#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j1b s LYS 36 N 0.00 3.93 -0.04 4.33 2.20 -1.26 -5.00 119.74 123.90 1j1b s LYS 36 Ca 0.00 1.63 -0.11 0.00 -0.36 0.00 0.00 55.97 57.13 1j1b s LYS 36 Cb 0.00 -3.96 -0.05 0.00 -1.51 0.00 0.00 37.83 32.31 1j1b s LYS 36 CO 0.00 -1.12 0.31 0.08 -0.36 0.00 0.00 175.35 174.25 1j1b s VAL 37 N 4.65 5.22 -0.13 4.02 1.01 -1.26 -4.38 120.40 129.52 1j1b s VAL 37 Ca 0.66 0.56 0.03 0.00 0.00 0.00 0.00 61.98 63.23 1j1b s VAL 37 Cb -0.24 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.56 1j1b s VAL 37 CO 0.26 0.57 -0.23 -0.89 0.00 0.00 0.00 175.10 174.81 1j1b s THR 38 N -1.09 2.07 -0.11 3.92 2.01 0.26 -4.97 115.64 117.73 1j1b s THR 38 Ca 0.21 -0.99 0.03 0.00 0.31 0.00 0.00 61.69 61.25 1j1b s THR 38 Cb -0.15 -1.81 -0.01 0.00 0.01 0.00 0.00 72.50 70.55 1j1b s THR 38 CO 0.11 0.55 -0.20 -0.89 -0.69 0.00 0.00 174.62 173.50 1j1b s THR 39 N 0.65 2.44 0.22 -0.82 2.01 -1.26 -0.52 115.64 118.37 1j1b s THR 39 Ca -0.11 -0.88 0.02 0.00 0.31 0.00 0.00 61.69 61.03 1j1b s THR 39 Cb -0.16 -1.97 -0.05 0.00 0.01 0.00 0.00 72.50 70.33 1j1b s THR 39 CO 0.02 0.55 0.03 0.68 -0.69 0.00 0.00 174.62 175.20 1j1b s VAL 40 N 0.31 0.81 -0.40 3.82 -7.23 0.28 -4.96 120.40 113.02 1j1b s VAL 40 Ca -0.15 -2.01 -0.06 0.00 -1.81 0.00 0.00 61.98 57.96 1j1b s VAL 40 Cb -0.17 -2.37 0.09 0.00 0.56 0.00 0.00 36.38 34.49 1j1b s VAL 40 CO 0.07 -0.27 0.20 -0.69 -0.31 0.00 0.00 175.10 174.10 1j1b s VAL 41 N -3.58 3.72 0.13 1.32 1.01 -1.26 0.18 120.40 121.92 1j1b s VAL 41 Ca 0.30 -1.64 0.07 0.00 0.00 0.00 0.00 61.98 60.71 1j1b s VAL 41 Cb 0.06 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1j1b s VAL 41 CO 0.09 -0.52 -0.05 0.00 0.00 0.00 0.00 175.10 174.62 1j1b s ALA 42 N 1.30 3.10 -0.20 5.51 0.00 -0.11 -4.81 121.76 126.55 1j1b s ALA 42 Ca 0.04 -1.28 -0.16 0.00 0.00 0.00 0.00 51.96 50.56 1j1b s ALA 42 Cb -0.23 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 1j1b s ALA 42 CO -0.01 0.59 0.39 0.99 0.00 0.00 0.00 175.76 177.72 1j1b s THR 43 N -1.44 5.21 0.22 0.00 2.01 -0.34 -0.60 115.64 120.71 1j1b s THR 43 Ca 0.24 0.70 -0.31 0.00 0.31 0.00 0.00 61.69 62.64 1j1b s THR 43 Cb -0.10 -3.72 -0.15 0.00 0.01 0.00 0.00 72.50 68.53 1j1b s THR 43 CO 0.16 0.26 1.13 -2.65 -0.69 0.00 0.00 174.62 172.84 1j1b n PRO 44 N 4.38 1.33 -0.14 4.92 -0.02 -1.26 -2.02 135.00 142.19 1j1b n PRO 44 Ca -0.09 0.47 0.06 0.00 -2.02 0.00 0.00 63.50 61.93 1j1b n PRO 44 Cb 0.51 -1.94 0.37 0.00 -0.02 0.00 0.00 33.50 32.43 1j1b n PRO 44 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1j1b h GLY 45 N 2.96 0.85 -3.66 -1.23 0.00 -0.82 -3.43 103.07 97.74 1j1b h GLY 45 Ca -0.42 -0.28 -0.40 0.00 0.00 0.00 0.00 47.33 46.23 1j1b h GLY 45 CO 0.67 0.22 -0.76 1.20 0.00 0.00 0.00 176.54 177.88 1j1b s GLN 46 N -5.62 0.99 0.00 4.80 -0.21 -1.26 -4.56 119.66 113.80 1j1b s GLN 46 Ca -0.09 -1.22 0.00 0.00 0.02 0.00 0.00 55.36 54.07 1j1b s GLN 46 Cb 0.19 -0.85 0.00 0.00 1.00 0.00 0.00 33.01 33.35 1j1b s GLN 46 CO 0.76 0.16 0.00 0.41 -2.12 0.00 0.00 175.29 174.50 1j1b n GLY 47 N 0.56 0.42 3.85 3.09 0.00 -1.26 -4.98 105.19 106.87 1j1b n GLY 47 Ca -0.16 -1.78 -0.33 0.00 0.00 0.00 0.00 46.02 43.75 1j1b n GLY 47 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1j1b s PRO 48 N 0.00 3.94 -1.03 1.61 0.04 -1.26 -4.96 135.00 133.34 1j1b s PRO 48 Ca 0.00 0.50 -0.20 0.00 0.04 0.00 0.00 61.00 61.33 1j1b s PRO 48 Cb 0.00 -2.65 -0.09 0.00 0.04 0.00 0.00 34.50 31.80 1j1b s PRO 48 CO 0.00 0.30 1.97 -0.25 0.04 0.00 0.00 177.00 179.06 1j1b n ASP 49 N 0.05 3.10 -3.83 6.66 9.92 -1.26 -4.66 116.55 126.52 1j1b n ASP 49 Ca 0.00 -2.73 -0.28 0.00 -0.53 0.00 0.00 54.79 51.24 1j1b n ASP 49 Cb 0.52 -1.40 -0.12 0.00 -0.64 0.00 0.00 41.12 39.49 1j1b n ASP 49 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1j1b s ARG 50 N 4.90 2.10 0.53 -1.24 1.81 -1.26 -5.07 118.95 120.73 1j1b s ARG 50 Ca 0.57 -2.98 -0.21 0.00 -1.72 0.00 0.00 55.73 51.40 1j1b s ARG 50 Cb 0.10 -3.07 -0.07 0.00 -0.45 0.00 0.00 34.95 31.46 1j1b s ARG 50 CO 0.08 -1.26 0.96 -2.30 -0.68 0.00 0.00 175.30 172.10 1j1b n PRO 51 N 2.37 1.07 -4.16 3.54 -0.02 -1.26 -4.55 135.00 131.99 1j1b n PRO 51 Ca 0.18 0.40 -0.10 0.00 -2.02 0.00 0.00 63.50 61.96 1j1b n PRO 51 Cb 0.36 -2.11 -0.10 0.00 -0.02 0.00 0.00 33.50 31.63 1j1b n PRO 51 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1j1b s GLN 52 N -2.45 0.80 0.03 -0.52 -2.07 0.23 -4.90 119.66 110.79 1j1b s GLN 52 Ca 0.70 -1.31 -0.30 0.00 -1.82 0.00 0.00 55.36 52.63 1j1b s GLN 52 Cb -0.46 -0.16 -0.05 0.00 -1.09 0.00 0.00 33.01 31.25 1j1b s GLN 52 CO 0.51 -0.03 1.22 -1.21 -1.32 0.00 0.00 175.29 174.47 1j1b s GLU 53 N -3.78 4.40 -0.07 9.60 2.02 -1.26 -0.94 118.70 128.67 1j1b s GLU 53 Ca 0.11 1.77 0.02 0.00 0.02 0.00 0.00 54.97 56.89 1j1b s GLU 53 Cb 0.05 -3.42 0.01 0.00 0.10 0.00 0.00 34.13 30.88 1j1b s GLU 53 CO -0.05 -0.34 -0.11 0.08 0.02 0.00 0.00 175.26 174.86 1j1b s VAL 54 N 1.47 1.08 -0.03 2.63 1.01 0.13 -4.93 120.40 121.76 1j1b s VAL 54 Ca 0.59 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 62.19 1j1b s VAL 54 Cb -0.29 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 1j1b s VAL 54 CO 0.27 0.34 -0.20 -0.44 0.00 0.00 0.00 175.10 175.08 1j1b s SER 55 N 0.74 3.60 0.12 3.32 0.01 -1.26 -0.56 113.70 119.67 1j1b s SER 55 Ca -0.13 -0.34 -0.08 0.00 1.31 0.00 0.00 55.95 56.70 1j1b s SER 55 Cb -0.16 -0.61 -0.01 0.00 0.21 0.00 0.00 66.02 65.46 1j1b s SER 55 CO 0.03 0.32 0.23 -0.72 0.41 0.00 0.00 173.24 173.51 1j1b s TYR 56 N -0.71 0.30 0.19 2.43 1.13 0.32 -1.50 117.35 119.51 1j1b s TYR 56 Ca 0.11 -0.70 -0.00 0.00 -1.41 0.00 0.00 57.07 55.07 1j1b s TYR 56 Cb -0.10 -0.08 0.00 0.00 -1.10 0.00 0.00 41.96 40.68 1j1b s TYR 56 CO 0.00 -0.62 0.25 -2.37 -2.51 0.00 0.00 175.55 170.30 1j1b n THR 57 N -0.13 0.00 -3.64 -3.49 5.66 -0.18 -0.57 114.28 111.93 1j1b n THR 57 Ca -0.11 -1.02 -0.21 0.00 -3.05 0.00 0.00 64.05 59.66 1j1b n THR 57 Cb 0.63 0.60 0.05 0.00 -1.55 0.00 0.00 70.33 70.06 1j1b n THR 57 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1j1b n ASP 58 N -1.93 -1.96 -4.77 1.09 8.00 -1.26 -0.35 116.55 115.36 1j1b n ASP 58 Ca 0.01 -0.75 -0.39 0.00 0.71 0.00 0.00 54.79 54.38 1j1b n ASP 58 Cb 0.32 -4.39 -0.05 0.00 -0.02 0.00 0.00 41.12 36.98 1j1b n ASP 58 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1j1b s THR 59 N -3.54 3.81 -0.26 -3.53 2.01 -1.25 -4.24 115.64 108.64 1j1b s THR 59 Ca 0.09 1.64 -0.26 0.00 0.31 0.00 0.00 61.69 63.47 1j1b s THR 59 Cb -0.04 -3.97 0.10 0.00 0.01 0.00 0.00 72.50 68.60 1j1b s THR 59 CO 0.79 0.25 0.91 -1.59 -0.69 0.00 0.00 174.62 174.29 1j1b s LYS 60 N -1.78 0.65 0.13 4.92 -2.85 -0.75 -4.95 119.74 115.10 1j1b s LYS 60 Ca 0.48 0.70 -0.31 0.00 -1.00 0.00 0.00 55.97 55.84 1j1b s LYS 60 Cb -0.25 0.32 -0.09 0.00 -2.06 0.00 0.00 37.83 35.74 1j1b s LYS 60 CO 0.32 -0.09 1.46 0.08 0.10 0.00 0.00 175.35 177.22 1j1b s VAL 61 N 0.15 3.06 0.00 1.79 1.01 -1.26 -0.03 120.40 125.11 1j1b s VAL 61 Ca 0.01 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.74 1j1b s VAL 61 Cb -0.05 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1j1b s VAL 61 CO -0.03 0.05 0.51 2.30 0.00 0.00 0.00 175.10 177.94 1j1b n ILE 62 N 4.00 0.26 -3.80 2.22 -5.35 0.49 -4.87 119.36 112.30 1j1b n ILE 62 Ca 0.12 -0.42 -0.01 0.00 -0.27 0.00 0.00 62.75 62.18 1j1b n ILE 62 Cb 0.41 1.11 0.00 0.00 -1.74 0.00 0.00 39.64 39.42 1j1b n ILE 62 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1j1b s GLY 63 N -0.26 -0.16 0.22 3.28 0.00 -0.78 -4.96 107.32 104.66 1j1b s GLY 63 Ca 0.00 0.13 -0.23 0.00 0.00 0.00 0.00 44.72 44.62 1j1b s GLY 63 CO 0.00 1.81 0.81 0.21 0.00 0.00 0.00 173.10 175.93 1j1b s ASN 64 N -3.25 -0.24 0.12 1.64 2.47 -1.26 -2.57 114.94 111.84 1j1b s ASN 64 Ca 0.19 -0.48 -0.25 0.00 0.42 0.00 0.00 52.86 52.73 1j1b s ASN 64 Cb 0.00 0.62 0.08 0.00 -1.45 0.00 0.00 41.25 40.50 1j1b s ASN 64 CO 0.01 -1.14 1.08 -0.83 -3.72 0.00 0.00 177.10 172.50 1j1b s GLY 65 N -2.91 -0.12 0.52 1.21 0.00 -0.14 -4.94 107.32 100.94 1j1b s GLY 65 Ca 0.11 0.04 0.30 0.00 0.00 0.00 0.00 44.72 45.17 1j1b s GLY 65 CO 0.04 1.48 1.97 1.48 0.00 0.00 0.00 173.10 178.07 1j1b h SER 66 N 2.00 0.00 0.10 1.64 4.64 -2.03 -3.24 113.55 116.66 1j1b h SER 66 Ca -0.26 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.72 1j1b h SER 66 Cb 1.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 1j1b h SER 66 CO 0.31 0.09 -1.81 0.49 -0.87 0.00 0.00 176.83 175.04 1j1b n PHE 67 N -3.26 1.22 -2.85 4.77 0.99 -1.26 -5.08 117.46 111.98 1j1b n PHE 67 Ca -0.00 0.31 0.00 0.00 -0.00 0.00 0.00 57.45 57.76 1j1b n PHE 67 Cb 0.32 -1.15 0.00 0.00 -1.00 0.00 0.00 39.48 37.65 1j1b n PHE 67 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1j1b n GLY 68 N 1.85 1.94 3.45 1.37 0.00 -1.22 -4.28 105.19 108.29 1j1b n GLY 68 Ca -0.32 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 1j1b n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j1b s VAL 69 N -2.76 2.59 -0.12 1.61 1.01 -0.99 -0.97 120.40 120.76 1j1b s VAL 69 Ca 0.00 -1.70 0.03 0.00 0.00 0.00 0.00 61.98 60.31 1j1b s VAL 69 Cb 0.00 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.19 1j1b s VAL 69 CO 0.00 0.04 -0.22 -0.69 0.00 0.00 0.00 175.10 174.23 1j1b s VAL 70 N -1.26 1.99 0.33 2.92 1.01 -1.06 -0.30 120.40 124.02 1j1b s VAL 70 Ca 0.18 -0.95 0.09 0.00 0.00 0.00 0.00 61.98 61.30 1j1b s VAL 70 Cb -0.10 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 1j1b s VAL 70 CO 0.09 0.54 0.01 -0.31 0.00 0.00 0.00 175.10 175.43 1j1b s TYR 71 N 0.69 2.57 0.07 5.22 2.02 -0.25 -0.38 117.35 127.29 1j1b s TYR 71 Ca -0.11 -0.39 0.07 0.00 -0.37 0.00 0.00 57.07 56.27 1j1b s TYR 71 Cb -0.16 -1.43 -0.04 0.00 -0.40 0.00 0.00 41.96 39.93 1j1b s TYR 71 CO 0.01 0.50 -0.15 -1.14 -1.57 0.00 0.00 175.55 173.20 1j1b s GLN 72 N -3.71 2.07 0.18 -0.62 0.74 0.95 -0.12 119.66 119.14 1j1b s GLN 72 Ca 0.34 -1.01 -0.17 0.00 0.05 0.00 0.00 55.36 54.57 1j1b s GLN 72 Cb -0.02 -2.24 0.03 0.00 1.10 0.00 0.00 33.01 31.89 1j1b s GLN 72 CO 0.20 0.52 0.50 0.00 -0.55 0.00 0.00 175.29 175.95 1j1b s ALA 73 N -1.07 -0.91 -0.14 1.58 0.00 -0.47 -1.81 121.76 118.94 1j1b s ALA 73 Ca 0.18 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.94 1j1b s ALA 73 Cb -0.11 0.83 -0.00 0.00 0.00 0.00 0.00 23.12 23.84 1j1b s ALA 73 CO 0.09 -0.77 -0.18 0.21 0.00 0.00 0.00 175.76 175.11 1j1b s LYS 74 N -3.86 3.17 -0.00 0.00 2.20 0.52 -0.95 119.74 120.81 1j1b s LYS 74 Ca 0.08 -0.79 -0.30 0.00 -0.36 0.00 0.00 55.97 54.61 1j1b s LYS 74 Cb -0.00 -2.53 -0.05 0.00 -1.51 0.00 0.00 37.83 33.73 1j1b s LYS 74 CO -0.04 0.06 1.38 -0.51 -0.36 0.00 0.00 175.35 175.88 1j1b s LEU 75 N 0.67 4.31 0.19 5.43 1.43 0.01 -1.01 118.68 129.71 1j1b s LEU 75 Ca -0.09 2.09 -0.12 0.00 -1.03 0.00 0.00 54.13 54.98 1j1b s LEU 75 Cb -0.16 -3.56 0.15 0.00 0.03 0.00 0.00 46.19 42.65 1j1b s LEU 75 CO 0.02 -0.70 1.83 0.00 0.23 0.00 0.00 176.35 177.72 1j1b h ASP 77 N 0.73 0.11 0.00 0.00 5.19 -1.91 -3.34 116.42 117.20 1j1b h ASP 77 Ca 0.25 -0.23 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1j1b h ASP 77 Cb 0.03 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1j1b h ASP 77 CO -0.11 0.31 -1.54 -1.54 -3.12 0.00 0.00 179.24 173.24 1j1b n SER 78 N -4.91 0.54 0.00 6.45 3.41 -1.20 -4.96 113.62 112.95 1j1b n SER 78 Ca -0.06 -0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.15 1j1b n SER 78 Cb 0.14 1.56 0.00 0.00 -0.26 0.00 0.00 64.21 65.66 1j1b n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j1b n GLY 79 N 1.39 0.66 3.77 5.00 0.00 0.39 -4.98 105.19 111.41 1j1b n GLY 79 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1j1b n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j1b s GLU 80 N -0.32 4.11 0.06 1.61 2.02 -1.25 -4.60 118.70 120.33 1j1b s GLU 80 Ca 0.00 1.88 -0.20 0.00 0.02 0.00 0.00 54.97 56.68 1j1b s GLU 80 Cb 0.00 -2.74 -0.06 0.00 0.10 0.00 0.00 34.13 31.42 1j1b s GLU 80 CO 0.00 -0.29 0.58 -0.51 0.02 0.00 0.00 175.26 175.06 1j1b s LEU 81 N -2.37 4.51 0.17 1.80 1.43 -1.26 -0.81 118.68 122.14 1j1b s LEU 81 Ca 0.56 1.25 0.01 0.00 -1.03 0.00 0.00 54.13 54.92 1j1b s LEU 81 Cb -0.32 -2.91 -0.05 0.00 0.03 0.00 0.00 46.19 42.95 1j1b s LEU 81 CO 0.40 0.24 0.02 0.68 0.23 0.00 0.00 176.35 177.92 1j1b s VAL 82 N -0.91 0.56 -0.10 -1.59 -7.23 -0.12 -3.02 120.40 107.99 1j1b s VAL 82 Ca 0.30 -1.97 0.03 0.00 -1.81 0.00 0.00 61.98 58.52 1j1b s VAL 82 Cb -0.19 -2.16 -0.01 0.00 0.56 0.00 0.00 36.38 34.58 1j1b s VAL 82 CO 0.19 -0.43 -0.19 0.00 -0.31 0.00 0.00 175.10 174.36 1j1b s ALA 83 N -3.74 2.40 -0.29 1.32 0.00 -0.06 -1.37 121.76 120.02 1j1b s ALA 83 Ca 0.25 -0.95 -0.04 0.00 0.00 0.00 0.00 51.96 51.21 1j1b s ALA 83 Cb 0.06 -0.96 0.03 0.00 0.00 0.00 0.00 23.12 22.25 1j1b s ALA 83 CO 0.04 0.33 0.03 0.42 0.00 0.00 0.00 175.76 176.59 1j1b s ILE 84 N 0.12 3.46 -0.36 0.00 1.01 0.83 -0.15 121.20 126.11 1j1b s ILE 84 Ca -0.09 -0.99 -0.19 0.00 0.00 0.00 0.00 60.65 59.38 1j1b s ILE 84 Cb -0.16 -2.84 0.00 0.00 0.01 0.00 0.00 42.46 39.47 1j1b s ILE 84 CO 0.06 0.03 0.55 -0.75 0.00 0.00 0.00 174.94 174.83 1j1b s LYS 85 N 1.39 3.58 -0.23 2.79 2.20 0.53 -1.09 119.74 128.91 1j1b s LYS 85 Ca -0.00 -0.15 -0.10 0.00 -0.36 0.00 0.00 55.97 55.36 1j1b s LYS 85 Cb -0.18 -3.83 -0.05 0.00 -1.51 0.00 0.00 37.83 32.27 1j1b s LYS 85 CO -0.00 -0.71 0.13 0.21 -0.36 0.00 0.00 175.35 174.62 1j1b s LYS 86 N 2.50 4.04 0.01 4.03 2.20 0.59 -0.48 119.74 132.63 1j1b s LYS 86 Ca 0.20 -0.29 0.02 0.00 -0.36 0.00 0.00 55.97 55.54 1j1b s LYS 86 Cb -0.15 -3.46 -0.01 0.00 -1.51 0.00 0.00 37.83 32.70 1j1b s LYS 86 CO 0.14 0.10 -0.06 0.08 -0.36 0.00 0.00 175.35 175.26 1j1b s VAL 87 N 0.91 0.44 -0.01 4.02 1.01 -0.15 -2.34 120.40 124.27 1j1b s VAL 87 Ca 0.07 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 1j1b s VAL 87 Cb -0.13 -0.43 -0.06 0.00 0.00 0.00 0.00 36.38 35.76 1j1b s VAL 87 CO 0.03 -0.08 1.50 -0.22 0.00 0.00 0.00 175.10 176.34 1j1b s LEU 88 N -0.67 4.32 -0.15 3.92 2.96 -1.26 0.08 118.68 127.88 1j1b s LEU 88 Ca -0.03 2.19 -0.06 0.00 -0.22 0.00 0.00 54.13 56.02 1j1b s LEU 88 Cb -0.05 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 1j1b s LEU 88 CO 0.00 -0.81 0.04 -1.58 -1.32 0.00 0.00 176.35 172.68 1j1b s GLN 89 N 2.91 3.67 -0.33 1.98 2.00 -0.13 -4.84 119.66 124.92 1j1b s GLN 89 Ca 0.67 -0.37 -0.29 0.00 -2.00 0.00 0.00 55.36 53.38 1j1b s GLN 89 Cb -0.33 -3.07 0.00 0.00 0.80 0.00 0.00 33.01 30.41 1j1b s GLN 89 CO 0.27 0.40 1.34 0.34 -0.50 0.00 0.00 175.29 177.15 1j1b s ASP 90 N -0.02 6.57 0.27 6.67 3.68 -1.26 -4.55 116.67 128.02 1j1b s ASP 90 Ca 0.05 1.10 -0.00 0.00 2.13 0.00 0.00 52.55 55.83 1j1b s ASP 90 Cb -0.12 -2.54 0.55 0.00 -1.45 0.00 0.00 42.92 39.35 1j1b s ASP 90 CO 0.01 -1.19 1.78 0.07 0.13 0.00 0.00 175.17 175.97 1j1b h LYS 91 N 9.74 0.69 0.00 4.34 2.10 -1.97 -1.92 116.57 129.55 1j1b h LYS 91 Ca -0.27 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 1j1b h LYS 91 Cb 1.10 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 32.28 1j1b h LYS 91 CO 1.05 0.45 0.00 0.54 -2.00 0.00 0.00 179.45 179.49 1j1b n ARG 92 N -4.81 0.75 -3.86 0.07 5.12 -1.26 -4.83 116.66 107.84 1j1b n ARG 92 Ca 0.18 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 56.00 1j1b n ARG 92 Cb 0.43 -1.50 -0.08 0.00 -1.16 0.00 0.00 32.46 30.15 1j1b n ARG 92 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1j1b s PHE 93 N -2.03 0.10 0.15 -1.55 0.08 -0.72 -5.16 117.98 108.85 1j1b s PHE 93 Ca 0.36 -0.40 -0.12 0.00 0.12 0.00 0.00 56.93 56.89 1j1b s PHE 93 Cb 0.17 -0.05 -0.07 0.00 -0.57 0.00 0.00 43.02 42.50 1j1b s PHE 93 CO 0.29 -0.47 0.51 0.21 -0.10 0.00 0.00 175.22 175.66 1j1b s LYS 94 N -3.06 3.88 -0.18 0.44 2.47 -1.26 -4.53 119.74 117.50 1j1b s LYS 94 Ca -0.01 0.36 -0.29 0.00 -1.56 0.00 0.00 55.97 54.47 1j1b s LYS 94 Cb 0.01 -2.88 -0.03 0.00 -1.46 0.00 0.00 37.83 33.47 1j1b s LYS 94 CO -0.07 0.46 1.52 1.21 0.16 0.00 0.00 175.35 178.63 1j1b s ASN 95 N -1.88 6.59 0.21 1.43 2.47 -1.26 -4.92 114.94 117.58 1j1b s ASN 95 Ca 0.39 1.71 -0.08 0.00 0.42 0.00 0.00 52.86 55.30 1j1b s ASN 95 Cb -0.14 -2.53 0.14 0.00 -1.45 0.00 0.00 41.25 37.27 1j1b s ASN 95 CO 0.19 -1.07 1.73 -0.09 -3.72 0.00 0.00 177.10 174.15 1j1b h ARG 96 N 9.79 1.15 -0.69 0.43 2.43 -1.97 -1.73 114.38 123.79 1j1b h ARG 96 Ca -0.32 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.59 1j1b h ARG 96 Cb 1.14 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.50 1j1b h ARG 96 CO 0.99 0.99 0.44 1.49 -1.51 0.00 0.00 179.97 182.37 1j1b h GLU 97 N 1.09 0.93 -0.24 0.20 4.81 -1.91 -0.84 114.58 118.62 1j1b h GLU 97 Ca 0.23 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1j1b h GLU 97 Cb 0.34 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1j1b h GLU 97 CO -0.00 0.64 0.05 1.25 -0.73 0.00 0.00 179.01 180.22 1j1b h LEU 98 N 0.94 0.37 -0.92 1.64 5.85 -1.87 -0.84 115.31 120.47 1j1b h LEU 98 Ca 0.25 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1j1b h LEU 98 Cb -0.07 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 1j1b h LEU 98 CO -0.05 0.51 0.60 1.56 -0.34 0.00 0.00 178.44 180.72 1j1b h GLN 99 N 0.20 1.13 -0.11 1.25 1.08 -0.99 -0.64 115.11 117.03 1j1b h GLN 99 Ca 0.07 -0.07 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 1j1b h GLN 99 Cb 0.29 -0.26 -0.00 0.00 -0.05 0.00 0.00 27.48 27.46 1j1b h GLN 99 CO 0.00 0.75 -0.13 0.82 -0.95 0.00 0.00 178.83 179.32 1j1b h ILE 100 N 1.17 1.37 -0.96 2.54 2.04 -1.03 -3.24 117.51 119.39 1j1b h ILE 100 Ca 0.37 -1.33 0.04 0.00 1.00 0.00 0.00 64.86 64.94 1j1b h ILE 100 Cb -0.00 1.99 -0.06 0.00 -0.74 0.00 0.00 36.82 38.00 1j1b h ILE 100 CO -0.12 0.38 0.62 0.24 0.00 0.00 0.00 178.15 179.28 1j1b h MET 101 N -0.12 1.16 -0.15 2.37 2.86 -0.85 -2.44 114.93 117.76 1j1b h MET 101 Ca 0.01 -0.07 0.04 0.00 -2.06 0.00 0.00 59.70 57.63 1j1b h MET 101 Cb 0.67 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1j1b h MET 101 CO 0.03 0.77 0.14 0.00 1.06 0.00 0.00 176.91 178.92 1j1b h ARG 102 N 1.20 0.00 -0.02 1.72 3.08 -1.15 -2.29 114.38 116.92 1j1b h ARG 102 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.44 1j1b h ARG 102 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1j1b h ARG 102 CO -0.13 0.00 -0.26 0.36 -1.07 0.00 0.00 179.97 178.87 1j1b n LYS 103 N -4.01 1.57 -3.46 0.04 2.85 -0.92 -4.64 118.16 109.59 1j1b n LYS 103 Ca 0.01 -1.25 -0.38 0.00 -1.05 0.00 0.00 58.31 55.64 1j1b n LYS 103 Cb 0.26 -1.47 -0.06 0.00 -0.65 0.00 0.00 35.03 33.11 1j1b n LYS 103 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1j1b s LEU 104 N -2.29 4.41 -0.36 -5.58 1.43 -0.86 -5.03 118.68 110.39 1j1b s LEU 104 Ca 0.24 0.90 0.03 0.00 -1.03 0.00 0.00 54.13 54.27 1j1b s LEU 104 Cb 0.19 -2.60 0.16 0.00 0.03 0.00 0.00 46.19 43.97 1j1b s LEU 104 CO 0.46 0.23 0.41 -0.62 0.23 0.00 0.00 176.35 177.06 1j1b s ASP 105 N -0.55 0.75 -0.06 2.29 2.15 -1.26 -4.87 116.67 115.12 1j1b s ASP 105 Ca 0.24 -1.31 -0.09 0.00 0.43 0.00 0.00 52.55 51.81 1j1b s ASP 105 Cb -0.16 0.80 0.02 0.00 -0.30 0.00 0.00 42.92 43.28 1j1b s ASP 105 CO 0.12 -0.26 0.23 -2.28 -0.17 0.00 0.00 175.17 172.81 1j1b s HIS 106 N 1.65 -0.19 -0.05 -5.34 2.46 -1.26 -5.05 115.29 107.51 1j1b s HIS 106 Ca 0.16 0.43 0.28 0.00 0.47 0.00 0.00 55.06 56.40 1j1b s HIS 106 Cb -0.13 0.06 1.42 0.00 -0.13 0.00 0.00 32.58 33.80 1j1b s HIS 106 CO -0.08 -0.20 1.86 0.00 -2.47 0.00 0.00 174.74 173.85 1j1b n ASN 108 N -2.52 3.54 -3.88 0.00 3.02 -1.26 -4.82 115.26 109.33 1j1b n ASN 108 Ca -0.01 -3.33 -0.19 0.00 -0.03 0.00 0.00 54.58 51.02 1j1b n ASN 108 Cb 0.12 -0.62 -0.16 0.00 -0.61 0.00 0.00 39.78 38.51 1j1b n ASN 108 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1j1b s ILE 109 N -3.02 0.46 0.19 2.41 1.01 -0.92 -0.73 121.20 120.60 1j1b s ILE 109 Ca 0.46 -0.08 -0.33 0.00 0.00 0.00 0.00 60.65 60.70 1j1b s ILE 109 Cb 0.38 -0.50 -0.13 0.00 0.01 0.00 0.00 42.46 42.22 1j1b s ILE 109 CO 0.06 0.21 1.54 0.55 0.00 0.00 0.00 174.94 177.30 1j1b n VAL 110 N 4.06 0.32 -2.81 2.92 3.14 -0.40 -4.64 118.33 120.91 1j1b n VAL 110 Ca -0.25 -0.08 -0.41 0.00 -2.96 0.00 0.00 64.34 60.64 1j1b n VAL 110 Cb 0.51 -1.57 -0.05 0.00 -1.06 0.00 0.00 33.84 31.67 1j1b n VAL 110 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 1j1b s ARG 111 N 0.48 4.63 -0.47 1.45 3.52 -1.26 -4.94 118.95 122.37 1j1b s ARG 111 Ca 0.75 1.33 -0.23 0.00 -0.13 0.00 0.00 55.73 57.44 1j1b s ARG 111 Cb -0.65 -3.37 0.03 0.00 -1.56 0.00 0.00 34.95 29.40 1j1b s ARG 111 CO 0.41 0.24 0.82 -1.17 -0.81 0.00 0.00 175.30 174.80 1j1b s LEU 112 N -0.03 4.22 -0.11 -0.88 2.96 -1.26 -2.27 118.68 121.30 1j1b s LEU 112 Ca 0.44 -0.14 -0.28 0.00 -0.22 0.00 0.00 54.13 53.93 1j1b s LEU 112 Cb -0.22 -2.97 -0.25 0.00 0.50 0.00 0.00 46.19 43.25 1j1b s LEU 112 CO 0.28 -0.98 0.88 0.03 -1.32 0.00 0.00 176.35 175.24 1j1b h ARG 113 N 9.05 0.00 -3.73 1.98 3.08 -0.37 -3.34 114.38 121.04 1j1b h ARG 113 Ca -0.25 -0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.67 1j1b h ARG 113 Cb 1.08 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.06 1j1b h ARG 113 CO 0.99 0.89 -0.09 0.71 -1.07 0.00 0.00 179.97 181.39 1j1b s TYR 114 N -2.67 0.58 -0.04 3.04 2.02 -1.04 -0.37 117.35 118.87 1j1b s TYR 114 Ca -0.18 -0.94 -0.17 0.00 -0.37 0.00 0.00 57.07 55.41 1j1b s TYR 114 Cb -0.02 0.18 0.03 0.00 -0.40 0.00 0.00 41.96 41.75 1j1b s TYR 114 CO 0.69 -1.12 0.37 -0.59 -1.57 0.00 0.00 175.55 173.33 1j1b s PHE 115 N -3.45 -0.28 0.24 2.71 -0.71 -0.86 -0.57 117.98 115.06 1j1b s PHE 115 Ca 0.24 0.51 -0.17 0.00 -1.04 0.00 0.00 56.93 56.47 1j1b s PHE 115 Cb -0.01 0.15 0.02 0.00 -1.21 0.00 0.00 43.02 41.96 1j1b s PHE 115 CO 0.13 -0.39 0.57 -0.59 -1.34 0.00 0.00 175.22 173.60 1j1b s PHE 116 N -1.06 0.01 0.02 3.49 -0.71 -0.67 -1.19 117.98 117.86 1j1b s PHE 116 Ca -0.11 -0.39 0.05 0.00 -1.04 0.00 0.00 56.93 55.44 1j1b s PHE 116 Cb -0.04 0.43 -0.03 0.00 -1.21 0.00 0.00 43.02 42.16 1j1b s PHE 116 CO 0.04 -1.04 -0.13 0.71 -1.34 0.00 0.00 175.22 173.46 1j1b s TYR 117 N -3.93 2.70 0.03 3.49 2.02 -1.26 -0.00 117.35 120.39 1j1b s TYR 117 Ca 0.14 -0.16 0.00 0.00 -0.37 0.00 0.00 57.07 56.68 1j1b s TYR 117 Cb -0.02 -1.53 -0.02 0.00 -0.40 0.00 0.00 41.96 39.98 1j1b s TYR 117 CO 0.04 0.29 -0.04 -1.54 -1.57 0.00 0.00 175.55 172.73 1j1b s SER 118 N -1.38 0.40 0.01 2.29 1.04 -0.69 -4.98 113.70 110.39 1j1b s SER 118 Ca 0.15 -0.59 -0.13 0.00 0.48 0.00 0.00 55.95 55.87 1j1b s SER 118 Cb -0.11 0.10 -0.06 0.00 0.10 0.00 0.00 66.02 66.06 1j1b s SER 118 CO 0.06 -0.33 0.38 -0.44 0.98 0.00 0.00 173.24 173.89 1j1b s SER 119 N -1.71 6.73 -0.55 7.02 0.01 -1.26 -0.32 113.70 123.62 1j1b s SER 119 Ca -0.11 0.88 -0.19 0.00 1.31 0.00 0.00 55.95 57.84 1j1b s SER 119 Cb -0.07 -2.22 0.09 0.00 0.21 0.00 0.00 66.02 64.03 1j1b s SER 119 CO -0.02 0.30 0.65 -0.83 0.41 0.00 0.00 173.24 173.74 1j1b s GLY 120 N -1.24 1.80 0.60 3.44 0.00 0.12 -4.92 107.32 107.12 1j1b s GLY 120 Ca 0.25 -2.05 0.29 0.00 0.00 0.00 0.00 44.72 43.22 1j1b s GLY 120 CO 0.14 1.49 1.52 0.83 0.00 0.00 0.00 173.10 177.08 1j1b h GLU 121 N 9.07 0.00 0.00 2.90 3.07 -1.96 0.40 114.58 128.06 1j1b h GLU 121 Ca -0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.57 1j1b h GLU 121 Cb 1.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.00 1j1b h GLU 121 CO 1.03 0.00 0.31 -0.22 -1.40 0.00 0.00 179.01 178.74 1j1b h LYS 122 N 0.00 0.00 0.00 2.33 3.64 -1.93 -3.45 116.57 117.16 1j1b h LYS 122 Ca 0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 1j1b h LYS 122 Cb 2.41 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.23 1j1b h LYS 122 CO -0.00 0.00 0.00 1.17 -2.27 0.00 0.00 179.45 178.35 1j1b n LYS 123 N -2.59 0.00 -0.96 1.90 4.81 0.13 -4.95 118.16 116.50 1j1b n LYS 123 Ca -0.02 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.23 1j1b n LYS 123 Cb 0.35 0.00 0.12 0.00 0.02 0.00 0.00 35.03 35.52 1j1b n LYS 123 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1j1b n ASP 124 N 0.00 4.16 -4.73 3.14 5.75 -1.26 -4.55 116.55 119.05 1j1b n ASP 124 Ca 0.00 -3.25 -0.41 0.00 -0.01 0.00 0.00 54.79 51.12 1j1b n ASP 124 Cb 0.00 -0.80 -0.04 0.00 -1.03 0.00 0.00 41.12 39.25 1j1b n ASP 124 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 1j1b s GLU 125 N -2.55 4.62 -0.09 0.11 -1.05 -1.25 -4.95 118.70 113.54 1j1b s GLU 125 Ca 0.44 1.62 0.01 0.00 -0.15 0.00 0.00 54.97 56.88 1j1b s GLU 125 Cb 0.36 -3.32 -0.02 0.00 -0.44 0.00 0.00 34.13 30.71 1j1b s GLU 125 CO 0.07 0.10 -0.10 0.08 0.95 0.00 0.00 175.26 176.36 1j1b s VAL 126 N -0.02 3.39 -0.06 1.83 1.01 -1.26 0.14 120.40 125.42 1j1b s VAL 126 Ca 0.49 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.92 1j1b s VAL 126 Cb -0.27 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 1j1b s VAL 126 CO 0.32 0.56 -0.10 -0.31 0.00 0.00 0.00 175.10 175.58 1j1b s TYR 127 N -0.30 2.85 -0.15 5.22 1.51 0.56 -0.96 117.35 126.09 1j1b s TYR 127 Ca 0.03 -0.05 -0.14 0.00 -1.01 0.00 0.00 57.07 55.90 1j1b s TYR 127 Cb -0.13 -1.69 -0.05 0.00 -0.11 0.00 0.00 41.96 39.99 1j1b s TYR 127 CO 0.03 0.27 0.29 -1.17 -1.11 0.00 0.00 175.55 173.86 1j1b s LEU 128 N -0.76 4.26 -0.25 -1.29 2.96 0.11 -1.70 118.68 122.01 1j1b s LEU 128 Ca 0.12 0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 54.54 1j1b s LEU 128 Cb -0.11 -2.38 0.03 0.00 0.50 0.00 0.00 46.19 44.24 1j1b s LEU 128 CO 0.01 0.12 -0.07 0.20 -1.32 0.00 0.00 176.35 175.29 1j1b s ASN 129 N 0.35 4.30 -0.34 3.68 0.01 0.99 -0.98 114.94 122.95 1j1b s ASN 129 Ca 0.17 -0.93 -0.16 0.00 -0.71 0.00 0.00 52.86 51.23 1j1b s ASN 129 Cb -0.13 -1.65 -0.01 0.00 0.41 0.00 0.00 41.25 39.87 1j1b s ASN 129 CO 0.04 -0.13 0.41 -0.76 -1.51 0.00 0.00 177.10 175.15 1j1b s LEU 130 N 1.30 4.36 -0.42 0.60 1.43 0.37 -1.67 118.68 124.65 1j1b s LEU 130 Ca -0.01 -0.10 -0.18 0.00 -1.03 0.00 0.00 54.13 52.80 1j1b s LEU 130 Cb -0.17 -2.43 0.02 0.00 0.03 0.00 0.00 46.19 43.64 1j1b s LEU 130 CO -0.05 -0.37 0.51 -0.69 0.23 0.00 0.00 176.35 175.99 1j1b s VAL 131 N 2.14 5.00 0.34 -1.59 1.01 0.27 -0.35 120.40 127.22 1j1b s VAL 131 Ca 0.14 -0.16 0.09 0.00 0.00 0.00 0.00 61.98 62.05 1j1b s VAL 131 Cb -0.16 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 1j1b s VAL 131 CO 0.12 -0.47 0.04 -0.76 0.00 0.00 0.00 175.10 174.02 1j1b s LEU 132 N 2.38 3.03 0.35 3.92 1.43 0.79 0.42 118.68 131.00 1j1b s LEU 132 Ca 0.16 -0.96 -0.28 0.00 -1.03 0.00 0.00 54.13 52.02 1j1b s LEU 132 Cb -0.16 -1.42 -0.10 0.00 0.03 0.00 0.00 46.19 44.54 1j1b s LEU 132 CO 0.15 -0.25 1.35 -1.81 0.23 0.00 0.00 176.35 176.02 1j1b s ASP 133 N -3.74 6.61 -0.05 2.29 -0.00 -0.96 -0.88 116.67 119.93 1j1b s ASP 133 Ca 0.35 2.77 -0.22 0.00 -0.00 0.00 0.00 52.55 55.46 1j1b s ASP 133 Cb -0.00 -2.65 -0.04 0.00 -0.00 0.00 0.00 42.92 40.22 1j1b s ASP 133 CO 0.20 -0.66 0.64 -0.47 -0.00 0.00 0.00 175.17 174.88 1j1b s TYR 134 N -1.15 3.61 -0.12 4.23 6.14 -1.17 -4.41 117.35 124.49 1j1b s TYR 134 Ca 0.51 1.20 0.02 0.00 0.64 0.00 0.00 57.07 59.44 1j1b s TYR 134 Cb -0.41 -2.71 0.01 0.00 0.42 0.00 0.00 41.96 39.27 1j1b s TYR 134 CO 0.55 0.20 -0.18 0.08 0.64 0.00 0.00 175.55 176.84 1j1b s VAL 135 N 0.40 1.70 0.41 3.14 1.01 -1.26 -4.93 120.40 120.86 1j1b s VAL 135 Ca 0.34 -0.77 0.09 0.00 0.00 0.00 0.00 61.98 61.63 1j1b s VAL 135 Cb -0.18 -1.53 0.22 0.00 0.00 0.00 0.00 36.38 34.89 1j1b s VAL 135 CO 0.17 0.48 2.00 1.55 0.00 0.00 0.00 175.10 179.30 1j1b h PRO 136 N 7.32 0.37 0.00 2.72 0.13 -1.98 -3.46 132.00 137.10 1j1b h PRO 136 Ca -0.31 -0.05 -0.50 0.00 -0.87 0.00 0.00 66.00 64.28 1j1b h PRO 136 Cb 1.18 -0.07 -0.11 0.00 0.13 0.00 0.00 31.00 32.13 1j1b h PRO 136 CO 0.51 0.35 -0.42 0.39 -0.23 0.00 0.00 178.00 178.60 1j1b n GLU 137 N -4.39 0.63 -4.06 0.86 -0.58 -0.16 -4.99 120.64 107.95 1j1b n GLU 137 Ca 0.01 -3.09 -0.08 0.00 -0.42 0.00 0.00 57.16 53.58 1j1b n GLU 137 Cb 0.16 1.64 -0.10 0.00 -0.57 0.00 0.00 31.44 32.56 1j1b n GLU 137 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1j1b s THR 138 N -2.90 0.21 0.45 2.62 -4.23 -1.26 -0.14 115.64 110.39 1j1b s THR 138 Ca 0.18 -1.52 0.14 0.00 -1.18 0.00 0.00 61.69 59.30 1j1b s THR 138 Cb 0.01 -1.12 0.20 0.00 1.34 0.00 0.00 72.50 72.93 1j1b s THR 138 CO 0.12 -0.83 2.02 0.58 -0.54 0.00 0.00 174.62 175.97 1j1b h VAL 139 N 3.63 1.11 0.38 2.29 2.07 -0.82 -2.24 116.25 122.66 1j1b h VAL 139 Ca -0.33 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 1j1b h VAL 139 Cb 1.16 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1j1b h VAL 139 CO 0.58 0.14 -0.18 0.22 0.02 0.00 0.00 177.57 178.35 1j1b h TYR 140 N 0.06 -0.47 -0.34 1.57 5.03 -1.75 -0.38 116.97 120.68 1j1b h TYR 140 Ca 0.01 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.29 1j1b h TYR 140 Cb 0.24 0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.66 1j1b h TYR 140 CO 0.00 -0.29 0.12 0.00 -1.32 0.00 0.00 178.16 176.67 1j1b h ARG 141 N -0.51 0.52 -0.47 1.82 3.08 -1.81 -1.16 114.38 115.86 1j1b h ARG 141 Ca -0.05 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 1j1b h ARG 141 Cb 0.39 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1j1b h ARG 141 CO 0.08 0.53 0.27 0.28 -1.07 0.00 0.00 179.97 180.07 1j1b h VAL 142 N 0.40 1.16 -0.32 2.04 2.07 -1.39 -1.63 116.25 118.57 1j1b h VAL 142 Ca 0.11 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 1j1b h VAL 142 Cb 0.22 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1j1b h VAL 142 CO -0.01 0.16 -0.01 0.00 0.02 0.00 0.00 177.57 177.74 1j1b h ALA 143 N 1.12 1.38 -0.25 1.67 0.00 -0.94 -2.38 119.26 119.86 1j1b h ALA 143 Ca 0.17 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1j1b h ALA 143 Cb 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1j1b h ALA 143 CO -0.03 0.43 -0.24 -0.09 0.00 0.00 0.00 179.25 179.32 1j1b h ARG 144 N 0.48 0.47 0.02 0.00 2.43 -0.64 -0.39 114.38 116.76 1j1b h ARG 144 Ca 0.10 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1j1b h ARG 144 Cb 0.33 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1j1b h ARG 144 CO 0.01 0.68 -0.01 1.25 -1.51 0.00 0.00 179.97 180.39 1j1b h HIS 145 N 0.42 -0.03 -0.35 2.20 2.76 -0.79 -0.03 115.15 119.33 1j1b h HIS 145 Ca 0.06 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.16 1j1b h HIS 145 Cb 0.64 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.59 1j1b h HIS 145 CO 0.02 0.11 -0.10 1.88 -1.30 0.00 0.00 177.93 178.54 1j1b h TYR 146 N -0.16 0.65 0.10 5.26 -1.99 -1.37 -0.75 116.97 118.72 1j1b h TYR 146 Ca -0.00 -0.10 -0.00 0.00 2.00 0.00 0.00 58.73 60.62 1j1b h TYR 146 Cb 0.15 -0.17 0.00 0.00 2.00 0.00 0.00 36.73 38.70 1j1b h TYR 146 CO -0.03 0.69 -0.05 1.03 -0.00 0.00 0.00 178.16 179.80 1j1b h SER 147 N 0.56 -0.11 -0.68 3.88 0.87 -0.80 0.44 113.55 117.71 1j1b h SER 147 Ca 0.10 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1j1b h SER 147 Cb 0.51 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.46 1j1b h SER 147 CO 0.03 -0.01 0.34 0.03 -0.53 0.00 0.00 176.83 176.69 1j1b h ARG 148 N -0.20 0.97 -0.03 2.24 3.08 -0.80 -1.24 114.38 118.40 1j1b h ARG 148 Ca -0.01 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1j1b h ARG 148 Cb 0.17 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1j1b h ARG 148 CO 0.02 0.76 0.00 0.00 -1.07 0.00 0.00 179.97 179.68 1j1b n ALA 149 N -2.36 2.31 -4.12 0.04 0.00 -0.30 -4.82 120.51 111.26 1j1b n ALA 149 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.16 1j1b n ALA 149 Cb 0.12 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.55 1j1b n ALA 149 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1j1b n LYS 150 N -0.48 -3.57 -4.41 0.00 5.02 -0.47 -4.94 118.16 109.31 1j1b n LYS 150 Ca 0.00 0.42 -0.24 0.00 -2.02 0.00 0.00 58.31 56.46 1j1b n LYS 150 Cb 0.01 -5.04 -0.11 0.00 -0.02 0.00 0.00 35.03 29.87 1j1b n LYS 150 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1j1b s GLN 151 N -6.80 1.48 -0.09 1.97 -1.52 0.15 -5.03 119.66 109.82 1j1b s GLN 151 Ca 0.57 -1.57 -0.10 0.00 -1.95 0.00 0.00 55.36 52.31 1j1b s GLN 151 Cb -0.30 -1.63 -0.05 0.00 -0.22 0.00 0.00 33.01 30.81 1j1b s GLN 151 CO 0.90 0.33 0.23 0.99 -0.25 0.00 0.00 175.29 177.50 1j1b s THR 152 N -2.11 5.34 0.01 -0.19 2.01 -1.26 -4.03 115.64 115.41 1j1b s THR 152 Ca 0.22 0.43 -0.30 0.00 0.31 0.00 0.00 61.69 62.34 1j1b s THR 152 Cb -0.06 -3.52 -0.06 0.00 0.01 0.00 0.00 72.50 68.88 1j1b s THR 152 CO 0.10 0.58 1.46 -0.22 -0.69 0.00 0.00 174.62 175.85 1j1b s LEU 153 N -0.85 4.32 0.19 4.42 2.96 -1.26 -4.91 118.68 123.55 1j1b s LEU 153 Ca 0.17 2.18 -0.32 0.00 -0.22 0.00 0.00 54.13 55.94 1j1b s LEU 153 Cb -0.13 -3.56 -0.15 0.00 0.50 0.00 0.00 46.19 42.84 1j1b s LEU 153 CO 0.07 -0.77 1.18 -2.65 -1.32 0.00 0.00 176.35 172.86 1j1b n PRO 154 N 5.57 1.28 0.14 0.98 -0.02 -1.26 -4.77 135.00 136.91 1j1b n PRO 154 Ca 0.14 0.45 0.17 0.00 -2.02 0.00 0.00 63.50 62.25 1j1b n PRO 154 Cb 0.43 -1.96 0.76 0.00 -0.02 0.00 0.00 33.50 32.71 1j1b n PRO 154 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1j1b h VAL 155 N 2.65 0.59 -0.73 -1.45 2.07 -1.98 -0.82 116.25 116.58 1j1b h VAL 155 Ca -0.43 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1j1b h VAL 155 Cb 1.34 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 1j1b h VAL 155 CO 0.70 0.00 0.43 -0.29 0.02 0.00 0.00 177.57 178.43 1j1b h ILE 156 N 0.00 1.21 -0.11 4.57 6.09 -2.00 0.28 117.51 127.55 1j1b h ILE 156 Ca 0.13 -0.47 -0.21 0.00 -1.37 0.00 0.00 64.86 62.94 1j1b h ILE 156 Cb 0.65 0.20 0.00 0.00 0.47 0.00 0.00 36.82 38.14 1j1b h ILE 156 CO -0.00 0.22 -0.78 1.88 -3.07 0.00 0.00 178.15 176.40 1j1b h TYR 157 N 1.00 0.86 -0.87 2.19 -1.99 -1.50 -1.37 116.97 115.29 1j1b h TYR 157 Ca 0.26 -0.39 -0.00 0.00 2.00 0.00 0.00 58.73 60.60 1j1b h TYR 157 Cb -0.02 -0.13 -0.04 0.00 2.00 0.00 0.00 36.73 38.53 1j1b h TYR 157 CO 0.00 1.19 0.52 0.28 -0.00 0.00 0.00 178.16 180.16 1j1b h VAL 158 N 0.43 1.24 0.04 -2.88 2.07 -1.15 0.10 116.25 116.10 1j1b h VAL 158 Ca -0.05 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 1j1b h VAL 158 Cb 1.39 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1j1b h VAL 158 CO 0.15 0.25 -0.02 0.11 0.02 0.00 0.00 177.57 178.08 1j1b h LYS 159 N 1.19 -0.06 -0.24 1.57 1.57 -0.83 -2.08 116.57 117.71 1j1b h LYS 159 Ca 0.31 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.11 1j1b h LYS 159 Cb -0.05 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1j1b h LYS 159 CO -0.06 0.27 0.12 -0.07 -0.57 0.00 0.00 179.45 179.15 1j1b h LEU 160 N -0.39 0.19 -0.14 2.94 3.38 -0.90 -1.12 115.31 119.27 1j1b h LEU 160 Ca -0.01 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1j1b h LEU 160 Cb 0.35 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1j1b h LEU 160 CO 0.01 0.15 -0.02 1.88 0.09 0.00 0.00 178.44 180.55 1j1b h TYR 161 N 0.26 0.29 -0.60 1.13 0.05 -0.86 -2.54 116.97 114.70 1j1b h TYR 161 Ca 0.09 -0.06 -0.08 0.00 0.05 0.00 0.00 58.73 58.74 1j1b h TYR 161 Cb 0.01 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.66 1j1b h TYR 161 CO -0.09 0.52 0.07 0.52 -1.05 0.00 0.00 178.16 178.13 1j1b h MET 162 N -0.03 1.00 -0.37 4.88 2.86 -1.36 -1.19 114.93 120.71 1j1b h MET 162 Ca 0.04 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.40 1j1b h MET 162 Cb 0.42 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 1j1b h MET 162 CO 0.01 0.94 0.21 -0.92 1.06 0.00 0.00 176.91 178.21 1j1b h TYR 163 N 0.93 0.50 -0.38 -0.22 5.03 -1.20 -0.64 116.97 121.00 1j1b h TYR 163 Ca 0.18 -0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.39 1j1b h TYR 163 Cb 0.45 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.55 1j1b h TYR 163 CO 0.03 0.38 -0.14 1.96 -1.32 0.00 0.00 178.16 179.07 1j1b h GLN 164 N 0.48 0.68 -0.37 1.82 4.20 -1.31 -1.42 115.11 119.19 1j1b h GLN 164 Ca 0.13 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 1j1b h GLN 164 Cb 0.04 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1j1b h GLN 164 CO -0.02 0.80 0.14 1.25 -0.67 0.00 0.00 178.83 180.32 1j1b h LEU 165 N 0.62 0.51 -1.27 1.46 5.85 -0.83 -1.68 115.31 119.97 1j1b h LEU 165 Ca 0.10 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 1j1b h LEU 165 Cb 0.59 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1j1b h LEU 165 CO 0.04 0.55 0.04 -0.26 -0.34 0.00 0.00 178.44 178.47 1j1b h PHE 166 N 0.44 0.55 -0.42 1.25 0.05 -0.84 -1.43 116.94 116.55 1j1b h PHE 166 Ca 0.12 -0.05 -0.04 0.00 3.82 0.00 0.00 57.97 61.82 1j1b h PHE 166 Cb 0.20 -0.16 -0.02 0.00 2.00 0.00 0.00 35.95 37.98 1j1b h PHE 166 CO 0.00 0.51 0.09 0.00 -0.18 0.00 0.00 178.31 178.74 1j1b h ARG 167 N 0.52 0.68 -0.61 1.51 3.08 -0.92 0.88 114.38 119.51 1j1b h ARG 167 Ca 0.12 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1j1b h ARG 167 Cb 0.28 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1j1b h ARG 167 CO 0.00 0.70 0.24 0.66 -1.07 0.00 0.00 179.97 180.50 1j1b h SER 168 N 0.54 0.81 -0.28 7.04 4.64 -0.75 -1.33 113.55 124.21 1j1b h SER 168 Ca 0.13 -0.11 -0.16 0.00 -0.47 0.00 0.00 61.79 61.18 1j1b h SER 168 Cb 0.33 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1j1b h SER 168 CO 0.00 0.73 -0.45 -0.07 -0.87 0.00 0.00 176.83 176.17 1j1b h LEU 169 N 0.87 0.89 -0.61 5.97 3.38 -0.97 -1.59 115.31 123.25 1j1b h LEU 169 Ca 0.21 -0.52 0.05 0.00 0.09 0.00 0.00 57.88 57.71 1j1b h LEU 169 Cb 0.17 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 1j1b h LEU 169 CO -0.02 1.23 0.34 0.00 0.09 0.00 0.00 178.44 180.09 1j1b h ALA 170 N 0.68 0.80 0.35 1.53 0.00 -0.54 0.48 119.26 122.56 1j1b h ALA 170 Ca 0.02 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1j1b h ALA 170 Cb 1.05 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1j1b h ALA 170 CO 0.10 0.03 -0.17 -0.92 0.00 0.00 0.00 179.25 178.29 1j1b h TYR 171 N 0.65 -0.44 -0.31 0.00 5.03 -1.10 -2.34 116.97 118.46 1j1b h TYR 171 Ca 0.27 -0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.47 1j1b h TYR 171 Cb 0.13 0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.54 1j1b h TYR 171 CO -0.08 -0.18 -0.19 -0.84 -1.32 0.00 0.00 178.16 175.55 1j1b h ILE 172 N -0.62 1.26 0.00 1.81 3.07 -1.14 -2.81 117.51 119.08 1j1b h ILE 172 Ca -0.05 -1.21 -0.04 0.00 1.55 0.00 0.00 64.86 65.11 1j1b h ILE 172 Cb 0.45 1.23 -0.01 0.00 -0.27 0.00 0.00 36.82 38.23 1j1b h ILE 172 CO 0.08 0.39 -0.21 0.45 -1.05 0.00 0.00 178.15 177.81 1j1b h HIS 173 N 0.52 0.00 0.00 0.16 3.86 -0.88 -1.60 115.15 117.21 1j1b h HIS 173 Ca 0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1j1b h HIS 173 Cb 0.62 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.09 1j1b h HIS 173 CO 0.02 0.21 0.00 0.66 0.86 0.00 0.00 177.93 179.69 1j1b h SER 174 N 0.00 0.00 -0.55 2.45 4.64 -1.14 0.11 113.55 119.07 1j1b h SER 174 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j1b h SER 174 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1j1b h SER 174 CO 0.03 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.48 1j1b n PHE 175 N -2.57 0.72 -0.98 4.77 3.72 -0.68 -4.93 117.46 117.51 1j1b n PHE 175 Ca 0.01 -0.40 0.00 0.00 -0.05 0.00 0.00 57.45 57.01 1j1b n PHE 175 Cb 0.21 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 1j1b n PHE 175 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1j1b n GLY 176 N 1.42 0.48 3.71 1.37 0.00 0.39 -4.95 105.19 107.60 1j1b n GLY 176 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 1j1b n GLY 176 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j1b s ILE 177 N -2.11 5.13 -0.12 -0.61 1.01 -0.74 -1.22 121.20 122.53 1j1b s ILE 177 Ca 0.00 1.10 -0.02 0.00 0.00 0.00 0.00 60.65 61.72 1j1b s ILE 177 Cb 0.00 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 1j1b s ILE 177 CO 0.00 0.26 -0.03 0.00 0.00 0.00 0.00 174.94 175.17 1j1b h HIS 179 N 6.05 0.45 0.00 0.00 2.76 -1.90 -1.62 115.15 120.89 1j1b h HIS 179 Ca -0.39 -0.16 0.00 0.00 -2.20 0.00 0.00 60.37 57.62 1j1b h HIS 179 Cb 1.19 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 30.06 1j1b h HIS 179 CO 0.56 0.83 0.00 0.54 -1.30 0.00 0.00 177.93 178.56 1j1b n ARG 180 N -4.50 -0.37 -2.70 5.26 1.74 -1.26 -2.58 116.66 112.25 1j1b n ARG 180 Ca -0.07 0.09 -0.06 0.00 -0.77 0.00 0.00 57.85 57.04 1j1b n ARG 180 Cb 0.42 -3.66 0.07 0.00 -1.02 0.00 0.00 32.46 28.27 1j1b n ARG 180 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1j1b n ASP 181 N -0.19 0.31 -4.66 0.55 2.03 -1.26 -1.80 116.55 111.53 1j1b n ASP 181 Ca 0.00 -2.49 -0.43 0.00 0.52 0.00 0.00 54.79 52.39 1j1b n ASP 181 Cb 0.09 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.47 1j1b n ASP 181 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1j1b s ILE 182 N -2.05 4.28 0.08 5.18 -1.09 -1.26 -4.82 121.20 121.51 1j1b s ILE 182 Ca 0.24 1.56 -0.26 0.00 -2.23 0.00 0.00 60.65 59.96 1j1b s ILE 182 Cb 0.42 -4.00 0.09 0.00 -1.58 0.00 0.00 42.46 37.38 1j1b s ILE 182 CO -0.02 -0.12 0.74 -1.59 -1.23 0.00 0.00 174.94 172.72 1j1b s LYS 183 N 3.29 1.05 0.36 2.79 -2.85 -1.26 -4.81 119.74 118.32 1j1b s LYS 183 Ca 0.55 -0.39 0.13 0.00 -1.00 0.00 0.00 55.97 55.26 1j1b s LYS 183 Cb -0.22 0.49 0.96 0.00 -2.06 0.00 0.00 37.83 36.99 1j1b s LYS 183 CO 0.16 -0.46 1.77 -1.35 0.10 0.00 0.00 175.35 175.56 1j1b h PRO 184 N 2.00 0.52 0.00 1.78 0.11 -1.95 -0.02 132.00 134.44 1j1b h PRO 184 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1j1b h PRO 184 Cb 1.28 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1j1b h PRO 184 CO 0.34 0.34 0.00 1.96 -0.21 0.00 0.00 178.00 180.44 1j1b h GLN 185 N 0.53 0.00 -0.63 1.05 4.20 -1.96 -2.53 115.11 115.78 1j1b h GLN 185 Ca 0.60 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.31 1j1b h GLN 185 Cb 1.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.04 1j1b h GLN 185 CO -0.36 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 177.89 1j1b n ASN 186 N -2.66 4.64 -4.05 1.46 3.02 -0.02 -4.75 115.26 112.89 1j1b n ASN 186 Ca 0.01 -2.42 -0.34 0.00 -0.03 0.00 0.00 54.58 51.80 1j1b n ASN 186 Cb 0.25 -0.56 -0.13 0.00 -0.61 0.00 0.00 39.78 38.73 1j1b n ASN 186 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1j1b s LEU 187 N -1.80 4.93 0.44 3.41 1.43 -0.98 -1.61 118.68 124.51 1j1b s LEU 187 Ca 0.50 -2.44 -0.22 0.00 -1.03 0.00 0.00 54.13 50.94 1j1b s LEU 187 Cb 0.32 -1.74 -0.09 0.00 0.03 0.00 0.00 46.19 44.71 1j1b s LEU 187 CO 0.24 -0.40 1.04 -0.76 0.23 0.00 0.00 176.35 176.71 1j1b s LEU 188 N 0.53 4.01 0.01 1.79 1.43 -0.14 -0.59 118.68 125.72 1j1b s LEU 188 Ca 0.13 1.99 0.01 0.00 -1.03 0.00 0.00 54.13 55.22 1j1b s LEU 188 Cb -0.22 -4.35 -0.01 0.00 0.03 0.00 0.00 46.19 41.64 1j1b s LEU 188 CO -0.04 -0.62 -0.03 -0.76 0.23 0.00 0.00 176.35 175.13 1j1b s LEU 189 N -3.01 2.09 -0.45 1.79 1.43 0.80 -0.69 118.68 120.65 1j1b s LEU 189 Ca 0.62 -0.22 -0.02 0.00 -1.03 0.00 0.00 54.13 53.48 1j1b s LEU 189 Cb -0.19 -0.09 0.12 0.00 0.03 0.00 0.00 46.19 46.06 1j1b s LEU 189 CO 0.24 -0.08 0.24 -0.62 0.23 0.00 0.00 176.35 176.37 1j1b s ASP 190 N -0.59 5.20 0.35 2.29 -1.08 -0.47 -0.99 116.67 121.38 1j1b s ASP 190 Ca -0.04 -2.21 0.13 0.00 -0.52 0.00 0.00 52.55 49.91 1j1b s ASP 190 Cb -0.04 -1.82 0.96 0.00 -1.46 0.00 0.00 42.92 40.56 1j1b s ASP 190 CO -0.00 -0.50 1.75 1.55 0.52 0.00 0.00 175.17 178.49 1j1b h PRO 191 N 7.81 0.51 -0.37 4.34 0.13 -1.95 0.24 132.00 142.71 1j1b h PRO 191 Ca -0.10 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 64.86 1j1b h PRO 191 Cb 1.03 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 1j1b h PRO 191 CO 0.69 0.34 -0.33 -0.44 -0.23 0.00 0.00 178.00 178.03 1j1b h ASP 192 N 0.52 0.87 0.20 1.44 3.45 -1.97 -3.25 116.42 117.68 1j1b h ASP 192 Ca 0.62 -0.37 0.00 0.00 0.43 0.00 0.00 57.03 57.71 1j1b h ASP 192 Cb 1.30 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 39.83 1j1b h ASP 192 CO -0.39 1.12 -1.27 0.35 -1.57 0.00 0.00 179.24 177.47 1j1b n THR 193 N -4.07 0.08 -1.35 0.35 -2.24 -0.98 -4.94 114.28 101.13 1j1b n THR 193 Ca -0.01 -0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 61.42 1j1b n THR 193 Cb 0.50 0.38 -0.04 0.00 -2.10 0.00 0.00 70.33 69.07 1j1b n THR 193 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j1b n ALA 194 N -1.85 -0.17 -2.43 6.98 0.00 0.82 -4.12 120.51 119.75 1j1b n ALA 194 Ca 0.01 0.16 -0.40 0.00 0.00 0.00 0.00 53.44 53.21 1j1b n ALA 194 Cb 0.44 -1.27 -0.05 0.00 0.00 0.00 0.00 19.45 18.57 1j1b n ALA 194 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1j1b s VAL 195 N -2.39 4.73 -0.07 0.00 1.01 -1.18 -4.82 120.40 117.68 1j1b s VAL 195 Ca 0.00 1.72 0.01 0.00 0.00 0.00 0.00 61.98 63.71 1j1b s VAL 195 Cb 0.00 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 1j1b s VAL 195 CO 0.00 0.33 -0.09 -0.22 0.00 0.00 0.00 175.10 175.13 1j1b s LEU 196 N 0.11 3.06 -0.07 3.92 0.20 -1.26 -1.37 118.68 123.26 1j1b s LEU 196 Ca 0.41 -0.07 -0.01 0.00 0.69 0.00 0.00 54.13 55.15 1j1b s LEU 196 Cb -0.21 -1.66 0.03 0.00 -0.43 0.00 0.00 46.19 43.92 1j1b s LEU 196 CO 0.24 0.35 -0.01 -0.54 -0.29 0.00 0.00 176.35 176.10 1j1b s LYS 197 N -0.73 0.76 0.26 1.98 1.02 0.14 -4.41 119.74 118.75 1j1b s LYS 197 Ca 0.11 0.03 -0.30 0.00 0.02 0.00 0.00 55.97 55.84 1j1b s LYS 197 Cb -0.11 -1.05 -0.09 0.00 -0.52 0.00 0.00 37.83 36.06 1j1b s LYS 197 CO 0.01 -0.27 1.24 -1.17 -0.92 0.00 0.00 175.35 174.24 1j1b s LEU 198 N 1.82 4.46 0.00 3.17 2.96 0.09 -0.97 118.68 130.21 1j1b s LEU 198 Ca 0.03 2.44 0.06 0.00 -0.22 0.00 0.00 54.13 56.44 1j1b s LEU 198 Cb -0.12 -3.63 -0.02 0.00 0.50 0.00 0.00 46.19 42.92 1j1b s LEU 198 CO -0.05 -0.42 0.22 0.00 -1.32 0.00 0.00 176.35 174.78 1j1b n ASP 200 N -1.72 -7.52 -1.92 0.00 2.03 -1.26 -4.86 116.55 101.30 1j1b n ASP 200 Ca 0.03 0.76 -0.08 0.00 0.52 0.00 0.00 54.79 56.02 1j1b n ASP 200 Cb 0.56 -5.04 0.26 0.00 -0.72 0.00 0.00 41.12 36.17 1j1b n ASP 200 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1j1b n PHE 201 N -0.01 2.30 0.39 -0.67 3.01 -1.26 -4.48 117.46 116.73 1j1b n PHE 201 Ca 0.08 -1.18 0.10 0.00 1.01 0.00 0.00 57.45 57.46 1j1b n PHE 201 Cb 0.29 -0.67 0.42 0.00 -0.01 0.00 0.00 39.48 39.51 1j1b n PHE 201 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1j1b n GLY 202 N -0.21 -1.13 0.09 1.37 0.00 -1.26 -2.43 105.19 101.61 1j1b n GLY 202 Ca 0.39 0.05 0.02 0.00 0.00 0.00 0.00 46.02 46.48 1j1b n GLY 202 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j1b n SER 203 N -1.99 0.77 -4.75 1.61 7.64 -1.26 -4.92 113.62 110.71 1j1b n SER 203 Ca 0.02 -0.89 -0.38 0.00 1.01 0.00 0.00 58.87 58.64 1j1b n SER 203 Cb 0.19 0.51 0.03 0.00 -1.01 0.00 0.00 64.21 63.93 1j1b n SER 203 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j1b s ALA 204 N -0.89 2.78 -0.22 -0.43 0.00 -1.02 -4.65 121.76 117.32 1j1b s ALA 204 Ca 0.03 1.22 -0.27 0.00 0.00 0.00 0.00 51.96 52.95 1j1b s ALA 204 Cb 0.03 -3.52 0.09 0.00 0.00 0.00 0.00 23.12 19.72 1j1b s ALA 204 CO 0.11 -1.25 0.82 0.21 0.00 0.00 0.00 175.76 175.65 1j1b s LYS 205 N -2.96 0.77 -0.10 0.00 2.20 -0.61 -4.90 119.74 114.15 1j1b s LYS 205 Ca 0.72 0.69 -0.30 0.00 -0.36 0.00 0.00 55.97 56.72 1j1b s LYS 205 Cb -0.37 0.37 -0.02 0.00 -1.51 0.00 0.00 37.83 36.30 1j1b s LYS 205 CO 0.43 -0.14 1.18 -1.14 -0.36 0.00 0.00 175.35 175.33 1j1b s GLN 206 N -0.07 4.32 -0.21 4.03 0.74 -1.26 -1.52 119.66 125.70 1j1b s GLN 206 Ca -0.01 1.61 -0.16 0.00 0.05 0.00 0.00 55.36 56.85 1j1b s GLN 206 Cb -0.04 -3.61 -0.04 0.00 1.10 0.00 0.00 33.01 30.42 1j1b s GLN 206 CO 0.01 -0.51 0.43 -0.51 -0.55 0.00 0.00 175.29 174.15 1j1b s LEU 207 N 2.59 4.14 -0.21 3.68 1.43 -0.36 -4.97 118.68 124.99 1j1b s LEU 207 Ca 0.54 0.53 -0.04 0.00 -1.03 0.00 0.00 54.13 54.13 1j1b s LEU 207 Cb -0.22 -2.56 -0.01 0.00 0.03 0.00 0.00 46.19 43.42 1j1b s LEU 207 CO 0.18 -0.12 -0.03 -0.69 0.23 0.00 0.00 176.35 175.93 1j1b s VAL 208 N 1.48 3.56 0.05 -1.59 1.01 -1.26 -4.92 120.40 118.74 1j1b s VAL 208 Ca 0.20 -0.44 -0.38 0.00 0.00 0.00 0.00 61.98 61.37 1j1b s VAL 208 Cb -0.15 -2.61 -0.17 0.00 0.00 0.00 0.00 36.38 33.44 1j1b s VAL 208 CO 0.09 0.42 1.30 -1.14 0.00 0.00 0.00 175.10 175.77 1j1b n ARG 209 N 4.59 0.91 0.00 2.72 3.00 -1.26 -0.60 116.66 126.02 1j1b n ARG 209 Ca -0.18 0.33 0.00 0.00 -0.00 0.00 0.00 57.85 58.00 1j1b n ARG 209 Cb 0.51 -1.94 0.00 0.00 0.00 0.00 0.00 32.46 31.03 1j1b n ARG 209 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1j1b n GLY 210 N 2.38 2.82 3.68 5.14 0.00 -1.26 -5.03 105.19 112.92 1j1b n GLY 210 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1j1b n GLY 210 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j1b s GLU 211 N -0.55 4.20 0.54 1.61 2.02 0.23 -5.06 118.70 121.68 1j1b s GLU 211 Ca 0.00 0.25 -0.20 0.00 0.02 0.00 0.00 54.97 55.05 1j1b s GLU 211 Cb 0.00 -3.52 -0.06 0.00 0.10 0.00 0.00 34.13 30.65 1j1b s GLU 211 CO 0.00 -0.02 1.12 -1.25 0.02 0.00 0.00 175.26 175.13 1j1b s PRO 212 N 1.23 3.41 0.05 0.39 0.04 -1.26 -4.71 135.00 134.15 1j1b s PRO 212 Ca 0.20 1.58 0.02 0.00 0.04 0.00 0.00 61.00 62.84 1j1b s PRO 212 Cb -0.15 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 1j1b s PRO 212 CO 0.08 -0.80 -0.06 -0.80 0.04 0.00 0.00 177.00 175.46 1j1b s ASN 213 N -1.80 0.75 0.34 6.66 0.01 -0.11 -5.04 114.94 115.75 1j1b s ASN 213 Ca 0.72 -0.63 -0.29 0.00 -0.71 0.00 0.00 52.86 51.96 1j1b s ASN 213 Cb -0.23 0.07 -0.10 0.00 0.41 0.00 0.00 41.25 41.39 1j1b s ASN 213 CO 0.26 -0.28 1.37 0.68 -1.51 0.00 0.00 177.10 177.62 1j1b s VAL 214 N -1.85 2.51 -2.47 1.60 -7.23 -1.26 -4.38 120.40 107.32 1j1b s VAL 214 Ca -0.07 0.51 0.23 0.00 -1.81 0.00 0.00 61.98 60.83 1j1b s VAL 214 Cb -0.07 -3.32 0.43 0.00 0.56 0.00 0.00 36.38 33.97 1j1b s VAL 214 CO -0.01 0.12 1.50 -1.54 -0.31 0.00 0.00 175.10 174.85 1j1b n SER 215 N 0.80 2.32 -1.58 4.85 3.41 -1.26 -4.21 113.62 117.96 1j1b n SER 215 Ca 0.01 -1.80 0.07 0.00 -0.26 0.00 0.00 58.87 56.89 1j1b n SER 215 Cb 0.41 -0.11 0.33 0.00 -0.26 0.00 0.00 64.21 64.58 1j1b n SER 215 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j1b n TYR 216 N 0.77 1.56 -2.39 7.33 0.18 -1.26 -4.80 117.16 118.55 1j1b n TYR 216 Ca 0.17 -0.58 -0.25 0.00 1.88 0.00 0.00 57.90 59.13 1j1b n TYR 216 Cb 0.45 -0.34 0.11 0.00 -0.38 0.00 0.00 39.34 39.17 1j1b n TYR 216 CO 0.00 0.00 0.00 0.96 -2.08 0.00 0.00 176.86 175.74 1j1b s ILE 217 N -2.17 2.20 0.11 -3.48 -5.25 -1.26 -4.98 121.20 106.38 1j1b s ILE 217 Ca 0.46 -0.43 0.00 0.00 -0.99 0.00 0.00 60.65 59.70 1j1b s ILE 217 Cb 0.33 -2.78 0.00 0.00 2.95 0.00 0.00 42.46 42.96 1j1b s ILE 217 CO 0.18 0.00 0.00 0.00 -1.79 0.00 0.00 174.94 173.33 1j1b s SER 219 N -1.65 6.67 0.39 0.00 0.01 -1.26 -4.80 113.70 113.06 1j1b s SER 219 Ca 0.00 1.97 -0.26 0.00 1.31 0.00 0.00 55.95 58.96 1j1b s SER 219 Cb 0.00 -2.57 -0.11 0.00 0.21 0.00 0.00 66.02 63.55 1j1b s SER 219 CO 0.00 -0.55 1.28 -2.11 0.41 0.00 0.00 173.24 172.27 1j1b n ARG 220 N -0.36 2.03 0.00 12.44 1.85 -1.26 -1.80 116.66 129.56 1j1b n ARG 220 Ca 0.06 0.72 0.00 0.00 -1.00 0.00 0.00 57.85 57.63 1j1b n ARG 220 Cb 0.51 -2.37 0.00 0.00 -1.05 0.00 0.00 32.46 29.55 1j1b n ARG 220 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1j1b n TYR 221 N 0.02 0.00 0.58 2.89 4.02 -1.26 -4.78 117.16 118.63 1j1b n TYR 221 Ca 0.06 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 58.02 1j1b n TYR 221 Cb 0.38 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.76 1j1b n TYR 221 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1j1b n TYR 222 N 0.00 0.01 -2.29 -0.72 4.01 -0.74 -4.58 117.16 112.85 1j1b n TYR 222 Ca 0.00 -0.01 -0.42 0.00 -0.16 0.00 0.00 57.90 57.31 1j1b n TYR 222 Cb 0.00 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.00 1j1b n TYR 222 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1j1b s ARG 223 N -1.19 4.36 0.59 -0.72 0.52 -1.12 -3.90 118.95 117.49 1j1b s ARG 223 Ca 0.17 1.93 -0.19 0.00 -0.52 0.00 0.00 55.73 57.12 1j1b s ARG 223 Cb 0.12 -3.33 -0.04 0.00 0.52 0.00 0.00 34.95 32.23 1j1b s ARG 223 CO 0.18 -0.38 1.22 0.00 0.02 0.00 0.00 175.30 176.34 1j1b s ALA 224 N 1.23 2.56 0.34 2.13 0.00 -1.26 -4.83 121.76 121.93 1j1b s ALA 224 Ca 0.62 1.04 0.06 0.00 0.00 0.00 0.00 51.96 53.67 1j1b s ALA 224 Cb -0.33 -3.46 0.71 0.00 0.00 0.00 0.00 23.12 20.04 1j1b s ALA 224 CO 0.29 -1.18 1.90 -1.00 0.00 0.00 0.00 175.76 175.77 1j1b h PRO 225 N 0.93 0.78 0.00 0.00 0.13 -1.94 -0.74 132.00 131.16 1j1b h PRO 225 Ca -0.50 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.57 1j1b h PRO 225 Cb 1.30 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1j1b h PRO 225 CO 0.55 0.52 -0.02 1.05 -0.23 0.00 0.00 178.00 179.87 1j1b h GLU 226 N 0.81 0.00 -0.13 0.86 9.09 -1.90 0.88 114.58 124.19 1j1b h GLU 226 Ca 0.41 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.66 1j1b h GLU 226 Cb 0.48 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.58 1j1b h GLU 226 CO -0.17 0.02 -0.55 -0.07 0.05 0.00 0.00 179.01 178.29 1j1b h LEU 227 N 0.00 0.71 -1.09 3.06 3.38 -1.45 0.95 115.31 120.87 1j1b h LEU 227 Ca -0.00 -0.63 -0.03 0.00 0.09 0.00 0.00 57.88 57.31 1j1b h LEU 227 Cb 0.05 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1j1b h LEU 227 CO 0.00 1.22 0.29 0.40 0.09 0.00 0.00 178.44 180.44 1j1b h ILE 228 N 0.24 1.22 0.00 1.22 2.04 -0.94 -0.05 117.51 121.24 1j1b h ILE 228 Ca -0.03 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1j1b h ILE 228 Cb 1.19 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1j1b h ILE 228 CO 0.12 0.26 0.00 0.49 0.00 0.00 0.00 178.15 179.02 1j1b n PHE 229 N -4.33 0.00 -1.15 1.37 0.99 0.19 -4.89 117.46 109.64 1j1b n PHE 229 Ca 0.06 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.46 1j1b n PHE 229 Cb 0.15 0.00 -0.02 0.00 -1.00 0.00 0.00 39.48 38.60 1j1b n PHE 229 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1j1b n GLY 230 N 0.50 0.78 3.75 1.37 0.00 -0.03 -4.64 105.19 106.92 1j1b n GLY 230 Ca 0.10 -0.79 -0.37 0.00 0.00 0.00 0.00 46.02 44.97 1j1b n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j1b s ALA 231 N -2.18 2.66 0.00 4.61 0.00 0.30 -4.86 121.76 122.29 1j1b s ALA 231 Ca 0.00 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1j1b s ALA 231 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1j1b s ALA 231 CO 0.00 -1.22 0.39 0.25 0.00 0.00 0.00 175.76 175.17 1j1b n THR 232 N -1.31 0.00 -1.18 0.00 -2.24 -1.26 -4.28 114.28 104.01 1j1b n THR 232 Ca 0.12 -0.45 -0.01 0.00 -2.27 0.00 0.00 64.05 61.45 1j1b n THR 232 Cb 0.48 1.09 0.24 0.00 -2.10 0.00 0.00 70.33 70.04 1j1b n THR 232 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1j1b n ASP 233 N -0.12 3.54 -4.71 3.42 5.75 -1.26 -0.93 116.55 122.24 1j1b n ASP 233 Ca 0.00 -3.37 -0.30 0.00 -0.01 0.00 0.00 54.79 51.12 1j1b n ASP 233 Cb 0.02 -0.63 0.14 0.00 -1.03 0.00 0.00 41.12 39.62 1j1b n ASP 233 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 1j1b s TYR 234 N -3.04 2.26 0.15 2.11 -0.85 -1.26 -5.00 117.35 111.72 1j1b s TYR 234 Ca 0.46 1.28 0.00 0.00 -0.52 0.00 0.00 57.07 58.29 1j1b s TYR 234 Cb 0.39 -3.16 0.00 0.00 0.38 0.00 0.00 41.96 39.57 1j1b s TYR 234 CO 0.07 -2.45 0.01 0.25 -1.52 0.00 0.00 175.55 171.91 1j1b n THR 235 N -3.92 0.00 0.26 -3.49 -2.24 -1.26 -5.00 114.28 98.62 1j1b n THR 235 Ca 0.07 -0.71 0.11 0.00 -2.27 0.00 0.00 64.05 61.25 1j1b n THR 235 Cb 0.55 0.11 0.52 0.00 -2.10 0.00 0.00 70.33 69.40 1j1b n THR 235 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1j1b n SER 236 N -1.16 0.57 0.00 3.42 7.64 -1.26 -2.25 113.62 120.59 1j1b n SER 236 Ca -0.06 0.71 0.04 0.00 1.01 0.00 0.00 58.87 60.57 1j1b n SER 236 Cb 0.19 -0.80 0.19 0.00 -1.01 0.00 0.00 64.21 62.78 1j1b n SER 236 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1j1b n SER 237 N -2.20 0.00 0.20 6.43 3.41 -1.26 -1.20 113.62 118.99 1j1b n SER 237 Ca 0.00 0.29 0.06 0.00 -0.26 0.00 0.00 58.87 58.97 1j1b n SER 237 Cb 0.12 -0.36 0.37 0.00 -0.26 0.00 0.00 64.21 64.08 1j1b n SER 237 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1j1b h ILE 238 N 0.00 0.85 -0.04 -1.33 3.07 -1.84 -2.58 117.51 115.63 1j1b h ILE 238 Ca 0.00 -1.40 -0.13 0.00 1.55 0.00 0.00 64.86 64.87 1j1b h ILE 238 Cb 0.10 1.86 -0.01 0.00 -0.27 0.00 0.00 36.82 38.50 1j1b h ILE 238 CO 0.00 0.34 -0.59 0.44 -1.05 0.00 0.00 178.15 177.29 1j1b h ASP 239 N 0.00 0.14 0.01 2.16 3.45 -1.41 -2.41 116.42 118.36 1j1b h ASP 239 Ca -0.00 -0.08 -0.18 0.00 0.43 0.00 0.00 57.03 57.20 1j1b h ASP 239 Cb 0.84 -0.04 -0.00 0.00 -0.56 0.00 0.00 39.33 39.56 1j1b h ASP 239 CO 0.04 0.70 -0.61 0.58 -1.57 0.00 0.00 179.24 178.38 1j1b h VAL 240 N 0.10 1.32 -0.10 -1.35 2.07 -1.57 -0.28 116.25 116.43 1j1b h VAL 240 Ca -0.00 -1.87 -0.01 0.00 0.82 0.00 0.00 66.70 65.63 1j1b h VAL 240 Cb 1.06 1.84 -0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1j1b h VAL 240 CO 0.08 0.58 0.04 -0.25 0.02 0.00 0.00 177.57 178.04 1j1b h TRP 241 N 0.44 0.15 -0.66 1.57 2.91 -1.34 -0.30 115.95 118.72 1j1b h TRP 241 Ca -0.01 -0.01 0.06 0.00 1.13 0.00 0.00 58.89 60.07 1j1b h TRP 241 Cb 1.18 -0.04 -0.06 0.00 -0.51 0.00 0.00 29.16 29.73 1j1b h TRP 241 CO 0.05 0.27 0.35 0.77 -1.03 0.00 0.00 178.44 178.85 1j1b h SER 242 N -0.01 0.51 -0.90 2.65 0.02 -1.33 -0.40 113.55 114.09 1j1b h SER 242 Ca 0.03 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1j1b h SER 242 Cb 0.18 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.62 1j1b h SER 242 CO -0.00 0.33 0.55 0.00 -1.14 0.00 0.00 176.83 176.57 1j1b h ALA 243 N 1.35 1.15 -0.22 3.77 0.00 -0.80 -1.49 119.26 123.02 1j1b h ALA 243 Ca 0.30 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1j1b h ALA 243 Cb 0.21 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1j1b h ALA 243 CO -0.20 0.59 -0.02 0.78 0.00 0.00 0.00 179.25 180.40 1j1b h GLY 244 N 1.23 0.35 1.58 0.00 0.00 0.48 -0.85 103.07 105.86 1j1b h GLY 244 Ca 0.32 -0.19 -0.14 0.00 0.00 0.00 0.00 47.33 47.33 1j1b h GLY 244 CO -0.06 0.17 -0.50 0.00 0.00 0.00 0.00 176.54 176.15 1j1b h VAL 246 N 0.36 1.30 -0.01 0.00 2.07 -0.49 -1.86 116.25 117.62 1j1b h VAL 246 Ca 0.01 -1.15 0.02 0.00 0.82 0.00 0.00 66.70 66.40 1j1b h VAL 246 Cb 1.01 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 1j1b h VAL 246 CO 0.09 0.36 -0.09 0.25 0.02 0.00 0.00 177.57 178.20 1j1b h LEU 247 N 0.22 -0.26 -0.92 2.57 5.85 -1.08 -1.06 115.31 120.64 1j1b h LEU 247 Ca 0.06 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.87 1j1b h LEU 247 Cb 0.59 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.67 1j1b h LEU 247 CO 0.03 -0.13 0.59 0.00 -0.34 0.00 0.00 178.44 178.59 1j1b h ALA 248 N 0.83 1.25 -0.59 1.25 0.00 -1.35 -1.66 119.26 119.00 1j1b h ALA 248 Ca 0.04 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1j1b h ALA 248 Cb 0.20 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1j1b h ALA 248 CO -0.10 0.38 0.12 1.49 0.00 0.00 0.00 179.25 181.14 1j1b h GLU 249 N 1.09 0.93 -0.04 0.00 4.81 -0.89 0.30 114.58 120.77 1j1b h GLU 249 Ca 0.39 -0.21 -0.12 0.00 -0.13 0.00 0.00 59.36 59.29 1j1b h GLU 249 Cb 0.12 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1j1b h GLU 249 CO -0.16 0.84 -0.52 -0.07 -0.73 0.00 0.00 179.01 178.38 1j1b h LEU 250 N 0.88 0.13 0.15 1.64 3.38 -0.54 0.30 115.31 121.26 1j1b h LEU 250 Ca 0.19 -0.06 -0.31 0.00 0.09 0.00 0.00 57.88 57.79 1j1b h LEU 250 Cb 0.35 -0.04 0.03 0.00 0.09 0.00 0.00 40.66 41.10 1j1b h LEU 250 CO 0.00 0.62 -1.29 -0.07 0.09 0.00 0.00 178.44 177.80 1j1b h LEU 251 N 0.09 0.87 0.18 1.67 3.38 -0.87 -3.37 115.31 117.27 1j1b h LEU 251 Ca 0.00 -0.85 -0.31 0.00 0.09 0.00 0.00 57.88 56.81 1j1b h LEU 251 Cb 0.94 -0.28 0.02 0.00 0.09 0.00 0.00 40.66 41.43 1j1b h LEU 251 CO 0.07 1.63 -1.43 -0.07 0.09 0.00 0.00 178.44 178.73 1j1b h LEU 252 N 0.23 0.61 0.00 1.67 3.38 -0.36 -3.46 115.31 117.38 1j1b h LEU 252 Ca -0.20 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.07 1j1b h LEU 252 Cb 1.97 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.52 1j1b h LEU 252 CO 0.25 1.55 0.00 0.61 0.09 0.00 0.00 178.44 180.94 1j1b n GLY 253 N 1.66 0.73 3.48 0.83 0.00 0.11 -5.04 105.19 106.95 1j1b n GLY 253 Ca -0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 1j1b n GLY 253 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1j1b s GLN 254 N -0.95 1.04 0.35 1.61 -2.07 -1.15 -4.83 119.66 113.67 1j1b s GLN 254 Ca 0.00 -0.39 -0.27 0.00 -1.82 0.00 0.00 55.36 52.88 1j1b s GLN 254 Cb 0.00 0.47 -0.12 0.00 -1.09 0.00 0.00 33.01 32.27 1j1b s GLN 254 CO 0.00 -0.46 1.20 -2.30 -1.32 0.00 0.00 175.29 172.41 1j1b n PRO 255 N -0.31 1.85 0.07 9.60 -0.02 -1.26 -4.29 135.00 140.63 1j1b n PRO 255 Ca -0.12 0.65 -0.02 0.00 -2.02 0.00 0.00 63.50 61.99 1j1b n PRO 255 Cb 0.63 -2.20 -0.06 0.00 -0.02 0.00 0.00 33.50 31.85 1j1b n PRO 255 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1j1b h ILE 256 N 2.24 0.91 -2.15 4.25 2.10 -1.89 -3.39 117.51 119.58 1j1b h ILE 256 Ca -0.45 -2.44 -0.57 0.00 1.08 0.00 0.00 64.86 62.48 1j1b h ILE 256 Cb 1.30 2.38 -0.41 0.00 -1.09 0.00 0.00 36.82 39.00 1j1b h ILE 256 CO 0.61 0.52 -0.80 0.49 -1.08 0.00 0.00 178.15 177.89 1j1b n PHE 257 N -3.12 2.40 -1.54 2.19 0.99 -1.26 -4.90 117.46 112.22 1j1b n PHE 257 Ca -0.05 -3.94 -0.29 0.00 -0.00 0.00 0.00 57.45 53.17 1j1b n PHE 257 Cb 0.85 -0.48 0.12 0.00 -1.00 0.00 0.00 39.48 38.97 1j1b n PHE 257 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 1j1b s PRO 258 N -2.40 1.49 0.00 -1.08 0.04 -1.26 -4.39 135.00 127.39 1j1b s PRO 258 Ca 0.41 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.87 1j1b s PRO 258 Cb 0.21 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.88 1j1b s PRO 258 CO -0.07 -1.99 0.00 0.41 0.04 0.00 0.00 177.00 175.39 1j1b n GLY 259 N -2.15 3.99 0.12 0.56 0.00 -1.26 -4.06 105.19 102.39 1j1b n GLY 259 Ca 0.07 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 45.92 1j1b n GLY 259 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1j1b h ASP 260 N 0.00 0.00 -3.78 1.61 3.32 -1.97 -3.44 116.42 112.16 1j1b h ASP 260 Ca 0.00 -0.06 -0.38 0.00 0.02 0.00 0.00 57.03 56.61 1j1b h ASP 260 Cb 0.00 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.41 1j1b h ASP 260 CO 0.00 0.03 -0.68 -0.94 -1.72 0.00 0.00 179.24 175.94 1j1b s SER 261 N -4.99 1.94 0.26 6.45 1.04 -1.26 -5.04 113.70 112.09 1j1b s SER 261 Ca 0.07 -1.16 -0.05 0.00 0.48 0.00 0.00 55.95 55.28 1j1b s SER 261 Cb 0.10 -0.02 0.28 0.00 0.10 0.00 0.00 66.02 66.49 1j1b s SER 261 CO 0.68 -0.44 1.93 1.23 0.98 0.00 0.00 173.24 177.62 1j1b h GLY 262 N 2.53 1.37 1.01 7.32 0.00 -1.97 -1.95 103.07 111.38 1j1b h GLY 262 Ca -0.38 -0.52 0.01 0.00 0.00 0.00 0.00 47.33 46.43 1j1b h GLY 262 CO 0.64 0.51 0.39 -2.08 0.00 0.00 0.00 176.54 176.01 1j1b h VAL 263 N 1.32 1.16 -0.30 4.60 2.07 -1.97 -0.52 116.25 122.61 1j1b h VAL 263 Ca 0.35 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 1j1b h VAL 263 Cb -0.13 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 1j1b h VAL 263 CO -0.07 0.15 0.14 0.44 0.02 0.00 0.00 177.57 178.24 1j1b h ASP 264 N 0.81 0.39 -0.42 0.57 3.45 -1.82 -0.59 116.42 118.81 1j1b h ASP 264 Ca 0.22 -0.13 0.03 0.00 0.43 0.00 0.00 57.03 57.58 1j1b h ASP 264 Cb -0.09 -0.10 -0.03 0.00 -0.56 0.00 0.00 39.33 38.55 1j1b h ASP 264 CO -0.05 0.41 0.21 1.56 -1.57 0.00 0.00 179.24 179.81 1j1b h GLN 265 N 0.34 0.42 -0.64 3.56 4.20 -1.12 -1.47 115.11 120.41 1j1b h GLN 265 Ca 0.10 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 1j1b h GLN 265 Cb 0.13 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 1j1b h GLN 265 CO -0.01 0.28 0.28 -0.07 -0.67 0.00 0.00 178.83 178.64 1j1b h LEU 266 N 0.43 0.83 -0.75 1.46 3.38 -0.83 -1.22 115.31 118.61 1j1b h LEU 266 Ca 0.18 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1j1b h LEU 266 Cb 0.08 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1j1b h LEU 266 CO -0.12 0.73 0.03 0.58 0.09 0.00 0.00 178.44 179.75 1j1b h VAL 267 N 0.91 1.26 -0.08 1.22 2.07 -0.61 0.10 116.25 121.12 1j1b h VAL 267 Ca 0.22 -1.07 -0.08 0.00 0.82 0.00 0.00 66.70 66.58 1j1b h VAL 267 Cb 0.14 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1j1b h VAL 267 CO -0.02 0.39 -0.33 -0.33 0.02 0.00 0.00 177.57 177.30 1j1b h GLU 268 N 0.91 0.16 -0.07 1.57 4.39 -0.66 -0.53 114.58 120.35 1j1b h GLU 268 Ca 0.17 -0.06 -0.16 0.00 0.34 0.00 0.00 59.36 59.65 1j1b h GLU 268 Cb 0.49 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1j1b h GLU 268 CO 0.02 0.48 -0.59 0.82 -1.16 0.00 0.00 179.01 178.58 1j1b h ILE 269 N 0.14 1.37 -0.36 3.13 2.04 -0.72 -3.20 117.51 119.92 1j1b h ILE 269 Ca 0.02 -1.94 -0.04 0.00 1.00 0.00 0.00 64.86 63.90 1j1b h ILE 269 Cb 0.66 2.32 -0.02 0.00 -0.74 0.00 0.00 36.82 39.04 1j1b h ILE 269 CO 0.05 0.58 0.05 0.40 0.00 0.00 0.00 178.15 179.23 1j1b h ILE 270 N 0.09 1.19 -0.29 -0.67 2.04 -0.55 0.21 117.51 119.52 1j1b h ILE 270 Ca -0.05 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.08 1j1b h ILE 270 Cb 1.25 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 1j1b h ILE 270 CO 0.12 0.25 0.06 0.11 0.00 0.00 0.00 178.15 178.68 1j1b h LYS 271 N 0.53 0.43 0.00 2.37 1.57 -1.10 0.73 116.57 121.10 1j1b h LYS 271 Ca 0.12 -0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 58.66 1j1b h LYS 271 Cb 0.27 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1j1b h LYS 271 CO 0.00 0.41 -1.07 0.28 -0.57 0.00 0.00 179.45 178.50 1j1b n VAL 272 N -4.36 1.50 0.83 0.50 0.31 -0.84 -3.66 118.33 112.61 1j1b n VAL 272 Ca 0.01 0.04 0.13 0.00 -0.01 0.00 0.00 64.34 64.51 1j1b n VAL 272 Cb 0.18 -2.13 0.42 0.00 -0.91 0.00 0.00 33.84 31.39 1j1b n VAL 272 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1j1b n LEU 273 N -4.48 0.43 0.00 7.52 4.77 0.69 -0.66 117.00 125.27 1j1b n LEU 273 Ca -0.26 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1j1b n LEU 273 Cb 0.57 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1j1b n LEU 273 CO 0.16 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 1j1b n GLY 274 N 1.42 -1.62 3.75 -0.72 0.00 0.26 -4.44 105.19 103.84 1j1b n GLY 274 Ca 0.06 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 1j1b n GLY 274 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j1b s THR 275 N -2.32 2.23 0.16 2.61 2.01 -0.55 -4.59 115.64 115.20 1j1b s THR 275 Ca 0.00 0.20 -0.30 0.00 0.31 0.00 0.00 61.69 61.89 1j1b s THR 275 Cb 0.00 -3.12 -0.08 0.00 0.01 0.00 0.00 72.50 69.31 1j1b s THR 275 CO 0.00 0.03 1.20 -2.16 -0.69 0.00 0.00 174.62 173.00 1j1b s PRO 276 N -0.34 4.48 1.02 4.92 0.04 -1.26 -4.98 135.00 138.87 1j1b s PRO 276 Ca 0.63 1.87 -0.12 0.00 0.04 0.00 0.00 61.00 63.42 1j1b s PRO 276 Cb -0.46 -3.26 0.18 0.00 0.04 0.00 0.00 34.50 31.00 1j1b s PRO 276 CO 0.45 -0.12 0.97 2.41 0.04 0.00 0.00 177.00 180.75 1j1b n THR 277 N 2.76 0.00 -0.25 1.26 -1.04 -1.26 -4.70 114.28 111.04 1j1b n THR 277 Ca 0.05 -0.18 -0.07 0.00 -2.04 0.00 0.00 64.05 61.81 1j1b n THR 277 Cb 0.45 -0.94 0.06 0.00 -1.82 0.00 0.00 70.33 68.08 1j1b n THR 277 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1j1b h ARG 278 N -2.14 1.12 -0.55 -2.82 2.43 -1.99 -0.68 114.38 109.75 1j1b h ARG 278 Ca -0.50 -0.26 -0.09 0.00 -0.81 0.00 0.00 59.98 58.32 1j1b h ARG 278 Cb 1.30 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 1j1b h ARG 278 CO 0.43 0.99 0.00 1.49 -1.51 0.00 0.00 179.97 181.37 1j1b h GLU 279 N 1.07 0.96 -0.65 0.20 4.22 -1.98 -1.20 114.58 117.20 1j1b h GLU 279 Ca 0.22 -0.30 -0.01 0.00 0.08 0.00 0.00 59.36 59.35 1j1b h GLU 279 Cb 0.36 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1j1b h GLU 279 CO 0.00 0.97 0.37 1.96 -2.18 0.00 0.00 179.01 180.13 1j1b h GLN 280 N 0.84 0.89 -0.70 1.92 4.20 -1.81 0.39 115.11 120.84 1j1b h GLN 280 Ca 0.16 -0.09 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 1j1b h GLN 280 Cb 0.53 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 1j1b h GLN 280 CO 0.03 0.66 0.26 0.82 -0.67 0.00 0.00 178.83 179.92 1j1b h ILE 281 N 0.88 1.25 -0.41 2.54 2.04 -0.94 -1.52 117.51 121.34 1j1b h ILE 281 Ca 0.23 -0.80 -0.09 0.00 1.00 0.00 0.00 64.86 65.20 1j1b h ILE 281 Cb 0.01 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 1j1b h ILE 281 CO -0.04 0.32 -0.10 -0.09 0.00 0.00 0.00 178.15 178.24 1j1b h ARG 282 N 1.03 0.72 -0.68 2.37 2.43 -0.29 -1.10 114.38 118.85 1j1b h ARG 282 Ca 0.23 -0.23 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 1j1b h ARG 282 Cb 0.23 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 1j1b h ARG 282 CO -0.02 0.80 0.16 0.93 -1.51 0.00 0.00 179.97 180.34 1j1b h GLU 283 N 0.66 1.10 0.17 0.20 4.39 0.49 -3.03 114.58 118.57 1j1b h GLU 283 Ca 0.12 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 1j1b h GLU 283 Cb 0.55 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1j1b h GLU 283 CO 0.03 0.98 -0.08 0.52 -1.16 0.00 0.00 179.01 179.30 1j1b h MET 284 N 1.03 -0.23 -0.79 2.33 2.86 -1.06 -3.45 114.93 115.63 1j1b h MET 284 Ca 0.21 0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.96 1j1b h MET 284 Cb 0.38 0.05 -0.20 0.00 0.06 0.00 0.00 31.60 31.88 1j1b h MET 284 CO 0.00 0.19 -0.25 1.21 1.06 0.00 0.00 176.91 179.12 1j1b s ASN 285 N -5.44 -1.26 -1.37 1.22 3.04 -0.44 -4.74 114.94 105.96 1j1b s ASN 285 Ca -0.13 0.26 -0.10 0.00 0.04 0.00 0.00 52.86 52.93 1j1b s ASN 285 Cb 0.01 1.84 -0.07 0.00 -1.54 0.00 0.00 41.25 41.49 1j1b s ASN 285 CO 0.47 -0.23 2.60 -0.81 -3.04 0.00 0.00 177.10 176.09 1j1b n PRO 286 N 5.35 3.06 0.12 0.43 -0.04 -1.14 -4.01 135.00 138.76 1j1b n PRO 286 Ca 0.04 -2.03 0.00 0.00 -0.04 0.00 0.00 63.50 61.48 1j1b n PRO 286 Cb 0.54 -2.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 1j1b n PRO 286 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1j1b n ASN 287 N 4.24 -1.16 -3.89 3.54 3.02 -1.26 -5.07 115.26 114.68 1j1b n ASN 287 Ca 0.65 0.43 -0.54 0.00 -0.03 0.00 0.00 54.58 55.09 1j1b n ASN 287 Cb 0.23 1.24 -0.08 0.00 -0.61 0.00 0.00 39.78 40.56 1j1b n ASN 287 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1j1b n TYR 288 N -3.12 1.15 0.37 3.10 4.02 -1.26 -4.91 117.16 116.51 1j1b n TYR 288 Ca 0.00 0.93 -0.15 0.00 -0.01 0.00 0.00 57.90 58.68 1j1b n TYR 288 Cb 0.00 -1.82 -0.07 0.00 -0.02 0.00 0.00 39.34 37.43 1j1b n TYR 288 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 1j1b h THR 289 N 3.60 0.00 -1.28 -0.72 2.02 -1.97 -3.44 112.91 111.13 1j1b h THR 289 Ca -0.39 -0.23 -0.76 0.00 0.77 0.00 0.00 66.41 65.81 1j1b h THR 289 Cb 1.16 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1j1b h THR 289 CO 0.72 0.00 0.96 1.21 0.37 0.00 0.00 175.52 178.79 1j1b n GLU 290 N -5.21 0.86 0.00 6.66 2.13 -1.26 -4.76 120.64 119.06 1j1b n GLU 290 Ca -0.12 0.30 0.00 0.00 0.66 0.00 0.00 57.16 58.01 1j1b n GLU 290 Cb 0.38 -2.00 0.00 0.00 0.27 0.00 0.00 31.44 30.09 1j1b n GLU 290 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1j1b n PHE 291 N 5.84 0.00 -2.73 4.31 0.99 -1.26 -4.96 117.46 119.64 1j1b n PHE 291 Ca 0.31 -0.24 -0.42 0.00 -0.00 0.00 0.00 57.45 57.10 1j1b n PHE 291 Cb 0.09 -0.02 -0.03 0.00 -1.00 0.00 0.00 39.48 38.52 1j1b n PHE 291 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 1j1b s LYS 292 N -0.48 3.19 -0.14 -1.08 2.20 -1.26 -4.97 119.74 117.20 1j1b s LYS 292 Ca 0.00 -0.67 -0.05 0.00 -0.36 0.00 0.00 55.97 54.89 1j1b s LYS 292 Cb 0.00 -4.30 0.07 0.00 -1.51 0.00 0.00 37.83 32.08 1j1b s LYS 292 CO 0.00 -1.96 0.29 -0.06 -0.36 0.00 0.00 175.35 173.25 1j1b s PHE 293 N 4.68 -0.47 -0.34 4.03 2.99 -1.26 -5.12 117.98 122.49 1j1b s PHE 293 Ca 0.29 1.05 -0.35 0.00 0.00 0.00 0.00 56.93 57.91 1j1b s PHE 293 Cb -0.12 0.02 -0.15 0.00 0.00 0.00 0.00 43.02 42.77 1j1b s PHE 293 CO 0.10 -0.37 1.17 -2.30 -0.00 0.00 0.00 175.22 173.82 1j1b n PRO 294 N 5.29 0.00 -2.22 0.24 -0.01 -1.26 -4.79 135.00 132.25 1j1b n PRO 294 Ca -0.08 0.00 -0.37 0.00 -0.01 0.00 0.00 63.50 63.04 1j1b n PRO 294 Cb 0.50 -1.13 -0.03 0.00 -0.01 0.00 0.00 33.50 32.83 1j1b n PRO 294 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 175.50 174.84 1j1b s GLN 295 N 2.04 2.85 -0.10 -0.52 -1.52 -1.26 -4.70 119.66 116.45 1j1b s GLN 295 Ca 0.78 0.08 -0.02 0.00 -1.95 0.00 0.00 55.36 54.24 1j1b s GLN 295 Cb -1.11 -4.54 -0.03 0.00 -0.22 0.00 0.00 33.01 27.11 1j1b s GLN 295 CO 0.60 -2.64 -0.00 0.42 -0.25 0.00 0.00 175.29 173.41 1j1b s ILE 296 N 8.00 4.25 0.45 1.08 1.09 -1.26 -4.95 121.20 129.86 1j1b s ILE 296 Ca 0.57 -0.26 -0.22 0.00 -1.10 0.00 0.00 60.65 59.64 1j1b s ILE 296 Cb -0.09 -2.80 -0.08 0.00 -1.06 0.00 0.00 42.46 38.42 1j1b s ILE 296 CO 0.13 0.58 1.07 -1.59 -0.10 0.00 0.00 174.94 175.02 1j1b s LYS 297 N -0.61 3.93 0.24 2.79 0.00 -1.26 -1.48 119.74 123.36 1j1b s LYS 297 Ca 0.10 1.50 -0.31 0.00 0.00 0.00 0.00 55.97 57.26 1j1b s LYS 297 Cb -0.12 -2.34 -0.14 0.00 0.00 0.00 0.00 37.83 35.24 1j1b s LYS 297 CO 0.02 -0.34 1.38 0.00 0.00 0.00 0.00 175.35 176.41 1j1b n ALA 298 N -0.51 0.97 -2.62 0.59 0.00 -1.26 -4.40 120.51 113.28 1j1b n ALA 298 Ca 0.07 0.41 -0.41 0.00 0.00 0.00 0.00 53.44 53.51 1j1b n ALA 298 Cb 0.50 -2.25 -0.05 0.00 0.00 0.00 0.00 19.45 17.65 1j1b n ALA 298 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1j1b s HIS 299 N -0.12 3.23 -0.46 0.00 2.46 0.16 -4.90 115.29 115.68 1j1b s HIS 299 Ca 0.68 0.80 -0.42 0.00 0.47 0.00 0.00 55.06 56.59 1j1b s HIS 299 Cb -0.66 -3.09 -0.17 0.00 -0.13 0.00 0.00 32.58 28.53 1j1b s HIS 299 CO 0.50 -0.49 2.09 -0.35 -2.47 0.00 0.00 174.74 174.02 1j1b n PRO 300 N 6.03 0.29 -0.22 2.88 -0.04 -1.26 -4.75 135.00 137.93 1j1b n PRO 300 Ca 0.02 0.08 0.31 0.00 -0.04 0.00 0.00 63.50 63.88 1j1b n PRO 300 Cb 0.48 -1.74 0.69 0.00 -0.04 0.00 0.00 33.50 32.89 1j1b n PRO 300 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1j1b h TRP 301 N 9.34 0.00 -0.24 0.54 4.06 -1.93 0.31 115.95 128.03 1j1b h TRP 301 Ca -0.18 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.63 1j1b h TRP 301 Cb 1.39 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.54 1j1b h TRP 301 CO 0.94 0.00 -0.40 1.15 -3.56 0.00 0.00 178.44 176.57 1j1b h THR 302 N 0.00 1.30 0.00 1.49 2.02 -1.94 -2.72 112.91 113.06 1j1b h THR 302 Ca 0.49 -1.57 0.00 0.00 0.77 0.00 0.00 66.41 66.10 1j1b h THR 302 Cb 2.24 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 70.20 1j1b h THR 302 CO -0.01 0.50 0.00 1.17 0.37 0.00 0.00 175.52 177.55 1j1b n LYS 303 N -4.03 0.02 -0.04 6.66 4.81 0.11 -3.45 118.16 122.23 1j1b n LYS 303 Ca -0.02 0.05 -0.17 0.00 -0.87 0.00 0.00 58.31 57.31 1j1b n LYS 303 Cb 0.52 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 34.00 1j1b n LYS 303 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1j1b h VAL 304 N 0.00 1.28 -1.75 3.15 2.07 -1.35 -3.46 116.25 116.19 1j1b h VAL 304 Ca 0.00 -1.89 -0.47 0.00 0.82 0.00 0.00 66.70 65.17 1j1b h VAL 304 Cb 0.44 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 1j1b h VAL 304 CO 0.00 0.60 -0.38 -0.36 0.02 0.00 0.00 177.57 177.45 1j1b s PHE 305 N -3.86 2.94 0.83 1.57 0.40 -1.22 -5.05 117.98 113.59 1j1b s PHE 305 Ca -0.11 -0.31 -0.13 0.00 -0.60 0.00 0.00 56.93 55.79 1j1b s PHE 305 Cb 0.09 -1.97 0.09 0.00 0.51 0.00 0.00 43.02 41.74 1j1b s PHE 305 CO 0.90 0.02 1.17 2.89 0.70 0.00 0.00 175.22 180.89 1j1b n ARG 306 N -1.54 0.08 -0.33 0.44 1.85 -1.26 -4.91 116.66 110.99 1j1b n ARG 306 Ca 0.00 0.10 0.05 0.00 -1.00 0.00 0.00 57.85 57.01 1j1b n ARG 306 Cb 0.59 -2.41 0.24 0.00 -1.05 0.00 0.00 32.46 29.84 1j1b n ARG 306 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 177.63 176.27 1j1b h PRO 307 N -1.06 0.99 0.00 2.89 0.11 -1.98 -2.48 132.00 130.47 1j1b h PRO 307 Ca -0.46 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1j1b h PRO 307 Cb 1.30 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1j1b h PRO 307 CO 0.45 0.65 -0.03 0.00 -0.21 0.00 0.00 178.00 178.86 1j1b h ARG 308 N 1.02 0.00 -6.19 1.05 3.08 -2.00 -3.45 114.38 107.89 1j1b h ARG 308 Ca 0.44 0.00 -0.71 0.00 0.07 0.00 0.00 59.98 59.77 1j1b h ARG 308 Cb 0.33 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.40 1j1b h ARG 308 CO -0.19 0.03 0.83 2.41 -1.07 0.00 0.00 179.97 181.98 1j1b n THR 309 N -3.23 0.27 -1.68 2.04 -1.04 -0.94 -4.88 114.28 104.82 1j1b n THR 309 Ca -0.01 -0.05 -0.45 0.00 -2.04 0.00 0.00 64.05 61.50 1j1b n THR 309 Cb 0.20 -1.21 -0.04 0.00 -1.82 0.00 0.00 70.33 67.47 1j1b n THR 309 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1j1b n PRO 310 N 4.91 2.22 -0.06 -2.82 -0.02 -1.26 -4.88 135.00 133.10 1j1b n PRO 310 Ca 0.24 0.80 0.11 0.00 -2.02 0.00 0.00 63.50 62.64 1j1b n PRO 310 Cb 0.16 -2.55 0.50 0.00 -0.02 0.00 0.00 33.50 31.59 1j1b n PRO 310 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1j1b h PRO 311 N 5.54 0.38 -0.56 0.52 0.13 -1.96 -1.48 132.00 134.58 1j1b h PRO 311 Ca -0.45 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 1j1b h PRO 311 Cb 1.25 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1j1b h PRO 311 CO 0.86 0.25 0.10 0.93 -0.23 0.00 0.00 178.00 179.91 1j1b h GLU 312 N 0.40 0.88 -0.60 0.86 4.39 -1.97 0.03 114.58 118.57 1j1b h GLU 312 Ca 0.25 -0.20 -0.06 0.00 0.34 0.00 0.00 59.36 59.69 1j1b h GLU 312 Cb 0.47 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 1j1b h GLU 312 CO -0.07 0.81 0.13 0.00 -1.16 0.00 0.00 179.01 178.72 1j1b h ALA 313 N 1.27 0.79 -0.32 3.43 0.00 -1.65 -0.92 119.26 121.86 1j1b h ALA 313 Ca 0.18 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1j1b h ALA 313 Cb 0.36 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1j1b h ALA 313 CO 0.01 0.51 0.02 0.82 0.00 0.00 0.00 179.25 180.61 1j1b h ILE 314 N 0.87 1.25 -0.41 0.00 2.04 -1.20 -1.73 117.51 118.32 1j1b h ILE 314 Ca 0.18 -0.89 0.02 0.00 1.00 0.00 0.00 64.86 65.17 1j1b h ILE 314 Cb 0.38 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 1j1b h ILE 314 CO 0.01 0.29 0.24 0.00 0.00 0.00 0.00 178.15 178.69 1j1b h ALA 315 N 0.87 0.52 -0.41 1.87 0.00 -0.80 -1.27 119.26 120.02 1j1b h ALA 315 Ca 0.09 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1j1b h ALA 315 Cb 0.40 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1j1b h ALA 315 CO 0.01 -0.09 0.27 1.25 0.00 0.00 0.00 179.25 180.69 1j1b h LEU 316 N 0.49 0.46 -0.41 0.00 5.85 -1.10 -2.77 115.31 117.83 1j1b h LEU 316 Ca 0.16 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.95 1j1b h LEU 316 Cb 0.01 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 40.85 1j1b h LEU 316 CO -0.07 0.33 -0.02 0.00 -0.34 0.00 0.00 178.44 178.34 1j1b h SER 318 N 0.08 0.00 0.38 0.00 4.64 -1.00 -1.16 113.55 116.49 1j1b h SER 318 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1j1b h SER 318 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1j1b h SER 318 CO -0.36 0.00 -0.52 0.54 -0.87 0.00 0.00 176.83 175.62 1j1b n ARG 319 N -3.10 0.17 -0.12 4.77 5.12 -0.28 -4.23 116.66 118.99 1j1b n ARG 319 Ca -0.02 -0.11 -0.21 0.00 -1.93 0.00 0.00 57.85 55.59 1j1b n ARG 319 Cb 0.16 -1.50 -0.10 0.00 -1.16 0.00 0.00 32.46 29.86 1j1b n ARG 319 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1j1b n LEU 320 N -1.32 2.38 -4.02 0.55 4.77 -0.66 -2.06 117.00 116.64 1j1b n LEU 320 Ca 0.07 0.08 -0.43 0.00 -0.03 0.00 0.00 56.01 55.70 1j1b n LEU 320 Cb 0.34 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 1j1b n LEU 320 CO 0.34 0.71 1.94 0.18 -1.33 0.00 0.00 177.39 179.23 1j1b n LEU 321 N -3.62 6.26 -4.45 2.23 4.77 -0.53 -4.43 117.00 117.22 1j1b n LEU 321 Ca -0.45 -4.49 -0.32 0.00 -0.03 0.00 0.00 56.01 50.73 1j1b n LEU 321 Cb 0.89 -1.55 -0.13 0.00 -2.33 0.00 0.00 43.42 40.30 1j1b n LEU 321 CO 0.13 1.12 -0.48 -1.61 -1.33 0.00 0.00 177.39 175.23 1j1b s GLU 322 N 1.29 2.32 0.07 3.23 0.41 -1.26 -4.87 118.70 119.89 1j1b s GLU 322 Ca 0.42 -0.81 -0.28 0.00 -0.41 0.00 0.00 54.97 53.89 1j1b s GLU 322 Cb 0.07 -2.28 -0.17 0.00 -1.78 0.00 0.00 34.13 29.97 1j1b s GLU 322 CO -0.00 0.59 1.65 1.88 -0.49 0.00 0.00 175.26 178.88 1j1b h TYR 323 N 5.09 -0.45 -2.89 1.61 0.05 -1.96 -3.40 116.97 115.01 1j1b h TYR 323 Ca -0.46 -0.01 -0.57 0.00 0.05 0.00 0.00 58.73 57.74 1j1b h TYR 323 Cb 1.15 0.15 -0.03 0.00 1.01 0.00 0.00 36.73 39.00 1j1b h TYR 323 CO 0.50 -0.26 1.11 0.99 -1.05 0.00 0.00 178.16 179.45 1j1b s THR 324 N -6.01 3.77 0.25 -2.88 2.01 -1.26 -4.71 115.64 106.81 1j1b s THR 324 Ca -0.15 0.85 -0.06 0.00 0.31 0.00 0.00 61.69 62.64 1j1b s THR 324 Cb 0.04 -3.85 0.27 0.00 0.01 0.00 0.00 72.50 68.97 1j1b s THR 324 CO 0.63 -0.41 1.65 -0.65 -0.69 0.00 0.00 174.62 175.16 1j1b h PRO 325 N 10.76 0.14 0.00 4.92 0.11 -1.86 0.47 132.00 146.54 1j1b h PRO 325 Ca -0.31 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1j1b h PRO 325 Cb 1.14 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1j1b h PRO 325 CO 1.02 0.09 0.00 1.79 -0.21 0.00 0.00 178.00 180.70 1j1b h THR 326 N 0.15 0.00 0.00 -1.15 1.35 -1.95 -2.70 112.91 108.61 1j1b h THR 326 Ca 0.42 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 66.06 1j1b h THR 326 Cb 0.75 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 1j1b h THR 326 CO -0.62 0.00 -0.16 0.00 -0.25 0.00 0.00 175.52 174.49 1j1b h ALA 327 N 2.20 0.91 -2.56 6.62 0.00 -1.28 -3.46 119.26 121.69 1j1b h ALA 327 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 1j1b h ALA 327 Cb 0.33 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.17 1j1b h ALA 327 CO 0.00 0.00 0.44 1.03 0.00 0.00 0.00 179.25 180.72 1j1b s ARG 328 N -3.17 3.76 0.72 0.00 0.52 -1.02 -4.97 118.95 114.78 1j1b s ARG 328 Ca 0.08 1.61 -0.16 0.00 -0.52 0.00 0.00 55.73 56.73 1j1b s ARG 328 Cb 0.09 -2.28 0.03 0.00 0.52 0.00 0.00 34.95 33.31 1j1b s ARG 328 CO 0.66 -0.51 1.25 -0.51 0.02 0.00 0.00 175.30 176.20 1j1b s LEU 329 N -3.21 3.38 0.52 2.53 1.43 -0.87 -5.00 118.68 117.46 1j1b s LEU 329 Ca 0.65 2.48 -0.06 0.00 -1.03 0.00 0.00 54.13 56.17 1j1b s LEU 329 Cb -0.24 -4.60 -0.02 0.00 0.03 0.00 0.00 46.19 41.35 1j1b s LEU 329 CO 0.29 -2.27 0.84 0.42 0.23 0.00 0.00 176.35 175.86 1j1b s THR 330 N -1.76 4.56 0.26 5.49 -4.23 -1.26 -4.88 115.64 113.81 1j1b s THR 330 Ca 0.78 0.21 -0.02 0.00 -1.18 0.00 0.00 61.69 61.48 1j1b s THR 330 Cb -0.33 -3.76 0.25 0.00 1.34 0.00 0.00 72.50 70.00 1j1b s THR 330 CO 0.44 -0.78 1.84 -0.65 -0.54 0.00 0.00 174.62 174.93 1j1b h PRO 331 N 0.06 0.93 -0.76 3.99 0.11 -1.93 -0.93 132.00 133.46 1j1b h PRO 331 Ca -0.46 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 1j1b h PRO 331 Cb 1.22 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 1j1b h PRO 331 CO 0.61 0.61 0.29 1.25 -0.21 0.00 0.00 178.00 180.55 1j1b h LEU 332 N 0.95 1.07 -0.87 2.35 5.85 -1.94 -1.37 115.31 121.36 1j1b h LEU 332 Ca 0.44 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.91 1j1b h LEU 332 Cb 0.35 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1j1b h LEU 332 CO -0.23 0.97 0.13 -0.33 -0.34 0.00 0.00 178.44 178.64 1j1b h GLU 333 N 1.12 0.97 -0.38 1.25 5.08 -1.75 -2.47 114.58 118.40 1j1b h GLU 333 Ca 0.25 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1j1b h GLU 333 Cb 0.24 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1j1b h GLU 333 CO -0.02 0.87 0.23 0.00 -1.00 0.00 0.00 179.01 179.10 1j1b h ALA 334 N 1.22 0.48 -0.81 3.43 0.00 -0.66 -2.00 119.26 120.92 1j1b h ALA 334 Ca 0.19 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.18 1j1b h ALA 334 Cb 0.36 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1j1b h ALA 334 CO 0.00 -0.04 0.53 0.00 0.00 0.00 0.00 179.25 179.74 1j1b n ALA 336 N -2.46 2.63 -1.74 0.00 0.00 -0.80 -4.79 120.51 113.35 1j1b n ALA 336 Ca 0.14 -0.21 -0.37 0.00 0.00 0.00 0.00 53.44 53.00 1j1b n ALA 336 Cb 0.40 -1.43 0.05 0.00 0.00 0.00 0.00 19.45 18.47 1j1b n ALA 336 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1j1b s HIS 337 N -2.41 2.26 0.55 0.00 2.46 -0.28 -4.91 115.29 112.96 1j1b s HIS 337 Ca 0.33 1.46 0.25 0.00 0.47 0.00 0.00 55.06 57.57 1j1b s HIS 337 Cb 0.21 -3.66 1.48 0.00 -0.13 0.00 0.00 32.58 30.48 1j1b s HIS 337 CO 0.45 -2.67 2.06 0.77 -2.47 0.00 0.00 174.74 172.88 1j1b h SER 338 N 0.97 0.00 -0.20 9.88 0.02 -1.91 -1.33 113.55 120.98 1j1b h SER 338 Ca -0.51 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 60.50 1j1b h SER 338 Cb 1.31 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.84 1j1b h SER 338 CO 0.55 0.00 0.16 0.15 -1.14 0.00 0.00 176.83 176.55 1j1b h PHE 339 N 0.00 0.00 -0.56 3.45 3.57 -1.91 -0.80 116.94 120.69 1j1b h PHE 339 Ca 0.14 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1j1b h PHE 339 Cb 0.65 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.39 1j1b h PHE 339 CO 0.00 0.00 0.00 1.19 -2.23 0.00 0.00 178.31 177.27 1j1b n PHE 340 N -4.23 0.83 -0.14 0.41 3.72 -0.50 -4.46 117.46 113.09 1j1b n PHE 340 Ca 0.02 -0.40 0.04 0.00 -0.05 0.00 0.00 57.45 57.06 1j1b n PHE 340 Cb 0.30 -0.03 0.34 0.00 -0.94 0.00 0.00 39.48 39.15 1j1b n PHE 340 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1j1b h ASP 341 N 3.33 0.67 -0.34 4.37 3.32 -1.26 -2.01 116.42 124.50 1j1b h ASP 341 Ca 0.00 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1j1b h ASP 341 Cb 0.83 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 1j1b h ASP 341 CO 0.03 0.47 0.20 -0.08 -1.72 0.00 0.00 179.24 178.13 1j1b h GLU 342 N 0.78 0.51 0.00 3.56 4.81 -1.81 -1.17 114.58 121.26 1j1b h GLU 342 Ca 0.26 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 1j1b h GLU 342 Cb 0.06 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 1j1b h GLU 342 CO -0.07 0.38 -0.12 -0.07 -0.73 0.00 0.00 179.01 178.40 1j1b h LEU 343 N 0.51 0.00 -1.21 1.64 3.38 -1.69 -2.00 115.31 115.94 1j1b h LEU 343 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1j1b h LEU 343 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1j1b h LEU 343 CO -0.02 0.12 0.00 0.54 0.09 0.00 0.00 178.44 179.17 1j1b n ARG 344 N -3.62 1.80 -2.63 1.13 1.74 -0.45 -4.87 116.66 109.76 1j1b n ARG 344 Ca -0.02 -1.20 -0.42 0.00 -0.77 0.00 0.00 57.85 55.44 1j1b n ARG 344 Cb 0.25 -1.41 -0.03 0.00 -1.02 0.00 0.00 32.46 30.25 1j1b n ARG 344 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1j1b s ASP 345 N -1.58 7.25 0.63 0.55 -1.08 -0.75 -4.91 116.67 116.78 1j1b s ASP 345 Ca 0.33 1.68 0.35 0.00 -0.52 0.00 0.00 52.55 54.39 1j1b s ASP 345 Cb 0.18 -2.56 2.00 0.00 -1.46 0.00 0.00 42.92 41.07 1j1b s ASP 345 CO 0.27 -0.40 2.23 1.55 0.52 0.00 0.00 175.17 179.34 1j1b h PRO 346 N 7.00 0.00 -0.43 4.34 0.13 -1.89 -2.27 132.00 138.88 1j1b h PRO 346 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1j1b h PRO 346 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1j1b h PRO 346 CO 0.81 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.67 1j1b n ASN 347 N -3.45 3.48 -4.77 1.44 5.03 -1.26 -4.98 115.26 110.75 1j1b n ASN 347 Ca -0.02 -1.99 -0.40 0.00 0.87 0.00 0.00 54.58 53.04 1j1b n ASN 347 Cb 0.17 -0.28 0.00 0.00 -1.02 0.00 0.00 39.78 38.65 1j1b n ASN 347 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1j1b s VAL 348 N -1.45 2.33 0.06 2.41 0.11 -0.86 -5.02 120.40 117.98 1j1b s VAL 348 Ca 0.40 0.31 -0.05 0.00 -2.93 0.00 0.00 61.98 59.71 1j1b s VAL 348 Cb 0.23 -3.19 -0.02 0.00 -1.53 0.00 0.00 36.38 31.88 1j1b s VAL 348 CO 0.32 0.06 0.08 -0.54 -3.33 0.00 0.00 175.10 171.68 1j1b s LYS 349 N -2.20 0.66 0.48 1.54 -0.14 -1.26 -4.56 119.74 114.26 1j1b s LYS 349 Ca 0.56 -0.97 -0.19 0.00 -1.36 0.00 0.00 55.97 54.01 1j1b s LYS 349 Cb -0.42 0.25 -0.09 0.00 -1.68 0.00 0.00 37.83 35.89 1j1b s LYS 349 CO 0.55 -0.17 0.99 -0.51 -0.76 0.00 0.00 175.35 175.46 1j1b s LEU 350 N -2.59 3.80 0.59 3.17 1.43 0.25 -4.92 118.68 120.41 1j1b s LEU 350 Ca 0.02 1.74 0.29 0.00 -1.03 0.00 0.00 54.13 55.15 1j1b s LEU 350 Cb 0.03 -4.54 1.63 0.00 0.03 0.00 0.00 46.19 43.35 1j1b s LEU 350 CO -0.08 -0.60 2.05 -0.65 0.23 0.00 0.00 176.35 177.29 1j1b h PRO 351 N 1.44 0.00 -0.22 1.29 0.11 -2.00 0.16 132.00 132.79 1j1b h PRO 351 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1j1b h PRO 351 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1j1b h PRO 351 CO 0.60 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.66 1j1b n ASN 352 N -3.73 1.18 0.00 -2.05 2.04 -1.26 -4.89 115.26 106.55 1j1b n ASN 352 Ca 0.03 -2.00 0.00 0.00 -0.44 0.00 0.00 54.58 52.17 1j1b n ASN 352 Cb 0.40 -0.15 0.00 0.00 -2.53 0.00 0.00 39.78 37.50 1j1b n ASN 352 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1j1b n GLY 353 N 0.85 2.39 3.80 4.83 0.00 0.57 -5.04 105.19 112.59 1j1b n GLY 353 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1j1b n GLY 353 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j1b s ARG 354 N -0.45 2.14 0.64 1.61 0.52 -1.26 -4.72 118.95 117.43 1j1b s ARG 354 Ca 0.00 0.67 -0.11 0.00 -0.52 0.00 0.00 55.73 55.77 1j1b s ARG 354 Cb 0.00 -1.92 -0.03 0.00 0.52 0.00 0.00 34.95 33.52 1j1b s ARG 354 CO 0.00 -1.59 1.04 -0.51 0.02 0.00 0.00 175.30 174.26 1j1b s ASP 355 N -3.89 6.02 0.72 0.23 1.01 -1.26 -0.58 116.67 118.92 1j1b s ASP 355 Ca 0.61 1.46 -0.13 0.00 0.71 0.00 0.00 52.55 55.19 1j1b s ASP 355 Cb -0.14 -2.47 0.03 0.00 1.01 0.00 0.00 42.92 41.35 1j1b s ASP 355 CO 0.54 -1.01 1.12 0.42 0.21 0.00 0.00 175.17 176.45 1j1b s THR 356 N -3.15 3.06 0.37 -1.27 -4.23 -1.26 -4.66 115.64 104.49 1j1b s THR 356 Ca 0.56 0.43 -0.06 0.00 -1.18 0.00 0.00 61.69 61.44 1j1b s THR 356 Cb -0.12 -2.91 0.09 0.00 1.34 0.00 0.00 72.50 70.90 1j1b s THR 356 CO 0.54 -0.36 0.39 -0.81 -0.54 0.00 0.00 174.62 173.84 1j1b n PRO 357 N -2.95 -1.16 -1.86 3.99 -0.04 -1.26 -4.94 135.00 126.79 1j1b n PRO 357 Ca 0.10 -0.62 -0.42 0.00 -0.04 0.00 0.00 63.50 62.53 1j1b n PRO 357 Cb 0.52 -0.50 -0.03 0.00 -0.04 0.00 0.00 33.50 33.46 1j1b n PRO 357 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j1b s ALA 358 N -3.43 3.80 0.00 0.55 0.00 -1.26 -4.86 121.76 116.57 1j1b s ALA 358 Ca 0.24 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.66 1j1b s ALA 358 Cb -0.02 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1j1b s ALA 358 CO 0.18 -0.85 0.00 1.28 0.00 0.00 0.00 175.76 176.36 1j1b n LEU 359 N 3.44 0.00 0.00 0.00 4.77 -1.26 -4.92 117.00 119.03 1j1b n LEU 359 Ca 0.12 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1j1b n LEU 359 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1j1b n LEU 359 CO 0.62 0.00 0.45 0.49 -1.33 0.00 0.00 177.39 177.62 1j1b n PHE 360 N -0.14 0.00 -1.21 -1.77 3.01 -1.26 -4.84 117.46 111.25 1j1b n PHE 360 Ca 0.00 -0.40 -0.30 0.00 1.01 0.00 0.00 57.45 57.77 1j1b n PHE 360 Cb 0.00 -0.04 -0.08 0.00 -0.01 0.00 0.00 39.48 39.35 1j1b n PHE 360 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1j1b n ASN 361 N -0.40 7.57 -4.78 4.37 2.04 -1.26 -4.88 115.26 117.93 1j1b n ASN 361 Ca 0.00 -2.55 -0.36 0.00 -0.44 0.00 0.00 54.58 51.23 1j1b n ASN 361 Cb 0.22 -1.51 -0.01 0.00 -2.53 0.00 0.00 39.78 35.95 1j1b n ASN 361 CO 0.00 0.00 0.00 -0.36 -0.44 0.00 0.00 177.26 176.46 1j1b s PHE 362 N 1.73 2.84 0.36 -2.53 0.08 -1.26 -5.06 117.98 114.14 1j1b s PHE 362 Ca 0.69 1.55 0.08 0.00 0.12 0.00 0.00 56.93 59.37 1j1b s PHE 362 Cb 0.23 -3.29 -0.04 0.00 -0.57 0.00 0.00 43.02 39.34 1j1b s PHE 362 CO -0.04 -1.39 0.16 0.95 -0.10 0.00 0.00 175.22 174.80 1j1b s THR 363 N -1.68 2.86 0.20 0.64 -4.23 -1.26 -5.02 115.64 107.14 1j1b s THR 363 Ca 0.67 -1.69 -0.11 0.00 -1.18 0.00 0.00 61.69 59.39 1j1b s THR 363 Cb -0.25 -2.97 0.12 0.00 1.34 0.00 0.00 72.50 70.73 1j1b s THR 363 CO 0.30 -0.14 1.79 0.74 -0.54 0.00 0.00 174.62 176.77 1j1b h THR 364 N 1.51 0.95 -0.39 3.99 2.02 -1.97 -2.07 112.91 116.94 1j1b h THR 364 Ca -0.43 -0.20 0.05 0.00 0.77 0.00 0.00 66.41 66.60 1j1b h THR 364 Cb 1.25 0.31 -0.05 0.00 -1.74 0.00 0.00 68.15 67.92 1j1b h THR 364 CO 0.64 0.11 0.11 -0.61 0.37 0.00 0.00 175.52 176.14 1j1b h GLN 365 N 0.59 0.24 -0.21 6.66 5.75 -1.99 -0.26 115.11 125.88 1j1b h GLN 365 Ca 0.27 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.72 1j1b h GLN 365 Cb 0.18 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 1j1b h GLN 365 CO -0.18 0.16 -0.04 1.49 -2.65 0.00 0.00 178.83 177.61 1j1b h GLU 366 N 0.25 0.32 -0.01 1.69 4.81 -1.78 -2.68 114.58 117.18 1j1b h GLU 366 Ca 0.18 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1j1b h GLU 366 Cb 0.19 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1j1b h GLU 366 CO -0.21 0.38 -0.28 1.28 -0.73 0.00 0.00 179.01 179.44 1j1b n LEU 367 N -4.32 1.36 -0.21 1.64 4.77 -0.83 -4.54 117.00 114.86 1j1b n LEU 367 Ca 0.00 -0.42 0.30 0.00 -0.03 0.00 0.00 56.01 55.86 1j1b n LEU 367 Cb 0.22 -0.08 0.73 0.00 -2.33 0.00 0.00 43.42 41.96 1j1b n LEU 367 CO 0.37 0.25 1.28 0.77 -1.33 0.00 0.00 177.39 178.73 1j1b h SER 368 N 1.68 0.00 0.82 -1.43 4.64 -0.70 -0.20 113.55 118.36 1j1b h SER 368 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j1b h SER 368 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1j1b h SER 368 CO 0.00 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 1j1b n SER 369 N -4.22 0.61 -2.67 4.97 3.41 -1.26 -4.38 113.62 110.07 1j1b n SER 369 Ca 0.20 0.63 -0.04 0.00 -0.26 0.00 0.00 58.87 59.40 1j1b n SER 369 Cb 1.04 -0.77 0.07 0.00 -0.26 0.00 0.00 64.21 64.29 1j1b n SER 369 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1j1b n ASN 370 N -2.15 -1.38 -0.31 4.04 2.85 -0.19 -5.06 115.26 113.06 1j1b n ASN 370 Ca 0.03 -1.69 0.16 0.00 -0.11 0.00 0.00 54.58 52.97 1j1b n ASN 370 Cb 0.25 0.75 0.34 0.00 1.24 0.00 0.00 39.78 42.37 1j1b n ASN 370 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1j1b h PRO 371 N 3.36 0.27 0.00 1.20 0.11 -1.48 -1.79 132.00 133.66 1j1b h PRO 371 Ca -0.19 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1j1b h PRO 371 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1j1b h PRO 371 CO -0.16 0.18 0.34 -1.35 -0.21 0.00 0.00 178.00 176.80 1j1b h PRO 372 N 0.27 0.00 0.00 1.05 0.11 -1.97 -0.77 132.00 130.69 1j1b h PRO 372 Ca 0.60 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.71 1j1b h PRO 372 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1j1b h PRO 372 CO -0.62 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.45 1j1b n LEU 373 N -2.60 0.71 -0.02 2.35 4.77 -0.67 -2.86 117.00 118.67 1j1b n LEU 373 Ca -0.02 0.68 0.19 0.00 -0.03 0.00 0.00 56.01 56.83 1j1b n LEU 373 Cb 0.38 -0.58 0.66 0.00 -2.33 0.00 0.00 43.42 41.56 1j1b n LEU 373 CO 0.10 -0.58 1.19 0.00 -1.33 0.00 0.00 177.39 176.77 1j1b h ALA 374 N 2.25 2.44 0.00 -1.18 0.00 -1.35 0.20 119.26 121.62 1j1b h ALA 374 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1j1b h ALA 374 Cb 0.38 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1j1b h ALA 374 CO 0.00 -0.60 -0.05 1.15 0.00 0.00 0.00 179.25 179.75 1j1b h THR 375 N 0.06 0.97 0.03 0.00 2.02 -1.77 -0.78 112.91 113.44 1j1b h THR 375 Ca 0.27 -0.19 -0.38 0.00 0.77 0.00 0.00 66.41 66.88 1j1b h THR 375 Cb 0.98 1.10 -0.05 0.00 -1.74 0.00 0.00 68.15 68.44 1j1b h THR 375 CO -0.02 0.05 -2.18 -0.38 0.37 0.00 0.00 175.52 173.36 1j1b n ILE 376 N -4.37 1.58 0.03 3.11 5.41 0.46 -4.57 119.36 121.01 1j1b n ILE 376 Ca -0.03 -0.45 0.01 0.00 1.00 0.00 0.00 62.75 63.28 1j1b n ILE 376 Cb 0.14 -1.72 0.33 0.00 -0.71 0.00 0.00 39.64 37.68 1j1b n ILE 376 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1j1b h LEU 377 N -0.41 0.42 -7.83 1.39 3.38 -0.76 -3.36 115.31 108.13 1j1b h LEU 377 Ca -0.54 -0.08 -0.71 0.00 0.09 0.00 0.00 57.88 56.65 1j1b h LEU 377 Cb 1.76 -0.11 -0.33 0.00 0.09 0.00 0.00 40.66 42.07 1j1b h LEU 377 CO -0.16 0.50 -0.46 -0.63 0.09 0.00 0.00 178.44 177.79 1j1b s ILE 378 N -4.93 3.70 0.86 1.22 1.01 -0.31 -4.82 121.20 117.92 1j1b s ILE 378 Ca -0.07 -2.12 -0.11 0.00 0.00 0.00 0.00 60.65 58.35 1j1b s ILE 378 Cb 0.16 -3.48 0.11 0.00 0.01 0.00 0.00 42.46 39.26 1j1b s ILE 378 CO 0.75 -0.76 1.14 -2.16 0.00 0.00 0.00 174.94 173.92 1j1b s PRO 379 N 1.00 1.47 0.30 2.79 0.04 -1.26 -4.79 135.00 134.55 1j1b s PRO 379 Ca 0.09 1.47 0.05 0.00 0.04 0.00 0.00 61.00 62.65 1j1b s PRO 379 Cb -0.23 -1.79 0.78 0.00 0.04 0.00 0.00 34.50 33.30 1j1b s PRO 379 CO -0.03 -2.28 1.67 -1.35 0.04 0.00 0.00 177.00 175.05 1j1b h PRO 380 N -1.50 0.28 0.00 0.56 0.11 -1.92 -1.76 132.00 127.77 1j1b h PRO 380 Ca -0.44 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1j1b h PRO 380 Cb 1.26 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1j1b h PRO 380 CO 0.45 0.19 -0.07 1.12 -0.21 0.00 0.00 178.00 179.48 1j1b h HIS 381 N 0.29 0.00 -3.86 0.65 2.07 -1.94 -3.46 115.15 108.91 1j1b h HIS 381 Ca 0.59 0.00 -0.51 0.00 -2.85 0.00 0.00 60.37 57.60 1j1b h HIS 381 Cb 1.19 0.00 0.03 0.00 2.57 0.00 0.00 27.41 31.21 1j1b h HIS 381 CO -0.18 0.07 0.51 0.00 -3.07 0.00 0.00 177.93 175.26 1j1b s ALA 382 N -3.26 3.36 -1.38 6.11 0.00 -0.66 -3.84 121.76 122.09 1j1b s ALA 382 Ca 0.06 0.97 0.00 0.00 0.00 0.00 0.00 51.96 52.99 1j1b s ALA 382 Cb 0.06 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1j1b s ALA 382 CO 0.66 -0.33 0.00 0.54 0.00 0.00 0.00 175.76 176.63 1j1b n ARG 383 N 0.81 -1.79 -2.23 0.00 1.74 -1.26 -4.87 116.66 109.05 1j1b n ARG 383 Ca 0.01 0.78 -0.43 0.00 -0.77 0.00 0.00 57.85 57.43 1j1b n ARG 383 Cb 0.45 -5.27 -0.02 0.00 -1.02 0.00 0.00 32.46 26.59 1j1b n ARG 383 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1j1b s ILE 384 N -2.56 3.86 -0.13 0.55 -1.09 -1.25 -4.96 121.20 115.62 1j1b s ILE 384 Ca 0.00 0.98 -0.05 0.00 -2.23 0.00 0.00 60.65 59.35 1j1b s ILE 384 Cb 0.00 -3.87 0.06 0.00 -1.58 0.00 0.00 42.46 37.07 1j1b s ILE 384 CO 0.00 -0.35 0.27 0.00 -1.23 0.00 0.00 174.94 173.62 1j1b s GLN 385 N 4.46 0.15 0.71 2.79 -2.07 -1.26 -5.16 119.66 119.28 1j1b s GLN 385 Ca 0.66 0.75 -0.06 0.00 -1.82 0.00 0.00 55.36 54.89 1j1b s GLN 385 Cb -0.22 -0.03 0.08 0.00 -1.09 0.00 0.00 33.01 31.75 1j1b s GLN 385 CO 0.27 -0.28 1.00 0.00 -1.32 0.00 0.00 175.29 174.96 1j1b s ALA 386 N 2.38 3.26 -0.28 2.60 0.00 -1.26 -5.00 121.76 123.46 1j1b s ALA 386 Ca 0.01 -1.12 0.12 0.00 0.00 0.00 0.00 51.96 50.97 1j1b s ALA 386 Cb -0.12 -2.46 0.80 0.00 0.00 0.00 0.00 23.12 21.34 1j1b s ALA 386 CO -0.09 -1.34 1.79 0.00 0.00 0.00 0.00 175.76 176.12 1j1b n ALA 387 N -2.90 4.21 -0.44 0.00 0.00 -1.26 -5.33 120.51 114.79 1j1b n ALA 387 Ca 0.10 -2.10 0.00 0.00 0.00 0.00 0.00 53.44 51.43 1j1b n ALA 387 Cb 0.60 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1j1b n ALA 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50