#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ddc s THR 2 N 0.00 4.69 0.00 3.17 -4.23 -1.25 -4.82 115.64 113.20 3ddc s THR 2 Ca 0.00 0.91 0.03 0.00 -1.18 0.00 0.00 61.69 61.46 3ddc s THR 2 Cb 0.00 -3.63 -0.03 0.00 1.34 0.00 0.00 72.50 70.18 3ddc s THR 2 CO 0.00 -0.24 -0.07 -0.70 -0.54 0.00 0.00 174.62 173.07 3ddc s GLU 3 N -3.12 2.56 -0.07 3.99 2.12 -1.26 -1.35 118.70 121.56 3ddc s GLU 3 Ca 0.54 -0.72 0.02 0.00 0.36 0.00 0.00 54.97 55.17 3ddc s GLU 3 Cb -0.10 -2.51 0.01 0.00 0.26 0.00 0.00 34.13 31.80 3ddc s GLU 3 CO 0.19 0.60 -0.12 0.71 -0.54 0.00 0.00 175.26 176.11 3ddc s TYR 4 N -1.00 1.51 -0.51 5.30 2.02 0.02 -4.96 117.35 119.73 3ddc s TYR 4 Ca 0.17 -0.59 -0.17 0.00 -0.37 0.00 0.00 57.07 56.11 3ddc s TYR 4 Cb -0.11 -1.12 0.08 0.00 -0.40 0.00 0.00 41.96 40.41 3ddc s TYR 4 CO 0.08 -0.32 0.50 0.15 -1.57 0.00 0.00 175.55 174.39 3ddc s LYS 5 N 0.80 3.02 -0.10 -0.62 1.02 -1.26 -0.87 119.74 121.73 3ddc s LYS 5 Ca -0.12 -1.32 -0.04 0.00 0.02 0.00 0.00 55.97 54.51 3ddc s LYS 5 Cb -0.15 -4.17 -0.04 0.00 -0.52 0.00 0.00 37.83 32.95 3ddc s LYS 5 CO 0.02 -1.19 0.07 -0.51 -0.92 0.00 0.00 175.35 172.82 3ddc s LEU 6 N 1.96 3.95 -0.05 3.17 1.43 -0.31 0.07 118.68 128.91 3ddc s LEU 6 Ca 0.07 0.29 0.03 0.00 -1.03 0.00 0.00 54.13 53.50 3ddc s LEU 6 Cb -0.24 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.04 3ddc s LEU 6 CO 0.07 0.39 -0.15 -0.69 0.23 0.00 0.00 176.35 176.20 3ddc s VAL 7 N -0.94 1.26 -0.26 -1.59 1.01 -0.24 -0.39 120.40 119.26 3ddc s VAL 7 Ca 0.14 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 3ddc s VAL 7 Cb -0.12 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.15 3ddc s VAL 7 CO 0.03 0.37 0.04 -0.69 0.00 0.00 0.00 175.10 174.85 3ddc s VAL 8 N 0.25 3.87 0.20 2.92 1.01 -0.12 -0.70 120.40 127.83 3ddc s VAL 8 Ca -0.07 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 61.51 3ddc s VAL 8 Cb -0.12 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 3ddc s VAL 8 CO 0.03 0.27 -0.11 0.68 0.00 0.00 0.00 175.10 175.97 3ddc s VAL 9 N 1.53 1.53 0.00 2.92 -7.23 -0.28 -2.65 120.40 116.21 3ddc s VAL 9 Ca 0.05 -2.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.07 3ddc s VAL 9 Cb -0.16 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.70 3ddc s VAL 9 CO 0.01 -0.56 0.00 0.61 -0.31 0.00 0.00 175.10 174.85 3ddc n GLY 10 N -0.37 2.77 3.73 2.32 0.00 -1.26 -0.95 105.19 111.43 3ddc n GLY 10 Ca -0.08 -1.58 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 3ddc n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddc s ALA 11 N -1.96 1.94 0.32 4.61 0.00 -1.26 -4.10 121.76 121.31 3ddc s ALA 11 Ca 0.00 0.46 -0.29 0.00 0.00 0.00 0.00 51.96 52.13 3ddc s ALA 11 Cb 0.00 -3.36 -0.11 0.00 0.00 0.00 0.00 23.12 19.64 3ddc s ALA 11 CO 0.00 -2.16 1.57 0.20 0.00 0.00 0.00 175.76 175.37 3ddc s GLY 12 N -2.96 2.33 0.00 0.00 0.00 -1.22 -3.28 107.32 102.20 3ddc s GLY 12 Ca 0.65 1.58 0.00 0.00 0.00 0.00 0.00 44.72 46.95 3ddc s GLY 12 CO 0.55 2.49 0.00 0.61 0.00 0.00 0.00 173.10 176.75 3ddc n GLY 13 N 1.71 0.68 0.09 0.20 0.00 -1.26 -4.93 105.19 101.67 3ddc n GLY 13 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 3ddc n GLY 13 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ddc n VAL 14 N -2.60 0.55 0.00 1.61 0.24 -1.20 -4.90 118.33 112.03 3ddc n VAL 14 Ca 0.00 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 3ddc n VAL 14 Cb 0.00 -0.66 0.00 0.00 -1.47 0.00 0.00 33.84 31.71 3ddc n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ddc n GLY 15 N 1.13 1.56 0.13 7.63 0.00 -1.26 -4.53 105.19 109.84 3ddc n GLY 15 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 3ddc n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ddc h LYS 16 N 0.00 0.19 -0.37 1.61 1.57 -1.90 0.62 116.57 118.29 3ddc h LYS 16 Ca 0.00 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 3ddc h LYS 16 Cb 0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3ddc h LYS 16 CO 0.00 0.13 -0.10 0.77 -0.57 0.00 0.00 179.45 179.67 3ddc h SER 17 N 0.20 0.72 -0.77 0.86 0.02 -1.96 -1.95 113.55 110.67 3ddc h SER 17 Ca 0.12 -0.37 0.02 0.00 -0.84 0.00 0.00 61.79 60.72 3ddc h SER 17 Cb 0.10 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.40 3ddc h SER 17 CO -0.13 0.93 0.50 0.00 -1.14 0.00 0.00 176.83 176.98 3ddc h ALA 18 N 0.82 0.99 -0.50 3.77 0.00 -1.86 0.23 119.26 122.71 3ddc h ALA 18 Ca 0.09 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3ddc h ALA 18 Cb 0.62 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3ddc h ALA 18 CO 0.04 0.33 0.14 -0.07 0.00 0.00 0.00 179.25 179.69 3ddc h LEU 19 N 0.98 0.74 -0.34 0.00 3.38 -0.78 -1.29 115.31 117.99 3ddc h LEU 19 Ca 0.30 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3ddc h LEU 19 Cb -0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3ddc h LEU 19 CO -0.09 0.76 0.11 0.74 0.09 0.00 0.00 178.44 180.05 3ddc h THR 20 N 0.68 1.21 -0.38 0.22 2.02 -0.59 -2.38 112.91 113.68 3ddc h THR 20 Ca 0.16 -0.67 -0.14 0.00 0.77 0.00 0.00 66.41 66.53 3ddc h THR 20 Cb 0.29 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 3ddc h THR 20 CO -0.00 0.23 -0.30 0.40 0.37 0.00 0.00 175.52 176.22 3ddc h ILE 21 N 0.40 1.28 -0.68 3.11 2.04 -0.50 0.13 117.51 123.29 3ddc h ILE 21 Ca 0.11 -1.46 0.10 0.00 1.00 0.00 0.00 64.86 64.62 3ddc h ILE 21 Cb 0.25 1.30 -0.08 0.00 -0.74 0.00 0.00 36.82 37.55 3ddc h ILE 21 CO -0.00 0.49 0.29 -0.61 0.00 0.00 0.00 178.15 178.31 3ddc h GLN 22 N 0.71 0.48 -0.09 2.37 5.75 -1.14 0.65 115.11 123.84 3ddc h GLN 22 Ca 0.08 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.53 3ddc h GLN 22 Cb 0.85 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 29.29 3ddc h GLN 22 CO 0.07 0.32 -0.02 1.25 -2.65 0.00 0.00 178.83 177.81 3ddc h LEU 23 N 0.49 0.17 0.01 -2.39 5.85 -0.83 -1.50 115.31 117.11 3ddc h LEU 23 Ca 0.34 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3ddc h LEU 23 Cb 0.42 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.40 3ddc h LEU 23 CO -0.31 0.48 -0.00 0.40 -0.34 0.00 0.00 178.44 178.67 3ddc h ILE 24 N -0.15 1.30 -0.01 4.05 1.08 -0.59 -3.38 117.51 119.81 3ddc h ILE 24 Ca 0.02 -0.92 0.00 0.00 -0.39 0.00 0.00 64.86 63.57 3ddc h ILE 24 Cb 0.41 1.92 0.00 0.00 -3.07 0.00 0.00 36.82 36.08 3ddc h ILE 24 CO 0.01 0.24 -0.22 0.00 -0.69 0.00 0.00 178.15 177.48 3ddc n GLN 25 N -4.91 2.21 -3.13 2.37 6.02 0.22 -5.01 117.38 115.17 3ddc n GLN 25 Ca -0.08 -0.56 -0.23 0.00 -0.01 0.00 0.00 57.00 56.12 3ddc n GLN 25 Cb 0.21 -1.07 0.04 0.00 1.02 0.00 0.00 30.24 30.44 3ddc n GLN 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3ddc n ASN 26 N -0.32 -6.00 -4.01 1.08 4.13 -0.56 -4.98 115.26 104.59 3ddc n ASN 26 Ca 0.04 -0.33 -0.10 0.00 1.68 0.00 0.00 54.58 55.87 3ddc n ASN 26 Cb 0.20 -4.84 -0.08 0.00 -1.54 0.00 0.00 39.78 33.53 3ddc n ASN 26 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 3ddc s HIS 27 N -3.19 0.51 -0.22 3.10 -3.43 -1.26 -5.00 115.29 105.81 3ddc s HIS 27 Ca 0.35 -0.88 -0.11 0.00 -0.80 0.00 0.00 55.06 53.62 3ddc s HIS 27 Cb -0.16 -0.16 -0.05 0.00 -1.43 0.00 0.00 32.58 30.78 3ddc s HIS 27 CO 0.43 -0.67 0.20 0.12 -2.00 0.00 0.00 174.74 172.83 3ddc s PHE 28 N -3.99 3.35 -0.38 0.38 5.99 -1.26 -3.25 117.98 118.82 3ddc s PHE 28 Ca 0.19 0.33 -0.21 0.00 0.00 0.00 0.00 56.93 57.23 3ddc s PHE 28 Cb 0.04 -2.30 0.01 0.00 0.00 0.00 0.00 43.02 40.78 3ddc s PHE 28 CO 0.00 0.10 0.67 0.08 -0.00 0.00 0.00 175.22 176.08 3ddc s VAL 29 N 0.94 4.83 0.05 3.12 1.01 -1.26 -4.91 120.40 124.19 3ddc s VAL 29 Ca 0.10 0.54 0.05 0.00 0.00 0.00 0.00 61.98 62.68 3ddc s VAL 29 Cb -0.13 -4.14 -0.23 0.00 0.00 0.00 0.00 36.38 31.87 3ddc s VAL 29 CO 0.04 -0.41 1.04 -0.33 0.00 0.00 0.00 175.10 175.43 3ddc h GLU 30 N 8.58 0.07 -7.12 2.72 3.07 -2.01 -3.47 114.58 116.42 3ddc h GLU 30 Ca -0.26 -0.12 -0.51 0.00 -0.50 0.00 0.00 59.36 57.97 3ddc h GLU 30 Cb 1.10 0.05 0.10 0.00 -0.84 0.00 0.00 28.75 29.15 3ddc h GLU 30 CO 0.87 0.92 0.42 0.15 -1.40 0.00 0.00 179.01 179.97 3ddc s LYS 31 N -2.66 3.04 -0.42 2.33 -0.14 -1.26 -5.00 119.74 115.62 3ddc s LYS 31 Ca -0.03 1.62 -0.03 0.00 -1.36 0.00 0.00 55.97 56.18 3ddc s LYS 31 Cb 0.09 -1.96 0.11 0.00 -1.68 0.00 0.00 37.83 34.39 3ddc s LYS 31 CO 0.83 -1.10 0.22 -0.47 -0.76 0.00 0.00 175.35 174.07 3ddc s TYR 32 N -1.88 3.58 -0.38 3.18 6.04 -1.26 -5.03 117.35 121.60 3ddc s TYR 32 Ca 0.73 -2.47 0.04 0.00 0.04 0.00 0.00 57.07 55.40 3ddc s TYR 32 Cb -0.25 -3.21 0.11 0.00 -1.04 0.00 0.00 41.96 37.56 3ddc s TYR 32 CO 0.33 -0.96 0.10 0.34 -1.54 0.00 0.00 175.55 173.82 3ddc s ASP 33 N 1.69 4.61 0.25 4.32 3.68 -1.26 -5.09 116.67 124.87 3ddc s ASP 33 Ca 0.09 -2.32 -0.31 0.00 2.13 0.00 0.00 52.55 52.14 3ddc s ASP 33 Cb -0.22 -1.58 -0.13 0.00 -1.45 0.00 0.00 42.92 39.53 3ddc s ASP 33 CO -0.04 -0.35 1.39 -2.65 0.13 0.00 0.00 175.17 173.64 3ddc n PRO 34 N 4.03 2.03 -3.22 4.34 -0.02 -1.26 -4.95 135.00 135.95 3ddc n PRO 34 Ca 0.04 0.72 -0.37 0.00 -2.02 0.00 0.00 63.50 61.87 3ddc n PRO 34 Cb 0.40 -2.36 -0.06 0.00 -0.02 0.00 0.00 33.50 31.46 3ddc n PRO 34 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3ddc s THR 35 N -0.20 4.68 -0.07 3.45 2.01 -1.26 -5.01 115.64 119.25 3ddc s THR 35 Ca 0.67 1.18 -0.04 0.00 0.31 0.00 0.00 61.69 63.80 3ddc s THR 35 Cb -0.64 -3.87 -0.01 0.00 0.01 0.00 0.00 72.50 67.99 3ddc s THR 35 CO 0.51 0.37 -0.08 -0.38 -0.69 0.00 0.00 174.62 174.35 3ddc n ILE 36 N 1.17 0.66 -3.50 1.82 5.41 -1.26 -4.21 119.36 119.45 3ddc n ILE 36 Ca -0.06 0.37 0.00 0.00 1.00 0.00 0.00 62.75 64.06 3ddc n ILE 36 Cb 0.51 -1.91 -0.05 0.00 -0.71 0.00 0.00 39.64 37.48 3ddc n ILE 36 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 3ddc s GLU 37 N -1.58 0.34 0.17 0.38 2.12 -1.26 -3.32 118.70 115.55 3ddc s GLU 37 Ca -0.07 0.76 0.11 0.00 0.36 0.00 0.00 54.97 56.14 3ddc s GLU 37 Cb 0.01 0.35 -0.04 0.00 0.26 0.00 0.00 34.13 34.71 3ddc s GLU 37 CO 0.10 -0.10 -0.25 -0.51 -0.54 0.00 0.00 175.26 173.96 3ddc s ASP 38 N 2.12 3.39 0.07 -1.70 1.01 -0.53 -5.00 116.67 116.03 3ddc s ASP 38 Ca -0.05 -0.82 0.04 0.00 0.71 0.00 0.00 52.55 52.43 3ddc s ASP 38 Cb -0.06 -0.24 -0.03 0.00 1.01 0.00 0.00 42.92 43.60 3ddc s ASP 38 CO -0.17 0.14 -0.11 -0.94 0.21 0.00 0.00 175.17 174.30 3ddc s SER 39 N -2.45 1.35 0.03 0.27 1.04 -1.26 -0.67 113.70 112.01 3ddc s SER 39 Ca 0.18 -0.62 0.01 0.00 0.48 0.00 0.00 55.95 56.00 3ddc s SER 39 Cb -0.09 -0.01 -0.02 0.00 0.10 0.00 0.00 66.02 66.00 3ddc s SER 39 CO 0.08 -0.15 -0.05 -0.31 0.98 0.00 0.00 173.24 173.80 3ddc s TYR 40 N -1.50 0.41 -0.14 5.02 1.51 0.21 -4.97 117.35 117.89 3ddc s TYR 40 Ca -0.04 -0.48 0.02 0.00 -1.01 0.00 0.00 57.07 55.56 3ddc s TYR 40 Cb -0.09 -0.27 0.01 0.00 -0.11 0.00 0.00 41.96 41.51 3ddc s TYR 40 CO 0.01 -0.13 -0.19 1.03 -1.11 0.00 0.00 175.55 175.15 3ddc s ARG 41 N -1.40 2.78 -0.05 -0.62 0.52 -1.26 0.12 118.95 119.04 3ddc s ARG 41 Ca -0.12 -0.76 -0.01 0.00 -0.52 0.00 0.00 55.73 54.32 3ddc s ARG 41 Cb -0.09 -2.31 0.03 0.00 0.52 0.00 0.00 34.95 33.10 3ddc s ARG 41 CO -0.00 -0.08 0.02 0.21 0.02 0.00 0.00 175.30 175.47 3ddc s LYS 42 N 1.00 0.27 -0.02 3.54 2.47 -0.13 -4.98 119.74 121.88 3ddc s LYS 42 Ca -0.04 0.20 -0.25 0.00 -1.56 0.00 0.00 55.97 54.32 3ddc s LYS 42 Cb -0.15 -0.66 -0.04 0.00 -1.46 0.00 0.00 37.83 35.52 3ddc s LYS 42 CO -0.05 -0.27 0.76 -0.65 0.16 0.00 0.00 175.35 175.31 3ddc s GLN 43 N 1.77 4.47 0.15 4.03 -0.21 -1.26 -0.00 119.66 128.60 3ddc s GLN 43 Ca 0.01 1.01 -0.01 0.00 0.02 0.00 0.00 55.36 56.39 3ddc s GLN 43 Cb -0.13 -3.42 -0.04 0.00 1.00 0.00 0.00 33.01 30.42 3ddc s GLN 43 CO -0.03 0.12 0.06 0.14 -2.12 0.00 0.00 175.29 173.45 3ddc s VAL 44 N 0.56 0.17 -0.20 1.09 -7.23 0.17 -4.99 120.40 109.97 3ddc s VAL 44 Ca 0.40 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 3ddc s VAL 44 Cb -0.19 -2.12 0.02 0.00 0.56 0.00 0.00 36.38 34.65 3ddc s VAL 44 CO 0.21 -0.41 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.76 3ddc s VAL 45 N -4.01 2.39 -0.18 1.32 1.01 -1.26 -0.54 120.40 119.14 3ddc s VAL 45 Ca 0.26 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.29 3ddc s VAL 45 Cb 0.07 -2.09 0.03 0.00 0.00 0.00 0.00 36.38 34.38 3ddc s VAL 45 CO 0.03 0.41 -0.17 -0.63 0.00 0.00 0.00 175.10 174.75 3ddc s ILE 46 N 1.30 1.87 -1.58 2.22 1.01 0.83 -4.72 121.20 122.13 3ddc s ILE 46 Ca 0.03 -0.89 -0.09 0.00 0.00 0.00 0.00 60.65 59.70 3ddc s ILE 46 Cb -0.14 -1.75 0.08 0.00 0.01 0.00 0.00 42.46 40.66 3ddc s ILE 46 CO -0.09 0.44 0.50 0.47 0.00 0.00 0.00 174.94 176.26 3ddc n ASP 47 N 4.66 -1.33 0.00 3.58 8.00 -1.26 -1.17 116.55 129.03 3ddc n ASP 47 Ca -0.19 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.24 3ddc n ASP 47 Cb 0.49 -2.57 0.00 0.00 -0.02 0.00 0.00 41.12 39.02 3ddc n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ddc n GLY 48 N -1.80 2.03 3.72 0.44 0.00 -1.26 -5.01 105.19 103.31 3ddc n GLY 48 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 3ddc n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ddc s GLU 49 N -0.32 4.21 -0.07 1.61 8.01 -0.32 -5.07 118.70 126.75 3ddc s GLU 49 Ca 0.00 -0.06 -0.30 0.00 0.01 0.00 0.00 54.97 54.62 3ddc s GLU 49 Cb 0.00 -3.44 -0.02 0.00 -4.31 0.00 0.00 34.13 26.36 3ddc s GLU 49 CO 0.00 0.23 1.01 0.99 0.01 0.00 0.00 175.26 177.50 3ddc s THR 50 N 0.52 4.79 0.03 3.63 2.01 -1.26 -0.12 115.64 125.24 3ddc s THR 50 Ca 0.12 2.03 0.05 0.00 0.31 0.00 0.00 61.69 64.20 3ddc s THR 50 Cb -0.12 -4.31 -0.02 0.00 0.01 0.00 0.00 72.50 68.06 3ddc s THR 50 CO 0.02 0.05 -0.14 0.00 -0.69 0.00 0.00 174.62 173.86 3ddc s LEU 52 N -0.98 4.38 -0.25 0.00 2.96 -0.46 -0.65 118.68 123.67 3ddc s LEU 52 Ca 0.02 -0.30 -0.13 0.00 -0.22 0.00 0.00 54.13 53.50 3ddc s LEU 52 Cb -0.07 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 3ddc s LEU 52 CO 0.01 -0.19 0.29 -0.76 -1.32 0.00 0.00 176.35 174.38 3ddc s LEU 53 N 1.75 4.07 -0.33 -0.68 1.43 0.99 -0.80 118.68 125.11 3ddc s LEU 53 Ca 0.07 0.22 -0.13 0.00 -1.03 0.00 0.00 54.13 53.26 3ddc s LEU 53 Cb -0.17 -2.30 -0.02 0.00 0.03 0.00 0.00 46.19 43.73 3ddc s LEU 53 CO 0.11 -0.08 0.23 -1.81 0.23 0.00 0.00 176.35 175.03 3ddc s ASP 54 N 1.44 6.05 -0.16 2.29 1.01 -0.05 -0.96 116.67 126.28 3ddc s ASP 54 Ca 0.12 -0.38 -0.01 0.00 0.71 0.00 0.00 52.55 52.99 3ddc s ASP 54 Cb -0.15 -2.13 -0.01 0.00 1.01 0.00 0.00 42.92 41.64 3ddc s ASP 54 CO 0.09 -0.22 -0.11 -0.63 0.21 0.00 0.00 175.17 174.51 3ddc s ILE 55 N 1.72 3.06 -0.26 0.77 1.01 0.12 -1.16 121.20 126.47 3ddc s ILE 55 Ca 0.06 -0.63 -0.08 0.00 0.00 0.00 0.00 60.65 59.99 3ddc s ILE 55 Cb -0.17 -2.32 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 3ddc s ILE 55 CO 0.10 0.49 0.11 -0.22 0.00 0.00 0.00 174.94 175.43 3ddc s LEU 56 N 0.82 3.62 -0.34 2.97 2.96 0.48 -0.62 118.68 128.56 3ddc s LEU 56 Ca -0.04 -0.15 -0.12 0.00 -0.22 0.00 0.00 54.13 53.60 3ddc s LEU 56 Cb -0.15 -1.98 -0.01 0.00 0.50 0.00 0.00 46.19 44.55 3ddc s LEU 56 CO 0.01 -0.04 0.23 -0.62 -1.32 0.00 0.00 176.35 174.61 3ddc s ASP 57 N 1.66 5.97 0.46 3.68 2.15 0.16 -0.95 116.67 129.80 3ddc s ASP 57 Ca 0.07 -0.51 0.08 0.00 0.43 0.00 0.00 52.55 52.61 3ddc s ASP 57 Cb -0.15 -2.11 0.02 0.00 -0.30 0.00 0.00 42.92 40.37 3ddc s ASP 57 CO 0.06 -0.26 0.57 0.42 -0.17 0.00 0.00 175.17 175.79 3ddc s THR 58 N 1.69 2.65 -0.07 1.71 -4.23 -1.08 -1.45 115.64 114.86 3ddc s THR 58 Ca 0.06 -1.10 -0.28 0.00 -1.18 0.00 0.00 61.69 59.18 3ddc s THR 58 Cb -0.18 -2.76 -0.02 0.00 1.34 0.00 0.00 72.50 70.88 3ddc s THR 58 CO 0.10 0.00 0.90 0.00 -0.54 0.00 0.00 174.62 175.08 3ddc s ALA 59 N -2.47 3.33 -0.17 3.99 0.00 -1.21 -4.79 121.76 120.43 3ddc s ALA 59 Ca 0.54 0.32 0.17 0.00 0.00 0.00 0.00 51.96 52.99 3ddc s ALA 59 Cb -0.07 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 3ddc s ALA 59 CO 0.32 -0.39 1.15 0.78 0.00 0.00 0.00 175.76 177.63 3ddc h GLY 60 N 7.42 0.00 -4.18 0.00 0.00 -1.81 -3.46 103.07 101.04 3ddc h GLY 60 Ca -0.36 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.45 3ddc h GLY 60 CO 0.80 0.00 0.70 1.20 0.00 0.00 0.00 176.54 179.24 3ddc s GLN 61 N -3.01 4.32 0.55 4.80 -1.52 -1.26 -3.37 119.66 120.16 3ddc s GLN 61 Ca 0.01 2.21 0.22 0.00 -1.95 0.00 0.00 55.36 55.85 3ddc s GLN 61 Cb 0.08 -3.13 1.46 0.00 -0.22 0.00 0.00 33.01 31.20 3ddc s GLN 61 CO 0.77 -0.33 2.15 1.49 -0.25 0.00 0.00 175.29 179.13 3ddc h GLU 62 N 4.85 0.00 -0.07 2.91 4.57 -2.01 -2.52 114.58 122.31 3ddc h GLU 62 Ca -0.46 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 57.74 3ddc h GLU 62 Cb 1.22 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.81 3ddc h GLU 62 CO 0.75 0.00 0.14 1.05 -1.18 0.00 0.00 179.01 179.77 3ddc h GLU 63 N 0.00 0.00 -0.48 1.92 4.11 -1.98 -1.56 114.58 116.58 3ddc h GLU 63 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.47 3ddc h GLU 63 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3ddc h GLU 63 CO -0.00 0.00 0.00 0.66 0.07 0.00 0.00 179.01 179.74 3ddc n TYR 64 N -3.40 1.29 0.19 2.06 4.01 -0.95 -4.64 117.16 115.72 3ddc n TYR 64 Ca -0.01 -0.70 0.14 0.00 -0.16 0.00 0.00 57.90 57.17 3ddc n TYR 64 Cb 0.22 -0.28 0.72 0.00 -0.31 0.00 0.00 39.34 39.69 3ddc n TYR 64 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3ddc h SER 65 N 3.10 0.00 0.55 7.72 4.64 -1.43 -2.02 113.55 126.12 3ddc h SER 65 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3ddc h SER 65 Cb 1.45 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.54 3ddc h SER 65 CO 0.25 0.00 -0.02 0.00 -0.87 0.00 0.00 176.83 176.18 3ddc h ALA 66 N 1.89 1.04 0.00 5.18 0.00 -1.83 -2.51 119.26 123.03 3ddc h ALA 66 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ddc h ALA 66 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3ddc h ALA 66 CO -0.00 0.03 0.00 -1.33 0.00 0.00 0.00 179.25 177.95 3ddc n MET 67 N -3.18 0.35 -0.09 0.00 2.00 -0.76 -4.19 117.12 111.25 3ddc n MET 67 Ca -0.01 0.04 -0.13 0.00 0.00 0.00 0.00 57.70 57.61 3ddc n MET 67 Cb 0.21 -1.50 -0.04 0.00 0.00 0.00 0.00 33.22 31.89 3ddc n MET 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3ddc h ARG 68 N 0.00 0.64 -0.35 0.03 3.08 -1.64 -2.96 114.38 113.17 3ddc h ARG 68 Ca 0.00 -0.32 0.06 0.00 0.07 0.00 0.00 59.98 59.79 3ddc h ARG 68 Cb 0.25 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.24 3ddc h ARG 68 CO 0.00 0.92 -0.01 -0.44 -1.07 0.00 0.00 179.97 179.37 3ddc h ASP 69 N 0.37 -0.16 -0.33 7.04 3.45 -1.82 -0.27 116.42 124.69 3ddc h ASP 69 Ca 0.05 0.08 0.07 0.00 0.43 0.00 0.00 57.03 57.66 3ddc h ASP 69 Cb 0.78 0.15 -0.07 0.00 -0.56 0.00 0.00 39.33 39.63 3ddc h ASP 69 CO 0.06 -0.05 -0.14 1.56 -1.57 0.00 0.00 179.24 179.10 3ddc h GLN 70 N 0.09 -0.08 0.00 3.56 7.50 -1.83 -0.85 115.11 123.50 3ddc h GLN 70 Ca 0.17 0.01 -0.09 0.00 0.50 0.00 0.00 58.65 59.24 3ddc h GLN 70 Cb 0.24 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.77 3ddc h GLN 70 CO -0.29 -0.05 -0.43 0.10 -1.50 0.00 0.00 178.83 176.65 3ddc h TYR 71 N -0.08 0.00 -0.07 2.96 -0.00 -1.29 -3.14 116.97 115.34 3ddc h TYR 71 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 58.73 58.72 3ddc h TYR 71 Cb 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.06 3ddc h TYR 71 CO -0.36 0.43 -0.71 0.52 -0.00 0.00 0.00 178.16 178.04 3ddc h MET 72 N 0.00 0.36 -0.53 0.10 2.86 -0.74 -1.48 114.93 115.50 3ddc h MET 72 Ca -0.00 -0.29 0.02 0.00 -2.06 0.00 0.00 59.70 57.36 3ddc h MET 72 Cb 1.23 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.91 3ddc h MET 72 CO 0.06 0.93 0.33 0.00 1.06 0.00 0.00 176.91 179.29 3ddc h ARG 73 N 0.25 0.64 0.00 1.72 3.08 -1.16 -3.29 114.38 115.61 3ddc h ARG 73 Ca -0.03 -0.04 -0.21 0.00 0.07 0.00 0.00 59.98 59.77 3ddc h ARG 73 Cb 1.28 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 31.15 3ddc h ARG 73 CO 0.12 0.42 -1.32 1.79 -1.07 0.00 0.00 179.97 179.91 3ddc h THR 74 N 0.66 0.90 -3.95 2.04 1.35 -1.49 -3.47 112.91 108.95 3ddc h THR 74 Ca 0.21 -2.54 -0.52 0.00 -0.55 0.00 0.00 66.41 63.00 3ddc h THR 74 Cb -0.01 2.37 0.08 0.00 -1.73 0.00 0.00 68.15 68.87 3ddc h THR 74 CO -0.08 0.51 0.60 -0.83 -0.25 0.00 0.00 175.52 175.47 3ddc s GLY 75 N -4.85 2.92 -0.17 5.82 0.00 -0.56 -4.94 107.32 105.54 3ddc s GLY 75 Ca -0.02 1.21 0.13 0.00 0.00 0.00 0.00 44.72 46.04 3ddc s GLY 75 CO 0.81 1.79 0.16 1.18 0.00 0.00 0.00 173.10 177.04 3ddc n GLU 76 N 0.11 0.68 -3.82 2.90 1.02 0.11 -4.99 120.64 116.65 3ddc n GLU 76 Ca 0.04 0.10 -0.11 0.00 -0.02 0.00 0.00 57.16 57.16 3ddc n GLU 76 Cb 0.44 -1.59 -0.09 0.00 -0.02 0.00 0.00 31.44 30.18 3ddc n GLU 76 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3ddc s GLY 77 N -5.59 -0.02 -0.09 0.62 0.00 -0.94 -4.26 107.32 97.05 3ddc s GLY 77 Ca -0.14 -0.11 0.02 0.00 0.00 0.00 0.00 44.72 44.49 3ddc s GLY 77 CO 0.79 -0.29 -0.14 -1.36 0.00 0.00 0.00 173.10 172.10 3ddc s PHE 78 N -2.12 1.74 -0.30 1.90 0.40 -0.26 -1.08 117.98 118.26 3ddc s PHE 78 Ca -0.08 -0.73 -0.18 0.00 -0.60 0.00 0.00 56.93 55.33 3ddc s PHE 78 Cb -0.03 -1.26 -0.02 0.00 0.51 0.00 0.00 43.02 42.22 3ddc s PHE 78 CO -0.01 -0.38 0.53 -0.51 0.70 0.00 0.00 175.22 175.55 3ddc s LEU 79 N 0.84 4.16 -0.44 -0.37 1.43 0.12 -1.81 118.68 122.61 3ddc s LEU 79 Ca -0.11 0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 53.18 3ddc s LEU 79 Cb -0.15 -2.66 0.06 0.00 0.03 0.00 0.00 46.19 43.46 3ddc s LEU 79 CO 0.01 -0.39 0.32 0.00 0.23 0.00 0.00 176.35 176.53 3ddc s VAL 81 N 1.59 3.98 0.34 0.00 1.01 -0.12 -0.60 120.40 126.60 3ddc s VAL 81 Ca 0.04 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 61.72 3ddc s VAL 81 Cb -0.22 -2.72 -0.07 0.00 0.00 0.00 0.00 36.38 33.36 3ddc s VAL 81 CO 0.06 0.52 0.05 0.72 0.00 0.00 0.00 175.10 176.45 3ddc s PHE 82 N 0.06 2.05 -0.11 5.22 -0.12 -0.24 -4.04 117.98 120.81 3ddc s PHE 82 Ca 0.00 -0.92 -0.01 0.00 -0.05 0.00 0.00 56.93 55.95 3ddc s PHE 82 Cb -0.13 -1.36 -0.03 0.00 -0.63 0.00 0.00 43.02 40.87 3ddc s PHE 82 CO 0.03 0.07 -0.05 0.00 -0.05 0.00 0.00 175.22 175.22 3ddc s ALA 83 N -3.21 3.03 -1.04 1.99 0.00 -1.26 -0.39 121.76 120.87 3ddc s ALA 83 Ca 0.36 -0.85 0.16 0.00 0.00 0.00 0.00 51.96 51.64 3ddc s ALA 83 Cb 0.09 -1.40 0.69 0.00 0.00 0.00 0.00 23.12 22.50 3ddc s ALA 83 CO 0.16 0.42 1.50 0.44 0.00 0.00 0.00 175.76 178.28 3ddc n ILE 84 N 2.78 0.87 -0.92 0.00 -5.35 -0.67 -1.30 119.36 114.77 3ddc n ILE 84 Ca -0.18 0.22 0.08 0.00 -0.27 0.00 0.00 62.75 62.60 3ddc n ILE 84 Cb 0.53 -0.95 0.33 0.00 -1.74 0.00 0.00 39.64 37.81 3ddc n ILE 84 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 3ddc n ASN 85 N -1.48 4.72 -3.53 7.28 6.94 -1.26 -0.45 115.26 127.48 3ddc n ASN 85 Ca 0.04 -2.94 -0.29 0.00 -0.02 0.00 0.00 54.58 51.38 3ddc n ASN 85 Cb 0.18 -0.60 -0.15 0.00 -2.36 0.00 0.00 39.78 36.85 3ddc n ASN 85 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 3ddc s ASN 86 N -1.38 3.44 0.24 0.53 3.84 -0.42 -4.74 114.94 116.45 3ddc s ASN 86 Ca 0.48 -1.37 -0.05 0.00 0.21 0.00 0.00 52.86 52.12 3ddc s ASN 86 Cb 0.37 -0.33 0.26 0.00 -0.55 0.00 0.00 41.25 40.99 3ddc s ASN 86 CO 0.13 -0.43 1.83 0.74 -2.79 0.00 0.00 177.10 176.58 3ddc h THR 87 N 6.26 1.25 -0.89 -5.21 2.02 -1.89 -2.45 112.91 112.00 3ddc h THR 87 Ca -0.17 -0.74 -0.01 0.00 0.77 0.00 0.00 66.41 66.26 3ddc h THR 87 Cb 1.01 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 3ddc h THR 87 CO 0.42 0.31 0.53 0.50 0.37 0.00 0.00 175.52 177.64 3ddc h LYS 88 N 1.10 1.22 -0.51 6.66 1.63 -1.95 -0.89 116.57 123.84 3ddc h LYS 88 Ca 0.26 -0.12 -0.02 0.00 -0.85 0.00 0.00 60.65 59.93 3ddc h LYS 88 Cb 0.16 -0.25 -0.02 0.00 -0.60 0.00 0.00 32.23 31.51 3ddc h LYS 88 CO -0.03 0.86 0.24 0.66 -3.45 0.00 0.00 179.45 177.74 3ddc h SER 89 N 1.24 0.63 -0.18 4.20 4.64 -1.78 -0.08 113.55 122.22 3ddc h SER 89 Ca 0.32 -0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.52 3ddc h SER 89 Cb -0.03 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 61.89 3ddc h SER 89 CO -0.06 0.54 -0.13 0.15 -0.87 0.00 0.00 176.83 176.46 3ddc h PHE 90 N 0.71 0.47 -0.76 4.77 3.57 -1.22 -2.89 116.94 121.58 3ddc h PHE 90 Ca 0.18 -0.13 0.12 0.00 3.53 0.00 0.00 57.97 61.67 3ddc h PHE 90 Cb 0.07 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.66 3ddc h PHE 90 CO 0.01 0.74 0.50 0.93 -2.23 0.00 0.00 178.31 178.26 3ddc h GLU 91 N 0.06 0.55 0.00 1.11 5.08 -0.76 -2.37 114.58 118.25 3ddc h GLU 91 Ca 0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ddc h GLU 91 Cb 0.64 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3ddc h GLU 91 CO 0.03 0.36 0.00 -0.25 -1.00 0.00 0.00 179.01 178.16 3ddc n ASP 92 N -4.50 0.71 -0.17 1.42 8.00 -0.08 -3.80 116.55 118.13 3ddc n ASP 92 Ca 0.14 0.66 -0.06 0.00 0.71 0.00 0.00 54.79 56.24 3ddc n ASP 92 Cb 0.42 -0.82 0.03 0.00 -0.02 0.00 0.00 41.12 40.74 3ddc n ASP 92 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3ddc h ILE 93 N 0.00 1.08 -0.42 0.53 1.08 -1.36 -2.46 117.51 115.97 3ddc h ILE 93 Ca 0.00 -0.22 0.01 0.00 -0.39 0.00 0.00 64.86 64.26 3ddc h ILE 93 Cb 0.40 0.38 -0.02 0.00 -3.07 0.00 0.00 36.82 34.51 3ddc h ILE 93 CO 0.00 0.12 0.28 1.12 -0.69 0.00 0.00 178.15 178.98 3ddc h HIS 94 N 0.65 0.49 -0.37 1.37 2.07 -1.77 -1.37 115.15 116.23 3ddc h HIS 94 Ca 0.20 0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 57.73 3ddc h HIS 94 Cb -0.02 -0.17 -0.02 0.00 2.57 0.00 0.00 27.41 29.78 3ddc h HIS 94 CO -0.06 0.30 0.20 1.96 -3.07 0.00 0.00 177.93 177.27 3ddc h GLN 95 N 0.52 0.51 -0.03 5.12 4.20 -1.67 -0.21 115.11 123.56 3ddc h GLN 95 Ca 0.16 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.82 3ddc h GLN 95 Cb 0.01 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3ddc h GLN 95 CO -0.04 0.42 -0.02 1.88 -0.67 0.00 0.00 178.83 180.41 3ddc h TYR 96 N 0.47 -0.04 -0.65 2.96 0.05 -1.36 -1.12 116.97 117.28 3ddc h TYR 96 Ca 0.13 0.00 0.12 0.00 0.05 0.00 0.00 58.73 59.03 3ddc h TYR 96 Cb 0.06 0.02 -0.09 0.00 1.01 0.00 0.00 36.73 37.73 3ddc h TYR 96 CO -0.03 -0.03 0.20 -0.09 -1.05 0.00 0.00 178.16 177.17 3ddc h ARG 97 N -0.02 0.33 -0.39 4.88 1.12 -0.94 -1.55 114.38 117.82 3ddc h ARG 97 Ca 0.02 -0.02 -0.10 0.00 -1.11 0.00 0.00 59.98 58.77 3ddc h ARG 97 Cb 0.04 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 29.92 3ddc h ARG 97 CO -0.04 0.22 -0.15 1.49 -3.11 0.00 0.00 179.97 178.39 3ddc h GLU 98 N 0.34 0.78 -0.46 0.20 4.57 -0.92 -1.95 114.58 117.15 3ddc h GLU 98 Ca 0.35 -0.32 -0.11 0.00 -1.18 0.00 0.00 59.36 58.09 3ddc h GLU 98 Cb 0.51 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 3ddc h GLU 98 CO -0.39 0.94 -0.16 0.37 -1.18 0.00 0.00 179.01 178.59 3ddc h GLN 99 N 0.58 0.92 -0.07 1.92 4.15 -0.81 -0.87 115.11 120.93 3ddc h GLN 99 Ca 0.09 -0.37 0.02 0.00 0.77 0.00 0.00 58.65 59.16 3ddc h GLN 99 Cb 0.69 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.31 3ddc h GLN 99 CO 0.05 1.03 -0.07 0.82 -1.93 0.00 0.00 178.83 178.73 3ddc h ILE 100 N 0.76 0.80 -0.83 2.39 2.04 -1.30 0.11 117.51 121.48 3ddc h ILE 100 Ca 0.11 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.07 3ddc h ILE 100 Cb 0.72 0.80 -0.07 0.00 -0.74 0.00 0.00 36.82 37.53 3ddc h ILE 100 CO 0.06 0.00 0.47 0.50 0.00 0.00 0.00 178.15 179.18 3ddc h LYS 101 N -0.09 0.77 0.57 2.37 3.64 -1.19 0.10 116.57 122.74 3ddc h LYS 101 Ca 0.05 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 3ddc h LYS 101 Cb 0.16 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3ddc h LYS 101 CO -0.12 0.51 -0.28 -0.09 -2.27 0.00 0.00 179.45 177.20 3ddc h ARG 102 N 0.79 -0.74 -0.89 1.90 2.43 -0.75 0.93 114.38 118.05 3ddc h ARG 102 Ca 0.40 0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.69 3ddc h ARG 102 Cb 0.37 0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 30.03 3ddc h ARG 102 CO -0.25 -0.44 0.58 0.28 -1.51 0.00 0.00 179.97 178.63 3ddc h VAL 103 N -1.09 1.05 0.00 0.20 2.07 -0.67 -2.63 116.25 115.19 3ddc h VAL 103 Ca -0.08 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3ddc h VAL 103 Cb 0.65 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3ddc h VAL 103 CO 0.13 0.18 -0.88 0.29 0.02 0.00 0.00 177.57 177.31 3ddc n LYS 104 N -4.49 0.17 -3.28 1.57 5.02 0.01 -4.82 118.16 112.33 3ddc n LYS 104 Ca 0.14 -0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.26 3ddc n LYS 104 Cb 0.22 -1.56 0.07 0.00 -0.02 0.00 0.00 35.03 33.74 3ddc n LYS 104 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3ddc n ASP 105 N -1.77 -4.28 -3.75 4.39 2.03 0.28 -5.01 116.55 108.44 3ddc n ASP 105 Ca 0.03 -0.45 -0.13 0.00 0.52 0.00 0.00 54.79 54.77 3ddc n ASP 105 Cb 0.39 -4.09 -0.10 0.00 -0.72 0.00 0.00 41.12 36.61 3ddc n ASP 105 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3ddc s SER 106 N -3.53 -0.33 -0.21 1.67 0.15 -0.98 -5.05 113.70 105.42 3ddc s SER 106 Ca 0.30 0.55 0.15 0.00 0.70 0.00 0.00 55.95 57.66 3ddc s SER 106 Cb -0.13 0.62 0.80 0.00 -1.71 0.00 0.00 66.02 65.59 3ddc s SER 106 CO 0.57 -0.21 1.72 0.47 1.20 0.00 0.00 173.24 176.99 3ddc n ASP 107 N 2.44 5.52 -2.11 5.45 9.92 -1.26 -4.40 116.55 132.11 3ddc n ASP 107 Ca -0.15 -2.85 -0.00 0.00 -0.53 0.00 0.00 54.79 51.25 3ddc n ASP 107 Cb 0.57 -0.66 0.04 0.00 -0.64 0.00 0.00 41.12 40.42 3ddc n ASP 107 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 3ddc n ASP 108 N 0.67 0.48 -4.72 -2.24 5.75 -1.26 -5.08 116.55 110.16 3ddc n ASP 108 Ca 0.27 -2.04 -0.43 0.00 -0.01 0.00 0.00 54.79 52.58 3ddc n ASP 108 Cb 1.14 -0.10 -0.03 0.00 -1.03 0.00 0.00 41.12 41.10 3ddc n ASP 108 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 3ddc n VAL 109 N -0.33 0.42 -1.68 2.12 0.31 -1.26 -4.89 118.33 113.03 3ddc n VAL 109 Ca -0.03 -0.11 -0.45 0.00 -0.01 0.00 0.00 64.34 63.74 3ddc n VAL 109 Cb 0.91 -1.86 -0.04 0.00 -0.91 0.00 0.00 33.84 31.94 3ddc n VAL 109 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3ddc n PRO 110 N 3.11 2.44 -3.77 5.55 -0.02 -1.26 -4.95 135.00 136.10 3ddc n PRO 110 Ca 0.13 0.89 -0.13 0.00 -2.02 0.00 0.00 63.50 62.37 3ddc n PRO 110 Cb 0.34 -2.75 -0.09 0.00 -0.02 0.00 0.00 33.50 30.98 3ddc n PRO 110 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3ddc s MET 111 N 3.18 0.59 -0.04 -0.52 -1.94 -1.26 -1.10 119.30 118.20 3ddc s MET 111 Ca 0.87 -0.06 0.04 0.00 -1.71 0.00 0.00 55.69 54.82 3ddc s MET 111 Cb -0.60 0.26 0.00 0.00 2.01 0.00 0.00 34.83 36.51 3ddc s MET 111 CO 0.44 -0.15 -0.15 0.08 -0.01 0.00 0.00 175.02 175.23 3ddc s VAL 112 N -0.99 1.31 -0.18 -6.03 1.01 -0.75 -4.33 120.40 110.43 3ddc s VAL 112 Ca -0.11 -0.64 -0.21 0.00 0.00 0.00 0.00 61.98 61.02 3ddc s VAL 112 Cb -0.05 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 3ddc s VAL 112 CO 0.03 0.38 0.64 -0.22 0.00 0.00 0.00 175.10 175.94 3ddc s LEU 113 N 0.15 4.17 -0.20 3.92 2.96 -0.31 -0.65 118.68 128.71 3ddc s LEU 113 Ca -0.06 0.89 0.00 0.00 -0.22 0.00 0.00 54.13 54.74 3ddc s LEU 113 Cb -0.12 -2.92 0.02 0.00 0.50 0.00 0.00 46.19 43.67 3ddc s LEU 113 CO 0.02 -0.26 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.95 3ddc s VAL 114 N 1.78 2.36 -0.60 1.68 1.01 0.24 -1.13 120.40 125.72 3ddc s VAL 114 Ca 0.30 -0.96 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 3ddc s VAL 114 Cb -0.16 -2.07 0.13 0.00 0.00 0.00 0.00 36.38 34.27 3ddc s VAL 114 CO 0.11 0.42 0.64 -0.83 0.00 0.00 0.00 175.10 175.44 3ddc s GLY 115 N 1.30 1.99 0.61 4.51 0.00 -0.37 -1.07 107.32 114.29 3ddc s GLY 115 Ca 0.03 -2.48 -0.01 0.00 0.00 0.00 0.00 44.72 42.26 3ddc s GLY 115 CO -0.10 1.41 0.86 0.21 0.00 0.00 0.00 173.10 175.49 3ddc s ASN 116 N 3.49 5.07 -0.81 1.64 2.47 0.47 -1.51 114.94 125.76 3ddc s ASN 116 Ca 0.09 0.11 -0.00 0.00 0.42 0.00 0.00 52.86 53.48 3ddc s ASN 116 Cb -0.25 -0.89 0.00 0.00 -1.45 0.00 0.00 41.25 38.67 3ddc s ASN 116 CO 0.03 -1.33 0.04 0.29 -3.72 0.00 0.00 177.10 172.41 3ddc n LYS 117 N -2.55 -1.00 0.00 0.43 5.02 -0.73 -1.67 118.16 117.66 3ddc n LYS 117 Ca 0.08 0.46 0.07 0.00 -2.02 0.00 0.00 58.31 56.91 3ddc n LYS 117 Cb 0.60 -4.47 0.38 0.00 -0.02 0.00 0.00 35.03 31.52 3ddc n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ddc h ASP 119 N 0.00 0.00 -3.38 0.00 3.04 -1.91 -3.46 116.42 110.71 3ddc h ASP 119 Ca 0.00 0.00 -0.55 0.00 -3.24 0.00 0.00 57.03 53.24 3ddc h ASP 119 Cb 0.14 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.40 3ddc h ASP 119 CO 0.00 0.00 0.05 -0.76 -2.04 0.00 0.00 179.24 176.49 3ddc s LEU 120 N -5.39 4.51 0.10 0.15 1.43 -0.76 -4.99 118.68 113.73 3ddc s LEU 120 Ca 0.04 1.40 -0.05 0.00 -1.03 0.00 0.00 54.13 54.48 3ddc s LEU 120 Cb 0.09 -3.14 -0.19 0.00 0.03 0.00 0.00 46.19 42.97 3ddc s LEU 120 CO 0.51 0.21 1.21 0.00 0.23 0.00 0.00 176.35 178.51 3ddc h ALA 121 N 4.24 0.21 -0.05 4.21 0.00 -1.88 -3.40 119.26 122.59 3ddc h ALA 121 Ca -0.48 -0.80 -0.70 0.00 0.00 0.00 0.00 54.91 52.92 3ddc h ALA 121 Cb 1.21 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 3ddc h ALA 121 CO 0.65 0.87 3.22 0.00 0.00 0.00 0.00 179.25 183.99 3ddc n ALA 122 N -2.55 5.95 -2.44 0.00 0.00 -1.26 -4.95 120.51 115.26 3ddc n ALA 122 Ca -0.08 -3.84 -0.41 0.00 0.00 0.00 0.00 53.44 49.11 3ddc n ALA 122 Cb 0.94 -3.47 -0.04 0.00 0.00 0.00 0.00 19.45 16.88 3ddc n ALA 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3ddc s ARG 123 N 2.81 4.64 -0.00 0.00 3.52 -1.26 -4.55 118.95 124.10 3ddc s ARG 123 Ca 0.51 1.45 0.03 0.00 -0.13 0.00 0.00 55.73 57.60 3ddc s ARG 123 Cb 0.15 -3.41 -0.05 0.00 -1.56 0.00 0.00 34.95 30.08 3ddc s ARG 123 CO -0.08 0.10 0.11 0.25 -0.81 0.00 0.00 175.30 174.86 3ddc n THR 124 N 3.24 0.00 -3.67 4.11 -2.24 0.40 -4.94 114.28 111.19 3ddc n THR 124 Ca 0.04 -0.24 -0.38 0.00 -2.27 0.00 0.00 64.05 61.20 3ddc n THR 124 Cb 0.50 0.69 -0.12 0.00 -2.10 0.00 0.00 70.33 69.30 3ddc n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3ddc s VAL 125 N -1.81 4.55 0.31 2.28 1.01 -0.35 -4.85 120.40 121.54 3ddc s VAL 125 Ca -0.00 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.32 3ddc s VAL 125 Cb 0.02 -3.29 -0.10 0.00 0.00 0.00 0.00 36.38 33.02 3ddc s VAL 125 CO 0.14 0.12 1.20 -1.83 0.00 0.00 0.00 175.10 174.73 3ddc s GLU 126 N 1.61 4.47 0.37 2.72 1.03 -1.26 -4.90 118.70 122.73 3ddc s GLU 126 Ca 0.05 2.00 0.04 0.00 0.03 0.00 0.00 54.97 57.08 3ddc s GLU 126 Cb -0.17 -3.10 0.70 0.00 -0.80 0.00 0.00 34.13 30.77 3ddc s GLU 126 CO 0.06 -0.01 2.02 1.03 -1.33 0.00 0.00 175.26 177.03 3ddc h SER 127 N 3.53 0.65 -0.86 0.83 0.87 -1.98 -2.16 113.55 114.41 3ddc h SER 127 Ca -0.48 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.05 3ddc h SER 127 Cb 1.22 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.98 3ddc h SER 127 CO 0.66 0.47 0.51 -0.09 -0.53 0.00 0.00 176.83 177.85 3ddc h ARG 128 N 0.76 1.18 -0.55 2.24 9.65 -1.99 0.12 114.38 125.79 3ddc h ARG 128 Ca 0.20 -0.11 -0.06 0.00 -1.10 0.00 0.00 59.98 58.91 3ddc h ARG 128 Cb -0.08 -0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 28.24 3ddc h ARG 128 CO -0.04 0.84 0.11 0.37 2.80 0.00 0.00 179.97 184.04 3ddc h GLN 129 N 1.19 0.87 -0.27 0.20 4.15 -1.78 -0.77 115.11 118.70 3ddc h GLN 129 Ca 0.31 -0.19 -0.17 0.00 0.77 0.00 0.00 58.65 59.37 3ddc h GLN 129 Cb -0.03 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.54 3ddc h GLN 129 CO -0.06 0.79 -0.50 0.00 -1.93 0.00 0.00 178.83 177.13 3ddc h ALA 130 N 1.29 0.42 -0.95 3.38 0.00 -1.21 -2.21 119.26 119.99 3ddc h ALA 130 Ca 0.18 -0.50 0.05 0.00 0.00 0.00 0.00 54.91 54.64 3ddc h ALA 130 Cb 0.34 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 3ddc h ALA 130 CO 0.00 0.60 0.61 1.96 0.00 0.00 0.00 179.25 182.43 3ddc h GLN 131 N 0.57 1.11 -0.45 0.00 4.20 -0.66 -1.48 115.11 118.40 3ddc h GLN 131 Ca 0.01 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 3ddc h GLN 131 Cb 1.11 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 3ddc h GLN 131 CO 0.11 0.73 0.22 -0.44 -0.67 0.00 0.00 178.83 178.78 3ddc h ASP 132 N 1.14 0.59 -0.17 1.46 3.32 -0.97 -0.51 116.42 121.28 3ddc h ASP 132 Ca 0.39 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 3ddc h ASP 132 Cb 0.09 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3ddc h ASP 132 CO -0.15 0.55 0.07 0.25 -1.72 0.00 0.00 179.24 178.25 3ddc h LEU 133 N 0.59 0.24 -1.03 1.55 5.85 -1.05 -0.46 115.31 121.00 3ddc h LEU 133 Ca 0.16 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3ddc h LEU 133 Cb 0.12 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3ddc h LEU 133 CO -0.02 0.33 0.56 0.00 -0.34 0.00 0.00 178.44 178.97 3ddc h ALA 134 N 0.92 1.28 -0.40 1.25 0.00 -1.15 -1.88 119.26 119.28 3ddc h ALA 134 Ca 0.06 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3ddc h ALA 134 Cb 0.16 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3ddc h ALA 134 CO -0.01 0.63 0.14 -0.09 0.00 0.00 0.00 179.25 179.92 3ddc h ARG 135 N 1.25 0.61 -0.84 0.00 2.43 -0.87 -0.36 114.38 116.60 3ddc h ARG 135 Ca 0.33 -0.12 0.17 0.00 -0.81 0.00 0.00 59.98 59.54 3ddc h ARG 135 Cb -0.07 -0.09 -0.11 0.00 -0.42 0.00 0.00 29.97 29.28 3ddc h ARG 135 CO -0.06 0.60 0.38 1.03 -1.51 0.00 0.00 179.97 180.40 3ddc h SER 136 N 0.49 0.38 1.19 -3.80 0.87 -0.63 -1.56 113.55 110.50 3ddc h SER 136 Ca 0.13 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 3ddc h SER 136 Cb 0.24 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 3ddc h SER 136 CO -0.01 0.11 -0.20 -1.22 -0.53 0.00 0.00 176.83 174.98 3ddc n TYR 137 N -4.97 0.66 -2.70 2.24 4.01 -0.75 -4.95 117.16 110.70 3ddc n TYR 137 Ca 0.18 0.19 -0.09 0.00 -0.16 0.00 0.00 57.90 58.02 3ddc n TYR 137 Cb 0.50 -0.77 0.02 0.00 -0.31 0.00 0.00 39.34 38.79 3ddc n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ddc n GLY 138 N 1.35 0.25 3.31 2.72 0.00 -0.29 -5.02 105.19 107.51 3ddc n GLY 138 Ca 0.05 -0.37 -0.17 0.00 0.00 0.00 0.00 46.02 45.53 3ddc n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ddc s ILE 139 N -2.91 1.54 0.53 -0.61 -4.36 -0.33 -5.03 121.20 110.03 3ddc s ILE 139 Ca 0.16 -2.16 -0.20 0.00 -0.26 0.00 0.00 60.65 58.19 3ddc s ILE 139 Cb -0.07 -1.98 -0.06 0.00 1.25 0.00 0.00 42.46 41.60 3ddc s ILE 139 CO 0.20 -0.65 1.14 -2.84 0.24 0.00 0.00 174.94 173.04 3ddc s PRO 140 N -3.68 3.40 -0.13 0.37 0.02 -1.26 -4.25 135.00 129.47 3ddc s PRO 140 Ca 0.20 1.66 0.01 0.00 0.02 0.00 0.00 61.00 62.90 3ddc s PRO 140 Cb 0.00 -2.08 -0.01 0.00 0.02 0.00 0.00 34.50 32.44 3ddc s PRO 140 CO 0.05 -0.82 -0.16 -0.47 -0.33 0.00 0.00 177.00 175.26 3ddc s TYR 141 N -1.71 2.74 -0.03 6.54 5.04 -1.26 -1.16 117.35 127.51 3ddc s TYR 141 Ca 0.71 -0.84 0.02 0.00 -2.44 0.00 0.00 57.07 54.53 3ddc s TYR 141 Cb -0.25 -1.82 0.01 0.00 0.35 0.00 0.00 41.96 40.24 3ddc s TYR 141 CO 0.29 -0.32 -0.07 0.42 -1.34 0.00 0.00 175.55 174.52 3ddc s ILE 142 N 0.45 0.67 -0.03 3.14 -1.09 -0.29 -5.00 121.20 119.06 3ddc s ILE 142 Ca -0.12 -0.28 -0.15 0.00 -2.23 0.00 0.00 60.65 57.87 3ddc s ILE 142 Cb -0.16 -0.62 -0.05 0.00 -1.58 0.00 0.00 42.46 40.04 3ddc s ILE 142 CO 0.05 0.22 0.40 -1.61 -1.23 0.00 0.00 174.94 172.78 3ddc s GLU 143 N 0.34 4.00 0.16 2.79 2.02 -1.26 -1.23 118.70 125.52 3ddc s GLU 143 Ca -0.05 0.38 0.04 0.00 0.02 0.00 0.00 54.97 55.36 3ddc s GLU 143 Cb -0.09 -3.27 -0.05 0.00 0.10 0.00 0.00 34.13 30.82 3ddc s GLU 143 CO 0.00 0.57 -0.08 0.95 0.02 0.00 0.00 175.26 176.72 3ddc s THR 144 N -0.68 1.12 -0.11 3.63 -4.23 -0.57 -4.37 115.64 110.44 3ddc s THR 144 Ca 0.23 -2.05 -0.02 0.00 -1.18 0.00 0.00 61.69 58.67 3ddc s THR 144 Cb -0.16 -1.94 0.04 0.00 1.34 0.00 0.00 72.50 71.78 3ddc s THR 144 CO 0.12 -0.67 0.03 -0.55 -0.54 0.00 0.00 174.62 173.01 3ddc s SER 145 N -3.19 1.94 0.52 3.99 0.15 0.32 -1.54 113.70 115.88 3ddc s SER 145 Ca 0.19 -0.31 0.26 0.00 0.70 0.00 0.00 55.95 56.79 3ddc s SER 145 Cb 0.03 -0.39 1.42 0.00 -1.71 0.00 0.00 66.02 65.37 3ddc s SER 145 CO 0.02 -0.25 2.07 0.00 1.20 0.00 0.00 173.24 176.28 3ddc h ALA 146 N 8.34 1.35 -0.01 5.45 0.00 -1.89 -0.16 119.26 132.33 3ddc h ALA 146 Ca -0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3ddc h ALA 146 Cb 1.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3ddc h ALA 146 CO 0.26 0.15 -0.03 -0.22 0.00 0.00 0.00 179.25 179.41 3ddc h LYS 147 N 0.00 0.04 0.00 0.00 3.64 -1.94 -3.34 116.57 114.97 3ddc h LYS 147 Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3ddc h LYS 147 Cb 0.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3ddc h LYS 147 CO 0.02 0.63 -0.93 0.25 -2.27 0.00 0.00 179.45 177.15 3ddc n THR 148 N -4.76 0.22 -0.66 1.00 -2.24 -1.21 -4.82 114.28 101.80 3ddc n THR 148 Ca -0.09 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3ddc n THR 148 Cb 0.32 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 3ddc n THR 148 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3ddc n ARG 149 N -2.01 0.00 -1.68 -0.78 0.63 -0.09 -5.03 116.66 107.71 3ddc n ARG 149 Ca 0.02 0.00 -0.54 0.00 -0.92 0.00 0.00 57.85 56.42 3ddc n ARG 149 Cb 0.44 -2.00 -0.06 0.00 0.45 0.00 0.00 32.46 31.29 3ddc n ARG 149 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 3ddc n GLN 150 N -2.00 1.43 -0.42 -0.14 7.27 -1.07 -2.35 117.38 120.10 3ddc n GLN 150 Ca 0.00 0.52 0.00 0.00 0.07 0.00 0.00 57.00 57.59 3ddc n GLN 150 Cb 0.00 -2.24 0.00 0.00 2.41 0.00 0.00 30.24 30.41 3ddc n GLN 150 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3ddc n GLY 151 N 3.80 1.55 0.43 1.69 0.00 -1.26 -0.52 105.19 110.88 3ddc n GLY 151 Ca 0.23 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.07 3ddc n GLY 151 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ddc h VAL 152 N 0.00 0.19 -0.60 1.61 2.07 -1.75 0.10 116.25 117.86 3ddc h VAL 152 Ca 0.00 -0.08 0.08 0.00 0.82 0.00 0.00 66.70 67.52 3ddc h VAL 152 Cb 0.00 0.20 -0.07 0.00 -1.52 0.00 0.00 31.29 29.91 3ddc h VAL 152 CO 0.00 0.01 0.25 -0.33 0.02 0.00 0.00 177.57 177.52 3ddc h GLU 153 N -1.12 0.45 -0.92 1.57 5.08 -1.91 -2.36 114.58 115.37 3ddc h GLU 153 Ca -0.11 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.28 3ddc h GLU 153 Cb 0.82 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 3ddc h GLU 153 CO 0.18 0.30 0.59 0.22 -1.00 0.00 0.00 179.01 179.29 3ddc h ASP 154 N 0.46 0.95 0.27 1.42 3.58 -1.89 0.20 116.42 121.41 3ddc h ASP 154 Ca 0.29 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.74 3ddc h ASP 154 Cb 0.32 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.17 3ddc h ASP 154 CO -0.26 0.62 -0.13 0.00 -2.88 0.00 0.00 179.24 176.59 3ddc h ALA 155 N 1.41 -0.36 -0.37 -0.78 0.00 -0.28 0.17 119.26 119.05 3ddc h ALA 155 Ca 0.39 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 3ddc h ALA 155 Cb 0.12 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3ddc h ALA 155 CO -0.16 -0.66 -0.10 0.74 0.00 0.00 0.00 179.25 179.07 3ddc h PHE 156 N -0.45 0.81 -0.51 0.00 0.04 -1.28 -2.24 116.94 113.32 3ddc h PHE 156 Ca -0.04 -0.18 -0.11 0.00 2.80 0.00 0.00 57.97 60.44 3ddc h PHE 156 Cb 0.34 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 3ddc h PHE 156 CO -0.04 0.87 -0.13 1.88 -0.60 0.00 0.00 178.31 180.30 3ddc h TYR 157 N 0.52 1.09 -0.70 -0.55 -1.99 -0.57 -1.75 116.97 113.02 3ddc h TYR 157 Ca 0.09 -0.23 0.03 0.00 2.00 0.00 0.00 58.73 60.63 3ddc h TYR 157 Cb 0.61 -0.27 -0.05 0.00 2.00 0.00 0.00 36.73 39.03 3ddc h TYR 157 CO 0.05 1.03 0.43 1.15 -0.00 0.00 0.00 178.16 180.82 3ddc h THR 158 N 0.86 1.08 -0.51 -2.88 2.02 -0.60 -0.01 112.91 112.89 3ddc h THR 158 Ca 0.13 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 3ddc h THR 158 Cb 0.68 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 3ddc h THR 158 CO 0.05 0.15 0.31 0.25 0.37 0.00 0.00 175.52 176.65 3ddc h LEU 159 N 0.85 0.61 -0.72 2.58 5.85 -1.05 0.25 115.31 123.67 3ddc h LEU 159 Ca 0.28 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 3ddc h LEU 159 Cb 0.04 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 3ddc h LEU 159 CO -0.12 0.48 0.36 0.58 -0.34 0.00 0.00 178.44 179.40 3ddc h VAL 160 N 0.68 1.23 -0.55 1.05 2.07 -0.93 -1.34 116.25 118.46 3ddc h VAL 160 Ca 0.18 -0.63 0.02 0.00 0.82 0.00 0.00 66.70 67.09 3ddc h VAL 160 Cb -0.02 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 3ddc h VAL 160 CO -0.04 0.27 0.34 0.03 0.02 0.00 0.00 177.57 178.19 3ddc h ARG 161 N 1.00 0.66 -0.67 1.57 3.08 -0.46 -0.76 114.38 118.79 3ddc h ARG 161 Ca 0.25 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.33 3ddc h ARG 161 Cb 0.10 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 3ddc h ARG 161 CO -0.03 0.44 0.44 0.93 -1.07 0.00 0.00 179.97 180.68 3ddc h GLU 162 N 0.68 0.61 -0.04 0.04 4.39 0.05 -1.56 114.58 118.76 3ddc h GLU 162 Ca 0.22 -0.04 -0.13 0.00 0.34 0.00 0.00 59.36 59.75 3ddc h GLU 162 Cb -0.00 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 28.52 3ddc h GLU 162 CO -0.08 0.41 -0.46 0.82 -1.16 0.00 0.00 179.01 178.53 3ddc h ILE 163 N 0.63 1.43 0.00 3.13 2.04 -0.50 -3.15 117.51 121.09 3ddc h ILE 163 Ca 0.30 -1.92 0.00 0.00 1.00 0.00 0.00 64.86 64.24 3ddc h ILE 163 Cb 0.35 2.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.89 3ddc h ILE 163 CO -0.10 0.56 0.00 0.08 0.00 0.00 0.00 178.15 178.69 3ddc h ARG 164 N -0.12 0.00 -0.51 2.37 0.11 -0.89 -2.18 114.38 113.16 3ddc h ARG 164 Ca -0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.03 3ddc h ARG 164 Cb 1.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.23 3ddc h ARG 164 CO 0.09 0.00 0.00 1.04 0.10 0.00 0.00 179.97 181.20 3ddc n GLN 165 N -2.36 2.26 0.00 0.08 6.02 -0.61 -5.10 117.38 117.68 3ddc n GLN 165 Ca 0.05 -1.96 0.11 0.00 -0.01 0.00 0.00 57.00 55.19 3ddc n GLN 165 Cb 0.39 -1.44 0.09 0.00 1.02 0.00 0.00 30.24 30.31 3ddc n GLN 165 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63