#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d29 n GLY 7 N 0.00 1.95 1.08 0.00 0.00 -1.26 -3.52 105.19 103.44 3d29 n GLY 7 Ca 0.00 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 45.94 3d29 n GLY 7 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3d29 n TYR 8 N 0.14 0.36 1.41 1.61 4.01 -1.26 -4.08 117.16 119.35 3d29 n TYR 8 Ca 0.07 -0.18 0.01 0.00 -0.16 0.00 0.00 57.90 57.64 3d29 n TYR 8 Cb 0.51 0.00 0.04 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 1.41 0.00 -0.06 7.72 5.75 -1.23 -1.82 116.55 128.32 3d29 n ASP 9 Ca 0.18 -1.37 0.01 0.00 -0.01 0.00 0.00 54.79 53.60 3d29 n ASP 9 Cb 0.60 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.70 3d29 n ASP 9 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3d29 n ARG 10 N -0.53 1.37 -0.01 0.11 1.74 -1.26 -4.46 116.66 113.63 3d29 n ARG 10 Ca 0.01 -1.14 0.01 0.00 -0.77 0.00 0.00 57.85 55.95 3d29 n ARG 10 Cb 0.01 -1.03 -0.04 0.00 -1.02 0.00 0.00 32.46 30.37 3d29 n ARG 10 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3d29 n HIS 11 N -0.19 0.00 -4.31 -1.55 8.25 -0.76 -4.60 115.22 112.07 3d29 n HIS 11 Ca 0.01 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.31 3d29 n HIS 11 Cb 0.17 -0.18 -0.10 0.00 1.12 0.00 0.00 29.99 30.99 3d29 n HIS 11 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 3d29 s ILE 12 N -2.29 0.63 -1.38 1.59 -0.00 -1.23 -4.98 121.20 113.54 3d29 s ILE 12 Ca -0.02 -2.00 -0.11 0.00 -0.00 0.00 0.00 60.65 58.52 3d29 s ILE 12 Cb 0.03 -2.52 -0.06 0.00 -0.00 0.00 0.00 42.46 39.91 3d29 s ILE 12 CO 0.23 -0.11 2.54 0.35 -0.00 0.00 0.00 174.94 177.95 3d29 n THR 13 N -0.42 3.55 -4.53 8.37 -2.24 -1.26 -4.70 114.28 113.05 3d29 n THR 13 Ca -0.02 -2.38 -0.25 0.00 -2.27 0.00 0.00 64.05 59.13 3d29 n THR 13 Cb 0.66 -2.50 -0.10 0.00 -2.10 0.00 0.00 70.33 66.28 3d29 n THR 13 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3d29 s ILE 14 N 2.88 2.22 0.47 2.28 -0.00 -1.26 -4.64 121.20 123.15 3d29 s ILE 14 Ca 0.58 -2.22 -0.23 0.00 -0.00 0.00 0.00 60.65 58.78 3d29 s ILE 14 Cb 0.15 -2.60 -0.07 0.00 -0.00 0.00 0.00 42.46 39.94 3d29 s ILE 14 CO -0.05 -0.23 1.20 -0.36 -0.00 0.00 0.00 174.94 175.50 3d29 s PHE 15 N -2.63 2.78 0.39 1.37 0.08 -1.26 -4.69 117.98 114.02 3d29 s PHE 15 Ca 0.32 1.51 0.02 0.00 0.12 0.00 0.00 56.93 58.90 3d29 s PHE 15 Cb 0.02 -3.44 -0.01 0.00 -0.57 0.00 0.00 43.02 39.01 3d29 s PHE 15 CO 0.16 -1.72 0.58 -1.54 -0.10 0.00 0.00 175.22 172.60 3d29 s SER 16 N -1.30 6.01 0.63 1.36 1.04 -0.29 -4.87 113.70 116.28 3d29 s SER 16 Ca 0.65 0.23 0.30 0.00 0.48 0.00 0.00 55.95 57.61 3d29 s SER 16 Cb -0.30 -1.63 1.60 0.00 0.10 0.00 0.00 66.02 65.79 3d29 s SER 16 CO 0.37 -0.50 1.95 -0.65 0.98 0.00 0.00 173.24 175.38 3d29 h PRO 17 N 0.63 0.00 -0.01 4.02 0.11 -1.97 0.42 132.00 135.20 3d29 h PRO 17 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3d29 h PRO 17 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3d29 h PRO 17 CO 0.58 0.00 -0.00 0.39 -0.21 0.00 0.00 178.00 178.75 3d29 n GLU 18 N -3.31 1.35 -1.03 1.05 4.71 -1.26 -4.89 120.64 117.26 3d29 n GLU 18 Ca 0.02 -0.53 0.00 0.00 -0.01 0.00 0.00 57.16 56.64 3d29 n GLU 18 Cb 0.46 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.40 3d29 n GLU 18 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3d29 n GLY 19 N 1.10 0.43 3.88 0.62 0.00 0.15 -5.05 105.19 106.33 3d29 n GLY 19 Ca 0.21 -1.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.06 2.97 -0.50 1.61 0.52 -1.25 -4.79 118.95 115.44 3d29 s ARG 20 Ca 0.00 -1.08 0.03 0.00 -0.52 0.00 0.00 55.73 54.16 3d29 s ARG 20 Cb 0.00 -2.63 0.14 0.00 0.52 0.00 0.00 34.95 32.98 3d29 s ARG 20 CO 0.00 0.25 0.27 -0.51 0.02 0.00 0.00 175.30 175.34 3d29 s LEU 21 N -3.97 3.69 0.28 2.53 1.43 -1.26 -1.14 118.68 120.25 3d29 s LEU 21 Ca 0.38 -2.94 0.02 0.00 -1.03 0.00 0.00 54.13 50.55 3d29 s LEU 21 Cb -0.08 -1.39 0.60 0.00 0.03 0.00 0.00 46.19 45.36 3d29 s LEU 21 CO 0.27 -0.23 1.80 1.88 0.23 0.00 0.00 176.35 180.30 3d29 h TYR 22 N 6.47 1.05 -0.26 0.29 0.05 -1.86 -0.65 116.97 122.06 3d29 h TYR 22 Ca -0.03 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 3d29 h TYR 22 Cb 0.89 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 38.30 3d29 h TYR 22 CO 0.51 0.33 0.14 1.96 -1.05 0.00 0.00 178.16 180.05 3d29 h GLN 23 N 0.85 0.35 -0.27 4.88 1.08 -1.84 0.29 115.11 120.45 3d29 h GLN 23 Ca 0.51 -0.03 -0.17 0.00 -1.45 0.00 0.00 58.65 57.51 3d29 h GLN 23 Cb 0.65 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 3d29 h GLN 23 CO -0.32 0.27 -0.50 0.28 -0.95 0.00 0.00 178.83 177.61 3d29 h VAL 24 N 0.36 1.29 -0.61 -0.54 2.07 -1.50 -1.57 116.25 115.74 3d29 h VAL 24 Ca 0.09 -1.69 -0.06 0.00 0.82 0.00 0.00 66.70 65.86 3d29 h VAL 24 Cb 0.02 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 3d29 h VAL 24 CO -0.02 0.55 0.13 -0.33 0.02 0.00 0.00 177.57 177.92 3d29 h GLU 25 N 0.59 0.99 0.00 1.57 5.08 -0.56 -1.96 114.58 120.29 3d29 h GLU 25 Ca 0.01 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.07 3d29 h GLU 25 Cb 1.11 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 3d29 h GLU 25 CO 0.11 0.91 -0.26 1.88 -1.00 0.00 0.00 179.01 180.66 3d29 h TYR 26 N 0.90 0.00 -0.12 4.33 0.05 -0.45 -2.23 116.97 119.45 3d29 h TYR 26 Ca 0.19 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.94 3d29 h TYR 26 Cb 0.38 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.12 3d29 h TYR 26 CO 0.03 0.26 -0.04 0.00 -1.05 0.00 0.00 178.16 177.36 3d29 h ALA 27 N 1.74 0.17 -0.95 3.88 0.00 -0.61 -2.29 119.26 121.20 3d29 h ALA 27 Ca -0.00 -0.24 0.16 0.00 0.00 0.00 0.00 54.91 54.83 3d29 h ALA 27 Cb 0.65 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.30 3d29 h ALA 27 CO 0.03 -0.08 0.55 0.74 0.00 0.00 0.00 179.25 180.50 3d29 h PHE 28 N -0.09 0.97 -0.69 0.00 0.04 -0.93 0.16 116.94 116.41 3d29 h PHE 28 Ca 0.03 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.84 3d29 h PHE 28 Cb 0.47 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.30 3d29 h PHE 28 CO 0.06 0.25 0.46 -0.22 -0.60 0.00 0.00 178.31 178.25 3d29 h LYS 29 N 0.75 0.89 0.00 1.51 1.63 -0.96 -1.75 116.57 118.65 3d29 h LYS 29 Ca 0.52 -0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 60.22 3d29 h LYS 29 Cb 0.74 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 32.16 3d29 h LYS 29 CO -0.36 0.59 -0.22 0.00 -3.45 0.00 0.00 179.45 176.02 3d29 h ALA 30 N 1.57 1.17 -0.12 5.00 0.00 -0.14 -3.00 119.26 123.75 3d29 h ALA 30 Ca 0.25 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3d29 h ALA 30 Cb -0.09 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3d29 h ALA 30 CO -0.06 0.27 0.11 1.79 0.00 0.00 0.00 179.25 181.36 3d29 h THR 31 N 0.00 0.62 -0.01 0.00 1.35 -1.03 -1.39 112.91 112.45 3d29 h THR 31 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3d29 h THR 31 Cb 0.58 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 3d29 h THR 31 CO 0.03 0.00 -0.15 0.59 -0.25 0.00 0.00 175.52 175.74 3d29 n ASN 32 N -4.02 1.10 -0.37 5.36 3.02 -1.13 -3.01 115.26 116.21 3d29 n ASN 32 Ca -0.00 -1.06 0.28 0.00 -0.03 0.00 0.00 54.58 53.78 3d29 n ASN 32 Cb 0.22 0.06 0.56 0.00 -0.61 0.00 0.00 39.78 40.01 3d29 n ASN 32 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 3d29 h GLN 33 N 1.49 0.26 0.00 3.52 4.15 -1.41 0.18 115.11 123.29 3d29 h GLN 33 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3d29 h GLN 33 Cb 0.48 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.11 3d29 h GLN 33 CO 0.00 0.17 0.00 0.25 -1.93 0.00 0.00 178.83 177.32 3d29 n THR 34 N -4.71 0.30 -3.67 2.39 -2.24 -1.26 -4.95 114.28 100.14 3d29 n THR 34 Ca 0.31 -0.03 -0.21 0.00 -2.27 0.00 0.00 64.05 61.84 3d29 n THR 34 Cb 1.11 -0.61 0.04 0.00 -2.10 0.00 0.00 70.33 68.77 3d29 n THR 34 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3d29 n ASN 34 N -1.73 -1.39 -3.89 3.42 4.05 0.63 -4.99 115.26 111.36 3d29 n ASN 34 Ca 0.06 -0.81 -0.15 0.00 0.45 0.00 0.00 54.58 54.13 3d29 n ASN 34 Cb 0.34 -4.14 -0.15 0.00 1.23 0.00 0.00 39.78 37.06 3d29 n ASN 34 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3d29 s ILE 35 N -3.64 0.20 0.11 -1.44 1.01 -1.26 -4.97 121.20 111.21 3d29 s ILE 35 Ca 0.02 -0.06 0.04 0.00 0.00 0.00 0.00 60.65 60.65 3d29 s ILE 35 Cb -0.00 -0.21 -0.04 0.00 0.01 0.00 0.00 42.46 42.22 3d29 s ILE 35 CO 0.81 0.08 0.08 0.20 0.00 0.00 0.00 174.94 176.11 3d29 s ASN 36 N 0.23 5.43 0.05 3.58 0.01 -1.26 -4.37 114.94 118.61 3d29 s ASN 36 Ca -0.02 -0.07 -0.01 0.00 -0.71 0.00 0.00 52.86 52.05 3d29 s ASN 36 Cb -0.05 -1.42 -0.04 0.00 0.41 0.00 0.00 41.25 40.16 3d29 s ASN 36 CO -0.01 0.14 -0.03 -0.94 -1.51 0.00 0.00 177.10 174.76 3d29 s SER 37 N -2.58 0.48 -0.02 -1.22 1.04 0.56 -1.30 113.70 110.66 3d29 s SER 37 Ca 0.29 -0.89 -0.24 0.00 0.48 0.00 0.00 55.95 55.59 3d29 s SER 37 Cb -0.11 0.17 0.05 0.00 0.10 0.00 0.00 66.02 66.23 3d29 s SER 37 CO 0.22 -0.53 0.52 -1.48 0.98 0.00 0.00 173.24 172.95 3d29 s LEU 38 N -2.62 0.00 0.03 2.42 0.05 0.04 -0.37 118.68 118.23 3d29 s LEU 38 Ca 0.02 0.41 0.04 0.00 0.05 0.00 0.00 54.13 54.65 3d29 s LEU 38 Cb 0.04 1.99 -0.02 0.00 -2.05 0.00 0.00 46.19 46.15 3d29 s LEU 38 CO -0.08 -0.56 -0.11 0.00 -0.55 0.00 0.00 176.35 175.05 3d29 s ALA 39 N -1.39 0.89 0.04 1.48 0.00 0.58 -0.59 121.76 122.77 3d29 s ALA 39 Ca -0.11 -0.72 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 3d29 s ALA 39 Cb -0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 3d29 s ALA 39 CO 0.06 0.13 -0.02 0.14 0.00 0.00 0.00 175.76 176.08 3d29 s VAL 40 N -0.90 0.19 -0.15 0.00 -7.23 -0.40 -1.31 120.40 110.60 3d29 s VAL 40 Ca -0.02 -1.53 -0.06 0.00 -1.81 0.00 0.00 61.98 58.57 3d29 s VAL 40 Cb -0.08 -1.17 -0.04 0.00 0.56 0.00 0.00 36.38 35.66 3d29 s VAL 40 CO 0.01 -0.84 0.03 -0.13 -0.31 0.00 0.00 175.10 173.86 3d29 s ARG 41 N -3.23 3.68 0.00 4.82 0.52 -1.23 -1.80 118.95 121.72 3d29 s ARG 41 Ca 0.01 -0.38 0.00 0.00 -0.52 0.00 0.00 55.73 54.84 3d29 s ARG 41 Cb 0.03 -3.07 0.00 0.00 0.52 0.00 0.00 34.95 32.43 3d29 s ARG 41 CO -0.07 0.39 0.00 0.41 0.02 0.00 0.00 175.30 176.04 3d29 n GLY 42 N 3.15 0.71 0.23 -3.53 0.00 0.67 -0.16 105.19 106.26 3d29 n GLY 42 Ca -0.17 -1.90 -0.10 0.00 0.00 0.00 0.00 46.02 43.85 3d29 n GLY 42 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3d29 h LYS 43 N 0.00 0.66 -0.09 1.61 3.64 -1.87 -3.39 116.57 117.14 3d29 h LYS 43 Ca 0.00 -0.38 -0.19 0.00 -1.27 0.00 0.00 60.65 58.81 3d29 h LYS 43 Cb 0.00 0.03 -0.19 0.00 -0.41 0.00 0.00 32.23 31.65 3d29 h LYS 43 CO 0.00 0.99 -0.43 -0.40 -2.27 0.00 0.00 179.45 177.34 3d29 n ASP 44 N -4.00 -0.98 -3.91 4.20 3.85 -1.26 -4.86 116.55 109.59 3d29 n ASP 44 Ca -0.03 -2.23 -0.09 0.00 -0.71 0.00 0.00 54.79 51.74 3d29 n ASP 44 Cb 0.57 0.52 -0.04 0.00 -1.35 0.00 0.00 41.12 40.81 3d29 n ASP 44 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3d29 s THR 46 N -3.96 -0.02 -0.01 0.00 2.01 0.11 -0.23 115.64 113.53 3d29 s THR 46 Ca 0.17 0.09 0.06 0.00 0.31 0.00 0.00 61.69 62.32 3d29 s THR 46 Cb -0.02 -0.05 -0.02 0.00 0.01 0.00 0.00 72.50 72.43 3d29 s THR 46 CO 0.05 0.04 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.13 3d29 s VAL 47 N 0.44 1.56 -0.06 3.82 1.01 -0.74 -0.15 120.40 126.29 3d29 s VAL 47 Ca -0.04 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.08 3d29 s VAL 47 Cb -0.05 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 35.03 3d29 s VAL 47 CO -0.01 0.41 -0.11 0.68 0.00 0.00 0.00 175.10 176.06 3d29 s VAL 48 N -0.50 1.05 0.02 2.92 -7.23 -0.57 -1.27 120.40 114.81 3d29 s VAL 48 Ca 0.08 -0.44 0.08 0.00 -1.81 0.00 0.00 61.98 59.89 3d29 s VAL 48 Cb -0.08 -0.96 -0.03 0.00 0.56 0.00 0.00 36.38 35.87 3d29 s VAL 48 CO -0.00 0.33 -0.25 -0.63 -0.31 0.00 0.00 175.10 174.24 3d29 s ILE 49 N 0.60 2.17 -0.07 -0.62 1.09 0.24 -1.17 121.20 123.45 3d29 s ILE 49 Ca -0.13 -1.25 -0.07 0.00 -1.10 0.00 0.00 60.65 58.10 3d29 s ILE 49 Cb -0.15 -1.81 0.02 0.00 -1.06 0.00 0.00 42.46 39.46 3d29 s ILE 49 CO 0.03 0.46 0.20 -0.55 -0.10 0.00 0.00 174.94 174.97 3d29 s SER 50 N -0.99 -0.20 0.64 3.58 0.15 -0.31 -0.78 113.70 115.79 3d29 s SER 50 Ca 0.11 0.36 -0.17 0.00 0.70 0.00 0.00 55.95 56.96 3d29 s SER 50 Cb -0.10 0.40 -0.01 0.00 -1.71 0.00 0.00 66.02 64.60 3d29 s SER 50 CO 0.01 -0.09 1.15 -1.10 1.20 0.00 0.00 173.24 174.41 3d29 s GLN 51 N -0.00 2.79 -0.08 5.44 -0.21 -0.42 -0.37 119.66 126.81 3d29 s GLN 51 Ca -0.01 1.59 -0.01 0.00 0.02 0.00 0.00 55.36 56.95 3d29 s GLN 51 Cb -0.02 -1.93 0.03 0.00 1.00 0.00 0.00 33.01 32.09 3d29 s GLN 51 CO 0.00 -1.29 -0.03 0.21 -2.12 0.00 0.00 175.29 172.06 3d29 s LYS 52 N -3.76 0.93 -0.38 2.91 2.20 0.64 -4.71 119.74 117.57 3d29 s LYS 52 Ca 0.72 -0.04 0.02 0.00 -0.36 0.00 0.00 55.97 56.30 3d29 s LYS 52 Cb -0.25 -1.14 0.12 0.00 -1.51 0.00 0.00 37.83 35.05 3d29 s LYS 52 CO 0.38 -0.25 0.16 0.15 -0.36 0.00 0.00 175.35 175.42 3d29 s LYS 53 N 1.72 1.18 -0.70 4.03 1.02 -1.26 -4.36 119.74 121.37 3d29 s LYS 53 Ca 0.02 -1.71 -0.10 0.00 0.02 0.00 0.00 55.97 54.21 3d29 s LYS 53 Cb -0.13 -2.45 0.18 0.00 -0.52 0.00 0.00 37.83 34.91 3d29 s LYS 53 CO -0.05 -1.06 0.59 0.08 -0.92 0.00 0.00 175.35 173.99 3d29 s VAL 54 N 0.84 4.82 -0.01 3.17 1.01 -1.26 -4.94 120.40 124.03 3d29 s VAL 54 Ca 0.14 -2.46 -0.22 0.00 0.00 0.00 0.00 61.98 59.43 3d29 s VAL 54 Cb -0.21 -4.05 -0.13 0.00 0.00 0.00 0.00 36.38 31.99 3d29 s VAL 54 CO -0.10 -0.94 0.95 1.55 0.00 0.00 0.00 175.10 176.56 3d29 h PRO 55 N 7.72 -0.67 -6.75 2.72 0.13 -2.02 -3.45 132.00 129.68 3d29 h PRO 55 Ca -0.00 0.05 -0.57 0.00 -0.87 0.00 0.00 66.00 64.61 3d29 h PRO 55 Cb 1.02 0.15 0.11 0.00 0.13 0.00 0.00 31.00 32.41 3d29 h PRO 55 CO 0.78 -0.40 0.55 -3.47 -0.23 0.00 0.00 178.00 175.23 3d29 n ASP 56 N -5.25 2.89 0.10 1.44 -0.08 -1.26 -4.89 116.55 109.51 3d29 n ASP 56 Ca -0.10 1.20 0.12 0.00 -1.51 0.00 0.00 54.79 54.51 3d29 n ASP 56 Cb 0.30 -1.49 0.15 0.00 2.34 0.00 0.00 41.12 42.41 3d29 n ASP 56 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3d29 h LYS 57 N 2.83 0.00 -0.00 -0.67 1.57 -2.05 -3.28 116.57 114.96 3d29 h LYS 57 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3d29 h LYS 57 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3d29 h LYS 57 CO 0.65 0.00 -0.01 1.28 -0.57 0.00 0.00 179.45 180.79 3d29 n LEU 58 N -2.46 0.01 -4.86 2.94 4.77 -1.26 -4.86 117.00 111.28 3d29 n LEU 58 Ca 0.03 0.44 -0.31 0.00 -0.03 0.00 0.00 56.01 56.14 3d29 n LEU 58 Cb 0.49 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 3d29 n LEU 58 CO 0.36 0.00 0.56 -0.76 -1.33 0.00 0.00 177.39 176.23 3d29 s LEU 59 N -2.91 3.69 -0.54 2.23 1.43 -1.24 -5.02 118.68 116.32 3d29 s LEU 59 Ca 0.17 1.33 -0.17 0.00 -1.03 0.00 0.00 54.13 54.43 3d29 s LEU 59 Cb 0.19 -4.25 0.11 0.00 0.03 0.00 0.00 46.19 42.27 3d29 s LEU 59 CO 0.52 -0.52 0.53 -0.62 0.23 0.00 0.00 176.35 176.48 3d29 s ASP 60 N -3.24 6.18 0.53 2.29 3.68 -1.26 -4.93 116.67 119.93 3d29 s ASP 60 Ca 0.55 -1.60 0.39 0.00 2.13 0.00 0.00 52.55 54.02 3d29 s ASP 60 Cb -0.10 -2.23 1.57 0.00 -1.45 0.00 0.00 42.92 40.71 3d29 s ASP 60 CO 0.34 -0.87 1.74 -0.65 0.13 0.00 0.00 175.17 175.85 3d29 h PRO 61 N 8.93 0.02 0.00 4.34 0.11 -1.95 0.85 132.00 144.30 3d29 h PRO 61 Ca -0.29 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3d29 h PRO 61 Cb 1.10 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3d29 h PRO 61 CO 1.02 0.02 0.00 0.25 -0.21 0.00 0.00 178.00 179.08 3d29 n THR 62 N -4.17 0.79 0.60 -1.15 -2.24 -1.26 -2.60 114.28 104.25 3d29 n THR 62 Ca 0.31 0.15 0.12 0.00 -2.27 0.00 0.00 64.05 62.35 3d29 n THR 62 Cb 1.42 -1.07 0.18 0.00 -2.10 0.00 0.00 70.33 68.76 3d29 n THR 62 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3d29 n THR 63 N -2.24 0.30 -3.67 4.28 -2.24 0.29 -4.88 114.28 106.12 3d29 n THR 63 Ca 0.03 -0.64 -0.37 0.00 -2.27 0.00 0.00 64.05 60.79 3d29 n THR 63 Cb 0.26 1.16 -0.12 0.00 -2.10 0.00 0.00 70.33 69.54 3d29 n THR 63 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3d29 s VAL 64 N -1.70 4.80 -0.11 2.28 1.01 -1.07 -5.06 120.40 120.55 3d29 s VAL 64 Ca 0.35 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.00 3d29 s VAL 64 Cb 0.22 -3.28 0.10 0.00 0.00 0.00 0.00 36.38 33.42 3d29 s VAL 64 CO 0.31 0.28 0.84 -0.55 0.00 0.00 0.00 175.10 175.98 3d29 s SER 65 N 1.68 -0.52 -0.12 3.32 0.15 -1.26 -5.02 113.70 111.93 3d29 s SER 65 Ca 0.07 0.59 0.15 0.00 0.70 0.00 0.00 55.95 57.46 3d29 s SER 65 Cb -0.16 0.45 0.28 0.00 -1.71 0.00 0.00 66.02 64.88 3d29 s SER 65 CO 0.07 -0.47 1.14 -1.22 1.20 0.00 0.00 173.24 173.97 3d29 n TYR 66 N 0.88 0.00 -5.05 3.44 4.02 -1.26 -4.99 117.16 114.20 3d29 n TYR 66 Ca -0.15 -0.93 -0.32 0.00 -0.01 0.00 0.00 57.90 56.49 3d29 n TYR 66 Cb 0.57 -0.15 -0.14 0.00 -0.02 0.00 0.00 39.34 39.60 3d29 n TYR 66 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3d29 s ILE 67 N -2.47 2.65 0.01 -0.72 1.01 -1.26 -0.76 121.20 119.66 3d29 s ILE 67 Ca 0.29 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 60.09 3d29 s ILE 67 Cb 0.26 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.71 3d29 s ILE 67 CO 0.01 0.58 -0.07 -0.36 0.00 0.00 0.00 174.94 175.09 3d29 s PHE 68 N -0.55 0.64 -0.56 3.97 0.08 0.27 -4.98 117.98 116.86 3d29 s PHE 68 Ca 0.08 -0.24 -0.18 0.00 0.12 0.00 0.00 56.93 56.71 3d29 s PHE 68 Cb -0.11 -0.40 0.10 0.00 -0.57 0.00 0.00 43.02 42.04 3d29 s PHE 68 CO 0.01 -0.03 0.61 0.00 -0.10 0.00 0.00 175.22 175.71 3d29 h ILE 70 N 5.89 1.63 -3.00 0.00 2.04 -1.41 -3.48 117.51 119.18 3d29 h ILE 70 Ca -0.29 -3.18 0.03 0.00 1.00 0.00 0.00 64.86 62.42 3d29 h ILE 70 Cb 1.09 2.79 -0.03 0.00 -0.74 0.00 0.00 36.82 39.93 3d29 h ILE 70 CO 1.05 0.91 0.25 -0.94 0.00 0.00 0.00 178.15 179.42 3d29 s SER 71 N -6.84 -0.14 0.39 1.72 1.04 -1.06 -4.54 113.70 104.27 3d29 s SER 71 Ca -0.01 -0.84 0.17 0.00 0.48 0.00 0.00 55.95 55.75 3d29 s SER 71 Cb 0.10 0.78 1.07 0.00 0.10 0.00 0.00 66.02 68.07 3d29 s SER 71 CO 0.83 -1.50 1.78 -0.09 0.98 0.00 0.00 173.24 175.24 3d29 h ARG 72 N 2.00 0.41 0.00 4.02 9.65 -1.93 -2.94 114.38 125.59 3d29 h ARG 72 Ca -0.25 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.61 3d29 h ARG 72 Cb 1.25 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.74 3d29 h ARG 72 CO 0.31 0.27 -1.48 0.25 2.80 0.00 0.00 179.97 182.12 3d29 n THR 73 N -4.63 0.00 -3.97 0.20 -2.24 -1.26 -1.24 114.28 101.14 3d29 n THR 73 Ca 0.25 -0.30 -0.35 0.00 -2.27 0.00 0.00 64.05 61.38 3d29 n THR 73 Cb 0.83 0.30 -0.09 0.00 -2.10 0.00 0.00 70.33 69.28 3d29 n THR 73 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3d29 s ILE 74 N -2.85 4.91 0.11 2.28 1.09 -1.11 -4.40 121.20 121.22 3d29 s ILE 74 Ca -0.04 0.01 0.08 0.00 -1.10 0.00 0.00 60.65 59.60 3d29 s ILE 74 Cb 0.09 -3.21 -0.04 0.00 -1.06 0.00 0.00 42.46 38.25 3d29 s ILE 74 CO 0.57 0.47 -0.17 -0.83 -0.10 0.00 0.00 174.94 174.88 3d29 s GLY 75 N 0.24 1.70 -0.03 6.18 0.00 -0.40 -1.00 107.32 114.00 3d29 s GLY 75 Ca 0.05 -1.32 0.01 0.00 0.00 0.00 0.00 44.72 43.46 3d29 s GLY 75 CO 0.00 -1.28 -0.03 -0.29 0.00 0.00 0.00 173.10 171.50 3d29 s MET 76 N -2.07 0.56 -0.07 2.90 1.75 0.10 -0.86 119.30 121.62 3d29 s MET 76 Ca 0.18 -0.03 0.02 0.00 -1.25 0.00 0.00 55.69 54.61 3d29 s MET 76 Cb -0.11 -0.64 -0.02 0.00 2.84 0.00 0.00 34.83 36.90 3d29 s MET 76 CO 0.10 -0.09 -0.12 0.54 -0.65 0.00 0.00 175.02 174.80 3d29 s VAL 77 N 0.86 3.25 -0.12 10.11 0.11 -0.09 0.97 120.40 135.49 3d29 s VAL 77 Ca -0.10 -0.64 0.03 0.00 -2.93 0.00 0.00 61.98 58.34 3d29 s VAL 77 Cb -0.13 -2.31 0.00 0.00 -1.53 0.00 0.00 36.38 32.41 3d29 s VAL 77 CO -0.01 0.58 -0.22 -0.69 -3.33 0.00 0.00 175.10 171.43 3d29 s VAL 78 N -0.53 2.16 -0.42 2.04 1.01 0.06 -0.88 120.40 123.85 3d29 s VAL 78 Ca 0.07 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 60.97 3d29 s VAL 78 Cb -0.12 -1.85 0.05 0.00 0.00 0.00 0.00 36.38 34.47 3d29 s VAL 78 CO 0.02 0.55 0.28 0.20 0.00 0.00 0.00 175.10 176.15 3d29 s ASN 79 N 0.54 5.85 0.00 3.32 -0.87 -0.29 -4.87 114.94 118.62 3d29 s ASN 79 Ca -0.13 -1.23 0.00 0.00 -1.57 0.00 0.00 52.86 49.93 3d29 s ASN 79 Cb -0.17 -2.07 0.00 0.00 -0.02 0.00 0.00 41.25 38.99 3d29 s ASN 79 CO 0.04 -0.51 0.00 0.61 -2.57 0.00 0.00 177.10 174.67 3d29 n GLY 80 N 5.04 1.16 3.55 0.66 0.00 -1.16 -1.30 105.19 113.14 3d29 n GLY 80 Ca -0.11 -1.44 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 3d29 n GLY 80 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3d29 n PRO 81 N -1.37 0.90 -0.06 1.61 -0.02 -1.26 -4.78 135.00 130.03 3d29 n PRO 81 Ca 0.00 0.33 -0.06 0.00 -2.02 0.00 0.00 63.50 61.75 3d29 n PRO 81 Cb 0.00 -1.90 0.13 0.00 -0.02 0.00 0.00 33.50 31.71 3d29 n PRO 81 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3d29 h ILE 82 N 0.83 1.27 -0.49 4.25 6.09 -1.97 -1.43 117.51 126.05 3d29 h ILE 82 Ca -0.45 -1.30 -0.03 0.00 -1.37 0.00 0.00 64.86 61.71 3d29 h ILE 82 Cb 1.37 1.24 -0.02 0.00 0.47 0.00 0.00 36.82 39.88 3d29 h ILE 82 CO 0.52 0.43 0.18 1.55 -3.07 0.00 0.00 178.15 177.76 3d29 h PRO 83 N 0.60 0.75 -0.39 2.19 0.13 -2.00 0.21 132.00 133.49 3d29 h PRO 83 Ca 0.09 -0.15 -0.08 0.00 -0.87 0.00 0.00 66.00 64.99 3d29 h PRO 83 Cb 0.70 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.70 3d29 h PRO 83 CO 0.05 0.68 -0.10 -0.44 -0.23 0.00 0.00 178.00 177.96 3d29 h ASP 84 N 0.66 0.68 -0.25 1.44 3.45 -1.94 -1.87 116.42 118.58 3d29 h ASP 84 Ca 0.16 -0.19 0.04 0.00 0.43 0.00 0.00 57.03 57.47 3d29 h ASP 84 Cb 0.23 -0.18 -0.04 0.00 -0.56 0.00 0.00 39.33 38.78 3d29 h ASP 84 CO -0.01 0.81 0.00 0.00 -1.57 0.00 0.00 179.24 178.47 3d29 h ALA 85 N 1.25 0.22 -0.16 3.45 0.00 -0.52 -1.52 119.26 121.99 3d29 h ALA 85 Ca 0.11 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3d29 h ALA 85 Cb 0.55 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3d29 h ALA 85 CO 0.03 -0.42 -0.38 0.00 0.00 0.00 0.00 179.25 178.49 3d29 h ARG 86 N 0.08 0.34 -0.40 0.00 3.08 -0.38 -1.34 114.38 115.76 3d29 h ARG 86 Ca 0.12 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3d29 h ARG 86 Cb 0.15 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3d29 h ARG 86 CO -0.20 0.67 0.22 -0.97 -1.07 0.00 0.00 179.97 178.62 3d29 h ASN 87 N 0.29 0.50 -0.65 7.04 -0.00 -1.00 -0.59 115.58 121.17 3d29 h ASN 87 Ca 0.03 -0.09 -0.07 0.00 -0.00 0.00 0.00 56.30 56.17 3d29 h ASN 87 Cb 0.80 -0.13 -0.03 0.00 -0.00 0.00 0.00 38.32 38.96 3d29 h ASN 87 CO 0.06 0.45 0.14 0.00 -0.00 0.00 0.00 177.43 178.08 3d29 h ALA 88 N 1.07 0.86 -0.08 1.57 0.00 -0.97 -2.13 119.26 119.58 3d29 h ALA 88 Ca 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3d29 h ALA 88 Cb 0.07 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3d29 h ALA 88 CO -0.02 0.60 0.02 0.00 0.00 0.00 0.00 179.25 179.85 3d29 h ALA 89 N 1.05 0.10 -0.63 0.00 0.00 -1.00 -1.06 119.26 117.73 3d29 h ALA 89 Ca 0.20 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3d29 h ALA 89 Cb 0.39 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3d29 h ALA 89 CO 0.01 -0.29 0.38 1.25 0.00 0.00 0.00 179.25 180.59 3d29 h LEU 90 N -0.07 0.60 -0.18 0.00 5.85 -1.03 -0.91 115.31 119.56 3d29 h LEU 90 Ca 0.02 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3d29 h LEU 90 Cb 0.22 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3d29 h LEU 90 CO -0.00 0.41 0.12 -0.09 -0.34 0.00 0.00 178.44 178.54 3d29 h ARG 91 N 0.73 0.24 -0.71 1.25 9.65 -1.22 -1.39 114.38 122.93 3d29 h ARG 91 Ca 0.26 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 59.12 3d29 h ARG 91 Cb 0.06 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.55 3d29 h ARG 91 CO -0.12 0.18 0.44 0.00 2.80 0.00 0.00 179.97 183.27 3d29 h ALA 92 N 1.05 1.44 -0.38 2.80 0.00 -0.76 0.20 119.26 123.60 3d29 h ALA 92 Ca 0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3d29 h ALA 92 Cb -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3d29 h ALA 92 CO -0.01 0.50 0.08 0.87 0.00 0.00 0.00 179.25 180.68 3d29 h LYS 93 N 0.97 0.62 -0.05 0.00 1.57 -0.85 0.12 116.57 118.95 3d29 h LYS 93 Ca 0.26 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3d29 h LYS 93 Cb -0.06 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 3d29 h LYS 93 CO -0.05 0.67 0.03 0.00 -0.57 0.00 0.00 179.45 179.53 3d29 h ALA 94 N 0.93 0.06 -0.97 3.86 0.00 -0.65 -0.55 119.26 121.94 3d29 h ALA 94 Ca 0.12 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3d29 h ALA 94 Cb 0.34 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 3d29 h ALA 94 CO 0.00 -0.43 0.63 0.93 0.00 0.00 0.00 179.25 180.39 3d29 h GLU 95 N 0.03 1.21 -0.46 0.00 4.39 -0.42 -1.55 114.58 117.77 3d29 h GLU 95 Ca 0.02 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 3d29 h GLU 95 Cb 0.03 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 28.39 3d29 h GLU 95 CO -0.00 0.80 0.09 0.00 -1.16 0.00 0.00 179.01 178.74 3d29 h ALA 96 N 1.39 0.61 -0.40 3.43 0.00 -0.34 -1.34 119.26 122.61 3d29 h ALA 96 Ca 0.38 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 3d29 h ALA 96 Cb -0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3d29 h ALA 96 CO -0.12 0.32 -0.23 0.00 0.00 0.00 0.00 179.25 179.22 3d29 h ALA 97 N 0.97 0.56 -0.14 0.00 0.00 -0.83 -2.76 119.26 117.06 3d29 h ALA 97 Ca 0.14 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3d29 h ALA 97 Cb 0.36 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3d29 h ALA 97 CO 0.01 0.55 0.03 1.49 0.00 0.00 0.00 179.25 181.33 3d29 h GLU 98 N 0.67 0.23 -0.51 0.00 4.81 -1.25 -2.02 114.58 116.51 3d29 h GLU 98 Ca 0.08 -0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.35 3d29 h GLU 98 Cb 0.80 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.07 3d29 h GLU 98 CO 0.07 0.39 0.08 0.35 -0.73 0.00 0.00 179.01 179.16 3d29 h PHE 99 N 0.03 0.12 -0.91 0.92 3.04 -1.25 0.48 116.94 119.37 3d29 h PHE 99 Ca 0.05 0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.04 3d29 h PHE 99 Cb 0.26 0.02 -0.05 0.00 2.56 0.00 0.00 35.95 38.75 3d29 h PHE 99 CO 0.01 -0.04 0.60 -0.09 -2.02 0.00 0.00 178.31 176.77 3d29 h ARG 100 N 0.21 1.17 -0.43 1.11 9.65 -1.31 0.79 114.38 125.56 3d29 h ARG 100 Ca 0.26 -0.07 -0.13 0.00 -1.10 0.00 0.00 59.98 58.94 3d29 h ARG 100 Cb 0.37 -0.26 -0.01 0.00 -1.39 0.00 0.00 29.97 28.67 3d29 h ARG 100 CO -0.36 0.77 -0.24 -0.92 2.80 0.00 0.00 179.97 182.02 3d29 h TYR 101 N 1.20 1.04 0.22 2.20 3.20 -0.52 -1.77 116.97 122.55 3d29 h TYR 101 Ca 0.34 -0.26 -0.31 0.00 3.14 0.00 0.00 58.73 61.65 3d29 h TYR 101 Cb -0.10 -0.24 0.03 0.00 1.54 0.00 0.00 36.73 37.96 3d29 h TYR 101 CO -0.01 1.05 -1.38 0.87 -1.64 0.00 0.00 178.16 177.05 3d29 h LYS 102 N 0.78 0.47 -0.02 1.82 1.57 -0.58 -3.38 116.57 117.23 3d29 h LYS 102 Ca 0.10 -0.80 0.00 0.00 -1.87 0.00 0.00 60.65 58.07 3d29 h LYS 102 Cb 0.80 0.30 0.00 0.00 0.08 0.00 0.00 32.23 33.41 3d29 h LYS 102 CO 0.07 1.38 -0.36 0.66 -0.57 0.00 0.00 179.45 180.63 3d29 n TYR 103 N -3.80 0.00 -0.97 -1.35 4.01 0.24 -4.99 117.16 110.30 3d29 n TYR 103 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 3d29 n TYR 103 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.07 3d29 n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3d29 n GLY 104 N 1.36 0.86 3.19 2.72 0.00 -0.66 -5.00 105.19 107.65 3d29 n GLY 104 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 3d29 n GLY 104 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3d29 s TYR 105 N -3.51 0.43 0.25 1.61 -0.85 -1.25 -5.03 117.35 109.01 3d29 s TYR 105 Ca 0.00 -0.87 -0.30 0.00 -0.52 0.00 0.00 57.07 55.37 3d29 s TYR 105 Cb 0.00 -0.23 -0.10 0.00 0.38 0.00 0.00 41.96 42.01 3d29 s TYR 105 CO 0.00 -0.53 1.50 -0.51 -1.52 0.00 0.00 175.55 174.50 3d29 s ASP 106 N -2.93 6.57 0.13 -0.18 -0.00 -1.26 -3.96 116.67 115.03 3d29 s ASP 106 Ca 0.11 2.73 -0.31 0.00 -0.00 0.00 0.00 52.55 55.09 3d29 s ASP 106 Cb 0.06 -2.62 -0.10 0.00 -0.00 0.00 0.00 42.92 40.26 3d29 s ASP 106 CO -0.06 -0.78 1.67 -0.32 -0.00 0.00 0.00 175.17 175.68 3d29 s MET 107 N -0.15 4.18 0.49 8.23 -2.45 -1.26 -4.95 119.30 123.39 3d29 s MET 107 Ca 0.62 2.43 -0.22 0.00 -1.25 0.00 0.00 55.69 57.27 3d29 s MET 107 Cb -0.44 -3.39 -0.07 0.00 1.25 0.00 0.00 34.83 32.19 3d29 s MET 107 CO 0.42 -0.72 1.16 -2.14 1.05 0.00 0.00 175.02 174.80 3d29 s PRO 108 N 1.99 3.62 0.21 4.11 0.02 -1.26 -4.87 135.00 138.82 3d29 s PRO 108 Ca 0.74 1.74 -0.10 0.00 0.02 0.00 0.00 61.00 63.40 3d29 s PRO 108 Cb -0.44 -2.28 0.31 0.00 0.02 0.00 0.00 34.50 32.11 3d29 s PRO 108 CO 0.33 -0.66 1.69 0.00 -0.33 0.00 0.00 177.00 178.03 3d29 h ASP 110 N 0.21 0.54 -0.36 0.00 -0.00 -1.95 -1.81 116.42 113.04 3d29 h ASP 110 Ca 0.33 -0.14 -0.10 0.00 -0.00 0.00 0.00 57.03 57.12 3d29 h ASP 110 Cb 0.51 -0.14 -0.01 0.00 -0.00 0.00 0.00 39.33 39.69 3d29 h ASP 110 CO -0.46 0.67 -0.15 0.58 -0.00 0.00 0.00 179.24 179.89 3d29 h VAL 111 N 0.52 1.28 -0.64 4.15 2.07 -1.68 -1.16 116.25 120.79 3d29 h VAL 111 Ca 0.10 -1.26 -0.04 0.00 0.82 0.00 0.00 66.70 66.32 3d29 h VAL 111 Cb 0.48 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 3d29 h VAL 111 CO 0.03 0.42 0.25 0.25 0.02 0.00 0.00 177.57 178.53 3d29 h LEU 112 N 0.53 0.85 -0.05 2.57 5.85 -1.11 -0.77 115.31 123.19 3d29 h LEU 112 Ca 0.08 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 3d29 h LEU 112 Cb 0.69 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 3d29 h LEU 112 CO 0.05 0.77 0.02 0.00 -0.34 0.00 0.00 178.44 178.94 3d29 h ALA 113 N 1.36 0.07 -0.73 1.25 0.00 -1.09 -0.42 119.26 119.69 3d29 h ALA 113 Ca 0.22 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3d29 h ALA 113 Cb 0.18 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3d29 h ALA 113 CO -0.02 -0.36 0.44 -0.22 0.00 0.00 0.00 179.25 179.09 3d29 h LYS 114 N -0.06 0.80 -0.38 0.00 3.64 -0.82 0.29 116.57 120.05 3d29 h LYS 114 Ca 0.02 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3d29 h LYS 114 Cb 0.14 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3d29 h LYS 114 CO -0.00 0.53 0.16 -0.09 -2.27 0.00 0.00 179.45 177.79 3d29 h ARG 115 N 0.83 0.56 -0.28 1.90 9.65 -0.87 0.30 114.38 126.47 3d29 h ARG 115 Ca 0.31 -0.09 -0.11 0.00 -1.10 0.00 0.00 59.98 58.99 3d29 h ARG 115 Cb 0.12 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 3d29 h ARG 115 CO -0.15 0.52 -0.30 0.52 2.80 0.00 0.00 179.97 183.37 3d29 h MET 116 N 0.47 0.57 -0.45 0.20 2.86 -0.62 -1.42 114.93 116.54 3d29 h MET 116 Ca 0.13 -0.24 -0.04 0.00 -2.06 0.00 0.00 59.70 57.49 3d29 h MET 116 Cb 0.16 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3d29 h MET 116 CO -0.01 0.80 0.14 0.00 1.06 0.00 0.00 176.91 178.90 3d29 h ALA 117 N 1.19 0.59 -0.83 6.32 0.00 0.03 -1.25 119.26 125.31 3d29 h ALA 117 Ca 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3d29 h ALA 117 Cb 0.76 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3d29 h ALA 117 CO 0.06 0.24 0.43 -0.91 0.00 0.00 0.00 179.25 179.08 3d29 h ASN 118 N 0.59 1.05 -0.61 0.00 -0.26 -0.11 0.00 115.58 116.25 3d29 h ASN 118 Ca 0.14 -0.11 0.04 0.00 -0.56 0.00 0.00 56.30 55.81 3d29 h ASN 118 Cb 0.27 -0.27 -0.04 0.00 -1.06 0.00 0.00 38.32 37.22 3d29 h ASN 118 CO -0.00 0.86 0.36 -0.07 -1.06 0.00 0.00 177.43 177.52 3d29 h LEU 119 N 1.16 0.57 -0.72 1.61 4.07 -0.87 -1.77 115.31 119.36 3d29 h LEU 119 Ca 0.29 0.01 -0.09 0.00 0.08 0.00 0.00 57.88 58.17 3d29 h LEU 119 Cb 0.06 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 41.67 3d29 h LEU 119 CO -0.04 0.39 0.04 0.28 -1.08 0.00 0.00 178.44 178.03 3d29 h SER 120 N 0.70 0.99 -0.99 -0.43 0.02 -0.59 -2.20 113.55 111.05 3d29 h SER 120 Ca 0.25 -0.26 0.14 0.00 -0.84 0.00 0.00 61.79 61.09 3d29 h SER 120 Cb 0.07 -0.26 -0.09 0.00 0.14 0.00 0.00 62.40 62.25 3d29 h SER 120 CO -0.12 1.02 0.62 -0.61 -1.14 0.00 0.00 176.83 176.60 3d29 h GLN 121 N 0.95 0.85 -0.73 3.45 -0.00 -0.17 -1.38 115.11 118.08 3d29 h GLN 121 Ca 0.18 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 58.76 3d29 h GLN 121 Cb 0.49 -0.19 -0.03 0.00 0.00 0.00 0.00 27.48 27.75 3d29 h GLN 121 CO 0.02 0.57 0.41 0.82 0.00 0.00 0.00 178.83 180.64 3d29 h ILE 122 N 0.88 1.22 0.00 2.39 2.04 -0.81 -0.98 117.51 122.25 3d29 h ILE 122 Ca 0.51 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3d29 h ILE 122 Cb 0.65 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 3d29 h ILE 122 CO -0.29 0.24 0.00 -1.22 0.00 0.00 0.00 178.15 176.89 3d29 n TYR 123 N -4.48 0.00 0.07 1.37 4.01 -0.54 -0.58 117.16 117.02 3d29 n TYR 123 Ca 0.06 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.87 3d29 n TYR 123 Cb 0.09 -0.50 -0.04 0.00 -0.31 0.00 0.00 39.34 38.58 3d29 n TYR 123 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3d29 n THR 124 N -1.50 0.85 -0.06 -0.72 -1.04 -0.40 -4.34 114.28 107.07 3d29 n THR 124 Ca 0.02 -0.61 -0.07 0.00 -2.04 0.00 0.00 64.05 61.36 3d29 n THR 124 Cb 0.11 -0.50 -0.09 0.00 -1.82 0.00 0.00 70.33 68.03 3d29 n THR 124 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 3d29 n GLN 125 N -2.76 1.73 -3.42 -2.82 7.27 -0.20 -4.77 117.38 112.41 3d29 n GLN 125 Ca -0.04 0.01 -0.38 0.00 0.07 0.00 0.00 57.00 56.66 3d29 n GLN 125 Cb 0.67 -1.31 -0.06 0.00 2.41 0.00 0.00 30.24 31.95 3d29 n GLN 125 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 3d29 s ARG 126 N -2.29 4.17 0.20 3.69 0.52 0.26 -4.98 118.95 120.52 3d29 s ARG 126 Ca -0.09 0.37 -0.05 0.00 -0.52 0.00 0.00 55.73 55.45 3d29 s ARG 126 Cb 0.04 -3.35 0.14 0.00 0.52 0.00 0.00 34.95 32.30 3d29 s ARG 126 CO 0.47 0.37 1.59 0.00 0.02 0.00 0.00 175.30 177.76 3d29 h ALA 127 N 5.95 0.81 0.00 2.13 0.00 -1.88 -3.25 119.26 123.03 3d29 h ALA 127 Ca -0.45 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.06 3d29 h ALA 127 Cb 1.19 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3d29 h ALA 127 CO 0.70 0.64 0.00 2.48 0.00 0.00 0.00 179.25 183.08 3d29 n TYR 128 N -4.09 0.12 -4.01 0.00 0.18 -1.26 -4.69 117.16 103.42 3d29 n TYR 128 Ca -0.01 0.04 -0.35 0.00 1.88 0.00 0.00 57.90 59.47 3d29 n TYR 128 Cb 0.47 -0.57 -0.10 0.00 -0.38 0.00 0.00 39.34 38.76 3d29 n TYR 128 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 3d29 s MET 129 N -3.03 3.94 0.15 -3.48 -1.94 -1.23 -5.10 119.30 108.62 3d29 s MET 129 Ca 0.11 -0.34 -0.05 0.00 -1.71 0.00 0.00 55.69 53.69 3d29 s MET 129 Cb 0.15 -3.20 -0.06 0.00 2.01 0.00 0.00 34.83 33.73 3d29 s MET 129 CO 0.44 0.30 0.39 -0.98 -0.01 0.00 0.00 175.02 175.15 3d29 s ARG 130 N 0.30 3.64 0.83 2.03 1.70 -1.26 -4.73 118.95 121.45 3d29 s ARG 130 Ca 0.03 -0.05 -0.11 0.00 -0.47 0.00 0.00 55.73 55.13 3d29 s ARG 130 Cb -0.12 -2.84 0.09 0.00 -0.57 0.00 0.00 34.95 31.51 3d29 s ARG 130 CO 0.00 0.46 1.09 -2.14 -1.08 0.00 0.00 175.30 173.64 3d29 s PRO 131 N -2.63 1.77 -0.08 3.89 0.02 -1.26 -4.91 135.00 131.80 3d29 s PRO 131 Ca 0.41 1.08 -0.16 0.00 0.02 0.00 0.00 61.00 62.35 3d29 s PRO 131 Cb -0.12 -1.85 -0.05 0.00 0.02 0.00 0.00 34.50 32.50 3d29 s PRO 131 CO 0.24 -1.96 0.41 -0.51 -0.33 0.00 0.00 177.00 174.85 3d29 s LEU 132 N -6.10 4.35 -1.50 -5.54 1.43 -1.26 -4.96 118.68 105.09 3d29 s LEU 132 Ca 0.62 0.80 -0.10 0.00 -1.03 0.00 0.00 54.13 54.43 3d29 s LEU 132 Cb -0.18 -2.57 -0.10 0.00 0.03 0.00 0.00 46.19 43.36 3d29 s LEU 132 CO 0.57 0.15 3.01 0.61 0.23 0.00 0.00 176.35 180.92 3d29 n GLY 133 N 2.72 4.15 3.13 -3.19 0.00 -1.26 -4.53 105.19 106.21 3d29 n GLY 133 Ca -0.11 -1.47 -0.10 0.00 0.00 0.00 0.00 46.02 44.34 3d29 n GLY 133 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3d29 s VAL 134 N 2.10 0.12 -0.12 1.61 -7.23 -1.26 -3.58 120.40 112.04 3d29 s VAL 134 Ca 0.69 -0.99 0.02 0.00 -1.81 0.00 0.00 61.98 59.90 3d29 s VAL 134 Cb 0.19 -0.84 -0.00 0.00 0.56 0.00 0.00 36.38 36.29 3d29 s VAL 134 CO -0.06 -0.54 -0.20 -0.63 -0.31 0.00 0.00 175.10 173.37 3d29 s ILE 135 N -2.44 2.42 -0.18 -0.62 1.01 -0.42 -3.78 121.20 117.19 3d29 s ILE 135 Ca -0.06 -0.88 -0.04 0.00 0.00 0.00 0.00 60.65 59.66 3d29 s ILE 135 Cb -0.02 -1.97 -0.02 0.00 0.01 0.00 0.00 42.46 40.46 3d29 s ILE 135 CO -0.04 0.54 -0.03 -0.76 0.00 0.00 0.00 174.94 174.66 3d29 s LEU 136 N 0.44 3.19 -0.26 2.97 1.43 0.08 -1.14 118.68 125.39 3d29 s LEU 136 Ca -0.14 -0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 52.74 3d29 s LEU 136 Cb -0.17 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.29 3d29 s LEU 136 CO 0.06 0.12 -0.03 -0.89 0.23 0.00 0.00 176.35 175.84 3d29 s THR 137 N 0.68 3.15 -0.10 5.49 2.01 -0.05 -0.46 115.64 126.36 3d29 s THR 137 Ca -0.02 -0.92 -0.04 0.00 0.31 0.00 0.00 61.69 61.02 3d29 s THR 137 Cb -0.14 -2.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.73 3d29 s THR 137 CO 0.02 0.18 0.07 -0.36 -0.69 0.00 0.00 174.62 173.85 3d29 s PHE 138 N 1.37 3.38 0.03 4.92 0.40 0.11 -0.91 117.98 127.27 3d29 s PHE 138 Ca 0.01 0.36 -0.02 0.00 -0.60 0.00 0.00 56.93 56.69 3d29 s PHE 138 Cb -0.17 -1.86 -0.02 0.00 0.51 0.00 0.00 43.02 41.48 3d29 s PHE 138 CO -0.03 0.60 -0.00 0.14 0.70 0.00 0.00 175.22 176.63 3d29 s VAL 139 N -0.96 0.14 -0.02 -0.44 -7.23 -0.04 -1.26 120.40 110.58 3d29 s VAL 139 Ca 0.14 -1.15 -0.29 0.00 -1.81 0.00 0.00 61.98 58.87 3d29 s VAL 139 Cb -0.12 -0.69 0.10 0.00 0.56 0.00 0.00 36.38 36.24 3d29 s VAL 139 CO 0.03 -0.64 1.29 -0.94 -0.31 0.00 0.00 175.10 174.54 3d29 s SER 140 N -1.93 -0.00 -0.56 4.85 1.04 -1.07 -1.28 113.70 114.75 3d29 s SER 140 Ca -0.08 -0.18 0.04 0.00 0.48 0.00 0.00 55.95 56.20 3d29 s SER 140 Cb -0.04 0.13 0.14 0.00 0.10 0.00 0.00 66.02 66.35 3d29 s SER 140 CO -0.04 -0.27 0.31 -0.69 0.98 0.00 0.00 173.24 173.54 3d29 s VAL 141 N -2.06 2.71 0.40 5.02 1.01 -1.26 -0.19 120.40 126.04 3d29 s VAL 141 Ca 0.28 -3.47 -0.26 0.00 0.00 0.00 0.00 61.98 58.52 3d29 s VAL 141 Cb 0.00 -2.86 -0.10 0.00 0.00 0.00 0.00 36.38 33.43 3d29 s VAL 141 CO -0.01 -0.84 1.36 -0.67 0.00 0.00 0.00 175.10 174.93 3d29 n ASP 142 N 2.93 3.02 0.28 3.32 2.03 -0.30 -4.61 116.55 123.22 3d29 n ASP 142 Ca 0.08 1.15 0.17 0.00 0.52 0.00 0.00 54.79 56.71 3d29 n ASP 142 Cb 0.33 -1.55 0.77 0.00 -0.72 0.00 0.00 41.12 39.96 3d29 n ASP 142 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3d29 h GLU 143 N 2.39 0.00 0.00 -0.67 4.11 -1.98 -0.38 114.58 118.05 3d29 h GLU 143 Ca -0.49 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 58.69 3d29 h GLU 143 Cb 1.28 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.48 3d29 h GLU 143 CO 0.61 0.05 -1.95 0.39 0.07 0.00 0.00 179.01 178.19 3d29 n GLU 14 N -3.23 1.18 -0.00 1.06 1.02 -1.26 -4.74 120.64 114.66 3d29 n GLU 14 Ca -0.01 0.04 0.08 0.00 -0.02 0.00 0.00 57.16 57.26 3d29 n GLU 14 Cb 0.26 -1.34 -0.10 0.00 -0.02 0.00 0.00 31.44 30.23 3d29 n GLU 14 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3d29 n LEU 144 N -2.73 0.83 0.00 -4.62 4.77 -1.22 -5.11 117.00 108.92 3d29 n LEU 144 Ca -0.26 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 3d29 n LEU 144 Cb 0.89 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.98 3d29 n LEU 144 CO 0.23 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3d29 n GLY 145 N 1.42 -1.50 3.57 -0.72 0.00 -0.16 -4.84 105.19 102.97 3d29 n GLY 145 Ca 0.03 -1.31 -0.51 0.00 0.00 0.00 0.00 46.02 44.24 3d29 n GLY 145 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3d29 n PRO 146 N -0.04 0.99 -3.98 1.61 -0.02 -1.26 -1.15 135.00 131.15 3d29 n PRO 146 Ca 0.00 0.36 -0.15 0.00 -2.02 0.00 0.00 63.50 61.69 3d29 n PRO 146 Cb 0.00 -1.89 -0.15 0.00 -0.02 0.00 0.00 33.50 31.44 3d29 n PRO 146 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3d29 s SER 147 N 0.14 0.31 -0.14 2.55 0.01 0.74 -4.86 113.70 112.46 3d29 s SER 147 Ca 0.79 -0.04 -0.00 0.00 1.31 0.00 0.00 55.95 58.01 3d29 s SER 147 Cb -0.94 -0.07 0.03 0.00 0.21 0.00 0.00 66.02 65.25 3d29 s SER 147 CO 0.51 -0.00 -0.08 -0.63 0.41 0.00 0.00 173.24 173.44 3d29 s ILE 148 N 0.21 1.17 -0.05 1.44 -1.09 -1.26 -2.60 121.20 119.01 3d29 s ILE 148 Ca -0.02 -0.46 0.00 0.00 -2.23 0.00 0.00 60.65 57.95 3d29 s ILE 148 Cb -0.04 -1.20 0.02 0.00 -1.58 0.00 0.00 42.46 39.66 3d29 s ILE 148 CO -0.01 0.32 -0.03 -0.31 -1.23 0.00 0.00 174.94 173.69 3d29 s TYR 149 N 1.64 0.73 -0.03 3.97 2.02 -0.39 -1.11 117.35 124.18 3d29 s TYR 149 Ca 0.04 -0.20 0.07 0.00 -0.37 0.00 0.00 57.07 56.60 3d29 s TYR 149 Cb -0.13 -0.71 -0.02 0.00 -0.40 0.00 0.00 41.96 40.70 3d29 s TYR 149 CO -0.09 -0.24 -0.23 0.21 -1.57 0.00 0.00 175.55 173.63 3d29 s LYS 150 N 1.28 1.96 0.04 -0.62 2.20 -1.11 0.04 119.74 123.52 3d29 s LYS 150 Ca -0.05 -0.82 0.07 0.00 -0.36 0.00 0.00 55.97 54.81 3d29 s LYS 150 Cb -0.14 -1.84 -0.02 0.00 -1.51 0.00 0.00 37.83 34.32 3d29 s LYS 150 CO -0.02 0.46 -0.21 0.95 -0.36 0.00 0.00 175.35 176.17 3d29 s THR 151 N -0.44 1.66 0.46 3.43 -4.23 0.39 -3.09 115.64 113.82 3d29 s THR 151 Ca 0.06 -1.18 0.05 0.00 -1.18 0.00 0.00 61.69 59.44 3d29 s THR 151 Cb -0.10 -1.44 -0.04 0.00 1.34 0.00 0.00 72.50 72.27 3d29 s THR 151 CO 0.00 0.22 0.08 1.51 -0.54 0.00 0.00 174.62 175.89 3d29 s ASP 152 N -1.14 4.15 0.00 3.99 1.47 -0.95 -0.74 116.67 123.45 3d29 s ASP 152 Ca 0.07 -1.40 0.04 0.00 1.18 0.00 0.00 52.55 52.45 3d29 s ASP 152 Cb -0.09 -0.00 0.25 0.00 -0.34 0.00 0.00 42.92 42.74 3d29 s ASP 152 CO 0.02 -0.68 0.87 -2.65 0.68 0.00 0.00 175.17 173.41 3d29 n PRO 153 N -1.21 0.10 0.00 2.11 -0.02 -1.25 -1.52 135.00 133.22 3d29 n PRO 153 Ca -0.09 0.13 0.12 0.00 -2.02 0.00 0.00 63.50 61.64 3d29 n PRO 153 Cb 0.66 -1.50 0.14 0.00 -0.02 0.00 0.00 33.50 32.78 3d29 n PRO 153 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d29 n ALA 154 N -1.15 3.13 -0.84 3.55 0.00 -1.26 -4.84 120.51 119.09 3d29 n ALA 154 Ca 0.03 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.87 3d29 n ALA 154 Cb 0.03 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3d29 n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d29 n GLY 155 N 1.37 0.49 3.91 0.00 0.00 -0.57 -4.60 105.19 105.78 3d29 n GLY 155 Ca 0.12 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 3d29 n GLY 155 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3d29 s TYR 156 N -2.00 3.52 -0.01 1.61 6.14 -1.26 -4.66 117.35 120.68 3d29 s TYR 156 Ca 0.00 0.36 -0.29 0.00 0.64 0.00 0.00 57.07 57.78 3d29 s TYR 156 Cb 0.00 -1.85 0.07 0.00 0.42 0.00 0.00 41.96 40.61 3d29 s TYR 156 CO 0.00 0.56 0.68 1.52 0.64 0.00 0.00 175.55 178.95 3d29 s TYR 157 N -1.51 -0.62 0.19 4.97 1.13 -1.26 -2.24 117.35 118.01 3d29 s TYR 157 Ca 0.35 0.94 -0.22 0.00 -1.41 0.00 0.00 57.07 56.73 3d29 s TYR 157 Cb -0.13 0.44 0.05 0.00 -1.10 0.00 0.00 41.96 41.23 3d29 s TYR 157 CO 0.25 -0.65 0.61 0.54 -2.51 0.00 0.00 175.55 173.79 3d29 s VAL 158 N -1.73 0.01 0.22 -3.49 0.11 -1.18 -5.00 120.40 109.34 3d29 s VAL 158 Ca -0.08 -0.32 -0.12 0.00 -2.93 0.00 0.00 61.98 58.53 3d29 s VAL 158 Cb -0.00 -1.28 -0.07 0.00 -1.53 0.00 0.00 36.38 33.49 3d29 s VAL 158 CO 0.05 -0.03 0.58 -0.83 -3.33 0.00 0.00 175.10 171.54 3d29 s GLY 159 N -2.80 2.33 0.16 6.54 0.00 -1.26 -2.75 107.32 109.53 3d29 s GLY 159 Ca 0.04 -0.19 0.06 0.00 0.00 0.00 0.00 44.72 44.63 3d29 s GLY 159 CO -0.08 -0.01 -0.13 -0.19 0.00 0.00 0.00 173.10 172.69 3d29 s TYR 160 N -1.76 1.49 0.08 1.90 1.51 -0.26 -5.00 117.35 115.31 3d29 s TYR 160 Ca 0.46 -0.61 -0.05 0.00 -1.01 0.00 0.00 57.07 55.86 3d29 s TYR 160 Cb -0.12 -0.74 -0.26 0.00 -0.11 0.00 0.00 41.96 40.73 3d29 s TYR 160 CO 0.20 0.21 1.16 0.87 -1.11 0.00 0.00 175.55 176.88 3d29 h LYS 161 N 3.00 0.32 -2.22 -0.62 1.57 -1.89 -3.38 116.57 113.35 3d29 h LYS 161 Ca -0.39 -0.50 0.16 0.00 -1.87 0.00 0.00 60.65 58.05 3d29 h LYS 161 Cb 1.20 0.18 -0.12 0.00 0.08 0.00 0.00 32.23 33.57 3d29 h LYS 161 CO 0.58 1.22 0.52 0.00 -0.57 0.00 0.00 179.45 181.20 3d29 s ALA 162 N -2.75 -1.79 0.13 3.86 0.00 -1.26 -3.46 121.76 116.49 3d29 s ALA 162 Ca -0.05 0.66 -0.25 0.00 0.00 0.00 0.00 51.96 52.32 3d29 s ALA 162 Cb 0.07 0.48 0.07 0.00 0.00 0.00 0.00 23.12 23.74 3d29 s ALA 162 CO 0.89 -0.85 0.79 -0.08 0.00 0.00 0.00 175.76 176.51 3d29 s THR 163 N -3.12 0.00 0.03 0.00 -1.32 -0.43 -4.97 115.64 105.83 3d29 s THR 163 Ca 0.09 -0.34 -0.04 0.00 -1.21 0.00 0.00 61.69 60.18 3d29 s THR 163 Cb -0.01 -1.42 -0.01 0.00 -1.51 0.00 0.00 72.50 69.55 3d29 s THR 163 CO -0.04 0.00 0.06 0.00 -2.21 0.00 0.00 174.62 172.43 3d29 s ALA 164 N -3.49 -0.01 -0.09 11.08 0.00 -1.26 -0.31 121.76 127.68 3d29 s ALA 164 Ca 0.07 -0.54 -0.12 0.00 0.00 0.00 0.00 51.96 51.37 3d29 s ALA 164 Cb -0.02 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.32 3d29 s ALA 164 CO -0.05 -0.26 0.31 0.99 0.00 0.00 0.00 175.76 176.75 3d29 s THR 165 N -2.17 0.02 -3.49 0.00 2.01 0.50 -4.91 115.64 107.59 3d29 s THR 165 Ca -0.09 -0.13 0.00 0.00 0.31 0.00 0.00 61.69 61.78 3d29 s THR 165 Cb -0.04 -0.48 0.00 0.00 0.01 0.00 0.00 72.50 71.99 3d29 s THR 165 CO -0.03 -0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.44 3d29 n GLY 166 N 2.50 0.86 0.37 4.40 0.00 -1.26 -0.32 105.19 111.73 3d29 n GLY 166 Ca -0.15 -2.05 0.09 0.00 0.00 0.00 0.00 46.02 43.91 3d29 n GLY 166 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3d29 h PRO 167 N 7.69 0.82 -0.84 1.61 0.11 -1.88 -2.61 132.00 136.91 3d29 h PRO 167 Ca 0.00 -0.05 -0.57 0.00 0.11 0.00 0.00 66.00 65.49 3d29 h PRO 167 Cb 0.00 -0.19 -0.33 0.00 0.11 0.00 0.00 31.00 30.60 3d29 h PRO 167 CO 0.00 0.54 0.10 1.63 -0.21 0.00 0.00 178.00 180.07 3d29 n LYS 168 N -4.56 2.95 -0.13 1.05 5.02 -1.26 -4.73 118.16 116.50 3d29 n LYS 168 Ca 0.16 -3.62 -0.04 0.00 -2.02 0.00 0.00 58.31 52.80 3d29 n LYS 168 Cb 0.36 -2.23 0.04 0.00 -0.02 0.00 0.00 35.03 33.18 3d29 n LYS 168 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 3d29 h GLN 169 N 1.93 0.22 -0.97 1.97 -0.00 -1.77 -2.86 115.11 113.63 3d29 h GLN 169 Ca 0.48 -0.01 0.04 0.00 -0.00 0.00 0.00 58.65 59.16 3d29 h GLN 169 Cb 1.27 -0.05 -0.06 0.00 0.00 0.00 0.00 27.48 28.64 3d29 h GLN 169 CO 1.13 0.14 0.64 0.37 0.00 0.00 0.00 178.83 181.11 3d29 h GLN 170 N 0.22 1.17 -0.05 1.69 5.75 -1.86 0.03 115.11 122.06 3d29 h GLN 170 Ca 0.21 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.64 3d29 h GLN 170 Cb 0.26 -0.26 -0.00 0.00 1.07 0.00 0.00 27.48 28.55 3d29 h GLN 170 CO -0.28 0.77 0.02 0.93 -2.65 0.00 0.00 178.83 177.63 3d29 h GLU 171 N 1.20 0.07 -0.38 1.69 3.07 -1.86 -1.82 114.58 116.56 3d29 h GLU 171 Ca 0.40 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 59.14 3d29 h GLU 171 Cb 0.05 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 3d29 h GLU 171 CO -0.13 0.15 -0.19 0.82 -1.40 0.00 0.00 179.01 178.26 3d29 h ILE 172 N -0.03 1.26 0.29 3.13 2.04 -1.38 -2.45 117.51 120.38 3d29 h ILE 172 Ca 0.02 -1.26 -0.01 0.00 1.00 0.00 0.00 64.86 64.61 3d29 h ILE 172 Cb 0.10 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 3d29 h ILE 172 CO -0.00 0.42 -0.14 0.74 0.00 0.00 0.00 178.15 179.17 3d29 h THR 173 N 0.64 0.75 -0.98 -0.27 2.02 -0.82 -1.84 112.91 112.41 3d29 h THR 173 Ca 0.10 -0.38 0.03 0.00 0.77 0.00 0.00 66.41 66.93 3d29 h THR 173 Cb 0.67 0.96 -0.06 0.00 -1.74 0.00 0.00 68.15 67.98 3d29 h THR 173 CO 0.05 0.08 0.64 0.71 0.37 0.00 0.00 175.52 177.37 3d29 h THR 174 N -0.59 1.18 0.01 3.16 1.35 -1.36 0.31 112.91 116.97 3d29 h THR 174 Ca -0.04 -0.43 0.03 0.00 -0.55 0.00 0.00 66.41 65.42 3d29 h THR 174 Cb 0.43 -0.18 -0.04 0.00 -1.73 0.00 0.00 68.15 66.63 3d29 h THR 174 CO 0.07 0.23 -0.22 -1.13 -0.25 0.00 0.00 175.52 174.21 3d29 h ASN 175 N 1.25 -0.65 -0.54 5.36 -0.73 -1.33 0.11 115.58 119.05 3d29 h ASN 175 Ca 0.39 0.09 -0.01 0.00 1.87 0.00 0.00 56.30 58.64 3d29 h ASN 175 Cb -0.01 0.27 -0.03 0.00 0.27 0.00 0.00 38.32 38.82 3d29 h ASN 175 CO -0.12 -0.29 0.31 -0.07 -0.37 0.00 0.00 177.43 176.89 3d29 h LEU 176 N -0.36 0.66 -0.42 0.34 3.38 -0.57 -2.08 115.31 116.26 3d29 h LEU 176 Ca 0.06 -0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.04 3d29 h LEU 176 Cb 0.43 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.93 3d29 h LEU 176 CO -0.19 0.54 -0.12 -0.33 0.09 0.00 0.00 178.44 178.42 3d29 h GLU 177 N 0.72 -0.02 -0.24 1.13 5.08 0.14 -1.38 114.58 120.01 3d29 h GLU 177 Ca 0.19 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.58 3d29 h GLU 177 Cb 0.02 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 3d29 h GLU 177 CO -0.03 -0.02 0.07 -0.91 -1.00 0.00 0.00 179.01 177.12 3d29 h ASN 178 N -0.02 0.06 -0.88 1.42 -0.26 -0.64 -2.16 115.58 113.09 3d29 h ASN 178 Ca 0.20 0.03 0.10 0.00 -0.56 0.00 0.00 56.30 56.07 3d29 h ASN 178 Cb 0.33 0.03 -0.06 0.00 -1.06 0.00 0.00 38.32 37.56 3d29 h ASN 178 CO -0.45 0.07 0.57 -0.74 -1.06 0.00 0.00 177.43 175.82 3d29 h HIS 179 N 0.17 0.94 0.00 1.19 2.76 -0.63 -1.79 115.15 117.79 3d29 h HIS 179 Ca 0.11 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 3d29 h HIS 179 Cb 0.09 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 28.74 3d29 h HIS 179 CO -0.14 0.43 0.00 1.19 -1.30 0.00 0.00 177.93 178.12 3d29 n PHE 17 N -4.53 0.00 0.00 5.26 3.72 -0.61 -0.90 117.46 120.41 3d29 n PHE 17 Ca 0.15 -0.81 0.00 0.00 -0.05 0.00 0.00 57.45 56.74 3d29 n PHE 17 Cb 0.31 -0.45 0.00 0.00 -0.94 0.00 0.00 39.48 38.40 3d29 n PHE 17 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3d29 n LYS 17 N 1.58 0.00 0.26 -1.08 4.81 -0.67 -0.53 118.16 122.52 3d29 n LYS 17 Ca 0.00 0.00 0.16 0.00 -0.87 0.00 0.00 58.31 57.60 3d29 n LYS 17 Cb 0.41 0.00 0.87 0.00 0.02 0.00 0.00 35.03 36.33 3d29 n LYS 17 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3d29 h SER 17 N 0.00 0.00 0.00 3.14 4.64 -1.29 -3.45 113.55 116.59 3d29 h SER 17 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d29 h SER 17 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3d29 h SER 17 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 3d29 n LYS 17 N -3.87 -0.01 -4.28 4.77 5.02 0.31 -4.97 118.16 115.14 3d29 n LYS 17 Ca -0.01 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.01 3d29 n LYS 17 Cb 0.18 -3.68 -0.09 0.00 -0.02 0.00 0.00 35.03 31.41 3d29 n LYS 17 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3d29 s ILE 18 N -2.22 3.19 -0.35 -0.18 -4.36 -1.26 -5.04 121.20 110.98 3d29 s ILE 18 Ca 0.00 -1.59 0.04 0.00 -0.26 0.00 0.00 60.65 58.83 3d29 s ILE 18 Cb 0.00 -2.56 0.36 0.00 1.25 0.00 0.00 42.46 41.51 3d29 s ILE 18 CO 0.00 -0.07 1.36 -0.90 0.24 0.00 0.00 174.94 175.57 3d29 n ASP 18 N 0.18 3.38 -3.78 4.36 5.75 -1.26 -4.84 116.55 120.33 3d29 n ASP 18 Ca -0.11 -2.70 -0.05 0.00 -0.01 0.00 0.00 54.79 51.92 3d29 n ASP 18 Cb 0.55 -0.65 -0.02 0.00 -1.03 0.00 0.00 41.12 39.98 3d29 n ASP 18 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 3d29 s HIS 18 N -1.72 -0.15 -0.53 2.11 -3.43 -1.26 -4.81 115.29 105.50 3d29 s HIS 18 Ca 0.28 -0.22 -0.24 0.00 -0.80 0.00 0.00 55.06 54.08 3d29 s HIS 18 Cb 0.23 0.67 0.04 0.00 -1.43 0.00 0.00 32.58 32.09 3d29 s HIS 18 CO 0.06 -0.98 0.90 0.42 -2.00 0.00 0.00 174.74 173.14 3d29 s ILE 18 N -3.49 4.45 -0.29 -5.38 -1.09 0.78 -5.01 121.20 111.16 3d29 s ILE 18 Ca 0.12 0.25 -0.28 0.00 -2.23 0.00 0.00 60.65 58.51 3d29 s ILE 18 Cb -0.03 -4.50 -0.03 0.00 -1.58 0.00 0.00 42.46 36.33 3d29 s ILE 18 CO 0.04 -1.04 1.86 0.21 -1.23 0.00 0.00 174.94 174.78 3d29 s ASN 184 N 2.74 5.87 0.00 3.58 3.04 -1.26 -3.04 114.94 125.88 3d29 s ASN 184 Ca 0.29 1.47 0.00 0.00 0.04 0.00 0.00 52.86 54.66 3d29 s ASN 184 Cb -0.13 -2.52 0.00 0.00 -1.54 0.00 0.00 41.25 37.06 3d29 s ASN 184 CO 0.19 -1.70 0.00 -0.62 -3.04 0.00 0.00 177.10 171.93 3d29 n GLU 18 N 8.40 0.00 -3.25 0.43 4.71 -1.26 -4.99 120.64 124.68 3d29 n GLU 18 Ca 0.24 0.00 -0.33 0.00 -0.01 0.00 0.00 57.16 57.06 3d29 n GLU 18 Cb 0.46 -0.47 -0.06 0.00 -1.01 0.00 0.00 31.44 30.36 3d29 n GLU 18 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3d29 s SER 18 N -4.53 6.76 0.32 1.62 1.04 -1.26 -4.78 113.70 112.87 3d29 s SER 18 Ca 0.00 1.15 0.15 0.00 0.48 0.00 0.00 55.95 57.73 3d29 s SER 18 Cb 0.00 -2.32 0.44 0.00 0.10 0.00 0.00 66.02 64.24 3d29 s SER 18 CO 0.00 -0.10 1.62 4.11 0.98 0.00 0.00 173.24 179.85 3d29 h TRP 186 N 2.63 0.00 -0.42 5.02 5.08 -1.99 -3.03 115.95 123.24 3d29 h TRP 186 Ca -0.48 0.00 0.02 0.00 1.08 0.00 0.00 58.89 59.51 3d29 h TRP 186 Cb 1.18 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.31 3d29 h TRP 186 CO 0.62 0.50 0.26 0.93 -1.28 0.00 0.00 178.44 179.47 3d29 h GLU 187 N 0.00 0.50 -0.20 0.12 3.07 -1.99 0.40 114.58 116.49 3d29 h GLU 187 Ca -0.00 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 58.76 3d29 h GLU 187 Cb 1.09 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.88 3d29 h GLU 187 CO 0.06 0.33 -0.14 0.87 -1.40 0.00 0.00 179.01 178.73 3d29 h LYS 188 N 0.52 0.33 -0.05 2.33 1.79 -1.97 0.16 116.57 119.68 3d29 h LYS 188 Ca 0.17 -0.09 -0.19 0.00 -2.18 0.00 0.00 60.65 58.35 3d29 h LYS 188 Cb -0.00 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.60 3d29 h LYS 188 CO -0.07 0.48 -0.80 0.28 -1.08 0.00 0.00 179.45 178.26 3d29 h VAL 189 N 0.31 1.40 -0.65 0.50 2.07 -1.21 -0.70 116.25 117.97 3d29 h VAL 189 Ca 0.06 -2.27 -0.07 0.00 0.82 0.00 0.00 66.70 65.24 3d29 h VAL 189 Cb 0.44 2.23 -0.03 0.00 -1.52 0.00 0.00 31.29 32.41 3d29 h VAL 189 CO 0.03 0.68 0.14 0.58 0.02 0.00 0.00 177.57 179.02 3d29 h VAL 190 N 0.24 1.26 -0.52 2.57 2.07 0.26 -1.39 116.25 120.73 3d29 h VAL 190 Ca -0.04 -0.97 -0.06 0.00 0.82 0.00 0.00 66.70 66.45 3d29 h VAL 190 Cb 1.39 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 3d29 h VAL 190 CO 0.13 0.36 0.07 -0.33 0.02 0.00 0.00 177.57 177.83 3d29 h GLU 191 N 0.97 0.82 -0.32 1.57 5.08 -0.78 -0.75 114.58 121.17 3d29 h GLU 191 Ca 0.20 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3d29 h GLU 191 Cb 0.39 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3d29 h GLU 191 CO 0.01 0.78 0.11 0.35 -1.00 0.00 0.00 179.01 179.25 3d29 h PHE 192 N 0.78 0.51 0.09 4.33 3.04 -0.71 -0.43 116.94 124.55 3d29 h PHE 192 Ca 0.16 -0.05 -0.00 0.00 3.98 0.00 0.00 57.97 62.06 3d29 h PHE 192 Cb 0.37 -0.15 -0.00 0.00 2.56 0.00 0.00 35.95 38.73 3d29 h PHE 192 CO 0.02 0.51 -0.06 0.00 -2.02 0.00 0.00 178.31 176.76 3d29 h ALA 193 N 0.95 -0.14 -0.49 2.41 0.00 -0.87 -1.54 119.26 119.58 3d29 h ALA 193 Ca 0.11 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3d29 h ALA 193 Cb 0.23 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3d29 h ALA 193 CO -0.00 -0.58 -0.01 0.82 0.00 0.00 0.00 179.25 179.47 3d29 h ILE 194 N -0.15 1.25 0.46 0.00 2.04 -1.09 -1.26 117.51 118.75 3d29 h ILE 194 Ca -0.00 -1.05 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 3d29 h ILE 194 Cb 0.13 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 3d29 h ILE 194 CO 0.00 0.37 -0.39 0.74 0.00 0.00 0.00 178.15 178.88 3d29 h THR 195 N 0.77 0.22 0.00 -0.27 2.02 -0.83 -0.75 112.91 114.07 3d29 h THR 195 Ca 0.15 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.31 3d29 h THR 195 Cb 0.48 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 3d29 h THR 195 CO 0.02 0.00 -0.09 0.45 0.37 0.00 0.00 175.52 176.27 3d29 h HIS 196 N -0.84 0.00 -0.25 3.16 3.86 -1.21 -0.94 115.15 118.93 3d29 h HIS 196 Ca -0.04 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.10 3d29 h HIS 196 Cb 0.73 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.19 3d29 h HIS 196 CO -0.18 0.09 -0.10 1.98 0.86 0.00 0.00 177.93 180.58 3d29 h MET 197 N 0.00 0.51 -0.09 2.45 -1.53 -0.68 -1.26 114.93 114.34 3d29 h MET 197 Ca -0.00 -0.22 -0.01 0.00 -3.44 0.00 0.00 59.70 56.04 3d29 h MET 197 Cb 0.35 -0.02 -0.00 0.00 -0.55 0.00 0.00 31.60 31.38 3d29 h MET 197 CO 0.01 0.76 0.03 0.82 0.14 0.00 0.00 176.91 178.68 3d29 h ILE 198 N 0.24 1.15 0.16 1.77 2.04 -0.37 -1.74 117.51 120.76 3d29 h ILE 198 Ca 0.06 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.49 3d29 h ILE 198 Cb 0.60 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 3d29 h ILE 198 CO 0.03 0.13 -0.25 0.44 0.00 0.00 0.00 178.15 178.50 3d29 h ASP 199 N -0.02 -0.71 -0.52 1.72 3.45 -1.16 0.59 116.42 119.77 3d29 h ASP 199 Ca 0.03 0.08 -0.04 0.00 0.43 0.00 0.00 57.03 57.53 3d29 h ASP 199 Cb 0.17 0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 39.18 3d29 h ASP 199 CO -0.00 -0.35 0.19 0.00 -1.57 0.00 0.00 179.24 177.50 3d29 h ALA 200 N 0.23 1.27 0.00 3.45 0.00 -1.21 -2.88 119.26 120.12 3d29 h ALA 200 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3d29 h ALA 200 Cb 0.49 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3d29 h ALA 200 CO -0.12 0.52 -0.83 1.28 0.00 0.00 0.00 179.25 180.10 3d29 n LEU 201 N -4.30 0.65 -2.75 0.00 4.77 -0.66 -4.72 117.00 109.99 3d29 n LEU 201 Ca 0.04 0.10 -0.17 0.00 -0.03 0.00 0.00 56.01 55.95 3d29 n LEU 201 Cb 0.19 -0.14 0.06 0.00 -2.33 0.00 0.00 43.42 41.20 3d29 n LEU 201 CO 0.39 -0.00 0.17 0.61 -1.33 0.00 0.00 177.39 177.23 3d29 n GLY 202 N 1.35 -0.14 3.00 -0.72 0.00 0.20 -5.02 105.19 103.88 3d29 n GLY 202 Ca 0.03 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 3d29 n GLY 202 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d29 s THR 203 N -3.23 0.06 0.32 2.61 2.01 -0.99 -5.05 115.64 111.36 3d29 s THR 203 Ca 0.39 -0.47 -0.06 0.00 0.31 0.00 0.00 61.69 61.86 3d29 s THR 203 Cb -0.17 -0.25 -0.05 0.00 0.01 0.00 0.00 72.50 72.04 3d29 s THR 203 CO 0.53 -0.26 0.60 -0.70 -0.69 0.00 0.00 174.62 174.10 3d29 s GLU 204 N -0.82 3.65 0.11 4.92 2.56 -1.26 -4.41 118.70 123.46 3d29 s GLU 204 Ca -0.09 0.09 0.07 0.00 0.00 0.00 0.00 54.97 55.04 3d29 s GLU 204 Cb -0.05 -2.59 -0.04 0.00 2.00 0.00 0.00 34.13 33.45 3d29 s GLU 204 CO 0.00 0.15 -0.16 -0.06 -0.56 0.00 0.00 175.26 174.63 3d29 s PHE 205 N -2.16 1.51 0.35 5.30 0.40 -1.26 -5.10 117.98 117.01 3d29 s PHE 205 Ca 0.45 -0.49 0.08 0.00 -0.60 0.00 0.00 56.93 56.37 3d29 s PHE 205 Cb -0.11 -0.80 -0.05 0.00 0.51 0.00 0.00 43.02 42.58 3d29 s PHE 205 CO 0.31 0.17 0.13 -1.54 0.70 0.00 0.00 175.22 174.98 3d29 s SER 206 N -2.21 4.55 0.59 1.36 1.04 -1.26 -4.99 113.70 112.78 3d29 s SER 206 Ca 0.07 -0.86 0.28 0.00 0.48 0.00 0.00 55.95 55.92 3d29 s SER 206 Cb -0.07 -0.65 1.52 0.00 0.10 0.00 0.00 66.02 66.91 3d29 s SER 206 CO 0.04 -0.32 1.84 0.07 0.98 0.00 0.00 173.24 175.84 3d29 h LYS 207 N 1.57 0.00 -0.35 4.02 2.10 -1.93 -0.12 116.57 121.86 3d29 h LYS 207 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 3d29 h LYS 207 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3d29 h LYS 207 CO 0.65 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 178.19 3d29 n ASN 208 N -2.73 3.40 -0.01 7.07 3.02 -1.26 -4.24 115.26 120.50 3d29 n ASN 208 Ca -0.02 -1.98 0.11 0.00 -0.03 0.00 0.00 54.58 52.66 3d29 n ASN 208 Cb 0.33 -0.22 0.03 0.00 -0.61 0.00 0.00 39.78 39.31 3d29 n ASN 208 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3d29 n ASP 209 N 1.45 0.83 -4.50 6.41 10.43 -0.06 -4.69 116.55 126.42 3d29 n ASP 209 Ca 0.18 -0.72 -0.23 0.00 2.57 0.00 0.00 54.79 56.59 3d29 n ASP 209 Cb 0.60 0.68 -0.11 0.00 1.84 0.00 0.00 41.12 44.14 3d29 n ASP 209 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3d29 s LEU 210 N -2.98 2.46 -0.03 0.64 1.43 -1.25 -0.26 118.68 118.68 3d29 s LEU 210 Ca 0.10 -1.34 -0.01 0.00 -1.03 0.00 0.00 54.13 51.85 3d29 s LEU 210 Cb 0.17 -0.60 0.03 0.00 0.03 0.00 0.00 46.19 45.82 3d29 s LEU 210 CO 0.79 -0.50 0.05 -0.70 0.23 0.00 0.00 176.35 176.22 3d29 s GLU 211 N -3.80 -0.01 0.01 1.70 2.12 0.50 -4.65 118.70 114.57 3d29 s GLU 211 Ca 0.35 0.20 0.04 0.00 0.36 0.00 0.00 54.97 55.92 3d29 s GLU 211 Cb 0.08 -0.21 -0.01 0.00 0.26 0.00 0.00 34.13 34.25 3d29 s GLU 211 CO 0.16 -0.15 -0.13 0.08 -0.54 0.00 0.00 175.26 174.68 3d29 s VAL 212 N 0.97 1.02 0.02 3.70 1.01 -1.26 -1.16 120.40 124.70 3d29 s VAL 212 Ca -0.08 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.24 3d29 s VAL 212 Cb -0.11 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 3d29 s VAL 212 CO -0.03 0.18 -0.10 -0.83 0.00 0.00 0.00 175.10 174.32 3d29 s GLY 213 N -0.58 0.54 -0.01 4.51 0.00 -0.32 -1.11 107.32 110.35 3d29 s GLY 213 Ca 0.04 -0.59 0.02 0.00 0.00 0.00 0.00 44.72 44.19 3d29 s GLY 213 CO 0.00 -0.57 -0.08 0.14 0.00 0.00 0.00 173.10 172.60 3d29 s VAL 214 N -0.66 0.62 -0.16 1.40 1.01 0.11 -1.52 120.40 121.21 3d29 s VAL 214 Ca -0.00 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.66 3d29 s VAL 214 Cb -0.06 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.81 3d29 s VAL 214 CO 0.00 0.18 -0.20 0.00 0.00 0.00 0.00 175.10 175.08 3d29 s ALA 215 N -0.14 2.23 0.45 5.51 0.00 0.79 -0.47 121.76 130.13 3d29 s ALA 215 Ca 0.02 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 50.89 3d29 s ALA 215 Cb -0.04 -1.08 -0.03 0.00 0.00 0.00 0.00 23.12 21.98 3d29 s ALA 215 CO -0.00 -0.21 0.05 0.95 0.00 0.00 0.00 175.76 176.55 3d29 s THR 216 N 1.10 1.10 -0.14 0.00 -4.23 0.99 -0.71 115.64 113.74 3d29 s THR 216 Ca -0.00 -2.00 -0.35 0.00 -1.18 0.00 0.00 61.69 58.15 3d29 s THR 216 Cb -0.14 -2.39 -0.13 0.00 1.34 0.00 0.00 72.50 71.18 3d29 s THR 216 CO -0.08 0.00 1.86 1.17 -0.54 0.00 0.00 174.62 177.03 3d29 n LYS 217 N -1.06 1.95 -2.32 3.99 3.00 -1.26 -1.88 118.16 120.57 3d29 n LYS 217 Ca -0.12 0.71 -0.20 0.00 -0.00 0.00 0.00 58.31 58.70 3d29 n LYS 217 Cb 0.66 -2.53 -0.02 0.00 0.00 0.00 0.00 35.03 33.15 3d29 n LYS 217 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3d29 n ASP 218 N 6.45 -5.78 -3.65 3.14 8.00 -1.26 -4.98 116.55 118.47 3d29 n ASP 218 Ca 0.24 0.02 0.01 0.00 0.71 0.00 0.00 54.79 55.77 3d29 n ASP 218 Cb 0.26 -4.82 -0.06 0.00 -0.02 0.00 0.00 41.12 36.48 3d29 n ASP 218 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3d29 s LYS 220 N -4.92 0.03 -0.08 -1.24 2.20 -0.79 -4.82 119.74 110.12 3d29 s LYS 220 Ca 0.00 0.04 0.04 0.00 -0.36 0.00 0.00 55.97 55.70 3d29 s LYS 220 Cb 0.00 0.01 -0.00 0.00 -1.51 0.00 0.00 37.83 36.33 3d29 s LYS 220 CO 0.00 -0.00 -0.23 0.12 -0.36 0.00 0.00 175.35 174.88 3d29 s PHE 221 N 0.79 2.39 0.08 4.03 2.19 -0.37 -0.01 117.98 127.07 3d29 s PHE 221 Ca -0.04 -0.90 -0.07 0.00 0.33 0.00 0.00 56.93 56.25 3d29 s PHE 221 Cb -0.03 -1.60 -0.01 0.00 -1.31 0.00 0.00 43.02 40.07 3d29 s PHE 221 CO -0.11 -0.34 0.14 -0.59 1.83 0.00 0.00 175.22 176.14 3d29 s PHE 222 N 0.23 0.27 0.15 10.12 -0.12 0.38 -4.91 117.98 124.10 3d29 s PHE 222 Ca -0.14 -0.73 0.05 0.00 -0.05 0.00 0.00 56.93 56.06 3d29 s PHE 222 Cb -0.16 -0.15 -0.04 0.00 -0.63 0.00 0.00 43.02 42.04 3d29 s PHE 222 CO 0.07 -0.51 0.10 0.95 -0.05 0.00 0.00 175.22 175.78 3d29 s THR 223 N -3.89 4.35 0.42 -4.49 -4.23 -1.26 0.09 115.64 106.64 3d29 s THR 223 Ca 0.07 -1.08 -0.06 0.00 -1.18 0.00 0.00 61.69 59.44 3d29 s THR 223 Cb 0.06 -3.19 -0.04 0.00 1.34 0.00 0.00 72.50 70.66 3d29 s THR 223 CO -0.10 -0.06 0.71 -0.76 -0.54 0.00 0.00 174.62 173.87 3d29 s LEU 224 N -2.93 3.79 0.36 4.79 1.43 -0.27 -4.96 118.68 120.89 3d29 s LEU 224 Ca 0.30 0.88 0.04 0.00 -1.03 0.00 0.00 54.13 54.32 3d29 s LEU 224 Cb -0.10 -3.78 -0.01 0.00 0.03 0.00 0.00 46.19 42.32 3d29 s LEU 224 CO 0.22 -0.44 0.52 -0.94 0.23 0.00 0.00 176.35 175.94 3d29 s SER 225 N -3.73 6.00 0.29 2.29 1.04 -1.26 -4.68 113.70 113.65 3d29 s SER 225 Ca 0.47 0.03 0.04 0.00 0.48 0.00 0.00 55.95 56.97 3d29 s SER 225 Cb -0.10 -1.45 0.76 0.00 0.10 0.00 0.00 66.02 65.32 3d29 s SER 225 CO 0.38 -0.46 1.68 0.00 0.98 0.00 0.00 173.24 175.83 3d29 h ALA 226 N 0.77 1.45 -0.26 5.32 0.00 -1.96 0.35 119.26 124.94 3d29 h ALA 226 Ca -0.47 0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 3d29 h ALA 226 Cb 1.25 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 3d29 h ALA 226 CO 0.56 -0.39 -0.13 0.93 0.00 0.00 0.00 179.25 180.21 3d29 h GLU 227 N 0.35 0.54 -1.00 0.00 4.39 -1.93 0.71 114.58 117.65 3d29 h GLU 227 Ca 0.57 -0.24 0.10 0.00 0.34 0.00 0.00 59.36 60.13 3d29 h GLU 227 Cb 1.13 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.69 3d29 h GLU 227 CO -0.56 0.80 0.63 -0.91 -1.16 0.00 0.00 179.01 177.82 3d29 h ASN 228 N 0.27 0.95 -0.01 1.42 -0.26 -1.39 -0.58 115.58 115.98 3d29 h ASN 228 Ca 0.06 0.03 -0.00 0.00 -0.56 0.00 0.00 56.30 55.83 3d29 h ASN 228 Cb 0.65 -0.16 -0.00 0.00 -1.06 0.00 0.00 38.32 37.74 3d29 h ASN 228 CO 0.04 0.54 -0.00 0.40 -1.06 0.00 0.00 177.43 177.35 3d29 h ILE 229 N 1.04 1.30 -0.48 2.81 2.04 -0.81 -2.46 117.51 120.95 3d29 h ILE 229 Ca 0.47 -0.90 0.10 0.00 1.00 0.00 0.00 64.86 65.53 3d29 h ILE 229 Cb 0.38 1.90 -0.10 0.00 -0.74 0.00 0.00 36.82 38.27 3d29 h ILE 229 CO -0.23 0.23 -0.16 -0.08 0.00 0.00 0.00 178.15 177.91 3d29 h GLU 230 N -0.36 -0.05 -0.31 2.37 4.57 -0.01 0.70 114.58 121.48 3d29 h GLU 230 Ca 0.00 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.26 3d29 h GLU 230 Cb 0.38 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 3d29 h GLU 230 CO 0.00 -0.03 0.22 1.49 -1.18 0.00 0.00 179.01 179.51 3d29 h GLU 231 N -0.05 0.10 0.00 1.92 4.81 -1.09 0.22 114.58 120.49 3d29 h GLU 231 Ca 0.23 -0.01 -0.26 0.00 -0.13 0.00 0.00 59.36 59.19 3d29 h GLU 231 Cb 0.40 -0.02 0.02 0.00 0.63 0.00 0.00 28.75 29.78 3d29 h GLU 231 CO -0.52 0.07 -1.03 -0.09 -0.73 0.00 0.00 179.01 176.70 3d29 h ARG 232 N 0.10 0.66 -0.42 1.92 9.65 0.65 -2.96 114.38 123.98 3d29 h ARG 232 Ca 0.15 -0.71 -0.11 0.00 -1.10 0.00 0.00 59.98 58.21 3d29 h ARG 232 Cb 0.45 0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 29.22 3d29 h ARG 232 CO -0.02 1.29 -0.16 -0.07 2.80 0.00 0.00 179.97 183.82 3d29 h LEU 233 N 0.37 0.87 -0.92 3.80 4.07 0.11 -2.71 115.31 120.91 3d29 h LEU 233 Ca -0.12 -0.39 0.01 0.00 0.08 0.00 0.00 57.88 57.46 3d29 h LEU 233 Cb 1.68 -0.24 -0.05 0.00 1.08 0.00 0.00 40.66 43.14 3d29 h LEU 233 CO 0.20 1.06 0.60 0.58 -1.08 0.00 0.00 178.44 179.81 3d29 h VAL 234 N 0.68 1.24 -0.44 1.22 2.07 -0.68 -2.06 116.25 118.27 3d29 h VAL 234 Ca 0.10 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 3d29 h VAL 234 Cb 0.71 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 3d29 h VAL 234 CO 0.05 0.23 0.26 0.00 0.02 0.00 0.00 177.57 178.14 3d29 h ALA 235 N 1.33 0.56 0.00 1.67 0.00 -1.33 -1.87 119.26 119.63 3d29 h ALA 235 Ca 0.34 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 3d29 h ALA 235 Cb -0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3d29 h ALA 235 CO -0.07 0.06 -0.18 -0.84 0.00 0.00 0.00 179.25 178.22 3d29 h ILE 236 N 0.58 0.63 -0.03 0.00 -0.00 -1.18 -2.44 117.51 115.07 3d29 h ILE 236 Ca 0.16 -0.80 -0.10 0.00 -0.00 0.00 0.00 64.86 64.12 3d29 h ILE 236 Cb 0.01 1.52 -0.01 0.00 -0.00 0.00 0.00 36.82 38.33 3d29 h ILE 236 CO -0.03 0.18 -0.43 0.00 -0.00 0.00 0.00 178.15 177.87 3d29 h ALA 237 N 1.82 1.23 -0.80 0.16 0.00 -0.64 -3.15 119.26 117.88 3d29 h ALA 237 Ca -0.00 -0.40 -0.67 0.00 0.00 0.00 0.00 54.91 53.83 3d29 h ALA 237 Cb 0.50 -0.08 -0.21 0.00 0.00 0.00 0.00 17.79 18.01 3d29 h ALA 237 CO 0.02 0.56 1.10 0.39 0.00 0.00 0.00 179.25 181.32 3d29 n GLU 238 N -4.02 3.46 0.00 0.00 1.02 -0.92 -3.35 120.64 116.83 3d29 n GLU 238 Ca -0.02 -3.27 0.00 0.00 -0.02 0.00 0.00 57.16 53.85 3d29 n GLU 238 Cb 0.47 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.55 3d29 n GLU 238 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 3d29 n GLN 239 N 0.52 0.43 0.00 3.49 7.27 -1.19 -5.03 117.38 122.87 3d29 n GLN 239 Ca 0.53 0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.66 3d29 n GLN 239 Cb 0.35 -0.04 0.05 0.00 2.41 0.00 0.00 30.24 33.01 3d29 n GLN 239 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88