#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d29 s TYR 8 N 0.00 2.61 -0.01 1.61 5.04 -1.26 -4.87 117.35 120.48 3d29 s TYR 8 Ca 0.00 0.81 0.01 0.00 -2.44 0.00 0.00 57.07 55.45 3d29 s TYR 8 Cb 0.00 -3.65 0.02 0.00 0.35 0.00 0.00 41.96 38.68 3d29 s TYR 8 CO 0.00 -2.20 1.01 -0.40 -1.34 0.00 0.00 175.55 172.61 3d29 n ASP 9 N 6.92 0.13 -4.65 4.32 5.75 -1.26 -4.19 116.55 123.57 3d29 n ASP 9 Ca 0.15 -2.05 -0.44 0.00 -0.01 0.00 0.00 54.79 52.43 3d29 n ASP 9 Cb 0.45 -0.21 -0.02 0.00 -1.03 0.00 0.00 41.12 40.31 3d29 n ASP 9 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3d29 n ARG 10 N -0.08 1.77 -2.50 0.11 0.00 -1.26 -3.47 116.66 111.23 3d29 n ARG 10 Ca 0.01 0.63 -0.42 0.00 -0.00 0.00 0.00 57.85 58.07 3d29 n ARG 10 Cb 0.70 -2.15 -0.03 0.00 0.00 0.00 0.00 32.46 30.98 3d29 n ARG 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3d29 s ALA 11 N -0.71 2.90 -0.03 5.13 0.00 -1.26 -0.01 121.76 127.77 3d29 s ALA 11 Ca 0.62 -0.82 0.10 0.00 0.00 0.00 0.00 51.96 51.85 3d29 s ALA 11 Cb -0.66 -4.09 -0.23 0.00 0.00 0.00 0.00 23.12 18.14 3d29 s ALA 11 CO 0.57 -2.83 0.73 -0.07 0.00 0.00 0.00 175.76 174.16 3d29 h LEU 12 N 12.50 0.04 -8.31 0.00 3.38 -1.84 -3.43 115.31 117.65 3d29 h LEU 12 Ca -0.26 -0.09 -0.72 0.00 0.09 0.00 0.00 57.88 56.91 3d29 h LEU 12 Cb 1.07 -0.01 -0.24 0.00 0.09 0.00 0.00 40.66 41.56 3d29 h LEU 12 CO 1.19 1.08 -0.45 -0.44 0.09 0.00 0.00 178.44 179.91 3d29 s SER 13 N -6.27 5.86 0.18 -0.43 0.01 -1.26 -4.70 113.70 107.09 3d29 s SER 13 Ca -0.05 -1.19 0.00 0.00 1.31 0.00 0.00 55.95 56.02 3d29 s SER 13 Cb 0.08 -2.07 -0.04 0.00 0.21 0.00 0.00 66.02 64.20 3d29 s SER 13 CO 0.82 -0.49 0.06 0.27 0.41 0.00 0.00 173.24 174.31 3d29 s ILE 14 N 1.56 0.34 0.26 1.44 -5.25 -1.26 -4.83 121.20 113.47 3d29 s ILE 14 Ca 0.03 -1.97 -0.28 0.00 -0.99 0.00 0.00 60.65 57.45 3d29 s ILE 14 Cb -0.21 -2.27 -0.09 0.00 2.95 0.00 0.00 42.46 42.83 3d29 s ILE 14 CO 0.06 -0.29 0.92 -0.36 -1.79 0.00 0.00 174.94 173.48 3d29 s PHE 15 N -3.89 3.86 0.31 1.37 0.08 -1.26 -4.19 117.98 114.25 3d29 s PHE 15 Ca 0.30 1.82 0.08 0.00 0.12 0.00 0.00 56.93 59.25 3d29 s PHE 15 Cb 0.07 -2.93 -0.04 0.00 -0.57 0.00 0.00 43.02 39.56 3d29 s PHE 15 CO 0.07 0.37 0.17 -1.54 -0.10 0.00 0.00 175.22 174.18 3d29 s SER 16 N -1.36 4.97 0.17 1.36 1.04 -0.15 -4.92 113.70 114.80 3d29 s SER 16 Ca 0.44 -0.58 -0.04 0.00 0.48 0.00 0.00 55.95 56.25 3d29 s SER 16 Cb -0.23 -0.93 0.30 0.00 0.10 0.00 0.00 66.02 65.26 3d29 s SER 16 CO 0.28 -0.21 0.91 -2.65 0.98 0.00 0.00 173.24 172.55 3d29 n PRO 17 N -1.17 -0.05 0.00 4.02 -0.02 -1.26 0.10 135.00 136.62 3d29 n PRO 17 Ca -0.04 0.91 0.10 0.00 -2.02 0.00 0.00 63.50 62.44 3d29 n PRO 17 Cb 0.60 -1.37 0.57 0.00 -0.02 0.00 0.00 33.50 33.28 3d29 n PRO 17 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3d29 n ASP 18 N -4.92 0.00 -0.05 2.55 5.75 -1.26 -4.88 116.55 113.74 3d29 n ASP 18 Ca 0.10 -1.40 0.00 0.00 -0.01 0.00 0.00 54.79 53.49 3d29 n ASP 18 Cb 0.32 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 3d29 n ASP 18 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3d29 n GLY 19 N 0.79 0.65 3.62 6.12 0.00 0.29 -5.08 105.19 111.58 3d29 n GLY 19 Ca 0.14 -0.74 -0.27 0.00 0.00 0.00 0.00 46.02 45.15 3d29 n GLY 19 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3d29 s HIS 20 N -2.11 2.76 -0.65 1.61 3.76 -1.22 -4.83 115.29 114.61 3d29 s HIS 20 Ca 0.00 -0.17 -0.05 0.00 -0.15 0.00 0.00 55.06 54.70 3d29 s HIS 20 Cb 0.00 -1.36 0.17 0.00 1.11 0.00 0.00 32.58 32.50 3d29 s HIS 20 CO 0.00 0.50 0.48 0.42 -0.85 0.00 0.00 174.74 175.30 3d29 s ILE 21 N -1.64 4.01 0.28 0.60 -1.09 -1.26 -0.98 121.20 121.13 3d29 s ILE 21 Ca 0.26 -2.83 0.02 0.00 -2.23 0.00 0.00 60.65 55.87 3d29 s ILE 21 Cb -0.09 -3.59 0.27 0.00 -1.58 0.00 0.00 42.46 37.46 3d29 s ILE 21 CO 0.17 -0.89 1.76 -0.26 -1.23 0.00 0.00 174.94 174.49 3d29 h PHE 22 N 7.21 0.89 -0.26 3.97 0.04 -1.95 -1.22 116.94 125.62 3d29 h PHE 22 Ca -0.01 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 3d29 h PHE 22 Cb 0.97 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.85 3d29 h PHE 22 CO 0.75 0.19 0.12 1.96 -0.60 0.00 0.00 178.31 180.73 3d29 h GLN 23 N 0.67 0.35 -0.15 1.51 1.08 -1.88 0.36 115.11 117.05 3d29 h GLN 23 Ca 0.52 -0.03 -0.15 0.00 -1.45 0.00 0.00 58.65 57.53 3d29 h GLN 23 Cb 0.78 -0.07 0.01 0.00 -0.05 0.00 0.00 27.48 28.14 3d29 h GLN 23 CO -0.38 0.28 -0.50 0.28 -0.95 0.00 0.00 178.83 177.56 3d29 h VAL 24 N 0.35 1.34 -0.39 -0.54 2.07 -1.63 -2.20 116.25 115.26 3d29 h VAL 24 Ca 0.09 -1.77 -0.03 0.00 0.82 0.00 0.00 66.70 65.81 3d29 h VAL 24 Cb 0.05 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 3d29 h VAL 24 CO -0.01 0.54 0.13 -0.33 0.02 0.00 0.00 177.57 177.93 3d29 h GLU 25 N 0.24 0.59 0.00 1.57 5.08 -0.69 -1.50 114.58 119.88 3d29 h GLU 25 Ca -0.02 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3d29 h GLU 25 Cb 1.13 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 3d29 h GLU 25 CO 0.11 0.58 -0.01 1.88 -1.00 0.00 0.00 179.01 180.57 3d29 h TYR 26 N 0.48 0.00 -0.10 4.33 0.05 -0.33 -0.16 116.97 121.24 3d29 h TYR 26 Ca 0.13 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.78 3d29 h TYR 26 Cb 0.23 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.96 3d29 h TYR 26 CO 0.01 0.01 -0.52 0.00 -1.05 0.00 0.00 178.16 176.61 3d29 h ALA 27 N 1.99 0.95 -0.14 3.88 0.00 -0.61 -2.62 119.26 122.70 3d29 h ALA 27 Ca -0.00 -0.49 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 3d29 h ALA 27 Cb 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3d29 h ALA 27 CO 0.00 0.67 -0.56 -0.07 0.00 0.00 0.00 179.25 179.29 3d29 h LEU 28 N 0.21 0.47 -1.54 0.00 3.38 -0.68 -2.69 115.31 114.45 3d29 h LEU 28 Ca 0.01 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 3d29 h LEU 28 Cb 0.98 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 3d29 h LEU 28 CO 0.08 0.93 0.24 -0.33 0.09 0.00 0.00 178.44 179.45 3d29 h GLU 29 N 0.32 0.55 -0.20 1.13 4.39 -1.11 0.18 114.58 119.84 3d29 h GLU 29 Ca 0.00 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.56 3d29 h GLU 29 Cb 1.08 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.60 3d29 h GLU 29 CO 0.10 0.39 -0.31 0.00 -1.16 0.00 0.00 179.01 178.03 3d29 h ALA 30 N 1.71 1.10 -0.27 3.43 0.00 -1.16 -2.48 119.26 121.59 3d29 h ALA 30 Ca 0.15 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 3d29 h ALA 30 Cb -0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3d29 h ALA 30 CO -0.03 0.56 -0.37 0.28 0.00 0.00 0.00 179.25 179.69 3d29 h VAL 31 N 0.35 1.30 -0.67 0.00 2.07 -0.70 -2.93 116.25 115.68 3d29 h VAL 31 Ca 0.05 -1.56 0.05 0.00 0.82 0.00 0.00 66.70 66.05 3d29 h VAL 31 Cb 0.72 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 32.11 3d29 h VAL 31 CO 0.06 0.50 0.44 0.11 0.02 0.00 0.00 177.57 178.69 3d29 h LYS 32 N 0.47 0.71 0.00 1.57 1.57 -0.53 -0.85 116.57 119.51 3d29 h LYS 32 Ca 0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3d29 h LYS 32 Cb 0.96 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.11 3d29 h LYS 32 CO 0.09 0.47 0.00 -0.09 -0.57 0.00 0.00 179.45 179.35 3d29 h ARG 33 N 0.73 0.00 -7.24 3.15 2.43 -1.33 -2.25 114.38 109.86 3d29 h ARG 33 Ca 0.28 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.95 3d29 h ARG 33 Cb 0.17 0.00 0.07 0.00 -0.42 0.00 0.00 29.97 29.79 3d29 h ARG 33 CO -0.08 0.00 0.37 0.20 -1.51 0.00 0.00 179.97 178.95 3d29 s GLY 34 N -3.60 1.97 0.58 2.80 0.00 -0.32 -4.72 107.32 104.02 3d29 s GLY 34 Ca 0.08 0.28 -0.19 0.00 0.00 0.00 0.00 44.72 44.89 3d29 s GLY 34 CO 0.54 0.60 1.06 -1.30 0.00 0.00 0.00 173.10 174.00 3d29 n THR 35 N -2.40 3.73 -2.10 0.90 -2.24 -1.26 -0.07 114.28 110.84 3d29 n THR 35 Ca 0.08 -0.50 -0.36 0.00 -2.27 0.00 0.00 64.05 61.00 3d29 n THR 35 Cb 0.53 -1.26 0.02 0.00 -2.10 0.00 0.00 70.33 67.51 3d29 n THR 35 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d29 s ALA 37 N -1.57 -0.37 0.02 0.00 0.00 0.20 -1.24 121.76 118.81 3d29 s ALA 37 Ca 0.72 0.44 -0.07 0.00 0.00 0.00 0.00 51.96 53.05 3d29 s ALA 37 Cb -0.30 -0.26 -0.00 0.00 0.00 0.00 0.00 23.12 22.56 3d29 s ALA 37 CO 0.34 -0.08 0.14 0.54 0.00 0.00 0.00 175.76 176.70 3d29 s VAL 38 N 0.14 0.10 -0.06 0.00 0.11 0.48 -0.29 120.40 120.89 3d29 s VAL 38 Ca -0.01 -0.85 -0.04 0.00 -2.93 0.00 0.00 61.98 58.15 3d29 s VAL 38 Cb -0.02 -0.66 0.03 0.00 -1.53 0.00 0.00 36.38 34.20 3d29 s VAL 38 CO -0.00 -0.47 0.15 -0.83 -3.33 0.00 0.00 175.10 170.62 3d29 s GLY 39 N -1.74 -0.06 -0.03 6.54 0.00 0.79 -0.64 107.32 112.17 3d29 s GLY 39 Ca -0.10 0.60 0.02 0.00 0.00 0.00 0.00 44.72 45.24 3d29 s GLY 39 CO -0.01 0.78 -0.08 -1.34 0.00 0.00 0.00 173.10 172.45 3d29 s VAL 40 N 0.79 0.69 -0.21 1.40 -7.23 -0.61 -0.62 120.40 114.61 3d29 s VAL 40 Ca -0.06 -0.30 -0.09 0.00 -1.81 0.00 0.00 61.98 59.72 3d29 s VAL 40 Cb -0.08 -0.63 -0.04 0.00 0.56 0.00 0.00 36.38 36.19 3d29 s VAL 40 CO -0.04 0.22 0.10 -1.59 -0.31 0.00 0.00 175.10 173.49 3d29 s LYS 41 N 0.26 4.02 0.00 4.82 -2.85 -0.39 -1.10 119.74 124.51 3d29 s LYS 41 Ca -0.04 -0.31 0.00 0.00 -1.00 0.00 0.00 55.97 54.62 3d29 s LYS 41 Cb -0.09 -3.36 0.00 0.00 -2.06 0.00 0.00 37.83 32.33 3d29 s LYS 41 CO 0.00 0.18 0.00 0.41 0.10 0.00 0.00 175.35 176.04 3d29 n GLY 42 N 3.86 1.08 0.01 0.59 0.00 0.83 -4.62 105.19 106.95 3d29 n GLY 42 Ca -0.16 -1.61 0.11 0.00 0.00 0.00 0.00 46.02 44.36 3d29 n GLY 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3d29 n LYS 43 N 0.00 0.26 -1.15 1.61 4.81 -1.21 -4.48 118.16 118.00 3d29 n LYS 43 Ca 0.00 -0.05 -0.01 0.00 -0.87 0.00 0.00 58.31 57.38 3d29 n LYS 43 Cb 0.00 -1.54 -0.02 0.00 0.02 0.00 0.00 35.03 33.50 3d29 n LYS 43 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 3d29 n ASN 44 N -1.84 0.08 -3.70 3.14 6.94 -1.26 -4.77 115.26 113.84 3d29 n ASN 44 Ca 0.01 -1.93 0.02 0.00 -0.02 0.00 0.00 54.58 52.66 3d29 n ASN 44 Cb 0.43 -0.04 0.01 0.00 -2.36 0.00 0.00 39.78 37.81 3d29 n ASN 44 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3d29 s VAL 46 N -2.18 0.00 0.03 0.00 1.01 -0.91 -0.12 120.40 118.23 3d29 s VAL 46 Ca 0.23 -0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.27 3d29 s VAL 46 Cb 0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 36.11 3d29 s VAL 46 CO -0.01 -0.01 -0.21 -0.69 0.00 0.00 0.00 175.10 174.18 3d29 s VAL 47 N 0.06 1.68 -0.08 2.92 1.01 -0.26 -1.59 120.40 124.15 3d29 s VAL 47 Ca -0.00 -1.14 0.03 0.00 0.00 0.00 0.00 61.98 60.87 3d29 s VAL 47 Cb -0.01 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 34.93 3d29 s VAL 47 CO 0.00 0.27 -0.17 -0.76 0.00 0.00 0.00 175.10 174.44 3d29 s LEU 48 N -1.03 1.83 0.01 3.92 1.43 -0.76 -1.57 118.68 122.51 3d29 s LEU 48 Ca 0.08 -0.41 0.05 0.00 -1.03 0.00 0.00 54.13 52.82 3d29 s LEU 48 Cb -0.09 -1.07 -0.02 0.00 0.03 0.00 0.00 46.19 45.04 3d29 s LEU 48 CO 0.01 0.09 -0.16 -0.83 0.23 0.00 0.00 176.35 175.69 3d29 s GLY 49 N 0.53 0.85 0.06 -3.19 0.00 0.19 -1.42 107.32 104.34 3d29 s GLY 49 Ca -0.16 -0.80 0.03 0.00 0.00 0.00 0.00 44.72 43.79 3d29 s GLY 49 CO 0.06 -0.72 -0.10 0.00 0.00 0.00 0.00 173.10 172.34 3d29 s GLU 51 N -2.01 3.51 -0.20 0.00 -1.05 -0.37 -2.63 118.70 115.95 3d29 s GLU 51 Ca -0.03 -0.33 -0.05 0.00 -0.15 0.00 0.00 54.97 54.41 3d29 s GLU 51 Cb -0.08 -2.93 -0.02 0.00 -0.44 0.00 0.00 34.13 30.66 3d29 s GLU 51 CO 0.00 0.52 -0.00 1.03 0.95 0.00 0.00 175.26 177.76 3d29 s ARG 52 N -2.79 3.62 1.24 -4.83 0.52 0.88 -4.62 118.95 112.98 3d29 s ARG 52 Ca 0.37 -0.52 -0.18 0.00 -0.52 0.00 0.00 55.73 54.88 3d29 s ARG 52 Cb -0.12 -3.07 0.27 0.00 0.52 0.00 0.00 34.95 32.55 3d29 s ARG 52 CO 0.27 0.03 0.61 -2.13 0.02 0.00 0.00 175.30 174.10 3d29 n ARG 53 N 4.20 -3.32 -0.36 3.54 0.63 -1.26 -4.79 116.66 115.30 3d29 n ARG 53 Ca -0.17 -0.98 0.00 0.00 -0.92 0.00 0.00 57.85 55.78 3d29 n ARG 53 Cb 0.52 -1.78 0.00 0.00 0.45 0.00 0.00 32.46 31.64 3d29 n ARG 53 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3d29 n SER 54 N -3.72 0.00 0.26 6.15 7.64 -1.26 -4.90 113.62 117.80 3d29 n SER 54 Ca 0.08 -1.42 0.17 0.00 1.01 0.00 0.00 58.87 58.71 3d29 n SER 54 Cb 0.51 -0.08 0.91 0.00 -1.01 0.00 0.00 64.21 64.54 3d29 n SER 54 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3d29 h THR 55 N 5.27 0.41 -2.52 0.44 2.02 -2.07 -3.39 112.91 113.07 3d29 h THR 55 Ca 0.00 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 3d29 h THR 55 Cb 1.17 0.91 -0.25 0.00 -1.74 0.00 0.00 68.15 68.24 3d29 h THR 55 CO 0.00 0.00 -0.20 -0.76 0.37 0.00 0.00 175.52 174.93 3d29 s LEU 56 N -7.35 -0.16 -0.11 2.58 2.01 -1.26 -5.15 118.68 109.24 3d29 s LEU 56 Ca -0.05 1.02 -0.02 0.00 0.01 0.00 0.00 54.13 55.09 3d29 s LEU 56 Cb 0.15 1.61 0.04 0.00 0.01 0.00 0.00 46.19 47.99 3d29 s LEU 56 CO 0.52 -0.19 0.00 -0.75 1.01 0.00 0.00 176.35 176.94 3d29 s LYS 57 N 1.10 0.71 0.00 1.70 2.36 -1.26 -4.82 119.74 119.53 3d29 s LYS 57 Ca -0.07 -0.07 0.00 0.00 -2.55 0.00 0.00 55.97 53.28 3d29 s LYS 57 Cb -0.06 -1.35 0.00 0.00 -1.05 0.00 0.00 37.83 35.37 3d29 s LYS 57 CO -0.10 -0.39 0.00 -0.11 1.55 0.00 0.00 175.35 176.30 3d29 n LEU 58 N 5.10 0.00 -4.89 5.43 7.94 -1.26 -5.16 117.00 124.16 3d29 n LEU 58 Ca -0.08 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.53 3d29 n LEU 58 Cb 0.49 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.50 3d29 n LEU 58 CO 0.12 0.00 0.73 -1.10 -1.11 0.00 0.00 177.39 176.03 3d29 s GLN 59 N 0.00 2.58 -0.66 1.96 -0.21 -1.26 -5.02 119.66 117.05 3d29 s GLN 59 Ca 0.00 0.27 -0.10 0.00 0.02 0.00 0.00 55.36 55.55 3d29 s GLN 59 Cb 0.00 -2.04 0.17 0.00 1.00 0.00 0.00 33.01 32.14 3d29 s GLN 59 CO 0.00 -1.16 0.55 0.34 -2.12 0.00 0.00 175.29 172.90 3d29 s ASP 60 N -4.42 6.02 0.37 5.90 3.68 -1.26 -4.93 116.67 122.03 3d29 s ASP 60 Ca 0.59 -2.47 0.19 0.00 2.13 0.00 0.00 52.55 52.99 3d29 s ASP 60 Cb -0.11 -2.06 1.03 0.00 -1.45 0.00 0.00 42.92 40.33 3d29 s ASP 60 CO 0.50 -0.57 1.53 0.71 0.13 0.00 0.00 175.17 177.47 3d29 h THR 61 N 5.35 0.00 0.08 1.71 1.35 -1.95 -2.12 112.91 117.33 3d29 h THR 61 Ca -0.04 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.82 3d29 h THR 61 Cb 1.03 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 3d29 h THR 61 CO 0.79 0.00 -0.04 0.03 -0.25 0.00 0.00 175.52 176.06 3d29 h ARG 62 N 0.00 -0.10 0.02 4.72 3.08 -2.03 -3.37 114.38 116.70 3d29 h ARG 62 Ca 0.00 0.01 -0.29 0.00 0.07 0.00 0.00 59.98 59.76 3d29 h ARG 62 Cb 0.37 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 3d29 h ARG 62 CO 0.00 0.33 -1.68 -0.84 -1.07 0.00 0.00 179.97 176.71 3d29 h ILE 62 N -0.56 0.90 -2.24 2.04 3.07 -1.90 -3.47 117.51 115.35 3d29 h ILE 62 Ca -0.01 -2.72 -0.58 0.00 1.55 0.00 0.00 64.86 63.10 3d29 h ILE 62 Cb 0.47 2.48 0.03 0.00 -0.27 0.00 0.00 36.82 39.53 3d29 h ILE 62 CO 0.02 0.58 1.04 0.41 -1.05 0.00 0.00 178.15 179.15 3d29 n THR 63 N -3.14 0.40 -1.60 0.16 -1.04 -0.83 -4.86 114.28 103.37 3d29 n THR 63 Ca -0.17 -0.07 -0.50 0.00 -2.04 0.00 0.00 64.05 61.26 3d29 n THR 63 Cb 1.04 -1.89 -0.05 0.00 -1.82 0.00 0.00 70.33 67.61 3d29 n THR 63 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3d29 n PRO 64 N 5.66 1.32 -1.66 -2.82 -0.04 -1.26 -4.93 135.00 131.27 3d29 n PRO 64 Ca 0.20 0.48 -0.30 0.00 -0.04 0.00 0.00 63.50 63.84 3d29 n PRO 64 Cb 0.32 -2.11 0.18 0.00 -0.04 0.00 0.00 33.50 31.85 3d29 n PRO 64 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3d29 s SER 65 N 0.45 2.84 0.00 3.54 1.04 -1.26 -5.01 113.70 115.30 3d29 s SER 65 Ca 0.81 0.54 0.22 0.00 0.48 0.00 0.00 55.95 58.00 3d29 s SER 65 Cb -0.89 -0.78 -0.20 0.00 0.10 0.00 0.00 66.02 64.25 3d29 s SER 65 CO 0.47 -2.92 0.78 1.17 0.98 0.00 0.00 173.24 173.72 3d29 n LYS 66 N -3.94 0.31 -3.74 4.02 3.00 -1.26 -4.84 118.16 111.70 3d29 n LYS 66 Ca 0.12 -0.07 -0.37 0.00 -0.00 0.00 0.00 58.31 57.99 3d29 n LYS 66 Cb 0.60 -1.53 -0.12 0.00 0.00 0.00 0.00 35.03 33.97 3d29 n LYS 66 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3d29 s VAL 67 N -3.23 4.20 -0.03 3.15 1.01 -1.26 -4.04 120.40 120.20 3d29 s VAL 67 Ca 0.01 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.59 3d29 s VAL 67 Cb 0.15 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 3d29 s VAL 67 CO 0.87 0.20 -0.06 -0.44 0.00 0.00 0.00 175.10 175.67 3d29 s SER 68 N 1.57 4.73 -0.16 3.32 0.01 0.12 -4.91 113.70 118.37 3d29 s SER 68 Ca 0.05 -0.06 -0.21 0.00 1.31 0.00 0.00 55.95 57.03 3d29 s SER 68 Cb -0.16 -1.17 -0.03 0.00 0.21 0.00 0.00 66.02 64.87 3d29 s SER 68 CO 0.03 0.32 0.63 -0.54 0.41 0.00 0.00 173.24 174.09 3d29 s LYS 69 N -1.17 4.27 -0.09 12.44 1.02 -1.26 0.86 119.74 135.80 3d29 s LYS 69 Ca 0.15 0.66 -0.06 0.00 0.02 0.00 0.00 55.97 56.74 3d29 s LYS 69 Cb -0.11 -3.54 -0.27 0.00 -0.52 0.00 0.00 37.83 33.39 3d29 s LYS 69 CO 0.05 -0.14 0.47 0.82 -0.92 0.00 0.00 175.35 175.63 3d29 h ILE 70 N 5.05 0.72 -3.25 2.17 1.08 -1.39 -3.48 117.51 118.40 3d29 h ILE 70 Ca -0.34 -2.42 -0.19 0.00 -0.39 0.00 0.00 64.86 61.52 3d29 h ILE 70 Cb 1.16 2.57 -0.05 0.00 -3.07 0.00 0.00 36.82 37.43 3d29 h ILE 70 CO 0.77 0.87 -0.14 -0.67 -0.69 0.00 0.00 178.15 178.29 3d29 n ASP 71 N -3.47 -0.64 0.00 1.72 4.64 -1.15 -4.54 116.55 113.10 3d29 n ASP 71 Ca -0.29 -2.10 0.11 0.00 -1.38 0.00 0.00 54.79 51.13 3d29 n ASP 71 Cb 1.05 1.26 0.49 0.00 -1.04 0.00 0.00 41.12 42.88 3d29 n ASP 71 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 3d29 n SER 72 N -1.99 0.00 0.00 1.67 3.41 -1.26 -3.26 113.62 112.20 3d29 n SER 72 Ca 0.02 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 3d29 n SER 72 Cb 0.33 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 3d29 n SER 72 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d29 n HIS 73 N -1.43 0.00 -3.80 7.33 1.44 -1.26 -4.23 115.22 113.27 3d29 n HIS 73 Ca 0.07 -0.36 -0.13 0.00 -2.01 0.00 0.00 57.72 55.29 3d29 n HIS 73 Cb 0.23 -0.04 -0.14 0.00 0.12 0.00 0.00 29.99 30.17 3d29 n HIS 73 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3d29 s VAL 74 N -0.72 -0.02 0.23 0.61 1.01 -1.20 -2.60 120.40 117.71 3d29 s VAL 74 Ca 0.00 0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.12 3d29 s VAL 74 Cb 0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 36.14 3d29 s VAL 74 CO 0.00 0.03 -0.10 0.68 0.00 0.00 0.00 175.10 175.71 3d29 s VAL 75 N 0.48 1.63 -0.03 2.92 -7.23 0.03 -0.97 120.40 117.23 3d29 s VAL 75 Ca -0.03 -2.16 -0.01 0.00 -1.81 0.00 0.00 61.98 57.96 3d29 s VAL 75 Cb -0.05 -2.22 0.02 0.00 0.56 0.00 0.00 36.38 34.70 3d29 s VAL 75 CO -0.02 -0.47 0.06 -0.22 -0.31 0.00 0.00 175.10 174.15 3d29 s LEU 76 N -3.36 1.22 0.30 1.32 0.20 0.25 -1.42 118.68 117.19 3d29 s LEU 76 Ca 0.25 0.12 0.07 0.00 0.69 0.00 0.00 54.13 55.26 3d29 s LEU 76 Cb 0.02 0.11 -0.06 0.00 -0.43 0.00 0.00 46.19 45.82 3d29 s LEU 76 CO 0.09 -0.10 -0.05 -0.94 -0.29 0.00 0.00 176.35 175.06 3d29 s SER 77 N 0.78 2.97 0.30 3.68 1.04 -0.02 0.15 113.70 122.59 3d29 s SER 77 Ca -0.06 -1.22 -0.14 0.00 0.48 0.00 0.00 55.95 55.01 3d29 s SER 77 Cb -0.09 -0.21 0.01 0.00 0.10 0.00 0.00 66.02 65.84 3d29 s SER 77 CO -0.03 -0.35 0.60 0.72 0.98 0.00 0.00 173.24 175.17 3d29 s PHE 78 N -2.95 0.27 -0.02 5.02 -0.12 -1.26 -0.49 117.98 118.43 3d29 s PHE 78 Ca 0.31 -0.70 -0.01 0.00 -0.05 0.00 0.00 56.93 56.48 3d29 s PHE 78 Cb 0.04 0.41 0.03 0.00 -0.63 0.00 0.00 43.02 42.87 3d29 s PHE 78 CO 0.13 -1.19 0.05 -1.12 -0.05 0.00 0.00 175.22 173.04 3d29 s SER 79 N -3.03 0.02 0.00 1.98 0.01 -0.81 -4.79 113.70 107.09 3d29 s SER 79 Ca 0.19 0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.53 3d29 s SER 79 Cb -0.03 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.19 3d29 s SER 79 CO 0.11 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.26 3d29 n GLY 80 N 3.98 0.74 3.69 3.44 0.00 -1.26 -2.21 105.19 113.56 3d29 n GLY 80 Ca -0.25 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 3d29 n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d29 s LEU 81 N 0.00 4.38 0.05 0.99 1.43 0.05 -4.80 118.68 120.79 3d29 s LEU 81 Ca 0.00 2.63 -0.21 0.00 -1.03 0.00 0.00 54.13 55.52 3d29 s LEU 81 Cb 0.00 -3.57 -0.13 0.00 0.03 0.00 0.00 46.19 42.52 3d29 s LEU 81 CO 0.00 -0.94 1.47 0.78 0.23 0.00 0.00 176.35 177.89 3d29 h ASN 82 N 8.29 0.24 -0.71 2.29 -0.26 -1.97 -2.72 115.58 120.74 3d29 h ASN 82 Ca -0.44 -0.32 0.10 0.00 -0.56 0.00 0.00 56.30 55.07 3d29 h ASN 82 Cb 1.21 -0.06 -0.07 0.00 -1.06 0.00 0.00 38.32 38.33 3d29 h ASN 82 CO 0.94 0.50 0.34 0.00 -1.06 0.00 0.00 177.43 178.15 3d29 h ALA 83 N 0.75 0.97 -0.88 -0.83 0.00 -1.99 -1.67 119.26 115.61 3d29 h ALA 83 Ca 0.04 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3d29 h ALA 83 Cb 0.38 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3d29 h ALA 83 CO 0.01 -0.06 0.48 -0.44 0.00 0.00 0.00 179.25 179.24 3d29 h ASP 84 N 0.58 1.10 -0.43 0.00 3.45 -1.92 -2.89 116.42 116.32 3d29 h ASP 84 Ca 0.35 -0.10 -0.00 0.00 0.43 0.00 0.00 57.03 57.71 3d29 h ASP 84 Cb 0.38 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.85 3d29 h ASP 84 CO -0.28 0.88 0.27 0.77 -1.57 0.00 0.00 179.24 179.31 3d29 h SER 85 N 1.23 0.52 -0.59 6.45 4.64 -0.99 -2.64 113.55 122.16 3d29 h SER 85 Ca 0.31 -0.02 0.06 0.00 -0.47 0.00 0.00 61.79 61.66 3d29 h SER 85 Cb 0.03 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 61.93 3d29 h SER 85 CO -0.05 0.40 0.31 0.03 -0.87 0.00 0.00 176.83 176.65 3d29 h ARG 86 N 0.60 0.56 -0.24 4.77 3.08 -1.31 -0.16 114.38 121.69 3d29 h ARG 86 Ca 0.16 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.20 3d29 h ARG 86 Cb -0.02 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 3d29 h ARG 86 CO -0.03 0.37 0.09 0.82 -1.07 0.00 0.00 179.97 180.16 3d29 h ILE 87 N 0.58 0.95 -0.76 2.04 1.08 -1.57 -0.05 117.51 119.78 3d29 h ILE 87 Ca 0.27 -0.07 -0.06 0.00 -0.39 0.00 0.00 64.86 64.61 3d29 h ILE 87 Cb 0.18 0.72 -0.03 0.00 -3.07 0.00 0.00 36.82 34.62 3d29 h ILE 87 CO -0.18 0.04 0.25 -0.07 -0.69 0.00 0.00 178.15 177.50 3d29 h LEU 88 N 0.21 1.10 -0.59 1.44 3.38 -1.38 -2.17 115.31 117.30 3d29 h LEU 88 Ca 0.10 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 3d29 h LEU 88 Cb 0.06 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3d29 h LEU 88 CO -0.10 1.00 -0.13 0.40 0.09 0.00 0.00 178.44 179.70 3d29 h ILE 89 N 1.13 1.27 -0.16 1.22 2.04 -0.67 -1.62 117.51 120.72 3d29 h ILE 89 Ca 0.25 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.81 3d29 h ILE 89 Cb 0.29 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 3d29 h ILE 89 CO -0.01 0.45 0.05 -0.08 0.00 0.00 0.00 178.15 178.55 3d29 h GLU 90 N 0.87 0.25 -0.52 2.37 4.57 -0.87 -1.20 114.58 120.05 3d29 h GLU 90 Ca 0.13 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.27 3d29 h GLU 90 Cb 0.69 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.22 3d29 h GLU 90 CO 0.05 0.38 0.33 0.87 -1.18 0.00 0.00 179.01 179.46 3d29 h LYS 91 N 0.08 0.64 -0.77 1.92 1.57 -1.33 -0.81 116.57 117.87 3d29 h LYS 91 Ca 0.05 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3d29 h LYS 91 Cb 0.24 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 3d29 h LYS 91 CO -0.00 0.42 0.41 0.00 -0.57 0.00 0.00 179.45 179.72 3d29 h ALA 92 N 1.22 0.99 -0.45 3.86 0.00 -1.15 -0.44 119.26 123.28 3d29 h ALA 92 Ca 0.20 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3d29 h ALA 92 Cb -0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3d29 h ALA 92 CO -0.07 0.52 0.18 0.00 0.00 0.00 0.00 179.25 179.87 3d29 h ARG 93 N 1.08 0.68 -0.35 0.00 3.08 -0.74 -0.08 114.38 118.05 3d29 h ARG 93 Ca 0.27 -0.13 0.01 0.00 0.07 0.00 0.00 59.98 60.21 3d29 h ARG 93 Cb 0.05 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3d29 h ARG 93 CO -0.04 0.62 0.21 0.28 -1.07 0.00 0.00 179.97 179.97 3d29 h VAL 94 N 0.59 1.04 -0.43 2.04 2.07 -0.82 -2.13 116.25 118.61 3d29 h VAL 94 Ca 0.15 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 3d29 h VAL 94 Cb 0.20 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3d29 h VAL 94 CO -0.01 0.08 0.11 -0.08 0.02 0.00 0.00 177.57 177.69 3d29 h GLU 95 N 0.43 0.64 -0.77 1.57 4.57 -0.78 -1.78 114.58 118.46 3d29 h GLU 95 Ca 0.14 -0.11 -0.04 0.00 -1.18 0.00 0.00 59.36 58.17 3d29 h GLU 95 Cb -0.00 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.45 3d29 h GLU 95 CO -0.06 0.58 0.32 0.00 -1.18 0.00 0.00 179.01 178.67 3d29 h ALA 96 N 1.50 1.00 -0.33 2.92 0.00 -0.39 0.46 119.26 124.42 3d29 h ALA 96 Ca 0.14 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 3d29 h ALA 96 Cb 0.23 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3d29 h ALA 96 CO -0.00 0.61 -0.43 1.96 0.00 0.00 0.00 179.25 181.39 3d29 h GLN 97 N 1.11 0.87 -0.54 0.00 1.08 -1.01 -2.59 115.11 114.03 3d29 h GLN 97 Ca 0.26 -0.50 -0.04 0.00 -1.45 0.00 0.00 58.65 56.92 3d29 h GLN 97 Cb 0.20 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 3d29 h GLN 97 CO -0.02 1.14 0.17 1.03 -0.95 0.00 0.00 178.83 180.19 3d29 h SER 98 N 0.66 0.78 -0.87 1.46 0.87 -1.08 -2.01 113.55 113.36 3d29 h SER 98 Ca 0.04 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.38 3d29 h SER 98 Cb 1.03 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.74 3d29 h SER 98 CO 0.10 0.78 0.50 -0.74 -0.53 0.00 0.00 176.83 176.94 3d29 h HIS 99 N 0.74 1.18 -0.42 2.24 -0.00 -0.89 -0.20 115.15 117.81 3d29 h HIS 99 Ca 0.17 -0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.49 3d29 h HIS 99 Cb 0.28 -0.38 -0.02 0.00 -0.00 0.00 0.00 27.41 27.28 3d29 h HIS 99 CO 0.02 0.81 0.11 0.00 -0.00 0.00 0.00 177.93 178.86 3d29 h ARG 100 N 1.22 0.62 -0.01 5.26 3.08 -1.12 -0.18 114.38 123.24 3d29 h ARG 100 Ca 0.31 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 3d29 h ARG 100 Cb -0.00 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.94 3d29 h ARG 100 CO -0.05 0.56 -0.02 1.25 -1.07 0.00 0.00 179.97 180.64 3d29 h LEU 101 N 0.61 0.03 0.17 3.04 5.85 -0.53 -1.64 115.31 122.83 3d29 h LEU 101 Ca 0.14 -0.58 -0.23 0.00 0.84 0.00 0.00 57.88 58.05 3d29 h LEU 101 Cb 0.22 -0.01 0.03 0.00 0.37 0.00 0.00 40.66 41.26 3d29 h LEU 101 CO -0.00 0.60 -1.01 0.71 -0.34 0.00 0.00 178.44 178.40 3d29 h THR 102 N -0.54 1.43 -0.00 1.05 1.35 -0.99 -3.34 112.91 111.87 3d29 h THR 102 Ca 0.00 -2.55 0.00 0.00 -0.55 0.00 0.00 66.41 63.31 3d29 h THR 102 Cb 0.60 3.10 0.00 0.00 -1.73 0.00 0.00 68.15 70.12 3d29 h THR 102 CO 0.00 0.74 -0.46 0.18 -0.25 0.00 0.00 175.52 175.73 3d29 n LEU 103 N -4.00 0.70 -3.77 3.87 7.99 -0.09 -4.96 117.00 116.75 3d29 n LEU 103 Ca -0.14 -0.11 -0.24 0.00 -0.01 0.00 0.00 56.01 55.50 3d29 n LEU 103 Cb 0.90 -0.20 0.03 0.00 -0.11 0.00 0.00 43.42 44.05 3d29 n LEU 103 CO 0.52 0.16 0.00 -0.62 -1.51 0.00 0.00 177.39 175.94 3d29 n GLU 104 N -1.24 -5.25 -3.64 3.23 1.02 -0.62 -4.97 120.64 109.17 3d29 n GLU 104 Ca 0.07 0.62 -0.06 0.00 -0.02 0.00 0.00 57.16 57.77 3d29 n GLU 104 Cb 0.34 -5.31 -0.07 0.00 -0.02 0.00 0.00 31.44 26.38 3d29 n GLU 104 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3d29 s ASP 105 N -3.98 -0.37 0.74 1.62 3.68 -1.22 -5.05 116.67 112.09 3d29 s ASP 105 Ca 0.24 0.68 -0.13 0.00 2.13 0.00 0.00 52.55 55.48 3d29 s ASP 105 Cb -0.12 0.79 0.04 0.00 -1.45 0.00 0.00 42.92 42.19 3d29 s ASP 105 CO 0.81 -0.12 1.12 -2.16 0.13 0.00 0.00 175.17 174.96 3d29 s PRO 106 N 0.41 2.29 0.71 4.34 0.04 -1.26 -3.75 135.00 137.78 3d29 s PRO 106 Ca 0.01 1.38 -0.16 0.00 0.04 0.00 0.00 61.00 62.27 3d29 s PRO 106 Cb -0.05 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.64 3d29 s PRO 106 CO -0.10 -1.65 1.24 0.14 0.04 0.00 0.00 177.00 176.67 3d29 s VAL 107 N -2.54 2.17 0.32 -0.36 -7.23 -1.26 -4.75 120.40 106.75 3d29 s VAL 107 Ca 0.66 0.09 -0.06 0.00 -1.81 0.00 0.00 61.98 60.86 3d29 s VAL 107 Cb -0.21 -2.77 -0.05 0.00 0.56 0.00 0.00 36.38 33.91 3d29 s VAL 107 CO 0.49 -0.04 0.61 0.42 -0.31 0.00 0.00 175.10 176.28 3d29 s THR 108 N -1.81 4.96 0.33 5.32 -4.23 -1.26 -4.57 115.64 114.38 3d29 s THR 108 Ca 0.77 0.19 0.01 0.00 -1.18 0.00 0.00 61.69 61.48 3d29 s THR 108 Cb -0.32 -3.74 0.27 0.00 1.34 0.00 0.00 72.50 70.06 3d29 s THR 108 CO 0.44 -0.38 1.98 0.58 -0.54 0.00 0.00 174.62 176.69 3d29 h VAL 109 N 1.26 1.14 -0.34 2.29 2.07 -1.93 -1.15 116.25 119.59 3d29 h VAL 109 Ca -0.48 -0.33 -0.11 0.00 0.82 0.00 0.00 66.70 66.61 3d29 h VAL 109 Cb 1.19 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3d29 h VAL 109 CO 0.65 0.17 -0.22 -0.08 0.02 0.00 0.00 177.57 178.11 3d29 h GLU 110 N 0.95 0.67 -0.02 1.57 4.22 -1.97 -0.81 114.58 119.18 3d29 h GLU 110 Ca 0.29 -0.26 -0.01 0.00 0.08 0.00 0.00 59.36 59.47 3d29 h GLU 110 Cb -0.01 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 3d29 h GLU 110 CO -0.08 0.84 -0.01 -0.92 -2.18 0.00 0.00 179.01 176.66 3d29 h TYR 111 N 0.59 0.05 -0.64 0.92 3.20 -1.74 -0.12 116.97 119.23 3d29 h TYR 111 Ca 0.08 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.97 3d29 h TYR 111 Cb 0.70 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.92 3d29 h TYR 111 CO 0.03 0.43 0.42 1.25 -1.64 0.00 0.00 178.16 178.65 3d29 h LEU 112 N -0.35 0.68 -0.08 2.82 7.12 -1.18 -0.54 115.31 123.77 3d29 h LEU 112 Ca 0.00 -0.01 -0.02 0.00 0.13 0.00 0.00 57.88 57.99 3d29 h LEU 112 Cb 0.42 -0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 40.38 3d29 h LEU 112 CO 0.00 0.48 -0.02 0.74 -0.13 0.00 0.00 178.44 179.51 3d29 h THR 113 N 0.79 1.28 -0.81 1.05 2.02 -0.98 -2.16 112.91 114.10 3d29 h THR 113 Ca 0.25 -0.91 0.06 0.00 0.77 0.00 0.00 66.41 66.58 3d29 h THR 113 Cb 0.01 1.72 -0.05 0.00 -1.74 0.00 0.00 68.15 68.09 3d29 h THR 113 CO -0.06 0.25 0.53 -0.09 0.37 0.00 0.00 175.52 176.52 3d29 h ARG 114 N -0.16 0.87 0.23 6.66 2.43 -0.39 -0.31 114.38 123.70 3d29 h ARG 114 Ca 0.02 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3d29 h ARG 114 Cb 0.41 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3d29 h ARG 114 CO 0.01 0.57 -0.11 -0.92 -1.51 0.00 0.00 179.97 178.01 3d29 h TYR 115 N 0.89 -0.29 -0.61 2.20 3.20 -0.93 -1.53 116.97 119.90 3d29 h TYR 115 Ca 0.35 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.26 3d29 h TYR 115 Cb 0.22 0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.53 3d29 h TYR 115 CO -0.00 -0.02 0.34 0.28 -1.64 0.00 0.00 178.16 177.12 3d29 h VAL 116 N -0.54 0.99 -0.72 1.81 2.07 -0.93 -1.61 116.25 117.33 3d29 h VAL 116 Ca -0.03 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3d29 h VAL 116 Cb 0.40 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 3d29 h VAL 116 CO 0.05 0.12 0.42 0.00 0.02 0.00 0.00 177.57 178.18 3d29 h ALA 117 N 1.30 1.39 -0.52 1.67 0.00 -1.03 -2.29 119.26 119.78 3d29 h ALA 117 Ca 0.26 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3d29 h ALA 117 Cb 0.13 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3d29 h ALA 117 CO -0.15 0.52 0.18 0.78 0.00 0.00 0.00 179.25 180.58 3d29 h GLY 118 N 1.03 0.86 0.74 0.00 0.00 -0.34 -0.40 103.07 104.96 3d29 h GLY 118 Ca 0.26 -0.50 0.05 0.00 0.00 0.00 0.00 47.33 47.14 3d29 h GLY 118 CO -0.05 0.47 0.44 -2.08 0.00 0.00 0.00 176.54 175.32 3d29 h VAL 119 N 0.71 1.02 -0.42 4.60 2.07 -0.91 0.15 116.25 123.47 3d29 h VAL 119 Ca 0.17 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 3d29 h VAL 119 Cb 0.25 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 3d29 h VAL 119 CO -0.01 0.15 0.01 1.56 0.02 0.00 0.00 177.57 179.30 3d29 h GLN 120 N 0.82 0.74 -0.26 1.57 4.20 -1.00 -2.54 115.11 118.63 3d29 h GLN 120 Ca 0.32 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3d29 h GLN 120 Cb 0.14 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3d29 h GLN 120 CO -0.16 0.81 0.17 0.37 -0.67 0.00 0.00 178.83 179.35 3d29 h GLN 121 N 0.57 0.35 -0.90 1.46 -0.00 -0.34 -1.96 115.11 114.29 3d29 h GLN 121 Ca 0.12 -0.02 0.14 0.00 -0.00 0.00 0.00 58.65 58.89 3d29 h GLN 121 Cb 0.47 -0.08 -0.07 0.00 0.00 0.00 0.00 27.48 27.80 3d29 h GLN 121 CO 0.02 0.23 0.58 -0.09 0.00 0.00 0.00 178.83 179.57 3d29 h ARG 122 N 0.36 0.68 0.00 1.69 2.43 -0.62 0.27 114.38 119.18 3d29 h ARG 122 Ca 0.10 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3d29 h ARG 122 Cb -0.04 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 3d29 h ARG 122 CO -0.02 0.45 0.00 0.66 -1.51 0.00 0.00 179.97 179.55 3d29 n TYR 123 N -4.57 0.00 0.61 2.20 4.02 -0.75 -2.44 117.16 116.24 3d29 n TYR 123 Ca 0.18 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 58.13 3d29 n TYR 123 Cb 0.47 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.75 3d29 n TYR 123 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3d29 n THR 124 N -0.66 0.00 -2.74 -0.72 -2.24 0.94 -3.37 114.28 105.49 3d29 n THR 124 Ca 0.06 -0.28 -0.04 0.00 -2.27 0.00 0.00 64.05 61.53 3d29 n THR 124 Cb 0.03 1.08 0.06 0.00 -2.10 0.00 0.00 70.33 69.40 3d29 n THR 124 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d29 n GLN 125 N -0.72 1.43 -4.53 -0.78 10.64 -1.02 -4.67 117.38 117.74 3d29 n GLN 125 Ca 0.04 -2.97 -0.22 0.00 -1.83 0.00 0.00 57.00 52.02 3d29 n GLN 125 Cb 0.25 -1.07 -0.16 0.00 -0.86 0.00 0.00 30.24 28.40 3d29 n GLN 125 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 3d29 s SER 126 N -2.98 1.51 0.52 2.61 0.01 -1.16 -5.04 113.70 109.16 3d29 s SER 126 Ca 0.24 -0.24 -0.21 0.00 1.31 0.00 0.00 55.95 57.06 3d29 s SER 126 Cb 0.39 -0.43 -0.06 0.00 0.21 0.00 0.00 66.02 66.13 3d29 s SER 126 CO -0.03 0.09 1.16 -0.83 0.41 0.00 0.00 173.24 174.04 3d29 s GLY 127 N 0.18 2.71 0.00 3.44 0.00 -1.26 -3.76 107.32 108.63 3d29 s GLY 127 Ca -0.04 0.91 0.00 0.00 0.00 0.00 0.00 44.72 45.59 3d29 s GLY 127 CO 0.01 1.31 0.00 0.61 0.00 0.00 0.00 173.10 175.03 3d29 n GLY 128 N 0.33 0.46 3.07 0.20 0.00 0.98 -4.71 105.19 105.52 3d29 n GLY 128 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 3d29 n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3d29 s VAL 129 N -2.02 0.43 0.21 1.61 -7.23 -1.25 -4.91 120.40 107.24 3d29 s VAL 129 Ca 0.00 -1.33 0.06 0.00 -1.81 0.00 0.00 61.98 58.89 3d29 s VAL 129 Cb 0.00 -0.89 -0.04 0.00 0.56 0.00 0.00 36.38 36.01 3d29 s VAL 129 CO 0.00 -0.61 0.19 0.00 -0.31 0.00 0.00 175.10 174.38 3d29 s ARG 130 N -2.38 3.00 0.85 4.82 1.70 -1.26 -4.62 118.95 121.05 3d29 s ARG 130 Ca -0.04 -0.92 -0.10 0.00 -0.47 0.00 0.00 55.73 54.20 3d29 s ARG 130 Cb -0.04 -2.66 0.10 0.00 -0.57 0.00 0.00 34.95 31.79 3d29 s ARG 130 CO -0.03 0.45 1.11 -2.14 -1.08 0.00 0.00 175.30 173.61 3d29 s PRO 131 N -3.49 1.62 0.03 3.89 0.02 -1.22 -4.91 135.00 130.95 3d29 s PRO 131 Ca 0.32 1.29 -0.30 0.00 0.02 0.00 0.00 61.00 62.33 3d29 s PRO 131 Cb -0.09 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.57 3d29 s PRO 131 CO 0.25 -2.13 1.10 -0.06 -0.33 0.00 0.00 177.00 175.83 3d29 s PHE 132 N -2.80 3.53 -1.35 6.54 0.40 -1.26 -4.91 117.98 118.13 3d29 s PHE 132 Ca 0.64 1.48 -0.08 0.00 -0.60 0.00 0.00 56.93 58.36 3d29 s PHE 132 Cb -0.20 -3.29 -0.02 0.00 0.51 0.00 0.00 43.02 40.03 3d29 s PHE 132 CO 0.57 -0.71 2.81 0.41 0.70 0.00 0.00 175.22 179.00 3d29 n GLY 133 N 3.08 4.50 3.17 4.36 0.00 -1.26 -4.48 105.19 114.56 3d29 n GLY 133 Ca 0.08 -1.69 -0.13 0.00 0.00 0.00 0.00 46.02 44.28 3d29 n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d29 s VAL 134 N 0.73 0.01 -0.02 1.61 1.01 -1.26 -0.77 120.40 121.72 3d29 s VAL 134 Ca 0.64 -0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.59 3d29 s VAL 134 Cb 0.20 -0.42 -0.01 0.00 0.00 0.00 0.00 36.38 36.15 3d29 s VAL 134 CO -0.08 -0.05 -0.20 -0.44 0.00 0.00 0.00 175.10 174.33 3d29 s SER 135 N -0.09 2.41 0.34 3.32 0.01 -0.94 -3.25 113.70 115.50 3d29 s SER 135 Ca -0.02 -0.37 0.08 0.00 1.31 0.00 0.00 55.95 56.94 3d29 s SER 135 Cb -0.03 -0.30 -0.07 0.00 0.21 0.00 0.00 66.02 65.84 3d29 s SER 135 CO 0.01 0.25 -0.06 0.42 0.41 0.00 0.00 173.24 174.27 3d29 s THR 136 N -0.44 1.99 -0.12 1.44 -4.23 0.31 -1.91 115.64 112.67 3d29 s THR 136 Ca 0.07 -2.14 -0.01 0.00 -1.18 0.00 0.00 61.69 58.44 3d29 s THR 136 Cb -0.08 -2.67 0.03 0.00 1.34 0.00 0.00 72.50 71.11 3d29 s THR 136 CO -0.01 -0.18 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.08 3d29 s LEU 137 N -3.58 1.15 -0.11 4.79 1.43 0.36 -1.28 118.68 121.44 3d29 s LEU 137 Ca 0.32 -0.33 0.03 0.00 -1.03 0.00 0.00 54.13 53.13 3d29 s LEU 137 Cb 0.04 -0.79 -0.00 0.00 0.03 0.00 0.00 46.19 45.47 3d29 s LEU 137 CO 0.16 -0.14 -0.21 -0.63 0.23 0.00 0.00 176.35 175.76 3d29 s ILE 138 N 1.74 2.35 0.03 -0.59 1.01 0.21 -0.84 121.20 125.11 3d29 s ILE 138 Ca 0.04 -0.92 -0.10 0.00 0.00 0.00 0.00 60.65 59.68 3d29 s ILE 138 Cb -0.13 -1.92 0.01 0.00 0.01 0.00 0.00 42.46 40.42 3d29 s ILE 138 CO -0.08 0.55 0.20 0.00 0.00 0.00 0.00 174.94 175.61 3d29 s ALA 139 N 0.34 -0.40 0.00 9.38 0.00 -0.51 -0.55 121.76 130.02 3d29 s ALA 139 Ca -0.17 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.61 3d29 s ALA 139 Cb -0.17 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.17 3d29 s ALA 139 CO 0.08 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.93 3d29 n GLY 140 N 0.91 -0.52 2.97 0.00 0.00 -0.85 -0.79 105.19 106.91 3d29 n GLY 140 Ca -0.20 -0.92 -0.24 0.00 0.00 0.00 0.00 46.02 44.66 3d29 n GLY 140 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3d29 s PHE 141 N -3.08 1.28 0.95 1.61 0.08 -1.07 -1.55 117.98 116.20 3d29 s PHE 141 Ca 0.00 -0.49 -0.12 0.00 0.12 0.00 0.00 56.93 56.44 3d29 s PHE 141 Cb 0.00 -1.00 0.10 0.00 -0.57 0.00 0.00 43.02 41.54 3d29 s PHE 141 CO 0.00 -0.30 0.73 -0.25 -0.10 0.00 0.00 175.22 175.29 3d29 n ASP 142 N 4.11 -1.06 -4.71 1.36 8.00 -1.26 -4.83 116.55 118.16 3d29 n ASP 142 Ca -0.21 0.34 -0.43 0.00 0.71 0.00 0.00 54.79 55.20 3d29 n ASP 142 Cb 0.51 -1.32 -0.03 0.00 -0.02 0.00 0.00 41.12 40.27 3d29 n ASP 142 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3d29 n PRO 143 N -2.91 2.61 -2.87 -0.24 -0.02 -1.26 -2.14 135.00 128.17 3d29 n PRO 143 Ca 0.09 0.94 -0.21 0.00 -2.02 0.00 0.00 63.50 62.30 3d29 n PRO 143 Cb 0.53 -2.75 0.01 0.00 -0.02 0.00 0.00 33.50 31.27 3d29 n PRO 143 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3d29 n ARG 14 N 3.41 -3.50 -4.16 -0.52 1.74 -1.26 -4.98 116.66 107.39 3d29 n ARG 14 Ca 0.14 0.79 -0.16 0.00 -0.77 0.00 0.00 57.85 57.86 3d29 n ARG 14 Cb 0.34 -5.54 -0.12 0.00 -1.02 0.00 0.00 32.46 26.11 3d29 n ARG 14 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3d29 s ASP 144 N -2.46 1.18 0.00 0.55 3.68 -0.91 -5.05 116.67 113.66 3d29 s ASP 144 Ca 0.21 -0.49 0.10 0.00 2.13 0.00 0.00 52.55 54.50 3d29 s ASP 144 Cb -0.10 -0.03 0.02 0.00 -1.45 0.00 0.00 42.92 41.36 3d29 s ASP 144 CO 0.26 -0.09 0.67 -0.90 0.13 0.00 0.00 175.17 175.24 3d29 n ASP 14 N 1.70 1.36 -4.65 -0.34 3.85 -1.26 -4.44 116.55 112.77 3d29 n ASP 14 Ca -0.20 -1.18 -0.43 0.00 -0.71 0.00 0.00 54.79 52.27 3d29 n ASP 14 Cb 0.55 0.35 -0.02 0.00 -1.35 0.00 0.00 41.12 40.65 3d29 n ASP 14 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 3d29 s GLU 145 N -1.21 4.14 0.48 0.11 2.12 -1.26 -4.77 118.70 118.31 3d29 s GLU 145 Ca 0.09 1.43 -0.24 0.00 0.36 0.00 0.00 54.97 56.61 3d29 s GLU 145 Cb 0.08 -3.77 -0.07 0.00 0.26 0.00 0.00 34.13 30.63 3d29 s GLU 145 CO 0.21 -0.82 1.38 -1.25 -0.54 0.00 0.00 175.26 174.24 3d29 s PRO 146 N 3.63 3.52 -0.07 4.30 0.04 -1.26 -4.61 135.00 140.56 3d29 s PRO 146 Ca 0.52 2.30 0.04 0.00 0.04 0.00 0.00 61.00 63.90 3d29 s PRO 146 Cb -0.18 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 31.85 3d29 s PRO 146 CO 0.15 -0.91 -0.19 0.15 0.04 0.00 0.00 177.00 176.24 3d29 s LYS 147 N -2.60 2.21 -0.05 4.56 -0.14 -0.60 -5.02 119.74 118.10 3d29 s LYS 147 Ca 0.64 -0.68 -0.02 0.00 -1.36 0.00 0.00 55.97 54.56 3d29 s LYS 147 Cb -0.41 -1.81 0.04 0.00 -1.68 0.00 0.00 37.83 33.97 3d29 s LYS 147 CO 0.51 0.20 0.09 -1.17 -0.76 0.00 0.00 175.35 174.23 3d29 s LEU 148 N 0.23 0.60 0.09 3.17 2.96 -1.26 -2.01 118.68 122.47 3d29 s LEU 148 Ca -0.10 0.18 0.02 0.00 -0.22 0.00 0.00 54.13 54.00 3d29 s LEU 148 Cb -0.15 0.11 -0.04 0.00 0.50 0.00 0.00 46.19 46.61 3d29 s LEU 148 CO 0.05 -0.18 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.52 3d29 s TYR 149 N 1.51 0.87 -0.00 5.38 2.02 0.29 -1.91 117.35 125.50 3d29 s TYR 149 Ca -0.04 -0.91 0.01 0.00 -0.37 0.00 0.00 57.07 55.76 3d29 s TYR 149 Cb -0.12 -0.51 -0.00 0.00 -0.40 0.00 0.00 41.96 40.93 3d29 s TYR 149 CO -0.04 -0.16 -0.05 -1.14 -1.57 0.00 0.00 175.55 172.59 3d29 s GLN 150 N -3.77 0.38 0.09 -0.62 0.74 -0.45 -0.62 119.66 115.42 3d29 s GLN 150 Ca 0.11 -0.19 0.07 0.00 0.05 0.00 0.00 55.36 55.40 3d29 s GLN 150 Cb 0.05 -0.36 -0.03 0.00 1.10 0.00 0.00 33.01 33.76 3d29 s GLN 150 CO -0.05 0.10 -0.17 0.95 -0.55 0.00 0.00 175.29 175.57 3d29 s THR 151 N -0.16 1.40 0.27 -0.34 -4.23 -0.41 -2.41 115.64 109.77 3d29 s THR 151 Ca 0.01 -1.46 0.02 0.00 -1.18 0.00 0.00 61.69 59.08 3d29 s THR 151 Cb -0.02 -1.34 -0.05 0.00 1.34 0.00 0.00 72.50 72.42 3d29 s THR 151 CO -0.00 -0.18 0.07 -1.83 -0.54 0.00 0.00 174.62 172.14 3d29 s GLU 152 N -1.93 1.47 0.32 3.99 -1.05 -1.00 -0.53 118.70 119.97 3d29 s GLU 152 Ca 0.03 -1.79 0.07 0.00 -0.15 0.00 0.00 54.97 53.13 3d29 s GLU 152 Cb -0.09 -0.48 0.90 0.00 -0.44 0.00 0.00 34.13 34.02 3d29 s GLU 152 CO 0.03 -0.24 1.61 -1.35 0.95 0.00 0.00 175.26 176.26 3d29 h PRO 153 N 2.32 0.11 -0.71 -4.83 0.11 -1.77 0.09 132.00 127.32 3d29 h PRO 153 Ca -0.39 -0.01 0.15 0.00 0.11 0.00 0.00 66.00 65.87 3d29 h PRO 153 Cb 1.24 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 3d29 h PRO 153 CO 0.64 0.07 0.48 0.66 -0.21 0.00 0.00 178.00 179.64 3d29 h SER 154 N 0.11 0.28 0.00 -2.05 4.64 -1.89 -3.39 113.55 111.26 3d29 h SER 154 Ca 0.65 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.98 3d29 h SER 154 Cb 1.45 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 3d29 h SER 154 CO -0.76 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 175.95 3d29 n GLY 155 N -1.56 0.95 3.83 -0.77 0.00 0.02 -4.22 105.19 103.45 3d29 n GLY 155 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 3d29 n GLY 155 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d29 s ILE 156 N -2.00 4.68 0.17 -0.61 1.01 -1.26 -4.57 121.20 118.62 3d29 s ILE 156 Ca 0.00 1.05 -0.07 0.00 0.00 0.00 0.00 60.65 61.63 3d29 s ILE 156 Cb 0.00 -3.75 -0.02 0.00 0.01 0.00 0.00 42.46 38.71 3d29 s ILE 156 CO 0.00 0.08 0.25 -0.72 0.00 0.00 0.00 174.94 174.56 3d29 s TYR 157 N -1.66 0.52 -0.06 3.97 1.13 -1.26 -2.36 117.35 117.62 3d29 s TYR 157 Ca 0.46 -0.88 -0.31 0.00 -1.41 0.00 0.00 57.07 54.92 3d29 s TYR 157 Cb -0.14 -0.14 0.12 0.00 -1.10 0.00 0.00 41.96 40.70 3d29 s TYR 157 CO 0.20 -0.70 1.18 -1.54 -2.51 0.00 0.00 175.55 172.17 3d29 s SER 158 N -3.00 -0.13 0.11 -0.18 1.04 -1.01 -4.99 113.70 105.54 3d29 s SER 158 Ca 0.20 -0.10 -0.03 0.00 0.48 0.00 0.00 55.95 56.51 3d29 s SER 158 Cb 0.04 0.21 -0.05 0.00 0.10 0.00 0.00 66.02 66.32 3d29 s SER 158 CO 0.02 -0.37 0.31 -0.94 0.98 0.00 0.00 173.24 173.24 3d29 s SER 159 N -2.61 6.43 0.06 7.02 1.04 -1.26 -1.34 113.70 123.04 3d29 s SER 159 Ca 0.11 0.45 0.02 0.00 0.48 0.00 0.00 55.95 57.01 3d29 s SER 159 Cb 0.01 -2.03 -0.03 0.00 0.10 0.00 0.00 66.02 64.07 3d29 s SER 159 CO -0.04 0.09 -0.07 0.26 0.98 0.00 0.00 173.24 174.46 3d29 s TRP 160 N -1.62 0.73 0.19 5.02 0.52 -0.81 -4.98 118.94 117.99 3d29 s TRP 160 Ca 0.38 -0.61 0.03 0.00 0.02 0.00 0.00 56.10 55.92 3d29 s TRP 160 Cb -0.12 -0.43 0.07 0.00 -1.15 0.00 0.00 33.47 31.84 3d29 s TRP 160 CO 0.26 -0.10 1.43 0.77 0.02 0.00 0.00 176.95 179.33 3d29 h SER 161 N 4.09 0.26 -4.00 2.95 0.02 -1.93 -3.41 113.55 111.53 3d29 h SER 161 Ca -0.36 -0.19 0.02 0.00 -0.84 0.00 0.00 61.79 60.42 3d29 h SER 161 Cb 1.19 -0.08 -0.23 0.00 0.14 0.00 0.00 62.40 63.43 3d29 h SER 161 CO 0.47 0.95 0.35 0.00 -1.14 0.00 0.00 176.83 177.46 3d29 s ALA 162 N -3.38 -1.88 0.18 3.77 0.00 -1.26 -1.26 121.76 117.93 3d29 s ALA 162 Ca -0.03 1.71 -0.21 0.00 0.00 0.00 0.00 51.96 53.43 3d29 s ALA 162 Cb 0.11 -0.88 0.05 0.00 0.00 0.00 0.00 23.12 22.40 3d29 s ALA 162 CO 0.82 -0.31 0.58 -1.14 0.00 0.00 0.00 175.76 175.71 3d29 s GLN 163 N -0.40 1.34 0.02 0.00 2.00 0.20 -5.00 119.66 117.83 3d29 s GLN 163 Ca -0.02 -0.64 -0.07 0.00 -2.00 0.00 0.00 55.36 52.63 3d29 s GLN 163 Cb -0.03 0.57 -0.00 0.00 0.80 0.00 0.00 33.01 34.35 3d29 s GLN 163 CO 0.01 -0.58 0.14 -0.08 -0.50 0.00 0.00 175.29 174.28 3d29 s THR 164 N -3.80 0.10 0.13 -0.34 -1.32 -1.26 -0.15 115.64 108.99 3d29 s THR 164 Ca 0.04 -0.82 -0.05 0.00 -1.21 0.00 0.00 61.69 59.65 3d29 s THR 164 Cb -0.01 -0.63 -0.02 0.00 -1.51 0.00 0.00 72.50 70.32 3d29 s THR 164 CO -0.08 -0.45 0.16 0.27 -2.21 0.00 0.00 174.62 172.30 3d29 s ILE 165 N -1.89 0.11 0.00 5.08 -4.36 0.61 -4.95 121.20 115.80 3d29 s ILE 165 Ca -0.11 -1.56 0.00 0.00 -0.26 0.00 0.00 60.65 58.72 3d29 s ILE 165 Cb -0.05 -1.77 0.00 0.00 1.25 0.00 0.00 42.46 41.89 3d29 s ILE 165 CO -0.01 -0.50 0.00 0.61 0.24 0.00 0.00 174.94 175.28 3d29 n GLY 166 N -0.11 -1.50 3.77 6.27 0.00 -1.26 -0.62 105.19 111.74 3d29 n GLY 166 Ca -0.09 -2.08 -0.41 0.00 0.00 0.00 0.00 46.02 43.44 3d29 n GLY 166 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3d29 s ARG 167 N 0.00 4.30 -1.99 1.61 1.70 0.89 -2.31 118.95 123.16 3d29 s ARG 167 Ca 0.00 2.30 0.00 0.00 -0.47 0.00 0.00 55.73 57.56 3d29 s ARG 167 Cb 0.00 -3.05 0.00 0.00 -0.57 0.00 0.00 34.95 31.33 3d29 s ARG 167 CO 0.00 -0.27 0.00 0.09 -1.08 0.00 0.00 175.30 174.04 3d29 n ASN 168 N 0.78 -5.34 0.28 -2.89 5.03 -1.26 -4.39 115.26 107.47 3d29 n ASN 168 Ca 0.00 0.46 0.17 0.00 0.87 0.00 0.00 54.58 56.08 3d29 n ASN 168 Cb 0.41 -4.49 0.79 0.00 -1.02 0.00 0.00 39.78 35.48 3d29 n ASN 168 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 3d29 h SER 169 N 0.00 0.00 -0.32 6.41 4.64 -1.76 -1.97 113.55 120.56 3d29 h SER 169 Ca -0.38 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.91 3d29 h SER 169 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 3d29 h SER 169 CO 0.56 0.05 0.08 0.50 -0.87 0.00 0.00 176.83 177.15 3d29 h LYS 170 N 0.00 0.50 0.65 4.77 1.63 -1.87 -1.69 116.57 120.55 3d29 h LYS 170 Ca -0.00 -0.12 -0.03 0.00 -0.85 0.00 0.00 60.65 59.65 3d29 h LYS 170 Cb 0.38 -0.07 0.01 0.00 -0.60 0.00 0.00 32.23 31.95 3d29 h LYS 170 CO 0.01 0.56 -0.31 1.15 -3.45 0.00 0.00 179.45 177.41 3d29 h THR 171 N 0.35 0.00 -0.31 1.00 2.02 -1.76 -2.90 112.91 111.31 3d29 h THR 171 Ca 0.10 -0.07 0.09 0.00 0.77 0.00 0.00 66.41 67.30 3d29 h THR 171 Cb 0.29 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 3d29 h THR 171 CO 0.00 0.00 0.33 1.62 0.37 0.00 0.00 175.52 177.84 3d29 h VAL 172 N -0.94 0.43 -0.13 3.16 3.04 -1.49 -0.92 116.25 119.40 3d29 h VAL 172 Ca -0.09 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.51 3d29 h VAL 172 Cb 0.66 0.73 0.00 0.00 -2.01 0.00 0.00 31.29 30.68 3d29 h VAL 172 CO 0.15 0.00 -0.27 -0.09 -1.01 0.00 0.00 177.57 176.35 3d29 h ARG 173 N 0.00 0.41 -0.24 4.17 2.43 -1.23 -2.17 114.38 117.75 3d29 h ARG 173 Ca 0.15 -0.27 0.06 0.00 -0.81 0.00 0.00 59.98 59.11 3d29 h ARG 173 Cb 0.81 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.34 3d29 h ARG 173 CO -0.00 0.87 -0.18 0.93 -1.51 0.00 0.00 179.97 180.08 3d29 h GLU 174 N -0.00 -0.16 -0.63 0.20 3.07 -0.98 0.46 114.58 116.54 3d29 h GLU 174 Ca 0.00 0.01 0.13 0.00 -0.50 0.00 0.00 59.36 59.01 3d29 h GLU 174 Cb 0.86 0.04 -0.11 0.00 -0.84 0.00 0.00 28.75 28.70 3d29 h GLU 174 CO 0.06 -0.11 -0.03 0.35 -1.40 0.00 0.00 179.01 177.88 3d29 h PHE 175 N -0.17 -0.10 -0.21 4.33 3.57 -1.36 -1.12 116.94 121.89 3d29 h PHE 175 Ca 0.14 0.05 -0.14 0.00 3.53 0.00 0.00 57.97 61.54 3d29 h PHE 175 Cb 0.37 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 3d29 h PHE 175 CO -0.34 -0.19 -0.46 -0.07 -2.23 0.00 0.00 178.31 175.01 3d29 h LEU 176 N 0.09 0.57 -1.33 0.59 3.38 -0.42 -2.48 115.31 115.71 3d29 h LEU 176 Ca 0.33 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 3d29 h LEU 176 Cb 0.53 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3d29 h LEU 176 CO -0.56 0.95 -0.24 -0.33 0.09 0.00 0.00 178.44 178.34 3d29 h GLU 177 N 0.42 0.15 -0.63 1.13 5.08 0.10 -0.35 114.58 120.49 3d29 h GLU 177 Ca 0.03 -0.04 -0.39 0.00 -1.00 0.00 0.00 59.36 57.95 3d29 h GLU 177 Cb 0.97 -0.02 -0.24 0.00 0.50 0.00 0.00 28.75 29.97 3d29 h GLU 177 CO 0.09 0.39 -0.01 0.36 -1.00 0.00 0.00 179.01 178.83 3d29 n LYS 178 N -4.20 2.45 0.00 2.33 2.85 -0.62 -4.39 118.16 116.59 3d29 n LYS 178 Ca -0.01 -3.43 0.00 0.00 -1.05 0.00 0.00 58.31 53.82 3d29 n LYS 178 Cb 0.33 -2.05 0.00 0.00 -0.65 0.00 0.00 35.03 32.66 3d29 n LYS 178 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3d29 n ASN 179 N -0.99 0.00 -4.19 -5.58 3.02 -0.95 -4.99 115.26 101.58 3d29 n ASN 179 Ca 0.44 -0.59 -0.32 0.00 -0.03 0.00 0.00 54.58 54.08 3d29 n ASN 179 Cb 1.01 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 40.01 3d29 n ASN 179 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3d29 s TYR 180 N 0.00 2.65 -0.25 3.10 6.14 -0.17 -4.99 117.35 123.83 3d29 s TYR 180 Ca 0.00 -1.25 -0.03 0.00 0.64 0.00 0.00 57.07 56.43 3d29 s TYR 180 Cb 0.00 -1.80 0.02 0.00 0.42 0.00 0.00 41.96 40.60 3d29 s TYR 180 CO 0.00 -0.56 -0.03 0.34 0.64 0.00 0.00 175.55 175.94 3d29 s ASP 18 N 0.70 4.44 0.38 4.32 3.68 -1.26 -4.88 116.67 124.05 3d29 s ASP 18 Ca -0.10 -0.76 0.07 0.00 2.13 0.00 0.00 52.55 53.89 3d29 s ASP 18 Cb -0.16 -1.71 0.77 0.00 -1.45 0.00 0.00 42.92 40.37 3d29 s ASP 18 CO 0.01 -0.12 1.96 0.03 0.13 0.00 0.00 175.17 177.17 3d29 h ARG 18 N 8.07 0.40 -0.21 4.34 3.08 -1.99 -2.37 114.38 125.69 3d29 h ARG 18 Ca -0.34 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 59.70 3d29 h ARG 18 Cb 1.12 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 31.05 3d29 h ARG 18 CO 0.59 0.41 -0.13 0.87 -1.07 0.00 0.00 179.97 180.63 3d29 h LYS 18 N 0.40 -0.11 -2.99 0.04 1.79 -2.05 -3.34 116.57 110.31 3d29 h LYS 18 Ca 0.09 0.01 -0.61 0.00 -2.18 0.00 0.00 60.65 57.96 3d29 h LYS 18 Cb 0.22 0.03 -0.40 0.00 -1.58 0.00 0.00 32.23 30.49 3d29 h LYS 18 CO 0.00 -0.08 -0.73 -2.00 -1.08 0.00 0.00 179.45 175.57 3d29 s GLU 18 N -6.17 1.44 0.51 3.15 2.12 -0.92 -5.12 118.70 113.72 3d29 s GLU 18 Ca -0.14 -2.21 -0.20 0.00 0.36 0.00 0.00 54.97 52.78 3d29 s GLU 18 Cb 0.11 -2.47 -0.07 0.00 0.26 0.00 0.00 34.13 31.96 3d29 s GLU 18 CO 0.69 -1.19 1.09 -2.14 -0.54 0.00 0.00 175.26 173.17 3d29 s PRO 182 N 0.08 3.60 -0.50 4.30 0.02 -1.03 -4.48 135.00 137.00 3d29 s PRO 182 Ca 0.20 1.51 -0.05 0.00 0.02 0.00 0.00 61.00 62.67 3d29 s PRO 182 Cb -0.20 -2.09 -0.16 0.00 0.02 0.00 0.00 34.50 32.07 3d29 s PRO 182 CO -0.03 -0.63 1.58 -2.30 -0.33 0.00 0.00 177.00 175.30 3d29 n PRO 183 N -1.06 0.01 0.00 5.54 -0.02 -1.26 -4.45 135.00 133.76 3d29 n PRO 183 Ca 0.10 -0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 3d29 n PRO 183 Cb 0.51 -1.12 0.00 0.00 -0.02 0.00 0.00 33.50 32.87 3d29 n PRO 183 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d29 n ALA 184 N 5.60 1.11 -2.65 3.55 0.00 -1.26 -3.29 120.51 123.57 3d29 n ALA 184 Ca 0.33 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.57 3d29 n ALA 184 Cb 0.33 -0.83 -0.13 0.00 0.00 0.00 0.00 19.45 18.82 3d29 n ALA 184 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3d29 s THR 185 N -2.13 1.10 0.23 0.00 2.01 -1.26 -4.76 115.64 110.83 3d29 s THR 185 Ca 0.00 -1.00 -0.07 0.00 0.31 0.00 0.00 61.69 60.93 3d29 s THR 185 Cb 0.00 -1.00 0.20 0.00 0.01 0.00 0.00 72.50 71.71 3d29 s THR 185 CO 0.00 -0.00 1.86 0.58 -0.69 0.00 0.00 174.62 176.37 3d29 h VAL 186 N 4.50 1.09 0.07 3.82 2.07 -1.95 0.21 116.25 126.05 3d29 h VAL 186 Ca -0.38 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 3d29 h VAL 186 Cb 1.18 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3d29 h VAL 186 CO 0.44 0.18 -0.03 -0.08 0.02 0.00 0.00 177.57 178.09 3d29 h GLU 187 N 0.99 -0.09 0.00 1.57 4.81 -1.95 -1.05 114.58 118.86 3d29 h GLU 187 Ca 0.35 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 3d29 h GLU 187 Cb 0.08 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.48 3d29 h GLU 187 CO -0.14 0.20 0.00 1.05 -0.73 0.00 0.00 179.01 179.39 3d29 h GLU 188 N -0.38 0.00 0.18 1.92 4.11 -1.85 -1.37 114.58 117.19 3d29 h GLU 188 Ca -0.01 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.10 3d29 h GLU 188 Cb 0.33 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.62 3d29 h GLU 188 CO 0.02 0.00 -1.35 0.00 0.07 0.00 0.00 179.01 177.75 3d29 h VAL 190 N 0.23 0.90 0.17 0.00 2.07 -0.71 -2.87 116.25 116.04 3d29 h VAL 190 Ca -0.22 -1.56 -0.01 0.00 0.82 0.00 0.00 66.70 65.73 3d29 h VAL 190 Cb 2.03 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 33.75 3d29 h VAL 190 CO 0.26 0.38 -0.08 0.50 0.02 0.00 0.00 177.57 178.64 3d29 h LYS 191 N 0.00 -0.22 -0.75 1.57 3.64 -1.28 -1.36 116.57 118.17 3d29 h LYS 191 Ca -0.00 0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.53 3d29 h LYS 191 Cb 0.92 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.74 3d29 h LYS 191 CO 0.05 0.17 0.50 1.25 -2.27 0.00 0.00 179.45 179.14 3d29 h LEU 192 N -0.68 0.44 -0.16 5.20 5.85 -1.50 0.23 115.31 124.69 3d29 h LEU 192 Ca -0.02 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 3d29 h LEU 192 Cb 0.49 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 3d29 h LEU 192 CO 0.04 0.23 -0.21 0.74 -0.34 0.00 0.00 178.44 178.91 3d29 h THR 193 N 0.47 1.35 -0.17 1.05 2.02 -1.39 -1.72 112.91 114.53 3d29 h THR 193 Ca 0.36 -1.41 -0.10 0.00 0.77 0.00 0.00 66.41 66.03 3d29 h THR 193 Cb 0.75 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 69.05 3d29 h THR 193 CO -0.12 0.42 -0.32 0.58 0.37 0.00 0.00 175.52 176.44 3d29 h VAL 194 N 0.05 1.28 0.03 3.16 2.07 -0.25 -2.41 116.25 120.18 3d29 h VAL 194 Ca 0.02 -1.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.18 3d29 h VAL 194 Cb 0.77 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 3d29 h VAL 194 CO 0.05 0.42 -0.02 0.03 0.02 0.00 0.00 177.57 178.07 3d29 h ARG 195 N 0.29 -0.05 -0.16 1.57 3.08 -0.53 -1.58 114.38 117.01 3d29 h ARG 195 Ca 0.04 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.14 3d29 h ARG 195 Cb 0.72 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 3d29 h ARG 195 CO 0.05 0.13 0.12 0.66 -1.07 0.00 0.00 179.97 179.87 3d29 h SER 196 N -0.22 0.00 0.66 7.04 4.64 -1.13 -2.07 113.55 122.47 3d29 h SER 196 Ca -0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 3d29 h SER 196 Cb 0.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 3d29 h SER 196 CO 0.01 0.00 -1.31 -0.07 -0.87 0.00 0.00 176.83 174.59 3d29 h LEU 197 N 0.00 0.27 -1.99 5.97 3.38 -1.20 -3.28 115.31 118.45 3d29 h LEU 197 Ca 0.08 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 3d29 h LEU 197 Cb 0.31 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3d29 h LEU 197 CO -0.00 1.27 -0.10 -0.07 0.09 0.00 0.00 178.44 179.62 3d29 h LEU 198 N 0.05 0.00 -2.74 1.67 3.38 -0.57 0.62 115.31 117.72 3d29 h LEU 198 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3d29 h LEU 198 Cb 1.94 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.69 3d29 h LEU 198 CO 0.16 0.10 0.03 -0.33 0.09 0.00 0.00 178.44 178.50 3d29 h GLU 199 N 0.00 0.00 0.00 1.13 4.39 -1.57 -3.23 114.58 115.30 3d29 h GLU 199 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3d29 h GLU 199 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3d29 h GLU 199 CO 0.01 0.00 -0.56 0.28 -1.16 0.00 0.00 179.01 177.59 3d29 n VAL 200 N -3.34 0.00 0.20 3.13 0.31 -0.35 -4.80 118.33 113.48 3d29 n VAL 200 Ca -0.03 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.35 3d29 n VAL 200 Cb 0.11 -0.21 0.42 0.00 -0.91 0.00 0.00 33.84 33.25 3d29 n VAL 200 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3d29 h VAL 201 N 0.00 1.06 -5.45 2.52 2.07 0.14 -3.48 116.25 113.11 3d29 h VAL 201 Ca 0.00 -1.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.31 3d29 h VAL 201 Cb 0.33 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 3d29 h VAL 201 CO 0.00 0.32 -0.85 0.00 0.02 0.00 0.00 177.57 177.05 3d29 n GLN 202 N -3.90 -2.65 -2.78 1.57 1.13 -1.22 -4.42 117.38 105.11 3d29 n GLN 202 Ca -0.02 2.24 0.00 0.00 -1.94 0.00 0.00 57.00 57.28 3d29 n GLN 202 Cb 0.39 -4.72 0.00 0.00 0.11 0.00 0.00 30.24 26.03 3d29 n GLN 202 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3d29 n THR 203 N 0.37 -1.58 -3.04 5.09 -1.04 -1.26 -4.98 114.28 107.84 3d29 n THR 203 Ca 0.03 0.36 -0.15 0.00 -2.04 0.00 0.00 64.05 62.25 3d29 n THR 203 Cb 0.27 -2.51 -0.03 0.00 -1.82 0.00 0.00 70.33 66.24 3d29 n THR 203 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3d29 n GLY 206 N 1.36 0.80 0.32 3.41 0.00 -1.26 -4.98 105.19 104.84 3d29 n GLY 206 Ca 0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 46.02 45.55 3d29 n GLY 206 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d29 h ALA 207 N 5.06 0.97 -0.12 4.61 0.00 -1.93 -1.17 119.26 126.68 3d29 h ALA 207 Ca 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3d29 h ALA 207 Cb 1.01 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3d29 h ALA 207 CO 0.22 0.54 0.00 0.36 0.00 0.00 0.00 179.25 180.37 3d29 n LYS 208 N -4.38 1.65 -0.18 0.00 -0.00 -1.26 -3.42 118.16 110.57 3d29 n LYS 208 Ca 0.07 -0.97 0.07 0.00 -0.00 0.00 0.00 58.31 57.47 3d29 n LYS 208 Cb 0.14 -1.41 0.17 0.00 -0.00 0.00 0.00 35.03 33.93 3d29 n LYS 208 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3d29 n ASN 209 N 0.19 3.00 -3.86 -5.58 3.02 -0.49 -4.85 115.26 106.69 3d29 n ASN 209 Ca 0.17 -1.92 -0.27 0.00 -0.03 0.00 0.00 54.58 52.53 3d29 n ASN 209 Cb 0.31 -0.24 -0.17 0.00 -0.61 0.00 0.00 39.78 39.07 3d29 n ASN 209 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3d29 s ILE 210 N -1.04 0.91 -0.11 2.41 -1.09 -0.92 -0.09 121.20 121.28 3d29 s ILE 210 Ca 0.27 -0.39 0.03 0.00 -2.23 0.00 0.00 60.65 58.34 3d29 s ILE 210 Cb 0.15 -1.06 0.00 0.00 -1.58 0.00 0.00 42.46 39.97 3d29 s ILE 210 CO 0.20 0.20 -0.23 -1.83 -1.23 0.00 0.00 174.94 172.05 3d29 s GLU 211 N 1.73 3.05 0.09 2.79 -1.05 -1.08 -4.94 118.70 119.30 3d29 s GLU 211 Ca 0.03 -0.87 0.07 0.00 -0.15 0.00 0.00 54.97 54.05 3d29 s GLU 211 Cb -0.14 -2.35 -0.04 0.00 -0.44 0.00 0.00 34.13 31.16 3d29 s GLU 211 CO -0.07 0.12 -0.13 0.42 0.95 0.00 0.00 175.26 176.55 3d29 s ILE 212 N 0.49 3.17 -0.04 1.83 1.09 -1.26 -2.24 121.20 124.24 3d29 s ILE 212 Ca -0.15 -1.28 0.00 0.00 -1.10 0.00 0.00 60.65 58.13 3d29 s ILE 212 Cb -0.17 -2.45 0.03 0.00 -1.06 0.00 0.00 42.46 38.80 3d29 s ILE 212 CO 0.06 0.16 -0.01 -0.89 -0.10 0.00 0.00 174.94 174.16 3d29 s THR 213 N -1.14 0.27 -0.15 2.92 2.01 -0.50 -1.61 115.64 117.44 3d29 s THR 213 Ca 0.19 0.05 -0.05 0.00 0.31 0.00 0.00 61.69 62.20 3d29 s THR 213 Cb -0.11 -0.37 -0.03 0.00 0.01 0.00 0.00 72.50 72.00 3d29 s THR 213 CO 0.11 0.18 0.01 -0.69 -0.69 0.00 0.00 174.62 173.54 3d29 s VAL 214 N 1.15 4.37 -0.14 3.82 1.01 0.74 -1.83 120.40 129.52 3d29 s VAL 214 Ca -0.08 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.73 3d29 s VAL 214 Cb -0.14 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.34 3d29 s VAL 214 CO -0.02 0.51 -0.21 0.54 0.00 0.00 0.00 175.10 175.93 3d29 s VAL 215 N 0.01 2.15 0.32 2.92 0.11 -0.62 -1.82 120.40 123.47 3d29 s VAL 215 Ca 0.03 -0.95 0.10 0.00 -2.93 0.00 0.00 61.98 58.23 3d29 s VAL 215 Cb -0.13 -1.87 -0.05 0.00 -1.53 0.00 0.00 36.38 32.80 3d29 s VAL 215 CO 0.02 0.54 -0.05 -0.54 -3.33 0.00 0.00 175.10 171.74 3d29 s LYS 216 N 0.81 1.99 0.63 1.54 1.02 0.11 -2.14 119.74 123.70 3d29 s LYS 216 Ca -0.07 -1.73 -0.18 0.00 0.02 0.00 0.00 55.97 54.00 3d29 s LYS 216 Cb -0.16 -1.90 -0.02 0.00 -0.52 0.00 0.00 37.83 35.23 3d29 s LYS 216 CO -0.02 0.21 1.19 -2.30 -0.92 0.00 0.00 175.35 173.51 3d29 n PRO 217 N -0.86 1.08 -2.62 -1.68 -0.02 -1.26 -2.83 135.00 126.82 3d29 n PRO 217 Ca -0.05 0.42 -0.09 0.00 -2.02 0.00 0.00 63.50 61.77 3d29 n PRO 217 Cb 0.62 -2.42 0.04 0.00 -0.02 0.00 0.00 33.50 31.72 3d29 n PRO 217 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3d29 n ASP 218 N -1.48 -3.00 -3.92 2.55 10.43 -1.26 -4.06 116.55 115.80 3d29 n ASP 218 Ca 0.15 -0.35 -0.25 0.00 2.57 0.00 0.00 54.79 56.91 3d29 n ASP 218 Cb 0.48 -2.96 -0.01 0.00 1.84 0.00 0.00 41.12 40.47 3d29 n ASP 218 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3d29 n SER 219 N -2.24 -0.64 -4.14 -2.24 7.64 -1.26 -4.94 113.62 105.81 3d29 n SER 219 Ca -0.11 -0.97 -0.38 0.00 1.01 0.00 0.00 58.87 58.42 3d29 n SER 219 Cb 0.58 -3.22 -0.09 0.00 -1.01 0.00 0.00 64.21 60.47 3d29 n SER 219 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3d29 s ASP 220 N -4.31 5.42 -0.06 6.43 3.68 -1.13 -4.88 116.67 121.82 3d29 s ASP 220 Ca 0.04 -2.47 0.03 0.00 2.13 0.00 0.00 52.55 52.29 3d29 s ASP 220 Cb -0.02 -1.89 0.00 0.00 -1.45 0.00 0.00 42.92 39.56 3d29 s ASP 220 CO 0.88 -0.48 -0.16 -0.63 0.13 0.00 0.00 175.17 174.91 3d29 s ILE 221 N 0.51 1.34 -0.17 4.11 1.01 -1.26 0.06 121.20 126.80 3d29 s ILE 221 Ca 0.13 -0.64 -0.21 0.00 0.00 0.00 0.00 60.65 59.93 3d29 s ILE 221 Cb -0.21 -1.18 0.05 0.00 0.01 0.00 0.00 42.46 41.13 3d29 s ILE 221 CO -0.04 0.40 0.56 0.54 0.00 0.00 0.00 174.94 176.40 3d29 s VAL 222 N 0.30 0.00 -0.20 2.92 0.11 -0.76 -5.02 120.40 117.76 3d29 s VAL 222 Ca -0.09 -0.04 -0.08 0.00 -2.93 0.00 0.00 61.98 58.84 3d29 s VAL 222 Cb -0.13 -0.80 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 3d29 s VAL 222 CO 0.03 -0.02 0.07 0.00 -3.33 0.00 0.00 175.10 171.85 3d29 s ALA 223 N -0.02 3.38 0.81 1.54 0.00 -1.26 -0.18 121.76 126.02 3d29 s ALA 223 Ca -0.03 -0.83 -0.11 0.00 0.00 0.00 0.00 51.96 51.00 3d29 s ALA 223 Cb -0.04 -1.99 0.08 0.00 0.00 0.00 0.00 23.12 21.18 3d29 s ALA 223 CO 0.02 0.02 1.12 -0.51 0.00 0.00 0.00 175.76 176.41 3d29 s LEU 224 N 0.66 3.01 0.37 0.00 1.02 -0.64 -4.99 118.68 118.12 3d29 s LEU 224 Ca 0.04 1.99 0.06 0.00 0.02 0.00 0.00 54.13 56.24 3d29 s LEU 224 Cb -0.13 -4.54 -0.00 0.00 0.02 0.00 0.00 46.19 41.53 3d29 s LEU 224 CO 0.02 -2.38 0.52 -0.94 0.02 0.00 0.00 176.35 173.59 3d29 s SER 225 N -3.01 5.89 0.32 2.29 1.04 -1.26 -4.66 113.70 114.30 3d29 s SER 225 Ca 0.64 -0.13 0.09 0.00 0.48 0.00 0.00 55.95 57.03 3d29 s SER 225 Cb -0.20 -1.20 0.90 0.00 0.10 0.00 0.00 66.02 65.61 3d29 s SER 225 CO 0.55 -0.54 1.67 0.28 0.98 0.00 0.00 173.24 176.18 3d29 h SER 226 N 0.75 0.33 0.76 7.02 0.02 -1.92 -1.59 113.55 118.92 3d29 h SER 226 Ca -0.45 0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 60.65 3d29 h SER 226 Cb 1.26 0.17 0.01 0.00 0.14 0.00 0.00 62.40 63.98 3d29 h SER 226 CO 0.53 -0.10 -0.36 -0.33 -1.14 0.00 0.00 176.83 175.42 3d29 h GLU 227 N 0.32 -0.98 -1.02 3.45 3.07 -1.95 1.19 114.58 118.66 3d29 h GLU 227 Ca 0.64 0.07 0.25 0.00 -0.50 0.00 0.00 59.36 59.82 3d29 h GLU 227 Cb 1.37 0.22 -0.10 0.00 -0.84 0.00 0.00 28.75 29.40 3d29 h GLU 227 CO -0.60 -0.63 0.64 0.93 -1.40 0.00 0.00 179.01 177.94 3d29 h GLU 228 N -1.19 0.48 0.06 2.33 5.08 -1.79 0.22 114.58 119.77 3d29 h GLU 228 Ca -0.10 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3d29 h GLU 228 Cb 0.80 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3d29 h GLU 228 CO 0.17 0.32 -0.03 0.82 -1.00 0.00 0.00 179.01 179.29 3d29 h ILE 229 N 0.50 1.15 -1.06 3.13 2.04 -1.12 -3.16 117.51 118.98 3d29 h ILE 229 Ca 0.61 -1.55 0.28 0.00 1.00 0.00 0.00 64.86 65.20 3d29 h ILE 229 Cb 1.34 2.04 -0.10 0.00 -0.74 0.00 0.00 36.82 39.36 3d29 h ILE 229 CO -0.36 0.34 0.67 -1.13 0.00 0.00 0.00 178.15 177.67 3d29 h ASN 230 N -0.88 0.47 -0.39 1.72 -1.24 0.27 0.31 115.58 115.84 3d29 h ASN 230 Ca -0.01 0.10 -0.01 0.00 0.71 0.00 0.00 56.30 57.10 3d29 h ASN 230 Cb 0.62 0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.69 3d29 h ASN 230 CO 0.01 0.05 0.21 1.56 -1.29 0.00 0.00 177.43 177.98 3d29 h GLN 231 N 0.39 0.55 -0.51 6.67 4.20 -0.65 -0.67 115.11 125.08 3d29 h GLN 231 Ca 0.63 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 59.28 3d29 h GLN 231 Cb 1.58 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 29.23 3d29 h GLN 231 CO -0.35 0.45 0.33 1.88 -0.67 0.00 0.00 178.83 180.46 3d29 h TYR 232 N 0.50 0.66 -0.57 2.96 -1.99 -0.38 -1.33 116.97 116.82 3d29 h TYR 232 Ca 0.14 0.01 0.06 0.00 2.00 0.00 0.00 58.73 60.93 3d29 h TYR 232 Cb 0.06 -0.22 -0.05 0.00 2.00 0.00 0.00 36.73 38.52 3d29 h TYR 232 CO -0.02 0.43 0.28 0.28 -0.00 0.00 0.00 178.16 179.13 3d29 h VAL 233 N 0.69 0.92 0.69 -2.88 2.07 -0.96 -2.39 116.25 114.40 3d29 h VAL 233 Ca 0.19 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 3d29 h VAL 233 Cb -0.05 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.06 3d29 h VAL 233 CO -0.04 0.10 -0.41 0.74 0.02 0.00 0.00 177.57 177.98 3d29 h THR 234 N 0.54 0.18 0.00 2.57 2.02 -0.55 -2.00 112.91 115.66 3d29 h THR 234 Ca 0.26 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.44 3d29 h THR 234 Cb 0.19 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 3d29 h THR 234 CO -0.19 0.00 0.07 -0.61 0.37 0.00 0.00 175.52 175.16 3d29 h GLN 235 N -1.03 0.00 0.04 6.66 4.15 -1.13 -2.32 115.11 121.49 3d29 h GLN 235 Ca -0.09 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.00 3d29 h GLN 235 Cb 0.82 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.47 3d29 h GLN 235 CO 0.10 0.00 -1.91 -0.89 -1.93 0.00 0.00 178.83 174.21 3d29 n ILE 236 N -2.58 1.65 0.34 2.39 5.41 -0.91 -3.50 119.36 122.16 3d29 n ILE 236 Ca -0.02 -0.74 0.15 0.00 1.00 0.00 0.00 62.75 63.14 3d29 n ILE 236 Cb 0.11 -1.26 0.59 0.00 -0.71 0.00 0.00 39.64 38.38 3d29 n ILE 236 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3d29 h GLU 237 N 0.03 0.00 0.15 0.38 5.08 -0.80 -2.13 114.58 117.29 3d29 h GLU 237 Ca -0.37 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.69 3d29 h GLU 237 Cb 2.04 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.29 3d29 h GLU 237 CO 0.07 0.00 -1.43 1.96 -1.00 0.00 0.00 179.01 178.61 3d29 h GLN 238 N 0.00 0.32 -0.90 2.33 4.20 -1.66 -2.81 115.11 116.59 3d29 h GLN 238 Ca 0.00 -0.55 0.15 0.00 0.06 0.00 0.00 58.65 58.31 3d29 h GLN 238 Cb 0.44 0.20 -0.09 0.00 0.30 0.00 0.00 27.48 28.33 3d29 h GLN 238 CO 0.00 1.23 0.50 0.93 -0.67 0.00 0.00 178.83 180.81 3d29 h GLU 239 N 0.09 0.69 0.50 1.46 4.39 -1.42 0.39 114.58 120.67 3d29 h GLU 239 Ca -0.21 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.42 3d29 h GLU 239 Cb 2.03 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.53 3d29 h GLU 239 CO 0.20 0.46 -0.24 0.87 -1.16 0.00 0.00 179.01 179.14 3d29 h LYS 240 N 0.71 -0.64 -0.73 2.33 1.57 -1.58 -3.29 116.57 114.94 3d29 h LYS 240 Ca 0.48 0.04 0.08 0.00 -1.87 0.00 0.00 60.65 59.38 3d29 h LYS 240 Cb 0.65 0.15 -0.05 0.00 0.08 0.00 0.00 32.23 33.06 3d29 h LYS 240 CO -0.34 -0.36 0.48 1.96 -0.57 0.00 0.00 179.45 180.62 3d29 h GLN 241 N -1.08 0.69 -2.13 3.15 4.20 -1.19 -2.66 115.11 116.09 3d29 h GLN 241 Ca -0.07 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 3d29 h GLN 241 Cb 0.58 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 3d29 h GLN 241 CO 0.11 0.46 0.00 0.39 -0.67 0.00 0.00 178.83 179.12 3d29 n GLU 242 N -4.49 0.73 0.00 1.46 1.02 0.13 -5.09 120.64 114.41 3d29 n GLU 242 Ca 0.11 -0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 3d29 n GLU 242 Cb 0.27 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 3d29 n GLU 242 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25