.20 3d29 h GLU 195 CO 0.06 0.88 -0.02 0.00 -0.73 0.00 0.00 179.01 179.20 3d29 h ALA 196 N 1.06 0.18 -0.44 2.92 0.00 -0.85 -3.18 119.26 118.95 3d29 h ALA 196 Ca 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3d29 h ALA 196 Cb 1.10 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3d29 h ALA 196 CO 0.10 -0.09 0.17 0.97 0.00 0.00 0.00 179.25 180.40 3d29 h ILE 197 N -0.05 1.20 0.00 0.00 6.09 -1.19 -2.33 117.51 121.23 3d29 h ILE 197 Ca 0.03 -0.63 0.00 0.00 -1.37 0.00 0.00 64.86 62.89 3d29 h ILE 197 Cb 0.42 0.80 0.00 0.00 0.47 0.00 0.00 36.82 38.51 3d29 h ILE 197 CO 0.01 0.23 0.02 -1.54 -3.07 0.00 0.00 178.15 173.80 3d29 n SER 198 N -4.61 0.47 0.00 2.19 3.41 -0.73 0.01 113.62 114.36 3d29 n SER 198 Ca 0.01 0.71 0.12 0.00 -0.26 0.00 0.00 58.87 59.45 3d29 n SER 198 Cb 0.15 -0.77 0.61 0.00 -0.26 0.00 0.00 64.21 63.95 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 -2.14 0.33 -0.10 4.33 -0.06 -0.88 -2.58 117.38 116.28 3d29 n GLN 199 Ca -0.01 0.06 0.04 0.00 -2.00 0.00 0.00 57.00 55.08 3d29 n GLN 199 Cb 0.05 -1.50 0.09 0.00 -4.06 0.00 0.00 30.24 24.82 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 -1.30 2.49 -4.89 1.69 7.64 0.10 -4.10 113.62 115.26 3d29 n SER 200 Ca 0.11 -2.23 -0.29 0.00 1.01 0.00 0.00 58.87 57.47 3d29 n SER 200 Cb 0.20 -0.17 0.08 0.00 -1.01 0.00 0.00 64.21 63.31 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 -1.40 2.57 0.08 -3.43 1.43 -1.07 -4.80 118.68 112.06 3d29 s LEU 201 Ca 0.15 0.86 0.00 0.00 -1.03 0.00 0.00 54.13 54.11 3d29 s LEU 201 Cb 0.10 -3.41 0.00 0.00 0.03 0.00 0.00 46.19 42.92 3d29 s LEU 201 CO 0.06 -1.81 0.00 -1.14 0.23 0.00 0.00 176.35 173.69 3d29 n ARG 202 N -3.27 0.00 0.01 1.70 0.63 -1.26 -4.98 116.66 109.49 3d29 n ARG 202 Ca 0.08 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.91 3d29 n ARG 202 Cb 0.60 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.45 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 -1.04 -0.04 6.15 3.58 -2.03 -3.46 116.42 119.58 3d29 h ASP 203 Ca 0.00 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.57 3d29 h ASP 203 Cb 0.00 0.40 0.00 0.00 1.72 0.00 0.00 39.33 41.45 3d29 h ASP 203 CO 0.00 -0.31 0.00 -1.84 -2.88 0.00 0.00 179.24 174.21 3d29 n GLU 204 N -4.31 0.89 -4.42 0.28 0.28 -1.26 -5.17 120.64 106.94 3d29 n GLU 204 Ca -0.04 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.76 3d29 n GLU 204 Cb 0.24 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 32.97 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 1.48 -0.04 -1.84 0.15 -1.26 -4.90 113.70 108.29 3d29 s SER 206 Ca 0.00 -0.34 -0.30 0.00 0.70 0.00 0.00 55.95 56.01 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 0.07 1.98 -1.48 1.20 0.00 0.00 173.24 175.01 3d29 s LEU 207 N -0.74 4.19 0.00 3.45 2.34 -1.26 -4.99 118.68 121.67 3d29 s LEU 207 Ca 0.02 2.43 0.04 0.00 0.06 0.00 0.00 54.13 56.68 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 -1.24 0.37 0.35 -1.06 0.00 0.00 176.35 174.77 3d29 n THR 2 N 6.05 0.00 0.04 5.48 -2.24 -1.26 -4.93 114.28 117.41 3d29 n THR 2 Ca 0.22 -0.93 -0.12 0.00 -2.27 0.00 0.00 64.05 60.95 3d29 n THR 2 Cb 0.42 -0.74 -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 0.08 1.36 -0.51 2.28 3.04 -1.93 -2.52 116.25 118.04 3d29 h VAL 2 Ca -0.13 -2.15 -0.01 0.00 -1.01 0.00 0.00 66.70 63.40 3d29 h VAL 2 Cb 0.59 2.14 -0.00 0.00 -2.01 0.00 0.00 31.29 32.01 3d29 h VAL 2 CO 0.19 0.65 0.01 -0.90 -1.01 0.00 0.00 177.57 176.51 3d29 n ASP 2 N -3.84 5.34 0.00 3.17 5.68 -1.26 -2.43 116.55 123.20 3d29 n ASP 2 Ca -0.05 -2.97 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 0.35 2.30 -4.82 -1.12 5.15 -1.20 -4.74 115.26 111.19 3d29 n ASN 2 Ca 0.27 -0.15 -0.35 0.00 -0.60 0.00 0.00 54.58 53.75 3d29 n ASN 2 Cb 1.15 0.76 -0.07 0.00 -0.53 0.00 0.00 39.78 41.09 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 -1.98 4.09 -0.04 1.20 2.96 -0.95 -1.10 118.68 122.86 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 -2.17 0.02 0.00 0.50 0.00 0.00 46.19 44.54 3d29 s LEU 210 CO 0.00 0.34 -0.02 -0.55 -1.32 0.00 0.00 176.35 174.79 3d29 s SER 211 N -1.36 0.85 0.02 3.68 0.15 -0.66 -4.25 113.70 112.13 3d29 s SER 211 Ca 0.19 -0.09 0.03 0.00 0.70 0.00 0.00 55.95 56.78 3d29 s SER 211 Cb -0.12 -0.37 -0.01 0.00 -1.71 0.00 0.00 66.02 63.80 3d29 s SER 211 CO 0.09 -0.09 -0.09 -0.63 1.20 0.00 0.00 173.24 173.73 3d29 s ILE 212 N 1.07 0.65 0.03 6.45 1.01 -0.73 0.07 121.20 129.74 3d29 s ILE 212 Ca -0.09 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 59.87 3d29 s ILE 212 Cb -0.14 -0.61 -0.02 0.00 0.01 0.00 0.00 42.46 41.70 3d29 s ILE 212 CO -0.01 -0.06 -0.04 0.00 0.00 0.00 0.00 174.94 174.83 3d29 s ALA 213 N -0.70 0.25 0.03 9.38 0.00 -0.09 0.98 121.76 131.60 3d29 s ALA 213 Ca -0.02 -0.65 -0.08 0.00 0.00 0.00 0.00 51.96 51.22 3d29 s ALA 213 Cb -0.06 0.12 -0.00 0.00 0.00 0.00 0.00 23.12 23.18 3d29 s ALA 213 CO 0.00 -0.12 0.15 -1.50 0.00 0.00 0.00 175.76 174.30 3d29 s ILE 214 N -1.46 0.11 -0.05 0.00 2.07 -0.79 -1.00 121.20 120.08 3d29 s ILE 214 Ca -0.14 -0.87 -0.17 0.00 -1.41 0.00 0.00 60.65 58.06 3d29 s ILE 214 Cb -0.10 -0.75 0.03 0.00 0.13 0.00 0.00 42.46 41.77 3d29 s ILE 214 CO -0.01 -0.48 0.38 0.54 -1.91 0.00 0.00 174.94 173.46 3d29 s VAL 215 N -2.18 0.04 -0.02 4.00 0.11 -0.74 -1.27 120.40 120.35 3d29 s VAL 215 Ca -0.08 -0.32 -0.06 0.00 -2.93 0.00 0.00 61.98 58.59 3d29 s VAL 215 Cb -0.03 -0.66 0.02 0.00 -1.53 0.00 0.00 36.38 34.18 3d29 s VAL 215 CO -0.02 -0.17 0.27 0.61 -3.33 0.00 0.00 175.10 172.46 3d29 n GLY 216 N 1.52 0.35 0.06 6.54 0.00 -0.27 -1.09 105.19 112.30 3d29 n GLY 216 Ca -0.20 -0.85 -0.01 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.20 -0.06 -1.03 1.61 4.81 -0.82 -0.70 118.16 121.77 3d29 n LYS 217 Ca 0.01 0.35 0.01 0.00 -0.87 0.00 0.00 58.31 57.82 3d29 n LYS 217 Cb 0.12 -0.52 0.15 0.00 0.02 0.00 0.00 35.03 34.79 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 -3.27 2.05 -3.95 3.14 10.43 -1.26 -4.98 116.55 118.71 3d29 n ASP 218 Ca 0.00 -3.52 -0.31 0.00 2.57 0.00 0.00 54.79 53.54 3d29 n ASP 218 Cb 0.04 -0.46 -0.15 0.00 1.84 0.00 0.00 41.12 42.38 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 -2.94 1.70 0.34 -3.53 2.01 0.12 -5.11 115.64 108.24 3d29 s THR 219 Ca 0.39 -1.52 -0.28 0.00 0.31 0.00 0.00 61.69 60.59 3d29 s THR 219 Cb 0.38 -2.02 -0.10 0.00 0.01 0.00 0.00 72.50 70.77 3d29 s THR 219 CO -0.07 -0.25 1.26 -2.16 -0.69 0.00 0.00 174.62 172.71 3d29 s PRO 220 N 1.28 4.31 -0.40 4.92 0.04 -1.26 -1.12 135.00 142.78 3d29 s PRO 220 Ca -0.02 2.10 -0.43 0.00 0.04 0.00 0.00 61.00 62.69 3d29 s PRO 220 Cb -0.19 -3.00 -0.18 0.00 0.04 0.00 0.00 34.50 31.18 3d29 s PRO 220 CO -0.08 -0.18 1.74 0.34 0.04 0.00 0.00 177.00 178.85 3d29 n PHE 221 N 0.68 1.84 -4.17 0.56 -0.00 0.46 -4.75 117.46 112.07 3d29 n PHE 221 Ca 0.01 0.80 -0.17 0.00 -0.00 0.00 0.00 57.45 58.10 3d29 n PHE 221 Cb 0.43 -2.35 -0.15 0.00 -0.00 0.00 0.00 39.48 37.41 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 3.71 0.45 0.01 -2.13 -4.23 -0.39 -4.95 115.64 108.10 3d29 s THR 222 Ca 1.04 -0.21 -0.06 0.00 -1.18 0.00 0.00 61.69 61.28 3d29 s THR 222 Cb -1.28 -0.40 -0.05 0.00 1.34 0.00 0.00 72.50 72.12 3d29 s THR 222 CO 0.72 0.14 0.25 -0.63 -0.54 0.00 0.00 174.62 174.57 3d29 s ILE 223 N 0.06 5.32 -0.08 2.99 -1.09 -1.26 -1.88 121.20 125.26 3d29 s ILE 223 Ca -0.00 0.09 0.02 0.00 -2.23 0.00 0.00 60.65 58.53 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 1.72 0.05 3.97 2.02 0.27 -4.98 117.35 119.09 3d29 s TYR 224 Ca 0.28 -0.70 -0.02 0.00 -0.37 0.00 0.00 57.07 56.26 3d29 s TYR 224 Cb -0.13 -1.24 -0.03 0.00 -0.40 0.00 0.00 41.96 40.16 3d29 s TYR 224 CO 0.17 -0.35 0.01 -0.51 -1.57 0.00 0.00 175.55 173.30 3d29 s ASP 225 N 0.74 0.40 0.75 2.29 1.01 -1.26 -1.78 116.67 118.81 3d29 s ASP 225 Ca -0.13 -0.89 0.00 0.00 0.71 0.00 0.00 52.55 52.24 3d29 s ASP 225 Cb -0.16 0.22 0.00 0.00 1.01 0.00 0.00 42.92 43.99 3d29 s ASP 225 CO 0.03 -0.60 0.00 0.61 0.21 0.00 0.00 175.17 175.42 3d29 n GLY 226 N 0.20 2.53 0.53 0.21 0.00 -1.02 -2.08 105.19 105.56 3d29 n GLY 226 Ca -0.15 -0.35 0.43 0.00 0.00 0.00 0.00 46.02 45.96 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 13.74 -0.02 0.29 1.61 4.71 -1.26 0.95 120.64 140.65 3d29 n GLU 227 Ca 0.00 1.17 0.15 0.00 -0.01 0.00 0.00 57.16 58.47 3d29 n GLU 227 Cb 0.00 -2.42 0.86 0.00 -1.01 0.00 0.00 31.44 28.87 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 1.38 1.41 -0.02 0.62 0.00 -1.79 -1.84 119.26 119.01 3d29 h ALA 228 Ca 0.88 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.75 3d29 h ALA 228 Cb 3.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.84 3d29 h ALA 228 CO -0.32 0.06 -0.12 1.33 0.00 0.00 0.00 179.25 180.20 3d29 n VAL 229 N -3.74 0.00 -0.15 0.00 0.24 0.27 -4.57 118.33 110.38 3d29 n VAL 229 Ca -0.03 -0.44 -0.03 0.00 -2.04 0.00 0.00 64.34 61.81 3d29 n VAL 229 Cb 0.14 1.36 0.04 0.00 -1.47 0.00 0.00 33.84 33.91 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 3.71 0.39 0.00 2.33 0.00 -1.22 -0.94 119.26 123.53 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 0.77 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.88 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 0.15 0.00 0.00 0.00 -1.26 -1.78 118.16 109.96 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 0.26 -1.01 0.00 0.00 -0.00 0.00 0.00 35.03 34.28 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 -0.38 0.00 1.49 5.58 4.02 -0.36 -5.13 117.16 122.38 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 0.52 0.00 -0.02 0.00 0.00 39.34 39.84 3d29 n TYR 232 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96