#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j4b h ALA 27 N 0.00 0.79 0.09 0.00 0.00 -2.04 -3.18 119.26 114.93 1j4b h ALA 27 Ca 0.00 -0.24 -0.31 0.00 0.00 0.00 0.00 54.91 54.36 1j4b h ALA 27 Cb 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1j4b h ALA 27 CO 0.00 0.30 -1.69 0.00 0.00 0.00 0.00 179.25 177.87 1j4b h ALA 28 N 1.77 0.33 -0.51 0.00 0.00 -2.02 -3.37 119.26 115.45 1j4b h ALA 28 Ca -0.01 -1.28 0.08 0.00 0.00 0.00 0.00 54.91 53.69 1j4b h ALA 28 Cb 1.19 0.67 -0.06 0.00 0.00 0.00 0.00 17.79 19.59 1j4b h ALA 28 CO 0.03 1.05 0.15 1.15 0.00 0.00 0.00 179.25 181.63 1j4b h THR 29 N -0.29 0.77 0.00 0.00 2.02 -1.96 -3.49 112.91 109.96 1j4b h THR 29 Ca -0.38 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1j4b h THR 29 Cb 1.79 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 1j4b h THR 29 CO 0.00 0.06 0.00 0.61 0.37 0.00 0.00 175.52 176.56 1j4b n GLY 30 N -1.28 -0.75 3.82 2.16 0.00 -1.20 -4.86 105.19 103.09 1j4b n GLY 30 Ca 0.06 -1.93 -0.35 0.00 0.00 0.00 0.00 46.02 43.80 1j4b n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j4b s SER 31 N -4.00 6.98 -0.24 1.61 0.01 0.11 -4.57 113.70 113.60 1j4b s SER 31 Ca 0.00 1.39 -0.06 0.00 1.31 0.00 0.00 55.95 58.59 1j4b s SER 31 Cb 0.00 -2.41 -0.02 0.00 0.21 0.00 0.00 66.02 63.79 1j4b s SER 31 CO 0.00 -0.05 0.04 -0.13 0.41 0.00 0.00 173.24 173.51 1j4b s ARG 32 N -2.31 3.59 0.78 12.44 0.52 -1.26 -4.73 118.95 127.98 1j4b s ARG 32 Ca 0.47 -0.51 -0.14 0.00 -0.52 0.00 0.00 55.73 55.03 1j4b s ARG 32 Cb -0.15 -3.25 0.07 0.00 0.52 0.00 0.00 34.95 32.14 1j4b s ARG 32 CO 0.20 -0.19 1.22 0.54 0.02 0.00 0.00 175.30 177.09 1j4b s VAL 33 N 1.57 2.05 -0.12 3.52 0.11 0.14 -4.26 120.40 123.42 1j4b s VAL 33 Ca 0.06 0.02 -0.00 0.00 -2.93 0.00 0.00 61.98 59.13 1j4b s VAL 33 Cb -0.15 -2.51 -0.02 0.00 -1.53 0.00 0.00 36.38 32.17 1j4b s VAL 33 CO 0.02 -0.01 -0.10 -0.89 -3.33 0.00 0.00 175.10 170.78 1j4b s THR 34 N -2.04 3.34 0.12 5.04 2.01 0.31 -0.77 115.64 123.65 1j4b s THR 34 Ca 0.74 -0.57 0.10 0.00 0.31 0.00 0.00 61.69 62.27 1j4b s THR 34 Cb -0.30 -2.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 1j4b s THR 34 CO 0.49 0.54 -0.25 -0.69 -0.69 0.00 0.00 174.62 174.01 1j4b s VAL 35 N 0.04 2.09 -0.11 3.82 1.01 0.36 0.07 120.40 127.68 1j4b s VAL 35 Ca -0.03 -1.68 0.01 0.00 0.00 0.00 0.00 61.98 60.29 1j4b s VAL 35 Cb -0.14 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.40 1j4b s VAL 35 CO 0.04 0.06 -0.14 -0.69 0.00 0.00 0.00 175.10 174.36 1j4b s VAL 36 N -1.07 1.44 0.03 2.92 1.01 -0.80 -1.03 120.40 122.90 1j4b s VAL 36 Ca 0.12 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1j4b s VAL 36 Cb -0.10 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 1j4b s VAL 36 CO 0.05 0.43 -0.07 -0.76 0.00 0.00 0.00 175.10 174.75 1j4b s LEU 37 N 1.09 2.21 0.17 3.92 1.43 -0.70 -0.41 118.68 126.39 1j4b s LEU 37 Ca -0.05 -0.47 -0.30 0.00 -1.03 0.00 0.00 54.13 52.28 1j4b s LEU 37 Cb -0.14 -0.18 -0.07 0.00 0.03 0.00 0.00 46.19 45.83 1j4b s LEU 37 CO -0.03 -0.16 1.01 -0.83 0.23 0.00 0.00 176.35 176.57 1j4b s GLY 38 N -1.33 2.98 0.03 -3.19 0.00 -1.23 -0.50 107.32 104.07 1j4b s GLY 38 Ca -0.08 0.68 0.22 0.00 0.00 0.00 0.00 44.72 45.54 1j4b s GLY 38 CO 0.00 1.47 0.92 0.00 0.00 0.00 0.00 173.10 175.49 1j4b n ALA 39 N 2.32 3.61 -2.88 3.20 0.00 -0.33 -1.01 120.51 125.42 1j4b n ALA 39 Ca 0.01 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1j4b n ALA 39 Cb 0.48 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1j4b n ALA 39 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1j4b n GLN 40 N -1.90 0.00 -0.85 0.00 6.02 -1.26 -4.52 117.38 114.87 1j4b n GLN 40 Ca 0.02 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.02 1j4b n GLN 40 Cb 0.43 0.00 0.32 0.00 1.02 0.00 0.00 30.24 32.01 1j4b n GLN 40 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1j4b n TRP 41 N 0.00 1.94 -0.06 1.08 8.01 -1.26 -2.22 117.44 124.93 1j4b n TRP 41 Ca 0.00 -1.02 0.00 0.00 -1.31 0.00 0.00 57.50 55.17 1j4b n TRP 41 Cb 0.00 -0.55 0.00 0.00 -2.01 0.00 0.00 31.31 28.75 1j4b n TRP 41 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1j4b n GLY 42 N -0.07 -3.77 2.27 6.99 0.00 -1.26 -4.82 105.19 104.53 1j4b n GLY 42 Ca 0.32 -1.98 -0.16 0.00 0.00 0.00 0.00 46.02 44.21 1j4b n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j4b n ASP 43 N -0.21 -4.28 0.16 1.61 8.00 -1.26 -4.81 116.55 115.76 1j4b n ASP 43 Ca 0.00 0.30 0.13 0.00 0.71 0.00 0.00 54.79 55.93 1j4b n ASP 43 Cb 0.00 -3.80 0.46 0.00 -0.02 0.00 0.00 41.12 37.76 1j4b n ASP 43 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1j4b h GLU 44 N 0.00 0.00 -0.22 -1.24 3.07 -1.93 -3.47 114.58 110.79 1j4b h GLU 44 Ca -0.33 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.53 1j4b h GLU 44 Cb 1.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 1j4b h GLU 44 CO 0.46 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.48 1j4b n GLY 45 N 0.55 1.13 0.00 -3.84 0.00 -1.26 -4.56 105.19 97.21 1j4b n GLY 45 Ca 0.03 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.80 1j4b n GLY 45 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1j4b n LYS 46 N -0.60 0.10 0.22 1.61 2.85 -1.26 -2.63 118.16 118.46 1j4b n LYS 46 Ca 0.00 0.17 0.10 0.00 -1.05 0.00 0.00 58.31 57.53 1j4b n LYS 46 Cb 0.22 -1.50 0.40 0.00 -0.65 0.00 0.00 35.03 33.50 1j4b n LYS 46 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1j4b h GLY 47 N 2.91 0.00 2.00 2.58 0.00 -1.98 -1.63 103.07 106.95 1j4b h GLY 47 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1j4b h GLY 47 CO 0.00 0.00 -0.18 0.50 0.00 0.00 0.00 176.54 176.86 1j4b h LYS 48 N 0.00 0.00 0.01 4.80 1.57 -1.92 0.24 116.57 121.27 1j4b h LYS 48 Ca -0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1j4b h LYS 48 Cb 0.83 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 1j4b h LYS 48 CO 0.03 0.18 -0.49 0.28 -0.57 0.00 0.00 179.45 178.88 1j4b h VAL 49 N 0.00 1.47 -0.29 0.50 2.07 -1.61 -2.34 116.25 116.05 1j4b h VAL 49 Ca -0.00 -2.30 0.06 0.00 0.82 0.00 0.00 66.70 65.27 1j4b h VAL 49 Cb 0.97 2.98 -0.05 0.00 -1.52 0.00 0.00 31.29 33.67 1j4b h VAL 49 CO 0.02 0.52 -0.06 0.58 0.02 0.00 0.00 177.57 178.65 1j4b h VAL 50 N -0.95 0.72 -0.65 2.57 2.07 -1.27 0.85 116.25 119.59 1j4b h VAL 50 Ca -0.13 -0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.44 1j4b h VAL 50 Cb 1.15 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 1j4b h VAL 50 CO -0.06 0.00 0.37 0.44 0.02 0.00 0.00 177.57 178.34 1j4b h ASP 51 N 0.01 0.56 -0.69 0.57 3.45 -0.64 0.34 116.42 120.03 1j4b h ASP 51 Ca 0.14 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.63 1j4b h ASP 51 Cb 0.21 -0.09 -0.03 0.00 -0.56 0.00 0.00 39.33 38.85 1j4b h ASP 51 CO -0.29 0.37 0.44 0.25 -1.57 0.00 0.00 179.24 178.45 1j4b h LEU 52 N 0.70 0.80 0.00 1.55 5.85 -0.71 -3.16 115.31 120.34 1j4b h LEU 52 Ca 0.28 -0.03 -0.16 0.00 0.84 0.00 0.00 57.88 58.81 1j4b h LEU 52 Cb 0.14 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1j4b h LEU 52 CO -0.16 0.59 -0.82 -0.07 -0.34 0.00 0.00 178.44 177.65 1j4b h LEU 53 N 0.93 0.00 -1.38 2.25 3.38 -0.26 -3.32 115.31 116.91 1j4b h LEU 53 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1j4b h LEU 53 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1j4b h LEU 53 CO -0.05 0.74 0.00 0.00 0.09 0.00 0.00 178.44 179.22 1j4b h ALA 54 N 1.26 1.00 0.34 1.53 0.00 -0.31 -3.26 119.26 119.82 1j4b h ALA 54 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1j4b h ALA 54 Cb 1.59 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1j4b h ALA 54 CO 0.09 0.00 -0.43 1.15 0.00 0.00 0.00 179.25 180.06 1j4b h THR 55 N 0.00 0.00 -0.99 0.00 2.02 -1.67 -3.09 112.91 109.18 1j4b h THR 55 Ca 0.00 0.00 -0.55 0.00 0.77 0.00 0.00 66.41 66.63 1j4b h THR 55 Cb 0.14 0.00 -0.30 0.00 -1.74 0.00 0.00 68.15 66.25 1j4b h THR 55 CO 0.00 0.00 0.70 -0.90 0.37 0.00 0.00 175.52 175.69 1j4b n ASP 56 N -4.98 4.61 -4.86 4.18 3.85 -1.23 -4.97 116.55 113.14 1j4b n ASP 56 Ca -0.09 -3.65 -0.37 0.00 -0.71 0.00 0.00 54.79 49.97 1j4b n ASP 56 Cb 0.38 -0.87 -0.06 0.00 -1.35 0.00 0.00 41.12 39.22 1j4b n ASP 56 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1j4b s ALA 57 N -3.42 3.77 0.01 2.12 0.00 -1.17 -4.87 121.76 118.20 1j4b s ALA 57 Ca 0.59 -0.40 -0.09 0.00 0.00 0.00 0.00 51.96 52.06 1j4b s ALA 57 Cb 0.49 -2.22 -0.31 0.00 0.00 0.00 0.00 23.12 21.08 1j4b s ALA 57 CO 0.08 0.55 0.88 -0.44 0.00 0.00 0.00 175.76 176.83 1j4b h ASP 58 N 4.57 0.58 -3.59 0.00 3.32 -1.08 -3.41 116.42 116.81 1j4b h ASP 58 Ca -0.52 -0.74 -0.38 0.00 0.02 0.00 0.00 57.03 55.41 1j4b h ASP 58 Cb 1.22 -0.19 -0.33 0.00 0.22 0.00 0.00 39.33 40.25 1j4b h ASP 58 CO 0.62 1.60 -0.77 -0.63 -1.72 0.00 0.00 179.24 178.34 1j4b s ILE 59 N -2.61 0.47 -0.05 0.35 1.01 -0.96 -0.34 121.20 119.07 1j4b s ILE 59 Ca -0.10 -0.13 0.06 0.00 0.00 0.00 0.00 60.65 60.48 1j4b s ILE 59 Cb 0.06 -0.48 -0.01 0.00 0.01 0.00 0.00 42.46 42.04 1j4b s ILE 59 CO 0.88 0.19 -0.22 -0.69 0.00 0.00 0.00 174.94 175.10 1j4b s VAL 60 N 0.65 1.84 0.33 2.92 1.01 -0.03 -0.32 120.40 126.82 1j4b s VAL 60 Ca -0.08 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 60.89 1j4b s VAL 60 Cb -0.11 -1.57 0.01 0.00 0.00 0.00 0.00 36.38 34.71 1j4b s VAL 60 CO -0.00 0.52 0.51 -0.94 0.00 0.00 0.00 175.10 175.19 1j4b s SER 61 N -0.10 0.65 0.01 3.32 1.04 -0.25 -0.80 113.70 117.58 1j4b s SER 61 Ca -0.04 -1.37 0.04 0.00 0.48 0.00 0.00 55.95 55.07 1j4b s SER 61 Cb -0.13 0.68 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 1j4b s SER 61 CO 0.03 -1.33 -0.12 -0.13 0.98 0.00 0.00 173.24 172.68 1j4b s ARG 62 N -3.09 0.88 -0.00 4.02 0.52 -0.87 -0.62 118.95 119.79 1j4b s ARG 62 Ca 0.27 -0.56 0.01 0.00 -0.52 0.00 0.00 55.73 54.93 1j4b s ARG 62 Cb -0.01 -0.85 -0.02 0.00 0.52 0.00 0.00 34.95 34.59 1j4b s ARG 62 CO 0.17 0.22 0.04 0.00 0.02 0.00 0.00 175.30 175.75 1j4b s GLN 64 N -1.86 0.36 -0.00 0.00 -1.52 -1.26 -3.20 119.66 112.18 1j4b s GLN 64 Ca -0.00 -0.29 -0.14 0.00 -1.95 0.00 0.00 55.36 52.98 1j4b s GLN 64 Cb 0.01 0.15 -0.08 0.00 -0.22 0.00 0.00 33.01 32.87 1j4b s GLN 64 CO 0.06 -0.08 0.82 0.78 -0.25 0.00 0.00 175.29 176.62 1j4b h GLY 65 N 4.79 -0.54 0.00 3.09 0.00 -1.91 -3.41 103.07 105.09 1j4b h GLY 65 Ca -0.29 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1j4b h GLY 65 CO 0.41 -0.20 0.00 0.61 0.00 0.00 0.00 176.54 177.37 1j4b n GLY 66 N -0.11 0.71 0.40 4.60 0.00 -1.26 -3.64 105.19 105.89 1j4b n GLY 66 Ca -0.06 -1.15 0.11 0.00 0.00 0.00 0.00 46.02 44.92 1j4b n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1j4b n ASN 67 N 2.69 1.70 -0.81 1.61 5.15 -1.26 -4.55 115.26 119.79 1j4b n ASN 67 Ca 0.00 -1.31 -0.11 0.00 -0.60 0.00 0.00 54.58 52.56 1j4b n ASN 67 Cb 0.00 0.43 -0.05 0.00 -0.53 0.00 0.00 39.78 39.63 1j4b n ASN 67 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1j4b n ASN 68 N -0.29 -4.65 -4.27 1.20 5.15 -1.24 -4.97 115.26 106.19 1j4b n ASN 68 Ca 0.10 0.26 -0.34 0.00 -0.60 0.00 0.00 54.58 54.00 1j4b n ASN 68 Cb 0.43 -3.08 0.10 0.00 -0.53 0.00 0.00 39.78 36.70 1j4b n ASN 68 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1j4b n ALA 69 N 1.20 -3.75 -2.60 5.20 0.00 -1.26 -4.75 120.51 114.54 1j4b n ALA 69 Ca -0.11 -0.77 -0.22 0.00 0.00 0.00 0.00 53.44 52.35 1j4b n ALA 69 Cb 0.41 -1.53 -0.04 0.00 0.00 0.00 0.00 19.45 18.29 1j4b n ALA 69 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1j4b s GLY 70 N -1.68 1.67 -0.03 0.00 0.00 -1.26 -4.52 107.32 101.51 1j4b s GLY 70 Ca 0.51 -1.59 0.01 0.00 0.00 0.00 0.00 44.72 43.65 1j4b s GLY 70 CO 0.71 -1.55 -0.02 -1.58 0.00 0.00 0.00 173.10 170.66 1j4b s HIS 71 N -2.26 0.41 -0.24 1.90 5.04 0.79 -4.96 115.29 115.98 1j4b s HIS 71 Ca 0.38 -0.06 -0.09 0.00 -1.54 0.00 0.00 55.06 53.75 1j4b s HIS 71 Cb -0.06 -0.42 -0.04 0.00 0.04 0.00 0.00 32.58 32.09 1j4b s HIS 71 CO 0.26 -0.11 0.12 0.99 -2.34 0.00 0.00 174.74 173.65 1j4b s THR 72 N 0.75 4.91 -0.07 0.89 2.01 -1.26 -1.10 115.64 121.77 1j4b s THR 72 Ca -0.08 0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.00 1j4b s THR 72 Cb -0.11 -3.29 -0.01 0.00 0.01 0.00 0.00 72.50 69.10 1j4b s THR 72 CO -0.01 0.35 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.34 1j4b s VAL 73 N 1.22 2.15 -0.13 3.82 1.01 -0.98 -4.97 120.40 122.51 1j4b s VAL 73 Ca 0.06 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1j4b s VAL 73 Cb -0.14 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 1j4b s VAL 73 CO 0.05 0.57 -0.14 0.68 0.00 0.00 0.00 175.10 176.25 1j4b s VAL 74 N -0.06 2.92 -0.08 2.92 -7.23 -1.26 -0.94 120.40 116.68 1j4b s VAL 74 Ca -0.07 -0.70 -0.03 0.00 -1.81 0.00 0.00 61.98 59.38 1j4b s VAL 74 Cb -0.15 -2.22 0.04 0.00 0.56 0.00 0.00 36.38 34.61 1j4b s VAL 74 CO 0.05 0.52 0.05 -0.69 -0.31 0.00 0.00 175.10 174.72 1j4b s VAL 75 N 0.43 0.03 -1.11 1.32 1.01 -0.39 -4.91 120.40 116.78 1j4b s VAL 75 Ca -0.11 0.20 -0.07 0.00 0.00 0.00 0.00 61.98 62.00 1j4b s VAL 75 Cb -0.16 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 1j4b s VAL 75 CO 0.05 0.08 0.89 0.47 0.00 0.00 0.00 175.10 176.60 1j4b n ASP 76 N 5.25 -5.29 0.00 3.32 8.00 -1.26 -2.32 116.55 124.25 1j4b n ASP 76 Ca -0.05 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.69 1j4b n ASP 76 Cb 0.50 -4.79 0.00 0.00 -0.02 0.00 0.00 41.12 36.81 1j4b n ASP 76 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j4b n GLY 77 N -1.32 1.39 3.76 0.44 0.00 -1.26 -4.93 105.19 103.26 1j4b n GLY 77 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 1j4b n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j4b s LYS 78 N 0.00 4.71 -0.18 1.61 1.02 -0.98 -5.05 119.74 120.86 1j4b s LYS 78 Ca 0.00 1.34 -0.01 0.00 0.02 0.00 0.00 55.97 57.32 1j4b s LYS 78 Cb 0.00 -3.29 0.00 0.00 -0.52 0.00 0.00 37.83 34.02 1j4b s LYS 78 CO 0.00 0.47 -0.13 -2.00 -0.92 0.00 0.00 175.35 172.78 1j4b s GLU 79 N -0.90 3.21 0.10 1.68 2.12 -1.26 -1.26 118.70 122.39 1j4b s GLU 79 Ca 0.40 -0.73 0.02 0.00 0.36 0.00 0.00 54.97 55.02 1j4b s GLU 79 Cb -0.24 -2.74 -0.04 0.00 0.26 0.00 0.00 34.13 31.37 1j4b s GLU 79 CO 0.29 -0.12 0.19 0.71 -0.54 0.00 0.00 175.26 175.79 1j4b s TYR 80 N 1.17 3.40 -0.23 5.30 2.02 -0.11 -4.99 117.35 123.90 1j4b s TYR 80 Ca 0.01 0.15 0.00 0.00 -0.37 0.00 0.00 57.07 56.87 1j4b s TYR 80 Cb -0.14 -1.68 0.06 0.00 -0.40 0.00 0.00 41.96 39.80 1j4b s TYR 80 CO -0.05 0.55 -0.03 0.34 -1.57 0.00 0.00 175.55 174.79 1j4b s ASP 81 N -2.71 3.69 -0.08 2.29 2.15 -1.26 -2.32 116.67 118.43 1j4b s ASP 81 Ca 0.33 -1.13 -0.00 0.00 0.43 0.00 0.00 52.55 52.18 1j4b s ASP 81 Cb -0.12 -1.07 -0.03 0.00 -0.30 0.00 0.00 42.92 41.40 1j4b s ASP 81 CO 0.26 -0.25 -0.04 -0.36 -0.17 0.00 0.00 175.17 174.61 1j4b s PHE 82 N 1.48 3.03 0.14 -5.34 0.08 -0.26 -4.93 117.98 112.18 1j4b s PHE 82 Ca -0.05 0.08 0.00 0.00 0.12 0.00 0.00 56.93 57.09 1j4b s PHE 82 Cb -0.19 -1.75 0.00 0.00 -0.57 0.00 0.00 43.02 40.51 1j4b s PHE 82 CO -0.07 0.38 0.00 0.72 -0.10 0.00 0.00 175.22 176.15 1j4b n HIS 83 N 2.23 -0.75 -0.09 0.36 8.25 -1.26 -0.15 115.22 123.82 1j4b n HIS 83 Ca -0.18 0.13 -0.20 0.00 -0.26 0.00 0.00 57.72 57.21 1j4b n HIS 83 Cb 0.53 0.19 -0.12 0.00 1.12 0.00 0.00 29.99 31.71 1j4b n HIS 83 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1j4b n LEU 84 N -3.40 2.75 -4.77 2.41 7.94 -1.26 -4.73 117.00 115.95 1j4b n LEU 84 Ca 0.00 0.03 -0.40 0.00 -1.11 0.00 0.00 56.01 54.53 1j4b n LEU 84 Cb 0.05 -0.97 -0.02 0.00 0.53 0.00 0.00 43.42 43.00 1j4b n LEU 84 CO 0.00 0.86 0.91 -0.76 -1.11 0.00 0.00 177.39 177.29 1j4b s LEU 85 N -6.81 4.36 0.38 -1.96 1.43 -1.26 -4.96 118.68 109.85 1j4b s LEU 85 Ca -0.31 2.53 -0.27 0.00 -1.03 0.00 0.00 54.13 55.04 1j4b s LEU 85 Cb 0.09 -3.77 -0.10 0.00 0.03 0.00 0.00 46.19 42.44 1j4b s LEU 85 CO 0.65 -0.54 1.37 -2.84 0.23 0.00 0.00 176.35 175.21 1j4b s PRO 86 N -1.92 4.10 0.51 1.29 0.02 -1.26 -4.88 135.00 132.85 1j4b s PRO 86 Ca 0.51 2.32 0.34 0.00 0.02 0.00 0.00 61.00 64.19 1j4b s PRO 86 Cb -0.36 -2.90 1.60 0.00 0.02 0.00 0.00 34.50 32.86 1j4b s PRO 86 CO 0.47 -0.44 2.01 0.77 -0.33 0.00 0.00 177.00 179.48 1j4b h SER 87 N 2.95 0.00 0.00 2.53 0.02 -1.93 -2.33 113.55 114.79 1j4b h SER 87 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1j4b h SER 87 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1j4b h SER 87 CO 0.64 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.94 1j4b n GLY 88 N -0.48 -0.89 0.00 -3.77 0.00 -1.26 -3.42 105.19 95.36 1j4b n GLY 88 Ca -0.00 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.04 1j4b n GLY 88 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1j4b n ILE 89 N -0.74 0.01 0.04 -0.61 3.06 -0.88 -1.90 119.36 118.34 1j4b n ILE 89 Ca 0.10 0.00 -0.15 0.00 -2.50 0.00 0.00 62.75 60.20 1j4b n ILE 89 Cb 0.05 -0.67 -0.04 0.00 0.54 0.00 0.00 39.64 39.51 1j4b n ILE 89 CO 0.00 0.00 0.00 0.40 -2.50 0.00 0.00 176.55 174.45 1j4b h ILE 90 N 0.00 1.34 -2.76 9.51 1.08 -1.83 -3.41 117.51 121.44 1j4b h ILE 90 Ca 0.00 -2.22 -0.55 0.00 -0.39 0.00 0.00 64.86 61.70 1j4b h ILE 90 Cb 0.00 2.23 -0.04 0.00 -3.07 0.00 0.00 36.82 35.94 1j4b h ILE 90 CO 0.00 0.68 1.19 0.21 -0.69 0.00 0.00 178.15 179.54 1j4b s ASN 91 N -7.10 5.96 0.00 1.72 3.84 -0.80 -4.84 114.94 113.72 1j4b s ASN 91 Ca -0.08 0.78 0.28 0.00 0.21 0.00 0.00 52.86 54.06 1j4b s ASN 91 Cb 0.09 -2.53 1.42 0.00 -0.55 0.00 0.00 41.25 39.67 1j4b s ASN 91 CO 0.88 -1.75 1.96 0.35 -2.79 0.00 0.00 177.10 175.75 1j4b n THR 92 N 7.17 0.09 -0.19 -5.21 -2.24 -1.26 -2.64 114.28 109.99 1j4b n THR 92 Ca 0.18 0.02 0.11 0.00 -2.27 0.00 0.00 64.05 62.10 1j4b n THR 92 Cb 0.49 -0.56 0.28 0.00 -2.10 0.00 0.00 70.33 68.43 1j4b n THR 92 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1j4b n LYS 93 N -1.27 2.67 -4.61 -0.78 4.01 -1.26 -4.95 118.16 111.97 1j4b n LYS 93 Ca 0.14 -2.51 -0.28 0.00 -0.51 0.00 0.00 58.31 55.15 1j4b n LYS 93 Cb 0.22 -1.52 -0.09 0.00 -0.51 0.00 0.00 35.03 33.12 1j4b n LYS 93 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1j4b s ALA 94 N -1.11 3.23 -0.12 7.82 0.00 -1.08 -4.89 121.76 125.61 1j4b s ALA 94 Ca 0.44 -1.47 0.01 0.00 0.00 0.00 0.00 51.96 50.93 1j4b s ALA 94 Cb 0.23 0.34 -0.01 0.00 0.00 0.00 0.00 23.12 23.68 1j4b s ALA 94 CO 0.31 -0.17 -0.15 0.08 0.00 0.00 0.00 175.76 175.83 1j4b s VAL 95 N -2.98 2.92 -0.17 0.00 1.01 0.54 -4.88 120.40 116.84 1j4b s VAL 95 Ca 0.24 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 1j4b s VAL 95 Cb 0.06 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 1j4b s VAL 95 CO 0.12 0.53 0.19 -0.44 0.00 0.00 0.00 175.10 175.51 1j4b s SER 96 N 0.26 6.32 -0.04 3.32 0.01 0.11 -0.85 113.70 122.84 1j4b s SER 96 Ca -0.10 0.37 0.03 0.00 1.31 0.00 0.00 55.95 57.56 1j4b s SER 96 Cb -0.16 -2.12 0.00 0.00 0.21 0.00 0.00 66.02 63.95 1j4b s SER 96 CO 0.06 0.18 -0.13 0.12 0.41 0.00 0.00 173.24 173.88 1j4b s PHE 97 N 0.19 1.34 -0.21 2.43 5.36 0.02 -0.68 117.98 126.42 1j4b s PHE 97 Ca 0.12 -0.37 -0.06 0.00 -0.96 0.00 0.00 56.93 55.66 1j4b s PHE 97 Cb -0.12 -0.93 -0.02 0.00 -0.34 0.00 0.00 43.02 41.61 1j4b s PHE 97 CO 0.01 -0.14 0.01 0.42 -1.46 0.00 0.00 175.22 174.06 1j4b s ILE 98 N 0.17 4.00 0.77 3.12 -1.09 -0.30 -2.06 121.20 125.81 1j4b s ILE 98 Ca -0.04 -0.29 -0.12 0.00 -2.23 0.00 0.00 60.65 57.97 1j4b s ILE 98 Cb -0.11 -2.83 0.05 0.00 -1.58 0.00 0.00 42.46 38.00 1j4b s ILE 98 CO 0.01 0.41 1.14 -0.83 -1.23 0.00 0.00 174.94 174.44 1j4b s GLY 99 N 1.19 1.61 0.52 6.18 0.00 0.04 -1.23 107.32 115.64 1j4b s GLY 99 Ca 0.03 -0.51 0.21 0.00 0.00 0.00 0.00 44.72 44.45 1j4b s GLY 99 CO 0.02 -0.07 2.13 3.45 0.00 0.00 0.00 173.10 178.63 1j4b h ASN 100 N -0.91 0.00 0.00 1.64 7.08 -1.77 -2.48 115.58 119.14 1j4b h ASN 100 Ca -0.46 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.76 1j4b h ASN 100 Cb 1.30 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.54 1j4b h ASN 100 CO 0.65 0.06 0.00 0.61 -2.08 0.00 0.00 177.43 176.67 1j4b n GLY 101 N -1.22 -0.84 3.65 9.14 0.00 -1.00 -4.02 105.19 110.89 1j4b n GLY 101 Ca -0.03 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1j4b n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j4b s VAL 102 N -2.00 4.28 -0.17 1.61 1.01 -0.94 -3.55 120.40 120.65 1j4b s VAL 102 Ca 0.05 -0.25 -0.14 0.00 0.00 0.00 0.00 61.98 61.64 1j4b s VAL 102 Cb 0.02 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 1j4b s VAL 102 CO 0.04 0.57 0.31 0.68 0.00 0.00 0.00 175.10 176.70 1j4b s VAL 103 N -0.56 5.29 0.00 2.92 -7.23 -1.26 -3.43 120.40 116.13 1j4b s VAL 103 Ca 0.09 0.56 0.08 0.00 -1.81 0.00 0.00 61.98 60.91 1j4b s VAL 103 Cb -0.12 -3.64 -0.02 0.00 0.56 0.00 0.00 36.38 33.16 1j4b s VAL 103 CO 0.02 0.37 -0.24 0.27 -0.31 0.00 0.00 175.10 175.21 1j4b s ILE 104 N 0.60 1.93 -0.39 -0.62 -5.25 -0.32 -4.86 121.20 112.30 1j4b s ILE 104 Ca 0.17 -1.13 -0.09 0.00 -0.99 0.00 0.00 60.65 58.60 1j4b s ILE 104 Cb -0.13 -1.62 0.05 0.00 2.95 0.00 0.00 42.46 43.71 1j4b s ILE 104 CO 0.04 0.46 0.21 -2.28 -1.79 0.00 0.00 174.94 171.59 1j4b s HIS 105 N -0.64 3.28 0.19 1.37 5.65 -1.26 0.59 115.29 124.47 1j4b s HIS 105 Ca 0.10 -1.27 -0.15 0.00 0.25 0.00 0.00 55.06 53.99 1j4b s HIS 105 Cb -0.09 -2.61 0.19 0.00 -1.18 0.00 0.00 32.58 28.89 1j4b s HIS 105 CO 0.00 -0.74 1.64 -0.07 -0.65 0.00 0.00 174.74 174.92 1j4b h LEU 106 N 8.39 -0.55 -0.64 8.88 -0.00 -1.99 0.37 115.31 129.76 1j4b h LEU 106 Ca -0.24 0.17 -0.07 0.00 -0.00 0.00 0.00 57.88 57.74 1j4b h LEU 106 Cb 1.09 0.35 -0.03 0.00 -0.00 0.00 0.00 40.66 42.08 1j4b h LEU 106 CO 0.69 -0.19 0.12 1.55 -0.00 0.00 0.00 178.44 180.61 1j4b h PRO 107 N -0.01 1.05 -0.53 1.13 0.13 -1.94 -2.15 132.00 129.68 1j4b h PRO 107 Ca 0.26 -0.27 0.07 0.00 -0.87 0.00 0.00 66.00 65.19 1j4b h PRO 107 Cb 0.41 -0.13 -0.06 0.00 0.13 0.00 0.00 31.00 31.36 1j4b h PRO 107 CO -0.57 0.96 0.20 0.78 -0.23 0.00 0.00 178.00 179.14 1j4b h GLY 108 N 0.97 0.72 0.90 1.56 0.00 -1.44 0.17 103.07 105.94 1j4b h GLY 108 Ca 0.20 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 1j4b h GLY 108 CO 0.01 0.02 -0.48 -2.00 0.00 0.00 0.00 176.54 174.08 1j4b h LEU 109 N 0.39 -1.19 -1.34 3.11 5.85 -0.00 -2.11 115.31 120.02 1j4b h LEU 109 Ca 0.25 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.98 1j4b h LEU 109 Cb 0.27 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1j4b h LEU 109 CO -0.25 -0.77 -0.04 -0.26 -0.34 0.00 0.00 178.44 176.78 1j4b h PHE 110 N -1.25 0.40 -0.45 1.25 0.04 -1.29 0.18 116.94 115.82 1j4b h PHE 110 Ca -0.12 -0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.57 1j4b h PHE 110 Cb 0.98 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.99 1j4b h PHE 110 CO -0.06 0.44 0.11 1.49 -0.60 0.00 0.00 178.31 179.68 1j4b h GLU 111 N 0.37 0.67 0.06 1.51 4.81 -0.90 0.28 114.58 121.39 1j4b h GLU 111 Ca 0.08 -0.12 -0.25 0.00 -0.13 0.00 0.00 59.36 58.94 1j4b h GLU 111 Cb 0.32 -0.11 0.02 0.00 0.63 0.00 0.00 28.75 29.61 1j4b h GLU 111 CO 0.01 0.62 -1.01 1.49 -0.73 0.00 0.00 179.01 179.39 1j4b h GLU 112 N 0.66 0.57 -0.12 1.92 4.81 -0.60 -2.79 114.58 119.03 1j4b h GLU 112 Ca 0.15 -0.70 -0.02 0.00 -0.13 0.00 0.00 59.36 58.66 1j4b h GLU 112 Cb 0.25 0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 1j4b h GLU 112 CO -0.00 1.29 -0.01 0.00 -0.73 0.00 0.00 179.01 179.56 1j4b h ALA 113 N 0.30 0.17 -0.14 2.92 0.00 -0.34 -2.73 119.26 119.44 1j4b h ALA 113 Ca -0.14 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1j4b h ALA 113 Cb 1.70 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1j4b h ALA 113 CO 0.19 -0.12 0.09 0.93 0.00 0.00 0.00 179.25 180.34 1j4b h GLU 114 N -0.07 0.19 -0.56 0.00 5.08 -0.56 0.14 114.58 118.80 1j4b h GLU 114 Ca 0.03 -0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.49 1j4b h GLU 114 Cb 0.40 -0.04 -0.11 0.00 0.50 0.00 0.00 28.75 29.50 1j4b h GLU 114 CO 0.01 0.17 -0.20 -0.22 -1.00 0.00 0.00 179.01 177.77 1j4b h LYS 115 N 0.16 -0.06 0.00 2.33 3.64 -1.50 0.22 116.57 121.37 1j4b h LYS 115 Ca 0.05 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.33 1j4b h LYS 115 Cb 0.03 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1j4b h LYS 115 CO -0.01 -0.04 -0.51 -0.91 -2.27 0.00 0.00 179.45 175.72 1j4b h ASN 116 N -0.06 0.00 -0.90 4.20 2.35 -1.25 -2.71 115.58 117.22 1j4b h ASN 116 Ca 0.26 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1j4b h ASN 116 Cb 0.47 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.80 1j4b h ASN 116 CO -0.61 0.51 0.54 -0.08 -1.65 0.00 0.00 177.43 176.14 1j4b h GLU 117 N 0.00 1.22 0.00 0.81 4.81 0.22 0.14 114.58 121.78 1j4b h GLU 117 Ca -0.01 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1j4b h GLU 117 Cb 0.98 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1j4b h GLU 117 CO 0.07 0.85 0.00 1.63 -0.73 0.00 0.00 179.01 180.83 1j4b n LYS 118 N -4.39 0.78 0.00 1.92 5.02 0.26 -2.82 118.16 118.93 1j4b n LYS 118 Ca 0.10 0.01 0.08 0.00 -2.02 0.00 0.00 58.31 56.47 1j4b n LYS 118 Cb 0.06 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.53 1j4b n LYS 118 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1j4b n LYS 119 N -1.03 1.79 0.00 1.97 5.02 -0.04 -4.96 118.16 120.91 1j4b n LYS 119 Ca 0.19 -0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.02 1j4b n LYS 119 Cb 0.10 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 1j4b n LYS 119 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j4b n GLY 120 N 1.24 1.18 3.58 0.72 0.00 -1.05 -4.86 105.19 106.00 1j4b n GLY 120 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1j4b n GLY 120 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1j4b s LEU 121 N 0.00 3.75 0.21 0.99 2.96 -0.75 -4.98 118.68 120.87 1j4b s LEU 121 Ca 0.00 -2.30 -0.02 0.00 -0.22 0.00 0.00 54.13 51.58 1j4b s LEU 121 Cb 0.00 -2.58 -0.05 0.00 0.50 0.00 0.00 46.19 44.06 1j4b s LEU 121 CO 0.00 -1.35 0.43 -0.54 -1.32 0.00 0.00 176.35 173.57 1j4b s LYS 122 N 4.47 3.56 -1.23 1.98 -0.14 -1.26 -4.10 119.74 123.02 1j4b s LYS 122 Ca 0.55 -0.22 0.00 0.00 -1.36 0.00 0.00 55.97 54.94 1j4b s LYS 122 Cb 0.03 -2.79 0.00 0.00 -1.68 0.00 0.00 37.83 33.39 1j4b s LYS 122 CO 0.07 0.37 0.00 -0.25 -0.76 0.00 0.00 175.35 174.77 1j4b n ASP 123 N -0.61 -4.39 -0.24 2.83 10.43 -1.26 -4.91 116.55 118.40 1j4b n ASP 123 Ca -0.04 0.28 -0.05 0.00 2.57 0.00 0.00 54.79 57.56 1j4b n ASP 123 Cb 0.53 -2.93 0.11 0.00 1.84 0.00 0.00 41.12 40.67 1j4b n ASP 123 CO 0.00 0.00 0.00 4.11 -1.07 0.00 0.00 177.20 180.24 1j4b h TRP 124 N 0.00 1.11 0.00 1.24 5.08 -1.96 -1.05 115.95 120.38 1j4b h TRP 124 Ca -0.24 -0.09 0.00 0.00 1.08 0.00 0.00 58.89 59.64 1j4b h TRP 124 Cb 0.77 -0.33 0.00 0.00 -3.00 0.00 0.00 29.16 26.60 1j4b h TRP 124 CO 0.33 0.86 0.00 -0.85 -1.28 0.00 0.00 178.44 177.50 1j4b n GLU 125 N -4.27 0.13 0.09 0.12 0.00 -1.26 -0.93 120.64 114.51 1j4b n GLU 125 Ca 0.06 0.58 0.12 0.00 0.00 0.00 0.00 57.16 57.93 1j4b n GLU 125 Cb 0.20 -1.88 0.20 0.00 0.00 0.00 0.00 31.44 29.95 1j4b n GLU 125 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1j4b h LYS 126 N 0.00 0.00 0.00 3.44 6.56 -1.58 -3.36 116.57 121.63 1j4b h LYS 126 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1j4b h LYS 126 Cb 0.06 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.72 1j4b h LYS 126 CO 0.00 0.00 -0.05 2.89 -2.06 0.00 0.00 179.45 180.23 1j4b n ARG 127 N -2.29 1.67 -4.32 3.15 1.85 -0.11 -5.03 116.66 111.58 1j4b n ARG 127 Ca 0.03 -1.52 -0.34 0.00 -1.00 0.00 0.00 57.85 55.02 1j4b n ARG 127 Cb 0.46 -0.97 -0.11 0.00 -1.05 0.00 0.00 32.46 30.79 1j4b n ARG 127 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1j4b s LEU 128 N -1.16 3.44 -0.08 2.89 2.96 -0.93 0.10 118.68 125.89 1j4b s LEU 128 Ca 0.08 -0.02 0.02 0.00 -0.22 0.00 0.00 54.13 53.98 1j4b s LEU 128 Cb 0.07 -1.83 0.01 0.00 0.50 0.00 0.00 46.19 44.95 1j4b s LEU 128 CO 0.01 0.22 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.50 1j4b s ILE 129 N 0.08 1.18 -0.16 6.68 1.09 0.15 -4.72 121.20 125.49 1j4b s ILE 129 Ca 0.01 -0.48 -0.04 0.00 -1.10 0.00 0.00 60.65 59.04 1j4b s ILE 129 Cb -0.13 -1.09 -0.03 0.00 -1.06 0.00 0.00 42.46 40.15 1j4b s ILE 129 CO 0.02 0.37 -0.03 -0.63 -0.10 0.00 0.00 174.94 174.57 1j4b s ILE 130 N 0.85 3.90 0.07 2.92 -1.09 -0.72 -1.15 121.20 125.98 1j4b s ILE 130 Ca -0.11 -0.35 -0.31 0.00 -2.23 0.00 0.00 60.65 57.65 1j4b s ILE 130 Cb -0.15 -2.72 -0.07 0.00 -1.58 0.00 0.00 42.46 37.94 1j4b s ILE 130 CO 0.01 0.48 1.45 -0.55 -1.23 0.00 0.00 174.94 175.11 1j4b s SER 131 N 0.45 6.77 0.00 3.58 0.15 -0.36 -1.81 113.70 122.48 1j4b s SER 131 Ca -0.03 2.31 0.07 0.00 0.70 0.00 0.00 55.95 59.00 1j4b s SER 131 Cb -0.14 -2.57 0.34 0.00 -1.71 0.00 0.00 66.02 61.93 1j4b s SER 131 CO 0.03 -0.73 1.18 -0.90 1.20 0.00 0.00 173.24 174.01 1j4b n ASP 132 N 4.69 0.00 -0.71 5.45 5.75 -0.23 -1.90 116.55 129.60 1j4b n ASP 132 Ca 0.13 0.37 0.10 0.00 -0.01 0.00 0.00 54.79 55.38 1j4b n ASP 132 Cb 0.42 -0.41 0.32 0.00 -1.03 0.00 0.00 41.12 40.41 1j4b n ASP 132 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1j4b n ARG 133 N -1.41 1.93 -2.63 0.11 1.74 -1.26 -0.99 116.66 114.15 1j4b n ARG 133 Ca 0.02 -1.40 -0.41 0.00 -0.77 0.00 0.00 57.85 55.30 1j4b n ARG 133 Cb 0.07 -1.41 -0.05 0.00 -1.02 0.00 0.00 32.46 30.05 1j4b n ARG 133 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1j4b s ALA 134 N -1.69 3.34 0.47 7.54 0.00 -0.80 -4.79 121.76 125.84 1j4b s ALA 134 Ca 0.33 0.72 -0.19 0.00 0.00 0.00 0.00 51.96 52.81 1j4b s ALA 134 Cb 0.18 -3.28 -0.09 0.00 0.00 0.00 0.00 23.12 19.93 1j4b s ALA 134 CO 0.27 -0.02 0.99 -1.01 0.00 0.00 0.00 175.76 175.98 1j4b s HIS 135 N -0.68 3.25 -0.17 0.00 3.76 -1.22 -1.39 115.29 118.83 1j4b s HIS 135 Ca 0.45 1.56 -0.10 0.00 -0.15 0.00 0.00 55.06 56.83 1j4b s HIS 135 Cb -0.28 -2.90 -0.05 0.00 1.11 0.00 0.00 32.58 30.47 1j4b s HIS 135 CO 0.34 -0.41 0.15 -0.51 -0.85 0.00 0.00 174.74 173.46 1j4b s LEU 136 N -3.56 4.27 -0.48 0.89 1.43 -0.24 -1.17 118.68 119.82 1j4b s LEU 136 Ca 0.63 0.33 -0.20 0.00 -1.03 0.00 0.00 54.13 53.85 1j4b s LEU 136 Cb -0.11 -2.11 0.04 0.00 0.03 0.00 0.00 46.19 44.03 1j4b s LEU 136 CO 0.21 0.24 0.66 -0.69 0.23 0.00 0.00 176.35 176.99 1j4b s VAL 137 N -0.03 4.81 0.48 -1.59 1.01 0.20 -4.77 120.40 120.50 1j4b s VAL 137 Ca 0.11 -0.17 -0.07 0.00 0.00 0.00 0.00 61.98 61.85 1j4b s VAL 137 Cb -0.12 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 1j4b s VAL 137 CO 0.00 -0.74 0.80 -0.36 0.00 0.00 0.00 175.10 174.80 1j4b s PHE 138 N 2.82 3.55 0.30 5.22 0.08 -1.26 -4.32 117.98 124.37 1j4b s PHE 138 Ca 0.19 0.89 0.05 0.00 0.12 0.00 0.00 56.93 58.18 1j4b s PHE 138 Cb -0.16 -2.36 0.72 0.00 -0.57 0.00 0.00 43.02 40.65 1j4b s PHE 138 CO 0.15 -0.28 1.76 -0.44 -0.10 0.00 0.00 175.22 176.31 1j4b h ASP 139 N 0.37 0.67 0.84 1.36 3.32 -2.00 0.18 116.42 121.17 1j4b h ASP 139 Ca -0.47 0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1j4b h ASP 139 Cb 1.20 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1j4b h ASP 139 CO 0.62 0.21 0.00 2.19 -1.72 0.00 0.00 179.24 180.54 1j4b h PHE 140 N 0.67 0.00 -0.14 4.55 -0.00 -1.93 -1.83 116.94 118.26 1j4b h PHE 140 Ca 0.56 0.00 -0.19 0.00 -0.00 0.00 0.00 57.97 58.35 1j4b h PHE 140 Cb 0.92 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.86 1j4b h PHE 140 CO -0.04 0.00 -0.68 0.45 -0.00 0.00 0.00 178.31 178.04 1j4b h HIS 141 N 0.00 0.74 -0.02 6.09 3.86 -1.00 -1.63 115.15 123.20 1j4b h HIS 141 Ca 0.00 -0.31 -0.14 0.00 -1.16 0.00 0.00 60.37 58.76 1j4b h HIS 141 Cb 0.42 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.75 1j4b h HIS 141 CO 0.00 1.08 -0.66 1.96 0.86 0.00 0.00 177.93 181.17 1j4b h GLN 142 N 0.40 0.07 0.64 2.45 4.20 -1.31 -2.64 115.11 118.93 1j4b h GLN 142 Ca -0.02 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1j4b h GLN 142 Cb 1.26 0.01 0.01 0.00 0.30 0.00 0.00 27.48 29.06 1j4b h GLN 142 CO 0.13 0.70 -0.31 0.00 -0.67 0.00 0.00 178.83 178.68 1j4b h ALA 143 N 1.29 -0.99 -0.37 3.87 0.00 -1.09 0.88 119.26 122.85 1j4b h ALA 143 Ca -0.01 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.82 1j4b h ALA 143 Cb 1.17 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1j4b h ALA 143 CO 0.09 -0.93 0.29 -0.39 0.00 0.00 0.00 179.25 178.31 1j4b h VAL 144 N -1.06 0.69 -0.05 0.00 -1.51 -1.37 0.17 116.25 113.11 1j4b h VAL 144 Ca -0.09 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.35 1j4b h VAL 144 Cb 0.66 0.79 -0.00 0.00 -2.13 0.00 0.00 31.29 30.61 1j4b h VAL 144 CO 0.14 0.00 -0.08 -0.78 -1.23 0.00 0.00 177.57 175.62 1j4b h ASP 145 N 0.00 0.16 -0.02 4.19 3.58 -1.32 0.85 116.42 123.86 1j4b h ASP 145 Ca 0.18 -0.55 -0.01 0.00 0.42 0.00 0.00 57.03 57.07 1j4b h ASP 145 Cb 0.76 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.76 1j4b h ASP 145 CO -0.00 0.67 0.02 0.61 -2.88 0.00 0.00 179.24 177.66 1j4b n GLY 146 N 0.39 2.13 0.00 -0.78 0.00 0.29 -2.91 105.19 104.30 1j4b n GLY 146 Ca -0.08 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1j4b n GLY 146 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1j4b n LEU 147 N 0.60 0.21 0.03 0.99 7.94 -0.81 -4.85 117.00 121.12 1j4b n LEU 147 Ca 0.01 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.76 1j4b n LEU 147 Cb 0.52 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.42 1j4b n LEU 147 CO 0.01 0.04 0.22 1.56 -1.11 0.00 0.00 177.39 178.11 1j4b h GLN 148 N 0.00 0.59 -0.97 1.96 4.20 -0.71 -3.13 115.11 117.05 1j4b h GLN 148 Ca 0.00 -0.56 0.23 0.00 0.06 0.00 0.00 58.65 58.38 1j4b h GLN 148 Cb 0.12 0.14 -0.12 0.00 0.30 0.00 0.00 27.48 27.91 1j4b h GLN 148 CO 0.00 1.18 0.53 1.49 -0.67 0.00 0.00 178.83 181.36 1j4b h GLU 149 N 0.37 0.52 0.00 1.46 4.57 -1.80 1.11 114.58 120.82 1j4b h GLU 149 Ca -0.07 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1j4b h GLU 149 Cb 1.50 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.97 1j4b h GLU 149 CO 0.16 0.35 0.00 0.28 -1.18 0.00 0.00 179.01 178.62 1j4b n VAL 150 N -4.92 0.00 0.06 0.32 0.31 -1.20 -1.30 118.33 111.60 1j4b n VAL 150 Ca 0.25 0.99 0.21 0.00 -0.01 0.00 0.00 64.34 65.78 1j4b n VAL 150 Cb 0.70 -1.87 0.69 0.00 -0.91 0.00 0.00 33.84 32.45 1j4b n VAL 150 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1j4b h GLN 151 N 0.00 0.00 0.02 5.55 4.15 -1.45 0.58 115.11 123.95 1j4b h GLN 151 Ca 0.00 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.22 1j4b h GLN 151 Cb 0.00 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 1j4b h GLN 151 CO 0.00 0.00 -0.93 -0.09 -1.93 0.00 0.00 178.83 175.88 1j4b h ARG 152 N 0.00 0.10 0.00 1.69 2.43 0.13 -3.44 114.38 115.29 1j4b h ARG 152 Ca 0.23 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1j4b h ARG 152 Cb 1.38 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 1j4b h ARG 152 CO -0.00 0.95 0.00 0.94 -1.51 0.00 0.00 179.97 180.35 1j4b n GLN 153 N -3.55 0.00 0.00 0.20 0.00 0.20 -4.54 117.38 109.69 1j4b n GLN 153 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.98 1j4b n GLN 153 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 30.24 31.09 1j4b n GLN 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1j4b n ALA 154 N -3.00 0.00 0.00 1.69 0.00 -0.87 -3.75 120.51 114.58 1j4b n ALA 154 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1j4b n ALA 154 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1j4b n ALA 154 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1j4b n GLN 155 N -0.67 0.00 -2.72 0.00 6.02 -1.26 -3.05 117.38 115.70 1j4b n GLN 155 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 1j4b n GLN 155 Cb 0.00 0.00 0.10 0.00 1.02 0.00 0.00 30.24 31.36 1j4b n GLN 155 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1j4b n GLU 156 N 0.00 1.15 0.00 -1.09 0.00 -1.26 -5.13 120.64 114.30 1j4b n GLU 156 Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 57.16 55.15 1j4b n GLU 156 Cb 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 31.44 31.02 1j4b n GLU 156 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1j4b n GLY 157 N -0.30 0.81 2.37 -1.84 0.00 -1.17 -5.01 105.19 100.05 1j4b n GLY 157 Ca 0.01 -0.97 -0.26 0.00 0.00 0.00 0.00 46.02 44.80 1j4b n GLY 157 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j4b n LYS 158 N 0.00 1.73 -1.11 1.61 4.01 -1.26 -5.04 118.16 118.09 1j4b n LYS 158 Ca 0.00 -4.08 -0.18 0.00 -0.51 0.00 0.00 58.31 53.54 1j4b n LYS 158 Cb 0.00 -1.86 -0.09 0.00 -0.51 0.00 0.00 35.03 32.57 1j4b n LYS 158 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1j4b n ASN 159 N 1.22 0.38 -0.10 4.39 0.23 -1.26 -4.67 115.26 115.45 1j4b n ASN 159 Ca 0.26 -2.07 0.26 0.00 -0.53 0.00 0.00 54.58 52.50 1j4b n ASN 159 Cb 0.45 -1.00 0.72 0.00 -2.08 0.00 0.00 39.78 37.87 1j4b n ASN 159 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 1j4b h ILE 160 N 6.09 0.45 -0.88 1.53 2.04 -1.96 -3.45 117.51 121.32 1j4b h ILE 160 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1j4b h ILE 160 Cb 0.86 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1j4b h ILE 160 CO 1.23 0.00 0.00 0.61 0.00 0.00 0.00 178.15 179.99 1j4b n GLY 161 N -1.64 0.60 3.55 5.37 0.00 -1.26 -4.94 105.19 106.87 1j4b n GLY 161 Ca 0.15 -0.27 -0.17 0.00 0.00 0.00 0.00 46.02 45.73 1j4b n GLY 161 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1j4b n THR 162 N -0.69 -0.01 -1.30 2.61 -1.04 -1.26 -4.80 114.28 107.79 1j4b n THR 162 Ca 0.00 -0.54 -0.57 0.00 -2.04 0.00 0.00 64.05 60.90 1j4b n THR 162 Cb 0.25 -1.93 -0.11 0.00 -1.82 0.00 0.00 70.33 66.71 1j4b n THR 162 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1j4b n THR 163 N 8.43 0.03 -0.21 12.58 -1.04 -1.26 -4.70 114.28 128.11 1j4b n THR 163 Ca 0.48 -0.04 -0.05 0.00 -2.04 0.00 0.00 64.05 62.39 1j4b n THR 163 Cb 0.42 -0.68 -0.01 0.00 -1.82 0.00 0.00 70.33 68.23 1j4b n THR 163 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1j4b n LYS 164 N 7.68 0.54 0.00 -2.82 4.01 -1.26 -3.71 118.16 122.61 1j4b n LYS 164 Ca 0.54 -0.59 0.06 0.00 -0.51 0.00 0.00 58.31 57.80 1j4b n LYS 164 Cb 0.01 -1.96 0.03 0.00 -0.51 0.00 0.00 35.03 32.59 1j4b n LYS 164 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1j4b n LYS 165 N 4.17 1.24 -1.19 1.97 4.76 -1.26 -4.87 118.16 122.98 1j4b n LYS 165 Ca 0.12 -0.95 -0.07 0.00 -2.87 0.00 0.00 58.31 54.54 1j4b n LYS 165 Cb 0.08 -1.17 -0.03 0.00 -1.84 0.00 0.00 35.03 32.06 1j4b n LYS 165 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1j4b n GLY 166 N 0.78 0.86 0.13 0.72 0.00 -1.24 -4.68 105.19 101.75 1j4b n GLY 166 Ca 0.06 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 1j4b n GLY 166 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1j4b h ILE 167 N 0.00 1.10 -0.11 -0.61 1.08 -1.88 -2.77 117.51 114.32 1j4b h ILE 167 Ca -0.13 -0.24 -0.02 0.00 -0.39 0.00 0.00 64.86 64.08 1j4b h ILE 167 Cb 0.56 0.81 -0.00 0.00 -3.07 0.00 0.00 36.82 35.11 1j4b h ILE 167 CO 0.20 0.10 0.00 1.23 -0.69 0.00 0.00 178.15 178.99 1j4b h GLY 168 N 0.31 0.21 0.35 5.37 0.00 -1.92 -2.27 103.07 105.13 1j4b h GLY 168 Ca 0.09 -0.15 0.13 0.00 0.00 0.00 0.00 47.33 47.40 1j4b h GLY 168 CO -0.02 0.14 0.49 -2.55 0.00 0.00 0.00 176.54 174.61 1j4b h PRO 169 N -0.06 0.72 -0.05 4.80 0.11 -1.83 -0.85 132.00 134.83 1j4b h PRO 169 Ca 0.03 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.95 1j4b h PRO 169 Cb 0.34 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 1j4b h PRO 169 CO 0.00 0.48 -0.63 0.00 -0.21 0.00 0.00 178.00 177.64 1j4b h THR 170 N 0.75 1.41 0.00 -1.15 1.03 -1.46 -2.82 112.91 110.66 1j4b h THR 170 Ca 0.46 -2.06 -0.02 0.00 -0.01 0.00 0.00 66.41 64.77 1j4b h THR 170 Cb 0.56 2.07 -0.00 0.00 -1.07 0.00 0.00 68.15 69.70 1j4b h THR 170 CO -0.31 0.61 -0.12 1.88 -0.01 0.00 0.00 175.52 177.56 1j4b h TYR 171 N 0.15 0.00 0.13 0.00 0.05 -0.57 -1.92 116.97 114.81 1j4b h TYR 171 Ca -0.01 0.00 -0.28 0.00 0.05 0.00 0.00 58.73 58.49 1j4b h TYR 171 Cb 1.14 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.89 1j4b h TYR 171 CO 0.02 0.12 -1.30 0.77 -1.05 0.00 0.00 178.16 176.72 1j4b h SER 172 N 0.00 0.44 -0.69 3.88 0.02 -1.13 -2.43 113.55 113.64 1j4b h SER 172 Ca -0.00 -0.49 -0.04 0.00 -0.84 0.00 0.00 61.79 60.42 1j4b h SER 172 Cb 0.46 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 1j4b h SER 172 CO 0.02 1.39 0.29 0.28 -1.14 0.00 0.00 176.83 177.66 1j4b h SER 173 N 0.08 0.95 -0.23 3.07 0.02 -1.20 0.40 113.55 116.64 1j4b h SER 173 Ca -0.16 -0.16 0.03 0.00 -0.84 0.00 0.00 61.79 60.66 1j4b h SER 173 Cb 1.99 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 64.26 1j4b h SER 173 CO 0.20 0.85 0.04 0.50 -1.14 0.00 0.00 176.83 177.29 1j4b h LYS 174 N 0.98 0.13 -0.35 3.45 3.64 -1.37 0.27 116.57 123.32 1j4b h LYS 174 Ca 0.23 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.64 1j4b h LYS 174 Cb 0.19 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1j4b h LYS 174 CO -0.02 0.09 0.15 0.00 -2.27 0.00 0.00 179.45 177.40 1j4b h ALA 175 N 1.17 0.42 0.00 5.00 0.00 -0.77 -0.22 119.26 124.85 1j4b h ALA 175 Ca 0.10 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1j4b h ALA 175 Cb 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1j4b h ALA 175 CO -0.14 -0.23 0.00 0.00 0.00 0.00 0.00 179.25 178.88 1j4b n ALA 176 N -2.29 2.06 -1.14 0.00 0.00 0.13 -4.81 120.51 114.46 1j4b n ALA 176 Ca 0.01 -0.10 -0.08 0.00 0.00 0.00 0.00 53.44 53.27 1j4b n ALA 176 Cb 0.10 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.24 1j4b n ALA 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1j4b n ARG 177 N -1.10 -1.74 -0.43 0.00 1.74 0.00 -4.77 116.66 110.36 1j4b n ARG 177 Ca 0.11 0.70 0.10 0.00 -0.77 0.00 0.00 57.85 57.99 1j4b n ARG 177 Cb 0.09 -4.97 0.30 0.00 -1.02 0.00 0.00 32.46 26.85 1j4b n ARG 177 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1j4b n THR 178 N -1.92 1.38 -2.88 0.55 5.66 -0.72 -4.98 114.28 111.37 1j4b n THR 178 Ca -0.08 -1.13 -0.21 0.00 -3.05 0.00 0.00 64.05 59.59 1j4b n THR 178 Cb 0.50 0.32 0.07 0.00 -1.55 0.00 0.00 70.33 69.67 1j4b n THR 178 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1j4b s GLY 179 N -1.02 1.76 0.23 1.09 0.00 -1.10 -4.83 107.32 103.45 1j4b s GLY 179 Ca 0.44 -1.95 0.10 0.00 0.00 0.00 0.00 44.72 43.32 1j4b s GLY 179 CO 0.25 -1.49 -0.19 1.08 0.00 0.00 0.00 173.10 172.76 1j4b s LEU 180 N -4.79 2.53 0.28 0.66 1.43 -1.26 -4.97 118.68 112.56 1j4b s LEU 180 Ca 0.62 -0.97 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1j4b s LEU 180 Cb -0.06 -0.98 -0.06 0.00 0.03 0.00 0.00 46.19 45.12 1j4b s LEU 180 CO 0.40 -0.00 0.07 -0.13 0.23 0.00 0.00 176.35 176.92 1j4b s ARG 181 N -3.27 1.48 0.20 1.70 0.52 -1.26 -1.08 118.95 117.24 1j4b s ARG 181 Ca 0.24 -1.80 -0.14 0.00 -0.52 0.00 0.00 55.73 53.52 1j4b s ARG 181 Cb -0.05 -0.50 0.21 0.00 0.52 0.00 0.00 34.95 35.14 1j4b s ARG 181 CO 0.11 -0.24 1.64 0.82 0.02 0.00 0.00 175.30 177.66 1j4b h ILE 182 N 2.31 0.44 -0.49 1.52 5.03 -1.31 -0.20 117.51 124.81 1j4b h ILE 182 Ca -0.39 -0.01 0.10 0.00 -0.12 0.00 0.00 64.86 64.45 1j4b h ILE 182 Cb 1.24 0.42 -0.03 0.00 -3.03 0.00 0.00 36.82 35.43 1j4b h ILE 182 CO 0.64 0.00 0.34 0.00 -0.68 0.00 0.00 178.15 178.45 1j4b h ASP 184 N 0.20 0.77 0.24 0.00 3.32 -1.33 -2.32 116.42 117.30 1j4b h ASP 184 Ca 0.23 -0.61 -0.05 0.00 0.02 0.00 0.00 57.03 56.62 1j4b h ASP 184 Cb 0.64 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1j4b h ASP 184 CO -0.04 1.41 -0.23 0.25 -1.72 0.00 0.00 179.24 178.91 1j4b h LEU 185 N 0.34 0.00 0.00 1.55 6.46 -0.60 -2.66 115.31 120.40 1j4b h LEU 185 Ca -0.11 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.65 1j4b h LEU 185 Cb 1.64 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.57 1j4b h LEU 185 CO 0.19 0.23 -0.57 -0.07 -0.62 0.00 0.00 178.44 177.59 1j4b h LEU 186 N 0.00 0.00 0.00 2.25 4.07 -1.12 -3.46 115.31 117.06 1j4b h LEU 186 Ca -0.00 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.89 1j4b h LEU 186 Cb 0.41 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1j4b h LEU 186 CO 0.03 0.03 0.00 -0.24 -1.08 0.00 0.00 178.44 177.18 1j4b n SER 187 N -2.55 0.00 -4.67 -0.43 2.88 -0.88 -4.91 113.62 103.06 1j4b n SER 187 Ca 0.02 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 57.11 1j4b n SER 187 Cb 0.50 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.92 1j4b n SER 187 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1j4b n ASP 188 N 0.00 3.76 0.20 -3.46 2.03 -1.26 -4.87 116.55 112.94 1j4b n ASP 188 Ca 0.00 0.96 0.07 0.00 0.52 0.00 0.00 54.79 56.34 1j4b n ASP 188 Cb 0.00 -1.45 0.40 0.00 -0.72 0.00 0.00 41.12 39.35 1j4b n ASP 188 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1j4b h PHE 189 N 9.40 0.00 0.13 -0.67 3.57 -1.87 -2.71 116.94 124.79 1j4b h PHE 189 Ca -0.48 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.01 1j4b h PHE 189 Cb 1.25 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.99 1j4b h PHE 189 CO 0.88 0.32 -0.06 -0.44 -2.23 0.00 0.00 178.31 176.77 1j4b h ASP 190 N 0.00 -0.15 -0.79 0.41 3.32 -1.98 0.37 116.42 117.60 1j4b h ASP 190 Ca -0.00 -0.34 0.09 0.00 0.02 0.00 0.00 57.03 56.79 1j4b h ASP 190 Cb 0.79 0.04 -0.07 0.00 0.22 0.00 0.00 39.33 40.32 1j4b h ASP 190 CO 0.04 0.29 0.45 -0.33 -1.72 0.00 0.00 179.24 177.97 1j4b h GLU 191 N -0.64 0.74 0.37 3.56 3.07 -1.97 0.28 114.58 119.99 1j4b h GLU 191 Ca -0.02 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.78 1j4b h GLU 191 Cb 0.48 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1j4b h GLU 191 CO 0.03 0.49 -0.18 0.35 -1.40 0.00 0.00 179.01 178.31 1j4b h PHE 192 N 0.77 -0.46 -0.91 4.33 3.57 -1.40 0.21 116.94 123.04 1j4b h PHE 192 Ca 0.37 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 62.00 1j4b h PHE 192 Cb 0.32 0.15 -0.07 0.00 2.79 0.00 0.00 35.95 39.14 1j4b h PHE 192 CO -0.07 -0.18 0.59 0.77 -2.23 0.00 0.00 178.31 177.19 1j4b h SER 193 N -0.68 0.70 0.25 0.41 0.02 0.26 0.71 113.55 115.21 1j4b h SER 193 Ca -0.05 0.04 -0.17 0.00 -0.84 0.00 0.00 61.79 60.77 1j4b h SER 193 Cb 0.48 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1j4b h SER 193 CO 0.08 0.35 -0.67 0.00 -1.14 0.00 0.00 176.83 175.45 1j4b h ALA 194 N 1.59 0.66 0.00 3.77 0.00 -0.26 -2.20 119.26 122.83 1j4b h ALA 194 Ca 0.46 -0.58 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1j4b h ALA 194 Cb 0.69 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1j4b h ALA 194 CO -0.22 0.74 -0.55 -0.09 0.00 0.00 0.00 179.25 179.13 1j4b h ARG 195 N 0.28 0.00 -0.40 0.00 2.43 0.23 -2.56 114.38 114.36 1j4b h ARG 195 Ca -0.02 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 1j4b h ARG 195 Cb 1.23 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 1j4b h ARG 195 CO 0.11 0.55 -0.16 0.35 -1.51 0.00 0.00 179.97 179.32 1j4b h PHE 196 N 0.00 0.94 -0.50 2.20 3.57 0.43 -2.62 116.94 120.95 1j4b h PHE 196 Ca -0.01 -0.22 -0.02 0.00 3.53 0.00 0.00 57.97 61.26 1j4b h PHE 196 Cb 1.22 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.71 1j4b h PHE 196 CO 0.00 0.97 0.25 0.87 -2.23 0.00 0.00 178.31 178.17 1j4b h LYS 197 N 0.63 0.71 -0.18 1.11 1.57 -1.21 -1.51 116.57 117.70 1j4b h LYS 197 Ca 0.09 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1j4b h LYS 197 Cb 0.70 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1j4b h LYS 197 CO 0.05 0.59 -0.17 -0.91 -0.57 0.00 0.00 179.45 178.44 1j4b h ASN 198 N 0.66 0.29 -0.05 0.86 2.35 -1.42 -1.14 115.58 117.12 1j4b h ASN 198 Ca 0.17 -0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 1j4b h ASN 198 Cb 0.10 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1j4b h ASN 198 CO -0.02 0.48 -0.12 0.25 -1.65 0.00 0.00 177.43 176.37 1j4b h LEU 199 N 0.28 0.19 -1.28 1.61 5.85 -1.15 -2.50 115.31 118.31 1j4b h LEU 199 Ca 0.05 -0.58 -0.04 0.00 0.84 0.00 0.00 57.88 58.15 1j4b h LEU 199 Cb 0.46 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1j4b h LEU 199 CO 0.03 0.74 0.07 0.00 -0.34 0.00 0.00 178.44 178.94 1j4b h ALA 200 N 0.46 1.42 0.46 1.25 0.00 -1.16 -1.97 119.26 119.73 1j4b h ALA 200 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1j4b h ALA 200 Cb 0.71 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1j4b h ALA 200 CO 0.03 0.42 -0.22 1.25 0.00 0.00 0.00 179.25 180.72 1j4b h HIS 201 N 0.55 -0.57 -0.79 0.00 -0.00 -1.20 -0.68 115.15 112.46 1j4b h HIS 201 Ca 0.13 -0.01 0.13 0.00 -0.00 0.00 0.00 60.37 60.62 1j4b h HIS 201 Cb 0.24 0.19 -0.09 0.00 -0.00 0.00 0.00 27.41 27.75 1j4b h HIS 201 CO 0.01 -0.32 0.38 1.96 -0.00 0.00 0.00 177.93 179.96 1j4b h GLN 202 N -0.69 0.55 -0.11 5.26 4.20 -1.17 0.60 115.11 123.74 1j4b h GLN 202 Ca -0.06 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 1j4b h GLN 202 Cb 0.51 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1j4b h GLN 202 CO 0.10 0.36 0.07 0.45 -0.67 0.00 0.00 178.83 179.15 1j4b h HIS 203 N 0.57 0.15 0.00 2.96 3.86 -1.11 -0.69 115.15 120.89 1j4b h HIS 203 Ca 0.43 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.64 1j4b h HIS 203 Cb 0.59 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.01 1j4b h HIS 203 CO -0.12 0.12 0.00 1.96 0.86 0.00 0.00 177.93 180.76 1j4b h GLN 204 N 0.13 0.00 0.00 2.45 4.20 0.34 0.16 115.11 122.39 1j4b h GLN 204 Ca 0.04 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 1j4b h GLN 204 Cb 0.02 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 1j4b h GLN 204 CO -0.01 0.00 -0.59 1.03 -0.67 0.00 0.00 178.83 178.59 1j4b h SER 205 N 0.00 0.00 0.24 1.46 0.87 0.49 -3.23 113.55 113.38 1j4b h SER 205 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1j4b h SER 205 Cb 0.12 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1j4b h SER 205 CO 0.00 0.12 -1.76 0.23 -0.53 0.00 0.00 176.83 174.89 1j4b n MET 206 N -2.93 0.65 -3.50 2.24 2.81 0.10 -4.74 117.12 111.74 1j4b n MET 206 Ca 0.01 -0.12 -0.29 0.00 -1.81 0.00 0.00 57.70 55.49 1j4b n MET 206 Cb 0.59 -1.60 -0.14 0.00 -0.71 0.00 0.00 33.22 31.37 1j4b n MET 206 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1j4b s PHE 207 N -3.48 0.51 0.37 2.03 0.40 0.32 -5.02 117.98 113.11 1j4b s PHE 207 Ca -0.06 -1.22 0.09 0.00 -0.60 0.00 0.00 56.93 55.14 1j4b s PHE 207 Cb 0.13 -0.91 0.74 0.00 0.51 0.00 0.00 43.02 43.49 1j4b s PHE 207 CO 0.88 -0.83 1.89 -1.00 0.70 0.00 0.00 175.22 176.86 1j4b h PRO 208 N 7.76 0.23 -0.99 0.24 0.13 -1.83 -2.76 132.00 134.79 1j4b h PRO 208 Ca -0.08 -0.06 -0.10 0.00 -0.87 0.00 0.00 66.00 64.89 1j4b h PRO 208 Cb 0.99 -0.03 -0.06 0.00 0.13 0.00 0.00 31.00 32.04 1j4b h PRO 208 CO 0.36 0.41 0.12 0.25 -0.23 0.00 0.00 178.00 178.91 1j4b n THR 209 N -4.24 1.36 -3.81 1.56 -2.24 -1.26 -4.77 114.28 100.88 1j4b n THR 209 Ca -0.01 -0.40 -0.37 0.00 -2.27 0.00 0.00 64.05 61.01 1j4b n THR 209 Cb 0.30 -0.83 -0.13 0.00 -2.10 0.00 0.00 70.33 67.57 1j4b n THR 209 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1j4b s LEU 210 N -0.69 4.25 0.15 3.22 1.98 -1.04 -5.09 118.68 121.45 1j4b s LEU 210 Ca 0.12 -1.26 -0.16 0.00 -2.89 0.00 0.00 54.13 49.94 1j4b s LEU 210 Cb 0.10 -1.81 -0.07 0.00 0.66 0.00 0.00 46.19 45.07 1j4b s LEU 210 CO 0.03 -0.32 0.59 -1.61 -1.89 0.00 0.00 176.35 173.14 1j4b s GLU 211 N 1.33 4.06 0.00 1.98 0.41 -1.26 -4.86 118.70 120.36 1j4b s GLU 211 Ca -0.02 0.60 0.00 0.00 -0.41 0.00 0.00 54.97 55.14 1j4b s GLU 211 Cb -0.20 -2.96 0.00 0.00 -1.78 0.00 0.00 34.13 29.19 1j4b s GLU 211 CO 0.01 0.48 0.00 -0.89 -0.49 0.00 0.00 175.26 174.37 1j4b n ILE 212 N 0.92 0.00 -0.92 -1.63 5.41 -1.26 -4.97 119.36 116.92 1j4b n ILE 212 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.70 1j4b n ILE 212 Cb 0.51 -0.44 0.00 0.00 -0.71 0.00 0.00 39.64 39.01 1j4b n ILE 212 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1j4b n ASP 213 N -1.69 -1.22 0.05 4.38 2.03 -1.26 -4.89 116.55 113.95 1j4b n ASP 213 Ca 0.00 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.25 1j4b n ASP 213 Cb 0.00 -0.61 -0.03 0.00 -0.72 0.00 0.00 41.12 39.76 1j4b n ASP 213 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1j4b h VAL 214 N 0.00 0.00 -0.97 5.18 2.07 -1.99 -2.57 116.25 117.97 1j4b h VAL 214 Ca 0.00 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.80 1j4b h VAL 214 Cb 0.46 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.09 1j4b h VAL 214 CO 0.00 0.00 0.51 -0.33 0.02 0.00 0.00 177.57 177.77 1j4b h GLU 215 N -0.27 0.36 -0.51 1.57 4.39 -1.98 0.26 114.58 118.40 1j4b h GLU 215 Ca -0.01 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 1j4b h GLU 215 Cb 0.27 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1j4b h GLU 215 CO -0.09 0.24 0.12 0.78 -1.16 0.00 0.00 179.01 178.90 1j4b h GLY 216 N 0.38 0.89 0.83 -3.84 0.00 -1.91 -0.58 103.07 98.83 1j4b h GLY 216 Ca 0.67 -0.57 -0.13 0.00 0.00 0.00 0.00 47.33 47.30 1j4b h GLY 216 CO -0.58 0.53 -0.44 1.46 0.00 0.00 0.00 176.54 177.51 1j4b h GLN 217 N 0.72 0.48 -1.00 4.80 4.20 -0.46 -2.46 115.11 121.38 1j4b h GLN 217 Ca 0.16 -0.38 0.02 0.00 0.06 0.00 0.00 58.65 58.52 1j4b h GLN 217 Cb 0.35 0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.15 1j4b h GLN 217 CO 0.00 1.01 0.66 -0.07 -0.67 0.00 0.00 178.83 179.76 1j4b h LEU 218 N 0.06 1.13 -0.31 1.46 3.38 -0.60 0.18 115.31 120.60 1j4b h LEU 218 Ca -0.03 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1j4b h LEU 218 Cb 1.08 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1j4b h LEU 218 CO 0.09 0.80 0.16 0.50 0.09 0.00 0.00 178.44 180.08 1j4b h LYS 219 N 1.32 0.44 -0.06 1.13 3.64 -1.09 0.14 116.57 122.08 1j4b h LYS 219 Ca 0.38 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.64 1j4b h LYS 219 Cb -0.09 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1j4b h LYS 219 CO -0.10 0.38 -0.27 -0.09 -2.27 0.00 0.00 179.45 177.10 1j4b h ARG 220 N 0.38 0.11 -0.16 1.90 2.43 -0.89 -2.71 114.38 115.44 1j4b h ARG 220 Ca 0.11 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 59.08 1j4b h ARG 220 Cb 0.08 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1j4b h ARG 220 CO -0.02 0.38 -0.53 -0.07 -1.51 0.00 0.00 179.97 178.22 1j4b h LEU 221 N 0.10 0.74 -2.43 3.80 3.38 -0.05 -2.55 115.31 118.29 1j4b h LEU 221 Ca 0.02 -0.60 0.02 0.00 0.09 0.00 0.00 57.88 57.40 1j4b h LEU 221 Cb 0.54 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1j4b h LEU 221 CO 0.04 1.21 0.09 0.50 0.09 0.00 0.00 178.44 180.37 1j4b h LYS 222 N 0.31 0.00 -0.03 1.13 3.64 -0.47 0.22 116.57 121.36 1j4b h LYS 222 Ca -0.02 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.11 1j4b h LYS 222 Cb 1.15 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.99 1j4b h LYS 222 CO 0.11 0.00 -0.98 0.78 -2.27 0.00 0.00 179.45 177.10 1j4b h GLY 223 N 0.00 0.77 1.67 5.01 0.00 -1.19 -3.25 103.07 106.09 1j4b h GLY 223 Ca 0.03 -1.29 -0.10 0.00 0.00 0.00 0.00 47.33 45.97 1j4b h GLY 223 CO -0.00 1.14 -0.32 0.74 0.00 0.00 0.00 176.54 178.10 1j4b h PHE 224 N 0.41 0.43 -0.12 5.60 0.04 -0.29 -2.83 116.94 120.18 1j4b h PHE 224 Ca -0.11 -0.10 0.04 0.00 2.80 0.00 0.00 57.97 60.61 1j4b h PHE 224 Cb 1.62 -0.10 -0.05 0.00 2.20 0.00 0.00 35.95 39.62 1j4b h PHE 224 CO 0.09 0.66 -0.20 0.00 -0.60 0.00 0.00 178.31 178.26 1j4b h ALA 225 N 1.34 -0.15 -0.11 2.45 0.00 -0.97 0.12 119.26 121.93 1j4b h ALA 225 Ca 0.04 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1j4b h ALA 225 Cb 0.72 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1j4b h ALA 225 CO 0.06 -0.66 -0.53 0.93 0.00 0.00 0.00 179.25 179.05 1j4b h GLU 226 N -0.26 0.33 -0.07 0.00 4.39 -1.64 -0.39 114.58 116.93 1j4b h GLU 226 Ca 0.10 -0.20 -0.11 0.00 0.34 0.00 0.00 59.36 59.48 1j4b h GLU 226 Cb 0.39 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1j4b h GLU 226 CO -0.27 0.78 -0.47 -0.09 -1.16 0.00 0.00 179.01 177.80 1j4b h ARG 227 N 0.25 0.18 0.00 2.33 2.43 -1.19 -3.25 114.38 115.13 1j4b h ARG 227 Ca 0.01 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1j4b h ARG 227 Cb 1.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 1j4b h ARG 227 CO 0.09 0.62 -1.47 1.51 -1.51 0.00 0.00 179.97 179.20 1j4b n ILE 228 N -3.97 0.03 -0.23 1.20 3.06 0.37 -4.61 119.36 115.20 1j4b n ILE 228 Ca -0.02 -0.27 0.04 0.00 -2.50 0.00 0.00 62.75 60.00 1j4b n ILE 228 Cb 0.52 0.41 0.15 0.00 0.54 0.00 0.00 39.64 41.26 1j4b n ILE 228 CO 0.00 0.00 0.00 -0.09 -2.50 0.00 0.00 176.55 173.96 1j4b h ARG 229 N 0.00 0.22 0.00 9.51 2.43 -1.10 -1.61 114.38 123.84 1j4b h ARG 229 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1j4b h ARG 229 Cb 0.77 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1j4b h ARG 229 CO 0.00 0.15 0.00 -0.35 -1.51 0.00 0.00 179.97 178.26 1j4b n PRO 230 N -5.18 0.02 -0.01 0.20 -0.04 -1.26 -2.49 135.00 126.24 1j4b n PRO 230 Ca 0.12 0.43 0.08 0.00 -0.04 0.00 0.00 63.50 64.10 1j4b n PRO 230 Cb 0.42 -1.56 -0.13 0.00 -0.04 0.00 0.00 33.50 32.19 1j4b n PRO 230 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1j4b n MET 231 N -1.61 0.52 -2.54 0.54 2.81 -0.62 -4.98 117.12 111.24 1j4b n MET 231 Ca 0.01 -0.15 -0.38 0.00 -1.81 0.00 0.00 57.70 55.38 1j4b n MET 231 Cb 0.07 -1.39 -0.04 0.00 -0.71 0.00 0.00 33.22 31.14 1j4b n MET 231 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1j4b s VAL 232 N -3.13 3.68 0.28 2.03 1.01 -1.04 -1.76 120.40 121.48 1j4b s VAL 232 Ca -0.06 1.40 -0.13 0.00 0.00 0.00 0.00 61.98 63.19 1j4b s VAL 232 Cb 0.10 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.71 1j4b s VAL 232 CO 0.69 0.12 0.55 -0.13 0.00 0.00 0.00 175.10 176.32 1j4b s ARG 233 N -2.17 1.71 -0.38 2.72 0.52 -0.75 -4.89 118.95 115.71 1j4b s ARG 233 Ca 0.54 -1.31 -0.29 0.00 -0.52 0.00 0.00 55.73 54.15 1j4b s ARG 233 Cb -0.25 0.51 0.01 0.00 0.52 0.00 0.00 34.95 35.74 1j4b s ARG 233 CO 0.31 -0.74 1.40 0.34 0.02 0.00 0.00 175.30 176.63 1j4b s ASP 234 N -3.04 6.40 0.13 0.23 2.15 -1.26 -1.06 116.67 120.21 1j4b s ASP 234 Ca 0.21 0.92 -0.15 0.00 0.43 0.00 0.00 52.55 53.97 1j4b s ASP 234 Cb -0.02 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 1j4b s ASP 234 CO 0.11 -1.36 1.65 1.23 -0.17 0.00 0.00 175.17 176.62 1j4b h GLY 235 N 11.94 0.72 0.98 2.66 0.00 -1.90 -0.35 103.07 117.14 1j4b h GLY 235 Ca -0.27 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.61 1j4b h GLY 235 CO 1.07 0.41 -0.07 -2.08 0.00 0.00 0.00 176.54 175.88 1j4b h VAL 236 N 0.55 0.87 -0.56 4.60 2.07 -1.90 -1.58 116.25 120.29 1j4b h VAL 236 Ca 0.14 -0.05 -0.08 0.00 0.82 0.00 0.00 66.70 67.53 1j4b h VAL 236 Cb 0.29 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1j4b h VAL 236 CO -0.00 0.01 0.02 0.22 0.02 0.00 0.00 177.57 177.84 1j4b h TYR 237 N -0.22 1.02 -0.99 1.57 5.03 -1.95 -1.27 116.97 120.17 1j4b h TYR 237 Ca -0.02 -0.16 0.07 0.00 2.58 0.00 0.00 58.73 61.21 1j4b h TYR 237 Cb 0.17 -0.27 -0.07 0.00 1.55 0.00 0.00 36.73 38.11 1j4b h TYR 237 CO -0.06 0.91 0.64 0.35 -1.32 0.00 0.00 178.16 178.68 1j4b h PHE 238 N 0.88 1.18 0.07 -3.82 3.04 -0.78 -2.09 116.94 115.42 1j4b h PHE 238 Ca 0.17 0.03 -0.21 0.00 3.98 0.00 0.00 57.97 61.94 1j4b h PHE 238 Cb 0.49 -0.39 0.02 0.00 2.56 0.00 0.00 35.95 38.64 1j4b h PHE 238 CO 0.03 0.60 -0.86 0.52 -2.02 0.00 0.00 178.31 176.58 1j4b h MET 239 N 1.14 0.46 -0.97 1.11 2.86 -1.02 -2.85 114.93 115.67 1j4b h MET 239 Ca 0.43 -0.59 0.07 0.00 -2.06 0.00 0.00 59.70 57.55 1j4b h MET 239 Cb 0.20 0.19 -0.07 0.00 0.06 0.00 0.00 31.60 31.98 1j4b h MET 239 CO -0.18 1.23 0.62 -0.92 1.06 0.00 0.00 176.91 178.72 1j4b h TYR 240 N -0.03 1.14 -0.28 -0.22 3.20 -1.01 -1.47 116.97 118.30 1j4b h TYR 240 Ca -0.13 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.59 1j4b h TYR 240 Cb 1.59 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 39.48 1j4b h TYR 240 CO 0.15 0.58 -0.56 0.93 -1.64 0.00 0.00 178.16 177.61 1j4b h GLU 241 N 1.11 0.87 -0.67 1.82 4.39 -1.50 -2.26 114.58 118.35 1j4b h GLU 241 Ca 0.42 -0.56 0.03 0.00 0.34 0.00 0.00 59.36 59.60 1j4b h GLU 241 Cb 0.20 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 1j4b h GLU 241 CO -0.18 1.19 0.41 0.00 -1.16 0.00 0.00 179.01 179.27 1j4b h ALA 242 N 0.69 0.87 -0.38 3.43 0.00 -1.05 -1.00 119.26 121.82 1j4b h ALA 242 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1j4b h ALA 242 Cb 1.17 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1j4b h ALA 242 CO 0.12 0.16 0.00 1.47 0.00 0.00 0.00 179.25 181.00 1j4b n LEU 243 N -4.70 3.04 -0.10 0.00 -0.00 -0.65 -4.04 117.00 110.55 1j4b n LEU 243 Ca 0.07 -1.34 0.01 0.00 -0.00 0.00 0.00 56.01 54.75 1j4b n LEU 243 Cb 0.10 -0.25 0.01 0.00 -0.00 0.00 0.00 43.42 43.28 1j4b n LEU 243 CO 0.32 0.67 0.27 1.41 -0.00 0.00 0.00 177.39 180.07 1j4b n HIS 244 N 1.21 0.00 -0.72 1.47 8.25 -0.85 0.09 115.22 124.66 1j4b n HIS 244 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 1j4b n HIS 244 Cb 0.53 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.64 1j4b n HIS 244 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1j4b n GLY 245 N 0.20 1.71 3.76 -1.41 0.00 -0.41 -5.02 105.19 104.02 1j4b n GLY 245 Ca 0.01 -1.80 -0.35 0.00 0.00 0.00 0.00 46.02 43.89 1j4b n GLY 245 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1j4b s PRO 246 N 3.26 2.99 -0.44 1.61 0.04 -1.26 -4.85 135.00 136.35 1j4b s PRO 246 Ca 0.00 1.65 -0.44 0.00 0.04 0.00 0.00 61.00 62.25 1j4b s PRO 246 Cb 0.00 -1.95 -0.18 0.00 0.04 0.00 0.00 34.50 32.41 1j4b s PRO 246 CO 0.00 -1.15 1.81 -0.35 0.04 0.00 0.00 177.00 177.35 1j4b n PRO 247 N -1.77 0.35 -4.38 0.56 -0.04 -1.26 -4.92 135.00 123.54 1j4b n PRO 247 Ca 0.12 0.12 -0.25 0.00 -0.04 0.00 0.00 63.50 63.45 1j4b n PRO 247 Cb 0.51 -1.71 -0.12 0.00 -0.04 0.00 0.00 33.50 32.14 1j4b n PRO 247 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1j4b s LYS 248 N 4.11 1.39 -0.37 0.54 1.02 -1.26 -5.11 119.74 120.05 1j4b s LYS 248 Ca 1.08 -1.44 -0.08 0.00 0.02 0.00 0.00 55.97 55.54 1j4b s LYS 248 Cb -1.35 -1.62 0.05 0.00 -0.52 0.00 0.00 37.83 34.39 1j4b s LYS 248 CO 0.72 0.35 0.17 0.15 -0.92 0.00 0.00 175.35 175.82 1j4b s LYS 249 N -2.62 2.65 -0.14 1.68 1.02 -1.26 -4.80 119.74 116.27 1j4b s LYS 249 Ca 0.17 -1.24 -0.03 0.00 0.02 0.00 0.00 55.97 54.89 1j4b s LYS 249 Cb -0.07 -3.61 -0.03 0.00 -0.52 0.00 0.00 37.83 33.60 1j4b s LYS 249 CO 0.08 -0.75 -0.04 0.08 -0.92 0.00 0.00 175.35 173.80 1j4b s VAL 250 N 1.44 3.90 -0.06 3.17 1.01 -1.26 -0.41 120.40 128.19 1j4b s VAL 250 Ca 0.01 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 61.67 1j4b s VAL 250 Cb -0.20 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 1j4b s VAL 250 CO 0.03 0.52 -0.19 -0.22 0.00 0.00 0.00 175.10 175.24 1j4b s LEU 251 N 0.11 2.46 -0.12 3.92 0.20 0.57 -0.53 118.68 125.29 1j4b s LEU 251 Ca -0.01 -0.33 0.02 0.00 0.69 0.00 0.00 54.13 54.50 1j4b s LEU 251 Cb -0.14 -1.48 0.01 0.00 -0.43 0.00 0.00 46.19 44.15 1j4b s LEU 251 CO 0.03 0.29 -0.20 -0.69 -0.29 0.00 0.00 176.35 175.49 1j4b s VAL 252 N -0.42 1.88 -0.30 1.68 1.01 0.11 -1.09 120.40 123.26 1j4b s VAL 252 Ca 0.05 -0.88 -0.19 0.00 0.00 0.00 0.00 61.98 60.96 1j4b s VAL 252 Cb -0.12 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 1j4b s VAL 252 CO 0.02 0.52 0.58 -1.61 0.00 0.00 0.00 175.10 174.60 1j4b s GLU 253 N 0.79 3.88 0.44 2.72 2.02 0.21 -1.91 118.70 126.85 1j4b s GLU 253 Ca -0.09 0.21 -0.23 0.00 0.02 0.00 0.00 54.97 54.88 1j4b s GLU 253 Cb -0.16 -3.73 -0.08 0.00 0.10 0.00 0.00 34.13 30.27 1j4b s GLU 253 CO -0.00 -0.54 1.14 0.20 0.02 0.00 0.00 175.26 176.08 1j4b s GLY 254 N 1.65 2.77 0.00 -1.39 0.00 0.46 -4.41 107.32 106.40 1j4b s GLY 254 Ca 0.23 0.89 0.00 0.00 0.00 0.00 0.00 44.72 45.84 1j4b s GLY 254 CO 0.12 1.34 0.84 0.00 0.00 0.00 0.00 173.10 175.40 1j4b n ALA 255 N -0.36 -0.26 -1.37 3.20 0.00 -1.26 -4.85 120.51 115.61 1j4b n ALA 255 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1j4b n ALA 255 Cb 0.48 0.10 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1j4b n ALA 255 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1j4b n ASN 256 N -1.73 0.00 -3.46 0.00 4.13 -1.26 -4.84 115.26 108.09 1j4b n ASN 256 Ca 0.00 0.00 -0.11 0.00 1.68 0.00 0.00 54.58 56.15 1j4b n ASN 256 Cb 0.00 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.22 1j4b n ASN 256 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1j4b s ALA 257 N -2.00 -1.67 0.26 5.41 0.00 -1.26 -3.51 121.76 118.99 1j4b s ALA 257 Ca 0.00 0.64 -0.02 0.00 0.00 0.00 0.00 51.96 52.59 1j4b s ALA 257 Cb 0.00 0.73 0.51 0.00 0.00 0.00 0.00 23.12 24.36 1j4b s ALA 257 CO 0.00 -0.75 1.77 0.00 0.00 0.00 0.00 175.76 176.78 1j4b h ALA 258 N 2.00 1.26 -0.03 0.00 0.00 -1.11 -1.81 119.26 119.57 1j4b h ALA 258 Ca -0.30 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1j4b h ALA 258 Cb 1.29 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1j4b h ALA 258 CO 0.35 -0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.83 1j4b n LEU 259 N -4.84 0.26 -0.45 0.00 4.77 -0.94 -2.52 117.00 113.28 1j4b n LEU 259 Ca 0.16 -0.11 0.04 0.00 -0.03 0.00 0.00 56.01 56.07 1j4b n LEU 259 Cb 0.40 -0.02 0.12 0.00 -2.33 0.00 0.00 43.42 41.59 1j4b n LEU 259 CO 0.22 0.06 0.60 0.18 -1.33 0.00 0.00 177.39 177.12 1j4b n LEU 260 N -0.55 2.72 -4.71 2.23 4.77 -0.69 -0.47 117.00 120.30 1j4b n LEU 260 Ca 0.11 -2.15 -0.42 0.00 -0.03 0.00 0.00 56.01 53.52 1j4b n LEU 260 Cb 0.09 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 1j4b n LEU 260 CO 0.08 0.66 0.87 -0.62 -1.33 0.00 0.00 177.39 177.05 1j4b s ASP 261 N -1.18 7.11 0.21 -1.43 -1.08 -1.05 -0.53 116.67 118.73 1j4b s ASP 261 Ca 0.19 2.00 -0.14 0.00 -0.52 0.00 0.00 52.55 54.08 1j4b s ASP 261 Cb 0.11 -2.58 0.24 0.00 -1.46 0.00 0.00 42.92 39.24 1j4b s ASP 261 CO 0.10 -0.44 1.61 -0.29 0.52 0.00 0.00 175.17 176.67 1j4b h ILE 262 N 4.46 0.29 0.08 4.11 6.09 -0.94 0.66 117.51 132.26 1j4b h ILE 262 Ca -0.42 0.00 -0.12 0.00 -1.37 0.00 0.00 64.86 62.95 1j4b h ILE 262 Cb 1.21 0.29 0.01 0.00 0.47 0.00 0.00 36.82 38.81 1j4b h ILE 262 CO 0.80 0.00 -0.55 0.44 -3.07 0.00 0.00 178.15 175.77 1j4b h ASP 263 N -0.03 0.28 -0.00 2.19 3.32 -1.90 -3.41 116.42 116.88 1j4b h ASP 263 Ca 0.31 -0.96 0.00 0.00 0.02 0.00 0.00 57.03 56.41 1j4b h ASP 263 Cb 0.51 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1j4b h ASP 263 CO -0.70 1.26 -0.87 0.49 -1.72 0.00 0.00 179.24 177.70 1j4b n PHE 264 N -4.30 0.00 -1.12 4.55 3.72 -1.14 -4.95 117.46 114.21 1j4b n PHE 264 Ca -0.13 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.06 1j4b n PHE 264 Cb 0.70 0.00 0.17 0.00 -0.94 0.00 0.00 39.48 39.40 1j4b n PHE 264 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1j4b n GLY 265 N 1.46 -2.28 2.64 1.37 0.00 0.23 -4.76 105.19 103.84 1j4b n GLY 265 Ca 0.04 -1.55 -0.40 0.00 0.00 0.00 0.00 46.02 44.11 1j4b n GLY 265 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1j4b n THR 266 N -3.89 3.51 -1.59 2.61 -2.24 0.38 -4.87 114.28 108.19 1j4b n THR 266 Ca 0.11 -2.68 -0.43 0.00 -2.27 0.00 0.00 64.05 58.78 1j4b n THR 266 Cb 0.41 -2.56 0.00 0.00 -2.10 0.00 0.00 70.33 66.08 1j4b n THR 266 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j4b n TYR 267 N 5.40 1.06 1.27 4.78 9.36 -1.26 -2.10 117.16 135.67 1j4b n TYR 267 Ca 0.59 0.61 0.14 0.00 3.32 0.00 0.00 57.90 62.56 1j4b n TYR 267 Cb 0.33 -2.22 0.54 0.00 -0.63 0.00 0.00 39.34 37.37 1j4b n TYR 267 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1j4b n PRO 268 N 0.41 0.48 -1.11 2.98 -0.04 -1.26 -4.53 135.00 131.93 1j4b n PRO 268 Ca 0.10 -0.17 -0.37 0.00 -0.04 0.00 0.00 63.50 63.01 1j4b n PRO 268 Cb 0.37 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.29 1j4b n PRO 268 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1j4b n PHE 269 N -1.11 1.93 -4.18 0.54 3.72 -0.89 -4.75 117.46 112.72 1j4b n PHE 269 Ca 0.12 -2.02 -0.15 0.00 -0.05 0.00 0.00 57.45 55.35 1j4b n PHE 269 Cb 0.30 -1.81 -0.07 0.00 -0.94 0.00 0.00 39.48 36.96 1j4b n PHE 269 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1j4b s VAL 270 N 4.28 0.00 0.61 -4.37 0.11 -1.26 -4.49 120.40 115.28 1j4b s VAL 270 Ca 0.52 -1.82 -0.00 0.00 -2.93 0.00 0.00 61.98 57.74 1j4b s VAL 270 Cb 0.13 -2.52 0.06 0.00 -1.53 0.00 0.00 36.38 32.52 1j4b s VAL 270 CO 0.05 0.00 0.86 0.28 -3.33 0.00 0.00 175.10 172.95 1j4b s THR 271 N -3.54 2.49 -2.31 5.04 -1.32 0.31 -4.98 115.64 111.32 1j4b s THR 271 Ca 0.36 -0.60 0.28 0.00 -1.21 0.00 0.00 61.69 60.52 1j4b s THR 271 Cb 0.02 -2.89 0.53 0.00 -1.51 0.00 0.00 72.50 68.65 1j4b s THR 271 CO 0.20 0.00 1.76 -1.20 -2.21 0.00 0.00 174.62 173.17 1j4b n SER 272 N -2.53 1.28 -4.71 8.08 7.64 -1.26 -3.46 113.62 118.65 1j4b n SER 272 Ca 0.10 -1.33 -0.23 0.00 1.01 0.00 0.00 58.87 58.42 1j4b n SER 272 Cb 0.60 0.02 -0.06 0.00 -1.01 0.00 0.00 64.21 63.76 1j4b n SER 272 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1j4b s SER 273 N -2.10 4.86 -0.30 6.43 0.01 -1.26 -4.79 113.70 116.54 1j4b s SER 273 Ca 0.36 -0.55 -0.26 0.00 1.31 0.00 0.00 55.95 56.81 1j4b s SER 273 Cb 0.21 -0.98 0.01 0.00 0.21 0.00 0.00 66.02 65.46 1j4b s SER 273 CO 0.37 -0.07 0.90 0.20 0.41 0.00 0.00 173.24 175.05 1j4b s ASN 274 N -3.76 6.79 -0.07 2.44 0.02 -1.26 -0.70 114.94 118.40 1j4b s ASN 274 Ca 0.33 0.86 0.19 0.00 -1.02 0.00 0.00 52.86 53.22 1j4b s ASN 274 Cb -0.06 -2.46 0.65 0.00 0.02 0.00 0.00 41.25 39.39 1j4b s ASN 274 CO 0.22 -0.70 1.56 0.00 0.02 0.00 0.00 177.10 178.20 1j4b s THR 276 N -1.56 2.27 0.43 0.00 -4.23 -1.26 -4.50 115.64 106.80 1j4b s THR 276 Ca 0.47 -1.30 0.20 0.00 -1.18 0.00 0.00 61.69 59.89 1j4b s THR 276 Cb 0.29 -2.57 0.40 0.00 1.34 0.00 0.00 72.50 71.96 1j4b s THR 276 CO 0.25 0.00 1.83 1.62 -0.54 0.00 0.00 174.62 177.79 1j4b h VAL 277 N 0.75 0.61 -0.74 2.29 3.04 -1.88 -0.96 116.25 119.36 1j4b h VAL 277 Ca -0.38 -0.12 0.04 0.00 -1.01 0.00 0.00 66.70 65.24 1j4b h VAL 277 Cb 1.28 0.24 -0.04 0.00 -2.01 0.00 0.00 31.29 30.76 1j4b h VAL 277 CO 0.53 0.06 0.48 1.23 -1.01 0.00 0.00 177.57 178.87 1j4b h GLY 278 N 0.34 1.01 2.00 3.17 0.00 -1.95 -0.42 103.07 107.22 1j4b h GLY 278 Ca 0.51 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1j4b h GLY 278 CO -0.18 0.29 0.00 -1.33 0.00 0.00 0.00 176.54 175.31 1j4b h GLY 279 N 0.87 0.00 1.38 4.60 0.00 -1.42 -0.33 103.07 108.16 1j4b h GLY 279 Ca 0.30 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.41 1j4b h GLY 279 CO -0.09 0.00 -0.84 -2.08 0.00 0.00 0.00 176.54 173.53 1j4b h VAL 280 N 0.00 1.33 -0.21 4.60 2.07 -1.18 0.50 116.25 123.36 1j4b h VAL 280 Ca 0.00 -2.16 -0.09 0.00 0.82 0.00 0.00 66.70 65.27 1j4b h VAL 280 Cb 0.11 2.17 -0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1j4b h VAL 280 CO 0.00 0.66 -0.22 0.00 0.02 0.00 0.00 177.57 178.03 1j4b h THR 282 N 0.19 0.59 0.00 0.00 1.35 -1.46 0.33 112.91 113.92 1j4b h THR 282 Ca 0.03 -1.78 0.00 0.00 -0.55 0.00 0.00 66.41 64.11 1j4b h THR 282 Cb 0.78 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 1j4b h THR 282 CO 0.05 0.33 -0.58 0.61 -0.25 0.00 0.00 175.52 175.68 1j4b n GLY 283 N 1.10 -1.35 0.00 5.82 0.00 0.17 -4.40 105.19 106.53 1j4b n GLY 283 Ca 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1j4b n GLY 283 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j4b n LEU 284 N -1.88 0.00 -0.19 0.99 4.77 -0.91 -2.39 117.00 117.40 1j4b n LEU 284 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1j4b n LEU 284 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1j4b n LEU 284 CO 0.36 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1j4b n GLY 285 N 2.04 0.75 3.25 -0.72 0.00 0.10 -4.56 105.19 106.06 1j4b n GLY 285 Ca 0.00 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 1j4b n GLY 285 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1j4b s ILE 286 N -2.37 1.98 0.70 -0.61 -4.36 -1.16 -4.93 121.20 110.45 1j4b s ILE 286 Ca 0.00 -1.03 -0.16 0.00 -0.26 0.00 0.00 60.65 59.21 1j4b s ILE 286 Cb 0.00 -1.67 0.02 0.00 1.25 0.00 0.00 42.46 42.06 1j4b s ILE 286 CO 0.00 0.55 1.20 -2.16 0.24 0.00 0.00 174.94 174.77 1j4b s PRO 287 N -0.18 2.34 0.61 0.37 0.04 -1.26 -4.42 135.00 132.51 1j4b s PRO 287 Ca -0.02 1.75 0.28 0.00 0.04 0.00 0.00 61.00 63.04 1j4b s PRO 287 Cb -0.13 -1.86 1.44 0.00 0.04 0.00 0.00 34.50 33.99 1j4b s PRO 287 CO 0.03 -1.68 1.84 -1.00 0.04 0.00 0.00 177.00 176.24 1j4b h PRO 288 N -0.05 0.00 0.00 0.56 0.13 -1.97 0.43 132.00 131.10 1j4b h PRO 288 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1j4b h PRO 288 Cb 1.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 1j4b h PRO 288 CO 0.51 0.00 -0.06 -0.56 -0.23 0.00 0.00 178.00 177.66 1j4b h GLN 289 N 0.00 0.00 -0.58 0.86 -0.00 -1.99 -2.56 115.11 110.84 1j4b h GLN 289 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.82 1j4b h GLN 289 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.65 1j4b h GLN 289 CO -0.00 0.06 0.00 0.09 -0.00 0.00 0.00 178.83 178.97 1j4b n ASN 290 N -3.15 2.15 -4.28 0.06 5.03 0.14 -4.73 115.26 110.49 1j4b n ASN 290 Ca 0.01 -2.18 -0.35 0.00 0.87 0.00 0.00 54.58 52.93 1j4b n ASN 290 Cb 0.40 -0.39 -0.14 0.00 -1.02 0.00 0.00 39.78 38.63 1j4b n ASN 290 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1j4b s ILE 291 N -1.64 3.26 0.00 2.41 1.01 -0.97 0.28 121.20 125.55 1j4b s ILE 291 Ca 0.19 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.22 1j4b s ILE 291 Cb 0.13 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 40.07 1j4b s ILE 291 CO 0.09 0.36 0.00 0.61 0.00 0.00 0.00 174.94 176.00 1j4b n GLY 292 N 4.77 0.24 3.72 6.18 0.00 0.05 -4.83 105.19 115.32 1j4b n GLY 292 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1j4b n GLY 292 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j4b s ASP 293 N -0.72 7.09 -0.29 1.61 1.11 -1.24 -4.94 116.67 119.28 1j4b s ASP 293 Ca 0.00 2.12 0.01 0.00 0.18 0.00 0.00 52.55 54.85 1j4b s ASP 293 Cb 0.00 -2.59 0.09 0.00 1.07 0.00 0.00 42.92 41.49 1j4b s ASP 293 CO 0.00 -0.42 0.05 -0.69 1.18 0.00 0.00 175.17 175.29 1j4b s VAL 294 N 0.53 1.37 -0.04 -1.27 1.01 -1.26 -0.49 120.40 120.26 1j4b s VAL 294 Ca 0.56 -1.56 -0.20 0.00 0.00 0.00 0.00 61.98 60.78 1j4b s VAL 294 Cb -0.31 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 1j4b s VAL 294 CO 0.32 -0.50 0.59 -0.31 0.00 0.00 0.00 175.10 175.20 1j4b s TYR 295 N 1.39 3.62 -0.26 5.22 2.02 -0.20 -1.07 117.35 128.08 1j4b s TYR 295 Ca 0.06 1.13 -0.11 0.00 -0.37 0.00 0.00 57.07 57.78 1j4b s TYR 295 Cb -0.18 -2.63 -0.05 0.00 -0.40 0.00 0.00 41.96 38.70 1j4b s TYR 295 CO -0.15 0.26 0.19 0.20 -1.57 0.00 0.00 175.55 174.48 1j4b s GLY 296 N 0.19 1.95 -0.31 0.71 0.00 -0.43 -1.72 107.32 107.72 1j4b s GLY 296 Ca 0.31 -0.99 -0.19 0.00 0.00 0.00 0.00 44.72 43.85 1j4b s GLY 296 CO 0.16 0.57 0.56 0.14 0.00 0.00 0.00 173.10 174.52 1j4b s VAL 297 N 1.49 5.00 -0.08 1.40 1.01 0.34 -1.37 120.40 128.19 1j4b s VAL 297 Ca 0.08 0.70 0.04 0.00 0.00 0.00 0.00 61.98 62.79 1j4b s VAL 297 Cb -0.15 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1j4b s VAL 297 CO 0.08 -0.09 -0.20 0.54 0.00 0.00 0.00 175.10 175.43 1j4b s VAL 298 N 2.45 1.76 0.35 2.92 0.11 -0.17 -1.18 120.40 126.64 1j4b s VAL 298 Ca 0.22 -0.85 -0.23 0.00 -2.93 0.00 0.00 61.98 58.19 1j4b s VAL 298 Cb -0.15 -1.54 -0.10 0.00 -1.53 0.00 0.00 36.38 33.06 1j4b s VAL 298 CO 0.11 0.49 0.91 -0.75 -3.33 0.00 0.00 175.10 172.53 1j4b s LYS 299 N 0.39 4.37 0.00 1.54 2.20 -1.26 -0.76 119.74 126.23 1j4b s LYS 299 Ca -0.16 1.15 0.03 0.00 -0.36 0.00 0.00 55.97 56.63 1j4b s LYS 299 Cb -0.17 -2.55 0.12 0.00 -1.51 0.00 0.00 37.83 33.72 1j4b s LYS 299 CO 0.07 0.17 1.06 0.00 -0.36 0.00 0.00 175.35 176.29 1j4b n ALA 300 N 0.07 1.16 -2.94 3.13 0.00 0.86 -4.65 120.51 118.14 1j4b n ALA 300 Ca 0.03 -0.01 -0.11 0.00 0.00 0.00 0.00 53.44 53.36 1j4b n ALA 300 Cb 0.52 -1.05 -0.06 0.00 0.00 0.00 0.00 19.45 18.86 1j4b n ALA 300 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1j4b s TYR 301 N -2.93 0.64 -0.12 0.00 1.13 -1.26 -4.41 117.35 110.40 1j4b s TYR 301 Ca 0.02 -0.95 -0.04 0.00 -1.41 0.00 0.00 57.07 54.68 1j4b s TYR 301 Cb 0.02 0.00 -0.04 0.00 -1.10 0.00 0.00 41.96 40.84 1j4b s TYR 301 CO 0.05 -0.95 0.05 0.99 -2.51 0.00 0.00 175.55 173.17 1j4b s THR 302 N -3.86 4.72 0.26 -3.49 2.01 -0.31 -4.80 115.64 110.16 1j4b s THR 302 Ca 0.27 -0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.22 1j4b s THR 302 Cb 0.01 -3.04 -0.05 0.00 0.01 0.00 0.00 72.50 69.43 1j4b s THR 302 CO 0.12 0.58 0.03 0.42 -0.69 0.00 0.00 174.62 175.07 1j4b s THR 303 N -0.64 1.00 -0.19 -0.82 -4.23 -1.26 -0.06 115.64 109.45 1j4b s THR 303 Ca 0.11 -2.02 -0.29 0.00 -1.18 0.00 0.00 61.69 58.31 1j4b s THR 303 Cb -0.12 -2.51 0.13 0.00 1.34 0.00 0.00 72.50 71.34 1j4b s THR 303 CO 0.02 -0.19 1.03 -0.60 -0.54 0.00 0.00 174.62 174.35 1j4b s ARG 304 N -3.90 0.54 -0.08 3.99 3.52 -0.54 -4.41 118.95 118.07 1j4b s ARG 304 Ca 0.32 0.21 0.03 0.00 -0.13 0.00 0.00 55.73 56.16 1j4b s ARG 304 Cb 0.07 0.25 -0.02 0.00 -1.56 0.00 0.00 34.95 33.69 1j4b s ARG 304 CO 0.11 -0.15 -0.16 0.14 -0.81 0.00 0.00 175.30 174.43 1j4b s VAL 305 N -0.85 2.84 0.00 7.11 -7.23 -1.26 -0.40 120.40 120.61 1j4b s VAL 305 Ca -0.00 -0.78 0.00 0.00 -1.81 0.00 0.00 61.98 59.39 1j4b s VAL 305 Cb -0.01 -2.13 0.00 0.00 0.56 0.00 0.00 36.38 34.80 1j4b s VAL 305 CO -0.01 0.56 0.00 0.61 -0.31 0.00 0.00 175.10 175.96 1j4b n GLY 306 N 2.85 -1.49 3.28 2.32 0.00 -1.26 -4.97 105.19 105.92 1j4b n GLY 306 Ca -0.18 -1.54 -0.36 0.00 0.00 0.00 0.00 46.02 43.95 1j4b n GLY 306 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1j4b n ILE 307 N -1.56 0.57 0.00 -0.61 2.08 -1.26 -4.95 119.36 113.63 1j4b n ILE 307 Ca 0.00 -0.40 0.00 0.00 0.56 0.00 0.00 62.75 62.91 1j4b n ILE 307 Cb 0.00 -0.37 0.00 0.00 -0.75 0.00 0.00 39.64 38.52 1j4b n ILE 307 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1j4b n GLY 308 N 2.31 3.70 3.76 7.39 0.00 -1.26 -4.97 105.19 116.11 1j4b n GLY 308 Ca 0.05 -1.77 -0.37 0.00 0.00 0.00 0.00 46.02 43.93 1j4b n GLY 308 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j4b s ALA 309 N -2.55 2.76 -0.43 4.61 0.00 -1.26 -5.02 121.76 119.88 1j4b s ALA 309 Ca 0.00 1.13 0.05 0.00 0.00 0.00 0.00 51.96 53.15 1j4b s ALA 309 Cb 0.00 -3.49 0.17 0.00 0.00 0.00 0.00 23.12 19.81 1j4b s ALA 309 CO 0.00 -1.14 0.52 0.12 0.00 0.00 0.00 175.76 175.26 1j4b s PHE 310 N -1.45 -0.73 0.24 0.00 2.19 -1.26 -5.01 117.98 111.96 1j4b s PHE 310 Ca 0.72 -0.77 -0.10 0.00 0.33 0.00 0.00 56.93 57.11 1j4b s PHE 310 Cb -0.34 -0.14 0.37 0.00 -1.31 0.00 0.00 43.02 41.59 1j4b s PHE 310 CO 0.40 -1.07 1.62 -1.35 1.83 0.00 0.00 175.22 176.64 1j4b h PRO 311 N 6.27 0.04 -0.67 10.12 0.11 -1.92 -2.53 132.00 143.41 1j4b h PRO 311 Ca 0.09 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1j4b h PRO 311 Cb 1.07 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1j4b h PRO 311 CO 0.15 0.02 0.00 0.25 -0.21 0.00 0.00 178.00 178.22 1j4b n THR 312 N -5.44 1.19 -1.64 -1.15 -2.24 -1.26 -4.73 114.28 99.00 1j4b n THR 312 Ca 0.12 -0.97 -0.44 0.00 -2.27 0.00 0.00 64.05 60.48 1j4b n THR 312 Cb 0.43 0.32 -0.02 0.00 -2.10 0.00 0.00 70.33 68.96 1j4b n THR 312 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1j4b n GLU 313 N 1.32 1.75 -3.93 -0.78 2.13 -0.96 -2.03 120.64 118.14 1j4b n GLU 313 Ca 0.23 0.62 -0.33 0.00 0.66 0.00 0.00 57.16 58.34 1j4b n GLU 313 Cb 0.67 -2.14 -0.14 0.00 0.27 0.00 0.00 31.44 30.10 1j4b n GLU 313 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1j4b s GLN 314 N -1.20 1.73 -1.20 5.31 -1.52 0.52 -4.90 119.66 118.40 1j4b s GLN 314 Ca 0.62 -1.98 -0.10 0.00 -1.95 0.00 0.00 55.36 51.94 1j4b s GLN 314 Cb -0.66 -3.35 0.21 0.00 -0.22 0.00 0.00 33.01 28.98 1j4b s GLN 314 CO 0.57 -1.01 1.52 -0.89 -0.25 0.00 0.00 175.29 175.23 1j4b n ILE 315 N 4.17 4.47 -2.74 1.08 2.08 -1.26 -3.41 119.36 123.76 1j4b n ILE 315 Ca 0.03 -4.89 0.00 0.00 0.56 0.00 0.00 62.75 58.44 1j4b n ILE 315 Cb 0.40 -2.41 0.00 0.00 -0.75 0.00 0.00 39.64 36.89 1j4b n ILE 315 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 1j4b n ASN 316 N 4.11 0.00 -0.28 4.38 0.23 -1.26 -5.00 115.26 117.44 1j4b n ASN 316 Ca 0.34 -0.38 0.05 0.00 -0.53 0.00 0.00 54.58 54.06 1j4b n ASN 316 Cb 0.39 0.00 0.27 0.00 -2.08 0.00 0.00 39.78 38.37 1j4b n ASN 316 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1j4b h GLU 317 N 0.00 0.91 0.15 -3.83 4.11 -1.99 -1.85 114.58 112.08 1j4b h GLU 317 Ca 0.00 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 1j4b h GLU 317 Cb 0.00 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.05 1j4b h GLU 317 CO 0.00 0.61 -0.07 0.82 0.07 0.00 0.00 179.01 180.44 1j4b h ILE 318 N 0.94 0.96 -0.43 -1.06 1.08 -1.96 -1.76 117.51 115.29 1j4b h ILE 318 Ca 0.39 -0.47 0.08 0.00 -0.39 0.00 0.00 64.86 64.46 1j4b h ILE 318 Cb 0.28 1.25 -0.06 0.00 -3.07 0.00 0.00 36.82 35.21 1j4b h ILE 318 CO -0.15 0.11 0.03 1.23 -0.69 0.00 0.00 178.15 178.68 1j4b h GLY 319 N -0.42 0.46 0.71 5.37 0.00 -1.50 0.49 103.07 108.18 1j4b h GLY 319 Ca -0.02 0.02 0.10 0.00 0.00 0.00 0.00 47.33 47.43 1j4b h GLY 319 CO 0.03 -0.08 0.58 -0.55 0.00 0.00 0.00 176.54 176.52 1j4b h ASP 320 N 0.15 0.80 -0.00 0.19 3.32 -1.26 0.15 116.42 119.77 1j4b h ASP 320 Ca 0.21 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 1j4b h ASP 320 Cb 0.29 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 1j4b h ASP 320 CO -0.32 0.47 -0.00 0.25 -1.72 0.00 0.00 179.24 177.92 1j4b h LEU 321 N 0.88 0.00 -1.66 1.55 5.85 -0.21 -0.16 115.31 121.56 1j4b h LEU 321 Ca 0.42 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1j4b h LEU 321 Cb 0.42 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1j4b h LEU 321 CO -0.18 0.35 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.12 1j4b h LEU 322 N -0.35 0.10 -0.12 2.25 3.38 -0.36 0.63 115.31 120.84 1j4b h LEU 322 Ca 0.00 -0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.72 1j4b h LEU 322 Cb 0.35 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.09 1j4b h LEU 322 CO 0.00 0.20 -0.91 -0.61 0.09 0.00 0.00 178.44 177.22 1j4b h GLN 323 N 0.11 0.67 0.04 1.13 4.15 -0.56 -2.40 115.11 118.24 1j4b h GLN 323 Ca 0.02 -0.63 -0.00 0.00 0.77 0.00 0.00 58.65 58.81 1j4b h GLN 323 Cb 0.22 0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.07 1j4b h GLN 323 CO 0.01 1.24 -0.02 -0.91 -1.93 0.00 0.00 178.83 177.22 1j4b h ASN 324 N 0.41 -0.04 0.42 -0.69 2.35 -0.40 -1.73 115.58 115.89 1j4b h ASN 324 Ca -0.09 -0.65 -0.04 0.00 -0.55 0.00 0.00 56.30 54.97 1j4b h ASN 324 Cb 1.54 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.92 1j4b h ASN 324 CO 0.18 0.69 -0.19 0.03 -1.65 0.00 0.00 177.43 176.49 1j4b h ARG 325 N -0.83 0.00 -0.00 0.81 3.08 -1.04 -2.87 114.38 113.53 1j4b h ARG 325 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1j4b h ARG 325 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1j4b h ARG 325 CO 0.01 0.19 -0.66 0.41 -1.07 0.00 0.00 179.97 178.84 1j4b n GLY 326 N -0.57 -0.83 3.67 0.04 0.00 -0.90 -4.88 105.19 101.71 1j4b n GLY 326 Ca -0.02 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.26 1j4b n GLY 326 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1j4b n HIS 327 N -1.12 -2.27 -2.62 1.61 8.25 -0.72 -4.85 115.22 113.50 1j4b n HIS 327 Ca 0.06 0.91 -0.43 0.00 -0.26 0.00 0.00 57.72 58.01 1j4b n HIS 327 Cb 0.36 -4.58 0.00 0.00 1.12 0.00 0.00 29.99 26.89 1j4b n HIS 327 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1j4b n GLU 328 N -4.49 3.23 -3.64 -0.41 -0.58 -0.80 -4.91 120.64 109.04 1j4b n GLU 328 Ca -0.15 -3.38 -0.15 0.00 -0.42 0.00 0.00 57.16 53.06 1j4b n GLU 328 Cb 0.62 -3.38 -0.07 0.00 -0.57 0.00 0.00 31.44 28.04 1j4b n GLU 328 CO 0.00 0.00 0.00 1.67 -0.48 0.00 0.00 177.13 178.32 1j4b s TRP 329 N 3.54 -0.39 0.12 -0.32 -2.14 -1.26 0.04 118.94 118.53 1j4b s TRP 329 Ca 0.51 0.57 -0.35 0.00 2.66 0.00 0.00 56.10 59.49 1j4b s TRP 329 Cb 0.03 0.25 -0.17 0.00 -3.10 0.00 0.00 33.47 30.49 1j4b s TRP 329 CO 0.05 -0.53 1.18 0.41 -2.66 0.00 0.00 176.95 175.41 1j4b n GLY 330 N 0.90 0.07 0.22 3.67 0.00 0.26 -4.84 105.19 105.46 1j4b n GLY 330 Ca -0.20 0.61 0.09 0.00 0.00 0.00 0.00 46.02 46.53 1j4b n GLY 330 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1j4b h VAL 331 N 2.86 0.56 0.00 1.61 3.04 -1.95 -2.21 116.25 120.15 1j4b h VAL 331 Ca -0.45 -1.21 -0.15 0.00 -1.01 0.00 0.00 66.70 63.88 1j4b h VAL 331 Cb 1.36 1.83 -0.03 0.00 -2.01 0.00 0.00 31.29 32.44 1j4b h VAL 331 CO 0.71 0.23 -1.57 0.35 -1.01 0.00 0.00 177.57 176.29 1j4b n THR 332 N -3.36 0.57 0.03 3.17 -2.24 -1.26 -4.78 114.28 106.40 1j4b n THR 332 Ca 0.00 -0.27 -0.22 0.00 -2.27 0.00 0.00 64.05 61.29 1j4b n THR 332 Cb 0.46 -0.83 -0.14 0.00 -2.10 0.00 0.00 70.33 67.72 1j4b n THR 332 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1j4b h THR 333 N 0.00 0.80 0.00 4.28 1.35 -1.96 -3.48 112.91 113.89 1j4b h THR 333 Ca -0.22 -2.40 0.00 0.00 -0.55 0.00 0.00 66.41 63.24 1j4b h THR 333 Cb 1.41 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 70.44 1j4b h THR 333 CO -0.02 0.84 0.00 0.61 -0.25 0.00 0.00 175.52 176.70 1j4b n GLY 334 N 1.89 0.20 3.68 5.82 0.00 -0.83 -4.98 105.19 110.98 1j4b n GLY 334 Ca -0.29 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.28 1j4b n GLY 334 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j4b n ARG 335 N -1.92 2.18 -2.49 1.61 5.12 -1.26 -4.35 116.66 115.55 1j4b n ARG 335 Ca 0.00 0.78 -0.38 0.00 -1.93 0.00 0.00 57.85 56.32 1j4b n ARG 335 Cb 0.00 -2.53 -0.04 0.00 -1.16 0.00 0.00 32.46 28.73 1j4b n ARG 335 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1j4b s LYS 336 N 0.51 4.32 0.15 5.56 1.02 -1.26 0.89 119.74 130.93 1j4b s LYS 336 Ca 0.75 1.66 -0.10 0.00 0.02 0.00 0.00 55.97 58.30 1j4b s LYS 336 Cb -0.65 -2.79 -0.06 0.00 -0.52 0.00 0.00 37.83 33.80 1j4b s LYS 336 CO 0.41 -0.03 0.47 1.03 -0.92 0.00 0.00 175.35 176.31 1j4b s ARG 337 N -2.09 3.78 0.22 1.68 0.52 0.11 -4.87 118.95 118.30 1j4b s ARG 337 Ca 0.53 0.21 -0.30 0.00 -0.52 0.00 0.00 55.73 55.65 1j4b s ARG 337 Cb -0.27 -2.84 -0.08 0.00 0.52 0.00 0.00 34.95 32.28 1j4b s ARG 337 CO 0.34 0.45 1.16 1.03 0.02 0.00 0.00 175.30 178.29 1j4b s ARG 338 N -2.37 4.54 0.05 3.54 0.52 0.46 -4.84 118.95 120.85 1j4b s ARG 338 Ca 0.40 1.84 0.09 0.00 -0.52 0.00 0.00 55.73 57.55 1j4b s ARG 338 Cb -0.13 -3.22 -0.03 0.00 0.52 0.00 0.00 34.95 32.09 1j4b s ARG 338 CO 0.21 0.02 -0.25 0.00 0.02 0.00 0.00 175.30 175.29 1j4b s GLY 340 N -1.29 0.85 0.76 0.00 0.00 0.92 -0.36 107.32 108.20 1j4b s GLY 340 Ca 0.11 -1.08 -0.12 0.00 0.00 0.00 0.00 44.72 43.64 1j4b s GLY 340 CO 0.02 -0.63 1.11 -0.98 0.00 0.00 0.00 173.10 172.62 1j4b s TRP 341 N -2.84 2.46 0.58 1.90 0.52 -0.86 -1.16 118.94 119.53 1j4b s TRP 341 Ca 0.22 1.58 -0.20 0.00 0.02 0.00 0.00 56.10 57.73 1j4b s TRP 341 Cb -0.03 -3.13 -0.05 0.00 -1.15 0.00 0.00 33.47 29.11 1j4b s TRP 341 CO 0.15 -1.92 1.11 -0.11 0.02 0.00 0.00 176.95 176.20 1j4b n LEU 342 N -3.29 4.35 -3.84 2.99 7.94 -1.26 -3.75 117.00 120.15 1j4b n LEU 342 Ca 0.10 0.87 -0.29 0.00 -1.11 0.00 0.00 56.01 55.58 1j4b n LEU 342 Cb 0.52 -1.45 -0.16 0.00 0.53 0.00 0.00 43.42 42.86 1j4b n LEU 342 CO 0.51 -1.40 -0.40 -0.62 -1.11 0.00 0.00 177.39 174.38 1j4b s ASP 343 N -1.14 3.40 0.51 1.96 -1.08 -1.26 -1.83 116.67 117.23 1j4b s ASP 343 Ca 0.75 -1.00 0.30 0.00 -0.52 0.00 0.00 52.55 52.07 1j4b s ASP 343 Cb -0.43 -0.90 1.09 0.00 -1.46 0.00 0.00 42.92 41.22 1j4b s ASP 343 CO 0.48 -0.27 1.88 -0.07 0.52 0.00 0.00 175.17 177.71 1j4b h LEU 344 N 8.09 0.00 -0.37 -1.34 3.38 -1.26 -2.76 115.31 121.06 1j4b h LEU 344 Ca -0.17 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1j4b h LEU 344 Cb 1.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1j4b h LEU 344 CO 0.38 0.03 0.05 0.24 0.09 0.00 0.00 178.44 179.23 1j4b h MET 345 N 0.00 0.62 -0.08 1.13 2.86 -1.80 -0.78 114.93 116.88 1j4b h MET 345 Ca -0.00 -0.17 -0.23 0.00 -2.06 0.00 0.00 59.70 57.24 1j4b h MET 345 Cb 0.65 -0.07 0.01 0.00 0.06 0.00 0.00 31.60 32.25 1j4b h MET 345 CO 0.00 0.69 -0.87 -0.84 1.06 0.00 0.00 176.91 176.95 1j4b h ILE 346 N 0.46 1.30 -0.75 -1.22 -0.00 -1.95 -2.75 117.51 112.60 1j4b h ILE 346 Ca 0.11 -2.13 0.07 0.00 -0.00 0.00 0.00 64.86 62.92 1j4b h ILE 346 Cb 0.37 2.16 -0.06 0.00 -0.00 0.00 0.00 36.82 39.29 1j4b h ILE 346 CO 0.01 0.66 0.43 -0.07 -0.00 0.00 0.00 178.15 179.18 1j4b h LEU 347 N 0.43 0.64 -0.26 0.16 4.07 -1.31 0.25 115.31 119.29 1j4b h LEU 347 Ca -0.08 0.03 -0.20 0.00 0.08 0.00 0.00 57.88 57.72 1j4b h LEU 347 Cb 1.50 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 43.15 1j4b h LEU 347 CO 0.17 0.39 -0.65 0.03 -1.08 0.00 0.00 178.44 177.31 1j4b h ARG 348 N 0.77 0.82 -0.18 1.13 3.08 -1.19 -2.71 114.38 116.10 1j4b h ARG 348 Ca 0.35 -0.58 0.02 0.00 0.07 0.00 0.00 59.98 59.84 1j4b h ARG 348 Cb 0.25 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 1j4b h ARG 348 CO -0.21 1.20 0.03 -0.92 -1.07 0.00 0.00 179.97 179.00 1j4b h TYR 349 N 0.60 0.04 -0.83 3.04 3.20 -1.07 0.13 116.97 122.08 1j4b h TYR 349 Ca -0.01 0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.02 1j4b h TYR 349 Cb 1.26 0.01 -0.06 0.00 1.54 0.00 0.00 36.73 39.48 1j4b h TYR 349 CO 0.08 0.01 0.54 0.00 -1.64 0.00 0.00 178.16 177.15 1j4b h ALA 350 N 1.14 2.00 -0.13 1.82 0.00 -0.46 -2.25 119.26 121.38 1j4b h ALA 350 Ca 0.08 0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.78 1j4b h ALA 350 Cb 0.08 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1j4b h ALA 350 CO -0.12 -0.23 -0.76 1.25 0.00 0.00 0.00 179.25 179.39 1j4b h HIS 351 N 0.53 1.01 -0.98 0.00 -0.00 -0.75 -0.74 115.15 114.22 1j4b h HIS 351 Ca 0.41 -0.46 0.10 0.00 -0.00 0.00 0.00 60.37 60.43 1j4b h HIS 351 Cb 0.83 -0.15 -0.08 0.00 -0.00 0.00 0.00 27.41 28.01 1j4b h HIS 351 CO -0.00 1.29 0.62 0.52 -0.00 0.00 0.00 177.93 180.35 1j4b h MET 352 N 0.45 0.98 0.00 5.26 2.07 -0.46 0.46 114.93 123.70 1j4b h MET 352 Ca -0.06 -0.06 -0.13 0.00 -2.07 0.00 0.00 59.70 57.38 1j4b h MET 352 Cb 1.40 -0.22 0.01 0.00 -1.87 0.00 0.00 31.60 30.92 1j4b h MET 352 CO 0.16 0.65 -0.50 0.28 1.07 0.00 0.00 176.91 178.57 1j4b h VAL 353 N 1.01 1.46 0.00 -2.22 2.07 -1.43 -3.39 116.25 113.76 1j4b h VAL 353 Ca 0.47 -2.05 -0.07 0.00 0.82 0.00 0.00 66.70 65.88 1j4b h VAL 353 Cb 0.40 2.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.81 1j4b h VAL 353 CO -0.24 0.59 -1.53 0.59 0.02 0.00 0.00 177.57 176.99 1j4b n ASN 354 N -4.30 0.51 -3.43 0.57 3.02 -0.29 -4.75 115.26 106.59 1j4b n ASN 354 Ca -0.10 0.21 -0.20 0.00 -0.03 0.00 0.00 54.58 54.45 1j4b n ASN 354 Cb 0.63 0.93 0.06 0.00 -0.61 0.00 0.00 39.78 40.78 1j4b n ASN 354 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j4b n GLY 355 N 1.30 -0.96 3.73 7.41 0.00 0.16 -4.82 105.19 112.01 1j4b n GLY 355 Ca -0.06 0.46 -0.38 0.00 0.00 0.00 0.00 46.02 46.04 1j4b n GLY 355 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1j4b n PHE 356 N -3.68 2.14 -0.05 1.61 0.99 -1.26 -4.80 117.46 112.41 1j4b n PHE 356 Ca -0.12 0.43 0.00 0.00 -0.00 0.00 0.00 57.45 57.76 1j4b n PHE 356 Cb 0.62 -2.33 -0.13 0.00 -1.00 0.00 0.00 39.48 36.64 1j4b n PHE 356 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1j4b n THR 357 N -1.21 0.59 -3.47 4.37 -2.24 -0.23 -4.96 114.28 107.14 1j4b n THR 357 Ca 0.11 -0.55 -0.14 0.00 -2.27 0.00 0.00 64.05 61.20 1j4b n THR 357 Cb 0.45 -0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.40 1j4b n THR 357 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j4b s ALA 358 N -2.79 -1.68 0.36 6.98 0.00 -1.24 -4.45 121.76 118.93 1j4b s ALA 358 Ca -0.07 0.85 0.08 0.00 0.00 0.00 0.00 51.96 52.83 1j4b s ALA 358 Cb 0.08 0.49 -0.06 0.00 0.00 0.00 0.00 23.12 23.64 1j4b s ALA 358 CO 0.70 -0.60 0.05 -0.51 0.00 0.00 0.00 175.76 175.39 1j4b s LEU 359 N -2.11 3.01 -0.26 0.00 1.43 0.21 -1.31 118.68 119.65 1j4b s LEU 359 Ca -0.03 -1.03 -0.00 0.00 -1.03 0.00 0.00 54.13 52.03 1j4b s LEU 359 Cb -0.01 -1.35 0.08 0.00 0.03 0.00 0.00 46.19 44.95 1j4b s LEU 359 CO -0.04 -0.31 0.03 0.00 0.23 0.00 0.00 176.35 176.26 1j4b s ALA 360 N -2.55 1.65 -0.30 4.21 0.00 -0.47 -0.82 121.76 123.48 1j4b s ALA 360 Ca 0.36 -1.40 -0.21 0.00 0.00 0.00 0.00 51.96 50.71 1j4b s ALA 360 Cb 0.01 -1.48 -0.01 0.00 0.00 0.00 0.00 23.12 21.64 1j4b s ALA 360 CO 0.20 -1.40 0.65 -1.17 0.00 0.00 0.00 175.76 174.04 1j4b s LEU 361 N 1.55 4.13 0.24 0.00 2.96 0.12 -1.00 118.68 126.67 1j4b s LEU 361 Ca 0.02 0.48 0.09 0.00 -0.22 0.00 0.00 54.13 54.50 1j4b s LEU 361 Cb -0.18 -2.85 -0.04 0.00 0.50 0.00 0.00 46.19 43.62 1j4b s LEU 361 CO -0.13 -0.49 0.03 0.42 -1.32 0.00 0.00 176.35 174.86 1j4b s THR 362 N 2.64 3.67 -1.86 3.68 -4.23 0.06 0.76 115.64 120.36 1j4b s THR 362 Ca 0.26 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 1j4b s THR 362 Cb -0.15 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.76 1j4b s THR 362 CO 0.12 -0.30 0.00 0.29 -0.54 0.00 0.00 174.62 174.18 1j4b n LYS 363 N -0.73 -1.52 0.19 3.99 5.02 -1.10 -0.10 118.16 123.91 1j4b n LYS 363 Ca -0.08 1.06 0.13 0.00 -2.02 0.00 0.00 58.31 57.41 1j4b n LYS 363 Cb 0.58 -5.57 0.72 0.00 -0.02 0.00 0.00 35.03 30.74 1j4b n LYS 363 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1j4b h LEU 364 N 0.00 0.00 -1.69 -0.35 5.85 -1.68 -0.82 115.31 116.63 1j4b h LEU 364 Ca -0.45 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.23 1j4b h LEU 364 Cb 1.33 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 1j4b h LEU 364 CO 0.57 0.00 -0.18 -2.24 -0.34 0.00 0.00 178.44 176.25 1j4b h ASP 365 N 0.00 0.00 -0.69 1.25 3.04 -1.86 -1.96 116.42 116.20 1j4b h ASP 365 Ca 0.08 0.00 0.16 0.00 -3.24 0.00 0.00 57.03 54.03 1j4b h ASP 365 Cb 0.34 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.59 1j4b h ASP 365 CO -0.00 0.18 0.48 0.40 -2.04 0.00 0.00 179.24 178.26 1j4b h ILE 366 N 0.00 0.75 -0.01 4.15 1.08 -1.48 -0.06 117.51 121.94 1j4b h ILE 366 Ca -0.00 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 1j4b h ILE 366 Cb 0.36 0.50 0.00 0.00 -3.07 0.00 0.00 36.82 34.61 1j4b h ILE 366 CO 0.02 0.04 -0.04 0.18 -0.69 0.00 0.00 178.15 177.66 1j4b n LEU 367 N -4.43 1.03 -0.06 1.44 4.77 -0.74 -4.23 117.00 114.79 1j4b n LEU 367 Ca 0.13 -0.32 0.24 0.00 -0.03 0.00 0.00 56.01 56.03 1j4b n LEU 367 Cb 0.60 -0.04 0.71 0.00 -2.33 0.00 0.00 43.42 42.37 1j4b n LEU 367 CO 0.35 0.18 1.21 0.44 -1.33 0.00 0.00 177.39 178.24 1j4b h ASP 368 N 1.56 0.00 1.24 -1.43 3.32 -1.08 -2.10 116.42 117.93 1j4b h ASP 368 Ca 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1j4b h ASP 368 Cb 0.39 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1j4b h ASP 368 CO 0.00 0.00 -0.77 0.58 -1.72 0.00 0.00 179.24 177.33 1j4b h VAL 369 N 0.00 1.20 -4.03 -1.35 2.07 -1.79 -2.59 116.25 109.76 1j4b h VAL 369 Ca 0.31 -2.72 -0.52 0.00 0.82 0.00 0.00 66.70 64.59 1j4b h VAL 369 Cb 1.29 2.59 0.09 0.00 -1.52 0.00 0.00 31.29 33.74 1j4b h VAL 369 CO -0.00 0.69 0.52 -0.76 0.02 0.00 0.00 177.57 178.03 1j4b s LEU 370 N -6.53 3.91 0.00 2.57 1.43 -0.79 -4.85 118.68 114.42 1j4b s LEU 370 Ca 0.02 2.46 -0.00 0.00 -1.03 0.00 0.00 54.13 55.58 1j4b s LEU 370 Cb 0.09 -4.31 -0.26 0.00 0.03 0.00 0.00 46.19 41.74 1j4b s LEU 370 CO 0.78 -1.22 0.86 -1.28 0.23 0.00 0.00 176.35 175.72 1j4b h SER 371 N 1.69 0.30 -3.51 2.29 0.87 -1.91 -3.34 113.55 109.94 1j4b h SER 371 Ca -0.50 -0.44 -0.09 0.00 -1.23 0.00 0.00 61.79 59.53 1j4b h SER 371 Cb 1.27 -0.10 -0.24 0.00 -0.44 0.00 0.00 62.40 62.89 1j4b h SER 371 CO 0.58 1.37 -0.19 -1.83 -0.53 0.00 0.00 176.83 176.24 1j4b s GLU 372 N -2.62 0.52 -0.10 2.24 -1.05 -1.26 -0.93 118.70 115.49 1j4b s GLU 372 Ca -0.08 0.80 -0.03 0.00 -0.15 0.00 0.00 54.97 55.51 1j4b s GLU 372 Cb 0.07 0.14 -0.03 0.00 -0.44 0.00 0.00 34.13 33.86 1j4b s GLU 372 CO 0.84 -0.12 0.02 0.42 0.95 0.00 0.00 175.26 177.38 1j4b s ILE 373 N 0.91 4.48 -0.13 1.83 -1.09 0.65 -4.81 121.20 123.05 1j4b s ILE 373 Ca -0.05 -0.18 -0.06 0.00 -2.23 0.00 0.00 60.65 58.13 1j4b s ILE 373 Cb -0.06 -2.91 -0.04 0.00 -1.58 0.00 0.00 42.46 37.87 1j4b s ILE 373 CO -0.08 0.59 0.11 -0.54 -1.23 0.00 0.00 174.94 173.79 1j4b s LYS 374 N -0.73 3.47 -0.03 2.79 1.02 -1.26 -0.04 119.74 124.96 1j4b s LYS 374 Ca 0.12 -0.20 0.00 0.00 0.02 0.00 0.00 55.97 55.91 1j4b s LYS 374 Cb -0.12 -3.15 0.03 0.00 -0.52 0.00 0.00 37.83 34.08 1j4b s LYS 374 CO 0.02 0.69 0.01 0.14 -0.92 0.00 0.00 175.35 175.29 1j4b s VAL 375 N -0.78 0.16 0.06 3.17 -7.23 -0.54 -4.16 120.40 111.08 1j4b s VAL 375 Ca 0.13 0.11 -0.31 0.00 -1.81 0.00 0.00 61.98 60.11 1j4b s VAL 375 Cb -0.12 -0.27 -0.06 0.00 0.56 0.00 0.00 36.38 36.49 1j4b s VAL 375 CO 0.03 0.15 1.27 -0.83 -0.31 0.00 0.00 175.10 175.41 1j4b s GLY 376 N 1.13 2.21 -0.02 2.32 0.00 -0.76 -1.36 107.32 110.84 1j4b s GLY 376 Ca -0.08 0.91 0.08 0.00 0.00 0.00 0.00 44.72 45.63 1j4b s GLY 376 CO -0.02 2.19 0.16 0.29 0.00 0.00 0.00 173.10 175.72 1j4b n ILE 377 N 4.06 0.07 -3.90 0.90 -5.35 -0.05 -0.73 119.36 114.36 1j4b n ILE 377 Ca 0.10 -0.21 -0.09 0.00 -0.27 0.00 0.00 62.75 62.28 1j4b n ILE 377 Cb 0.45 0.16 -0.05 0.00 -1.74 0.00 0.00 39.64 38.46 1j4b n ILE 377 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1j4b s SER 378 N -3.08 -0.13 -0.03 7.28 1.04 -1.21 -4.56 113.70 113.01 1j4b s SER 378 Ca -0.03 -0.75 0.07 0.00 0.48 0.00 0.00 55.95 55.72 1j4b s SER 378 Cb 0.05 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.71 1j4b s SER 378 CO 0.34 -1.08 -0.24 -0.31 0.98 0.00 0.00 173.24 172.92 1j4b s TYR 379 N -3.96 2.39 -0.13 5.02 2.02 -1.26 -1.14 117.35 120.29 1j4b s TYR 379 Ca 0.16 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.47 1j4b s TYR 379 Cb -0.00 -1.52 0.02 0.00 -0.40 0.00 0.00 41.96 40.05 1j4b s TYR 379 CO 0.03 -0.01 -0.14 -1.59 -1.57 0.00 0.00 175.55 172.27 1j4b s LYS 380 N -0.62 2.24 0.00 -0.62 -2.85 -0.77 -1.40 119.74 115.72 1j4b s LYS 380 Ca 0.10 -0.55 0.00 0.00 -1.00 0.00 0.00 55.97 54.52 1j4b s LYS 380 Cb -0.10 -2.01 0.00 0.00 -2.06 0.00 0.00 37.83 33.66 1j4b s LYS 380 CO -0.01 -0.18 0.05 -0.11 0.10 0.00 0.00 175.35 175.20 1j4b n LEU 381 N 4.58 2.48 -2.68 2.77 7.94 0.23 -1.69 117.00 130.62 1j4b n LEU 381 Ca -0.17 0.09 -0.30 0.00 -1.11 0.00 0.00 56.01 54.52 1j4b n LEU 381 Cb 0.50 -0.05 0.00 0.00 0.53 0.00 0.00 43.42 44.41 1j4b n LEU 381 CO 0.22 -0.05 0.50 0.59 -1.11 0.00 0.00 177.39 177.54 1j4b n ASN 382 N -0.64 5.33 0.00 1.96 3.02 -1.26 -4.64 115.26 119.03 1j4b n ASN 382 Ca 0.00 -3.74 0.00 0.00 -0.03 0.00 0.00 54.58 50.81 1j4b n ASN 382 Cb 0.00 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.55 1j4b n ASN 382 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j4b n GLY 383 N -0.44 3.37 3.87 7.41 0.00 -1.26 -5.05 105.19 113.09 1j4b n GLY 383 Ca 0.41 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.09 1j4b n GLY 383 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j4b s LYS 384 N -0.74 3.71 -0.46 1.61 -2.85 -1.26 -5.02 119.74 114.73 1j4b s LYS 384 Ca 0.00 0.09 -0.24 0.00 -1.00 0.00 0.00 55.97 54.83 1j4b s LYS 384 Cb 0.00 -2.99 0.03 0.00 -2.06 0.00 0.00 37.83 32.81 1j4b s LYS 384 CO 0.00 0.56 0.83 0.50 0.10 0.00 0.00 175.35 177.34 1j4b s ARG 385 N -1.99 3.44 0.00 1.78 3.52 -1.26 -0.60 118.95 123.84 1j4b s ARG 385 Ca 0.33 -0.03 -0.12 0.00 -0.13 0.00 0.00 55.73 55.78 1j4b s ARG 385 Cb -0.14 -3.94 -0.05 0.00 -1.56 0.00 0.00 34.95 29.26 1j4b s ARG 385 CO 0.19 -1.16 0.36 0.96 -0.81 0.00 0.00 175.30 174.84 1j4b s ILE 386 N 3.44 5.13 -2.22 4.11 -4.36 -0.49 -4.99 121.20 121.82 1j4b s ILE 386 Ca 0.32 0.61 0.26 0.00 -0.26 0.00 0.00 60.65 61.58 1j4b s ILE 386 Cb -0.11 -3.64 0.35 0.00 1.25 0.00 0.00 42.46 40.31 1j4b s ILE 386 CO 0.24 0.50 1.57 -0.81 0.24 0.00 0.00 174.94 176.67 1j4b n PRO 387 N 1.56 1.37 -4.14 0.37 -0.04 -1.26 -4.27 135.00 128.60 1j4b n PRO 387 Ca -0.13 -0.88 -0.23 0.00 -0.04 0.00 0.00 63.50 62.22 1j4b n PRO 387 Cb 0.53 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 1j4b n PRO 387 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1j4b s TYR 388 N -2.24 2.78 -0.25 0.54 1.13 -1.26 -5.06 117.35 112.99 1j4b s TYR 388 Ca 0.30 -0.29 -0.20 0.00 -1.41 0.00 0.00 57.07 55.47 1j4b s TYR 388 Cb 0.20 -1.48 -0.02 0.00 -1.10 0.00 0.00 41.96 39.56 1j4b s TYR 388 CO 0.42 0.44 0.63 0.12 -2.51 0.00 0.00 175.55 174.66 1j4b s PHE 389 N -2.34 3.29 0.23 -3.49 5.36 -1.26 -4.98 117.98 114.78 1j4b s PHE 389 Ca 0.35 0.83 -0.32 0.00 -0.96 0.00 0.00 56.93 56.84 1j4b s PHE 389 Cb -0.05 -2.84 -0.13 0.00 -0.34 0.00 0.00 43.02 39.66 1j4b s PHE 389 CO 0.22 -0.31 1.42 -2.30 -1.46 0.00 0.00 175.22 172.80 1j4b n PRO 390 N 5.65 2.04 0.06 10.12 -0.02 -1.26 -4.93 135.00 146.66 1j4b n PRO 390 Ca -0.01 0.73 -0.14 0.00 -2.02 0.00 0.00 63.50 62.06 1j4b n PRO 390 Cb 0.49 -2.39 -0.14 0.00 -0.02 0.00 0.00 33.50 31.44 1j4b n PRO 390 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j4b h ALA 391 N 4.39 0.31 -2.59 3.55 0.00 -1.97 -3.45 119.26 119.50 1j4b h ALA 391 Ca -0.45 -1.06 -0.55 0.00 0.00 0.00 0.00 54.91 52.85 1j4b h ALA 391 Cb 1.27 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 1j4b h ALA 391 CO 0.77 1.18 -0.43 1.21 0.00 0.00 0.00 179.25 181.98 1j4b s ASN 392 N -6.86 6.36 0.08 0.00 3.84 -1.26 -4.61 114.94 112.49 1j4b s ASN 392 Ca -0.05 0.25 -0.23 0.00 0.21 0.00 0.00 52.86 53.04 1j4b s ASN 392 Cb 0.08 -1.95 -0.16 0.00 -0.55 0.00 0.00 41.25 38.67 1j4b s ASN 392 CO 0.85 0.04 1.69 1.56 -2.79 0.00 0.00 177.10 178.45 1j4b h GLN 393 N 2.23 -0.01 -0.59 0.43 1.08 -1.92 -1.75 115.11 114.58 1j4b h GLN 393 Ca -0.48 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 56.84 1j4b h GLN 393 Cb 1.19 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.53 1j4b h GLN 393 CO 0.69 0.04 0.06 0.93 -0.95 0.00 0.00 178.83 179.60 1j4b h GLU 394 N -0.06 0.17 -0.16 1.46 3.07 -1.98 0.62 114.58 117.71 1j4b h GLU 394 Ca -0.00 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.78 1j4b h GLU 394 Cb 0.06 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1j4b h GLU 394 CO 0.00 0.11 -0.16 0.82 -1.40 0.00 0.00 179.01 178.39 1j4b h ILE 395 N 0.18 1.34 -0.97 3.13 1.08 -1.97 -3.04 117.51 117.26 1j4b h ILE 395 Ca 0.31 -1.32 0.08 0.00 -0.39 0.00 0.00 64.86 63.54 1j4b h ILE 395 Cb 0.49 1.85 -0.07 0.00 -3.07 0.00 0.00 36.82 36.02 1j4b h ILE 395 CO -0.46 0.39 0.62 0.25 -0.69 0.00 0.00 178.15 178.26 1j4b h LEU 396 N 0.02 0.97 -1.44 1.44 5.85 -0.74 0.19 115.31 121.60 1j4b h LEU 396 Ca 0.03 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1j4b h LEU 396 Cb 0.69 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1j4b h LEU 396 CO 0.04 0.60 -0.18 -0.61 -0.34 0.00 0.00 178.44 177.95 1j4b h GLN 397 N 1.09 0.00 0.00 1.25 5.75 -0.90 -3.08 115.11 119.21 1j4b h GLN 397 Ca 0.43 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.93 1j4b h GLN 397 Cb 0.24 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.79 1j4b h GLN 397 CO -0.18 0.18 -0.27 0.87 -2.65 0.00 0.00 178.83 176.78 1j4b h LYS 398 N 0.00 0.00 -6.90 1.69 1.57 -0.84 -3.47 116.57 108.61 1j4b h LYS 398 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1j4b h LYS 398 Cb 0.58 0.00 0.08 0.00 0.08 0.00 0.00 32.23 32.97 1j4b h LYS 398 CO 0.02 0.00 0.68 0.14 -0.57 0.00 0.00 179.45 179.72 1j4b s VAL 399 N -3.23 2.52 -0.20 0.50 -7.23 -1.04 -4.88 120.40 106.84 1j4b s VAL 399 Ca 0.06 0.52 -0.07 0.00 -1.81 0.00 0.00 61.98 60.68 1j4b s VAL 399 Cb 0.07 -3.33 -0.04 0.00 0.56 0.00 0.00 36.38 33.65 1j4b s VAL 399 CO 0.69 0.12 0.05 -1.61 -0.31 0.00 0.00 175.10 174.04 1j4b s GLU 400 N -1.91 3.83 0.21 4.82 0.41 -0.68 -4.94 118.70 120.43 1j4b s GLU 400 Ca 0.51 -0.41 -0.30 0.00 -0.41 0.00 0.00 54.97 54.35 1j4b s GLU 400 Cb -0.42 -3.19 -0.08 0.00 -1.78 0.00 0.00 34.13 28.66 1j4b s GLU 400 CO 0.56 0.14 1.02 0.08 -0.49 0.00 0.00 175.26 176.56 1j4b s VAL 401 N 0.72 3.95 -0.26 2.63 1.01 -1.26 -1.85 120.40 125.34 1j4b s VAL 401 Ca 0.02 1.83 -0.11 0.00 0.00 0.00 0.00 61.98 63.73 1j4b s VAL 401 Cb -0.14 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 1j4b s VAL 401 CO 0.02 0.38 0.17 -0.70 0.00 0.00 0.00 175.10 174.98 1j4b s GLU 402 N -0.86 4.02 0.26 2.72 2.12 -0.29 -4.97 118.70 121.70 1j4b s GLU 402 Ca 0.45 -0.29 0.07 0.00 0.36 0.00 0.00 54.97 55.56 1j4b s GLU 402 Cb -0.28 -3.59 -0.03 0.00 0.26 0.00 0.00 34.13 30.49 1j4b s GLU 402 CO 0.34 -0.05 0.21 0.71 -0.54 0.00 0.00 175.26 175.94 1j4b s TYR 403 N 1.37 3.09 -0.16 5.30 2.02 -1.26 -0.87 117.35 126.83 1j4b s TYR 403 Ca 0.07 -0.13 -0.00 0.00 -0.37 0.00 0.00 57.07 56.63 1j4b s TYR 403 Cb -0.15 -1.45 0.04 0.00 -0.40 0.00 0.00 41.96 40.00 1j4b s TYR 403 CO 0.07 0.48 -0.05 -2.00 -1.57 0.00 0.00 175.55 172.48 1j4b s GLU 404 N -3.86 1.44 -0.23 -0.62 2.56 -0.46 -4.87 118.70 112.65 1j4b s GLU 404 Ca 0.34 -0.51 -0.17 0.00 0.00 0.00 0.00 54.97 54.63 1j4b s GLU 404 Cb -0.08 -2.00 -0.03 0.00 2.00 0.00 0.00 34.13 34.03 1j4b s GLU 404 CO 0.25 -0.43 0.47 0.99 -0.56 0.00 0.00 175.26 175.99 1j4b s THR 405 N 1.63 5.12 0.18 -1.70 2.01 -1.26 -1.46 115.64 120.16 1j4b s THR 405 Ca 0.01 0.82 0.08 0.00 0.31 0.00 0.00 61.69 62.91 1j4b s THR 405 Cb -0.15 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 1j4b s THR 405 CO -0.08 0.15 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.21 1j4b s LEU 406 N 1.90 3.18 0.25 4.42 1.43 0.95 -4.96 118.68 125.84 1j4b s LEU 406 Ca 0.21 -0.48 -0.27 0.00 -1.03 0.00 0.00 54.13 52.56 1j4b s LEU 406 Cb -0.15 -1.84 -0.09 0.00 0.03 0.00 0.00 46.19 44.14 1j4b s LEU 406 CO 0.09 0.09 0.89 -2.16 0.23 0.00 0.00 176.35 175.50 1j4b s PRO 407 N -2.93 4.67 0.71 1.29 0.04 -1.26 -0.25 135.00 137.27 1j4b s PRO 407 Ca 0.27 1.33 -0.09 0.00 0.04 0.00 0.00 61.00 62.54 1j4b s PRO 407 Cb -0.09 -3.09 0.04 0.00 0.04 0.00 0.00 34.50 31.40 1j4b s PRO 407 CO 0.17 0.44 1.06 0.20 0.04 0.00 0.00 177.00 178.92 1j4b s GLY 408 N -1.35 1.63 0.01 0.56 0.00 -0.10 -4.69 107.32 103.37 1j4b s GLY 408 Ca 0.43 -0.64 0.24 0.00 0.00 0.00 0.00 44.72 44.75 1j4b s GLY 408 CO 0.27 -0.24 1.25 -2.67 0.00 0.00 0.00 173.10 171.71 1j4b n TRP 409 N -2.99 0.04 -4.08 1.90 2.14 -1.26 -4.87 117.44 108.32 1j4b n TRP 409 Ca 0.07 0.01 -0.34 0.00 2.07 0.00 0.00 57.50 59.31 1j4b n TRP 409 Cb 0.59 -0.22 -0.04 0.00 -0.81 0.00 0.00 31.31 30.83 1j4b n TRP 409 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 1j4b n LYS 410 N -1.56 -0.65 -3.61 -2.67 5.02 -1.20 -4.93 118.16 108.55 1j4b n LYS 410 Ca 0.05 0.03 -0.13 0.00 -2.02 0.00 0.00 58.31 56.24 1j4b n LYS 410 Cb 0.35 -2.63 -0.06 0.00 -0.02 0.00 0.00 35.03 32.67 1j4b n LYS 410 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1j4b s ALA 411 N -3.99 -1.19 -0.09 7.82 0.00 -0.98 -5.00 121.76 118.33 1j4b s ALA 411 Ca 0.20 0.48 -0.30 0.00 0.00 0.00 0.00 51.96 52.34 1j4b s ALA 411 Cb -0.11 0.37 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 1j4b s ALA 411 CO 0.87 -0.48 1.28 0.34 0.00 0.00 0.00 175.76 177.76 1j4b s ASP 412 N -1.98 6.96 0.00 0.00 3.68 -1.26 -4.61 116.67 119.46 1j4b s ASP 412 Ca -0.05 1.83 0.09 0.00 2.13 0.00 0.00 52.55 56.55 1j4b s ASP 412 Cb -0.01 -2.55 0.07 0.00 -1.45 0.00 0.00 42.92 38.98 1j4b s ASP 412 CO -0.02 -0.69 0.78 0.35 0.13 0.00 0.00 175.17 175.72 1j4b n THR 413 N 4.96 0.00 0.17 1.71 -2.24 -1.26 -4.65 114.28 112.97 1j4b n THR 413 Ca 0.13 -0.50 0.19 0.00 -2.27 0.00 0.00 64.05 61.60 1j4b n THR 413 Cb 0.45 1.19 0.79 0.00 -2.10 0.00 0.00 70.33 70.66 1j4b n THR 413 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1j4b h THR 414 N 1.77 0.35 -0.00 4.28 1.35 -1.91 -0.27 112.91 118.49 1j4b h THR 414 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1j4b h THR 414 Cb 0.38 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 1j4b h THR 414 CO 0.00 0.00 -0.50 0.61 -0.25 0.00 0.00 175.52 175.38 1j4b n GLY 415 N -1.42 -1.12 3.75 5.82 0.00 -1.26 -4.80 105.19 106.16 1j4b n GLY 415 Ca 0.04 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 1j4b n GLY 415 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j4b n ALA 416 N -1.36 1.97 -1.09 4.61 0.00 -0.11 -4.91 120.51 119.61 1j4b n ALA 416 Ca 0.06 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1j4b n ALA 416 Cb 0.34 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.41 1j4b n ALA 416 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1j4b n ARG 417 N -0.05 0.00 -3.68 0.00 5.12 -1.26 -4.82 116.66 111.98 1j4b n ARG 417 Ca 0.05 -0.43 -0.10 0.00 -1.93 0.00 0.00 57.85 55.43 1j4b n ARG 417 Cb 0.41 -0.46 -0.05 0.00 -1.16 0.00 0.00 32.46 31.20 1j4b n ARG 417 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1j4b s LYS 418 N 0.00 1.08 0.20 5.56 1.02 -1.26 -4.85 119.74 121.50 1j4b s LYS 418 Ca 0.00 -0.77 -0.11 0.00 0.02 0.00 0.00 55.97 55.11 1j4b s LYS 418 Cb 0.00 0.46 0.14 0.00 -0.52 0.00 0.00 37.83 37.91 1j4b s LYS 418 CO 0.00 -0.42 1.86 2.35 -0.92 0.00 0.00 175.35 178.22 1j4b h TRP 419 N 2.39 0.90 0.00 3.18 2.91 -1.97 -1.63 115.95 121.74 1j4b h TRP 419 Ca -0.33 0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.70 1j4b h TRP 419 Cb 1.25 -0.30 0.00 0.00 -0.51 0.00 0.00 29.16 29.60 1j4b h TRP 419 CO 0.34 0.58 0.00 0.39 -1.03 0.00 0.00 178.44 178.72 1j4b n GLU 420 N -4.57 0.13 0.07 2.65 4.71 -1.26 -2.16 120.64 120.20 1j4b n GLU 420 Ca 0.06 0.58 -0.22 0.00 -0.01 0.00 0.00 57.16 57.58 1j4b n GLU 420 Cb 0.03 -1.89 -0.15 0.00 -1.01 0.00 0.00 31.44 28.42 1j4b n GLU 420 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1j4b h ASP 421 N 0.00 0.56 -2.33 1.62 3.32 -1.70 -3.46 116.42 114.43 1j4b h ASP 421 Ca 0.00 -0.93 -0.61 0.00 0.02 0.00 0.00 57.03 55.51 1j4b h ASP 421 Cb 0.07 -0.18 0.08 0.00 0.22 0.00 0.00 39.33 39.52 1j4b h ASP 421 CO 0.00 1.51 0.51 0.18 -1.72 0.00 0.00 179.24 179.72 1j4b n LEU 422 N -3.98 2.50 -4.73 1.55 4.77 -0.92 -4.92 117.00 111.26 1j4b n LEU 422 Ca -0.16 1.13 -0.32 0.00 -0.03 0.00 0.00 56.01 56.63 1j4b n LEU 422 Cb 0.91 -1.34 0.11 0.00 -2.33 0.00 0.00 43.42 40.77 1j4b n LEU 422 CO 0.51 -0.77 0.72 -2.16 -1.33 0.00 0.00 177.39 174.35 1j4b s PRO 423 N -0.21 1.95 0.38 3.23 0.04 -1.26 -4.70 135.00 134.43 1j4b s PRO 423 Ca 0.72 1.41 0.20 0.00 0.04 0.00 0.00 61.00 63.37 1j4b s PRO 423 Cb -0.74 -1.84 1.18 0.00 0.04 0.00 0.00 34.50 33.14 1j4b s PRO 423 CO 0.49 -1.91 1.68 -1.00 0.04 0.00 0.00 177.00 176.30 1j4b h PRO 424 N -1.04 0.28 0.00 0.56 0.13 -1.97 -0.29 132.00 129.66 1j4b h PRO 424 Ca -0.45 -0.02 -0.16 0.00 -0.87 0.00 0.00 66.00 64.51 1j4b h PRO 424 Cb 1.25 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1j4b h PRO 424 CO 0.48 0.19 -0.76 1.96 -0.23 0.00 0.00 178.00 179.64 1j4b h GLN 425 N 0.29 0.00 -0.21 0.86 7.50 -1.90 -2.50 115.11 119.15 1j4b h GLN 425 Ca 0.72 0.00 -0.11 0.00 0.50 0.00 0.00 58.65 59.76 1j4b h GLN 425 Cb 1.86 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 29.39 1j4b h GLN 425 CO -0.47 0.76 -0.31 0.00 -1.50 0.00 0.00 178.83 177.31 1j4b h ALA 426 N 1.24 0.32 -0.73 3.87 0.00 -1.42 -0.67 119.26 121.88 1j4b h ALA 426 Ca -0.01 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.53 1j4b h ALA 426 Cb 1.54 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 1j4b h ALA 426 CO 0.10 0.35 0.48 1.96 0.00 0.00 0.00 179.25 182.13 1j4b h GLN 427 N 0.26 0.86 -0.50 0.00 4.20 -1.37 -1.06 115.11 117.49 1j4b h GLN 427 Ca 0.02 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.57 1j4b h GLN 427 Cb 0.89 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 1j4b h GLN 427 CO 0.07 0.57 -0.11 0.77 -0.67 0.00 0.00 178.83 179.46 1j4b h SER 428 N 0.88 0.96 -0.60 1.46 0.02 -1.17 -0.98 113.55 114.13 1j4b h SER 428 Ca 0.29 -0.36 0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1j4b h SER 428 Cb 0.05 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 1j4b h SER 428 CO -0.08 1.09 0.40 0.22 -1.14 0.00 0.00 176.83 177.32 1j4b h TYR 429 N 0.81 0.72 -0.01 3.45 3.20 0.07 0.10 116.97 125.32 1j4b h TYR 429 Ca 0.13 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 1j4b h TYR 429 Cb 0.67 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 1j4b h TYR 429 CO 0.05 0.44 -0.01 0.28 -1.64 0.00 0.00 178.16 177.28 1j4b h VAL 430 N 0.77 1.41 -0.45 1.81 2.07 -0.85 -2.88 116.25 118.14 1j4b h VAL 430 Ca 0.23 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 1j4b h VAL 430 Cb -0.03 2.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1j4b h VAL 430 CO -0.05 0.32 0.22 0.03 0.02 0.00 0.00 177.57 178.11 1j4b h ARG 431 N -0.49 0.61 -0.54 1.57 3.08 -0.80 -1.44 114.38 116.37 1j4b h ARG 431 Ca 0.00 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.04 1j4b h ARG 431 Cb 0.52 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.40 1j4b h ARG 431 CO 0.00 0.47 0.26 0.35 -1.07 0.00 0.00 179.97 179.99 1j4b h PHE 432 N 0.62 0.48 -0.38 3.04 3.57 -0.75 0.29 116.94 123.81 1j4b h PHE 432 Ca 0.16 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.53 1j4b h PHE 432 Cb 0.05 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1j4b h PHE 432 CO 0.00 0.22 -0.37 0.28 -2.23 0.00 0.00 178.31 176.21 1j4b h VAL 433 N 0.50 1.27 -0.29 1.41 2.07 -1.15 -2.26 116.25 117.81 1j4b h VAL 433 Ca 0.24 -1.54 -0.04 0.00 0.82 0.00 0.00 66.70 66.18 1j4b h VAL 433 Cb 0.18 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1j4b h VAL 433 CO -0.18 0.51 0.02 -0.33 0.02 0.00 0.00 177.57 177.61 1j4b h GLU 434 N 0.73 0.50 0.64 1.57 5.08 -0.67 -2.55 114.58 119.88 1j4b h GLU 434 Ca 0.06 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1j4b h GLU 434 Cb 0.95 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.16 1j4b h GLU 434 CO 0.09 0.63 -0.31 -0.91 -1.00 0.00 0.00 179.01 177.52 1j4b h ASN 435 N 0.30 -0.73 0.39 1.42 2.35 -0.42 0.52 115.58 119.41 1j4b h ASN 435 Ca 0.08 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1j4b h ASN 435 Cb 0.40 0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.96 1j4b h ASN 435 CO 0.01 -0.45 0.00 1.41 -1.65 0.00 0.00 177.43 176.75 1j4b n HIS 436 N -5.42 0.34 -0.08 1.19 8.25 -0.86 -2.52 115.22 116.12 1j4b n HIS 436 Ca -0.13 0.15 -0.09 0.00 -0.26 0.00 0.00 57.72 57.39 1j4b n HIS 436 Cb 0.36 -0.74 -0.12 0.00 1.12 0.00 0.00 29.99 30.62 1j4b n HIS 436 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1j4b n MET 437 N -1.82 1.25 -0.58 -0.41 2.81 -0.96 -4.90 117.12 112.51 1j4b n MET 437 Ca 0.02 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 1j4b n MET 437 Cb 0.13 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.24 1j4b n MET 437 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1j4b n GLY 438 N 2.13 0.78 3.39 3.03 0.00 0.18 -5.00 105.19 109.71 1j4b n GLY 438 Ca -0.28 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 1j4b n GLY 438 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j4b s VAL 439 N -3.02 2.71 0.44 1.61 1.01 -1.14 -5.01 120.40 117.00 1j4b s VAL 439 Ca 0.00 -0.84 -0.22 0.00 0.00 0.00 0.00 61.98 60.93 1j4b s VAL 439 Cb 0.00 -2.05 -0.09 0.00 0.00 0.00 0.00 36.38 34.24 1j4b s VAL 439 CO 0.00 0.57 1.01 0.00 0.00 0.00 0.00 175.10 176.68 1j4b s ALA 440 N -0.37 2.98 -0.25 5.51 0.00 -1.26 -4.31 121.76 124.06 1j4b s ALA 440 Ca 0.03 0.56 -0.18 0.00 0.00 0.00 0.00 51.96 52.37 1j4b s ALA 440 Cb -0.12 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 1j4b s ALA 440 CO 0.02 -0.13 0.51 0.08 0.00 0.00 0.00 175.76 176.24 1j4b s VAL 441 N -1.96 5.08 -0.10 0.00 1.01 -1.26 -0.62 120.40 122.56 1j4b s VAL 441 Ca 0.63 0.88 0.22 0.00 0.00 0.00 0.00 61.98 63.70 1j4b s VAL 441 Cb -0.15 -3.82 -0.32 0.00 0.00 0.00 0.00 36.38 32.09 1j4b s VAL 441 CO 0.19 0.11 0.53 1.17 0.00 0.00 0.00 175.10 177.11 1j4b n LYS 442 N 5.37 0.62 -3.85 2.72 4.81 -0.00 -4.62 118.16 123.21 1j4b n LYS 442 Ca -0.04 -0.17 -0.15 0.00 -0.87 0.00 0.00 58.31 57.07 1j4b n LYS 442 Cb 0.50 -1.53 -0.16 0.00 0.02 0.00 0.00 35.03 33.86 1j4b n LYS 442 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1j4b s TRP 443 N -3.48 0.12 -0.19 5.64 0.51 -1.09 -0.61 118.94 119.83 1j4b s TRP 443 Ca -0.07 0.06 0.00 0.00 -2.12 0.00 0.00 56.10 53.98 1j4b s TRP 443 Cb 0.14 -0.24 0.01 0.00 -0.81 0.00 0.00 33.47 32.57 1j4b s TRP 443 CO 0.90 -0.08 -0.17 0.08 -0.51 0.00 0.00 176.95 177.17 1j4b s VAL 444 N 0.82 2.30 -0.15 4.03 1.01 0.07 0.12 120.40 128.60 1j4b s VAL 444 Ca -0.07 -0.86 -0.14 0.00 0.00 0.00 0.00 61.98 60.91 1j4b s VAL 444 Cb -0.10 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 1j4b s VAL 444 CO -0.02 0.52 0.29 -0.83 0.00 0.00 0.00 175.10 175.06 1j4b s GLY 445 N 1.30 2.22 -0.04 4.51 0.00 0.23 -1.04 107.32 114.50 1j4b s GLY 445 Ca 0.05 -0.45 0.07 0.00 0.00 0.00 0.00 44.72 44.38 1j4b s GLY 445 CO -0.11 0.40 0.97 3.33 0.00 0.00 0.00 173.10 177.70 1j4b n VAL 446 N 3.48 0.81 -3.16 1.40 0.24 -0.21 -1.97 118.33 118.92 1j4b n VAL 446 Ca -0.12 -0.95 0.00 0.00 -2.04 0.00 0.00 64.34 61.23 1j4b n VAL 446 Cb 0.52 0.33 0.00 0.00 -1.47 0.00 0.00 33.84 33.22 1j4b n VAL 446 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j4b n GLY 447 N -0.58 1.26 0.00 7.63 0.00 -1.25 -4.25 105.19 108.01 1j4b n GLY 447 Ca 0.05 -0.77 0.09 0.00 0.00 0.00 0.00 46.02 45.40 1j4b n GLY 447 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j4b n LYS 448 N 0.00 0.69 -2.92 1.61 4.01 -1.26 -4.86 118.16 115.43 1j4b n LYS 448 Ca 0.00 -0.10 -0.24 0.00 -0.51 0.00 0.00 58.31 57.47 1j4b n LYS 448 Cb 0.00 -1.42 0.01 0.00 -0.51 0.00 0.00 35.03 33.11 1j4b n LYS 448 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1j4b s SER 449 N -3.57 5.84 0.21 4.39 1.04 -1.26 -5.00 113.70 115.36 1j4b s SER 449 Ca -0.01 0.37 -0.09 0.00 0.48 0.00 0.00 55.95 56.70 1j4b s SER 449 Cb 0.13 -1.60 0.22 0.00 0.10 0.00 0.00 66.02 64.87 1j4b s SER 449 CO 0.79 -0.72 1.84 -0.09 0.98 0.00 0.00 173.24 176.03 1j4b h ARG 450 N 0.34 0.80 -0.04 4.02 2.43 -1.96 -1.56 114.38 118.41 1j4b h ARG 450 Ca -0.46 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 58.67 1j4b h ARG 450 Cb 1.25 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1j4b h ARG 450 CO 0.58 0.53 0.04 1.05 -1.51 0.00 0.00 179.97 180.66 1j4b h GLU 451 N 0.83 0.00 0.00 0.20 4.11 -2.00 -1.08 114.58 116.64 1j4b h GLU 451 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.73 1j4b h GLU 451 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1j4b h GLU 451 CO -0.14 0.00 0.00 0.43 0.07 0.00 0.00 179.01 179.37 1j4b n SER 452 N -4.27 0.00 -4.35 3.06 7.64 -0.59 -4.23 113.62 110.89 1j4b n SER 452 Ca -0.02 0.46 -0.46 0.00 1.01 0.00 0.00 58.87 59.86 1j4b n SER 452 Cb 0.13 -0.48 -0.01 0.00 -1.01 0.00 0.00 64.21 62.84 1j4b n SER 452 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1j4b s MET 453 N -2.96 3.86 0.21 1.43 -2.45 -0.41 -1.04 119.30 117.94 1j4b s MET 453 Ca 0.10 -2.70 -0.31 0.00 -1.25 0.00 0.00 55.69 51.53 1j4b s MET 453 Cb 0.12 -4.56 -0.10 0.00 1.25 0.00 0.00 34.83 31.55 1j4b s MET 453 CO 0.34 -1.34 1.50 0.42 1.05 0.00 0.00 175.02 176.99 1j4b s ILE 454 N -0.09 2.63 -0.25 10.11 -1.09 -0.21 -4.79 121.20 127.50 1j4b s ILE 454 Ca 0.25 0.49 -0.12 0.00 -2.23 0.00 0.00 60.65 59.04 1j4b s ILE 454 Cb -0.09 -3.31 -0.05 0.00 -1.58 0.00 0.00 42.46 37.43 1j4b s ILE 454 CO -0.08 0.06 0.25 -1.58 -1.23 0.00 0.00 174.94 172.36 1j4b s GLN 455 N 0.32 4.04 0.14 2.79 0.74 -1.26 -0.75 119.66 125.68 1j4b s GLN 455 Ca 0.64 -0.14 0.25 0.00 0.05 0.00 0.00 55.36 56.16 1j4b s GLN 455 Cb -0.43 -3.60 0.45 0.00 1.10 0.00 0.00 33.01 30.53 1j4b s GLN 455 CO 0.38 -0.10 1.42 1.28 -0.55 0.00 0.00 175.29 177.73 1j4b n LEU 456 N 4.77 0.73 0.00 3.68 4.77 0.22 -4.83 117.00 126.34 1j4b n LEU 456 Ca -0.12 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1j4b n LEU 456 Cb 0.52 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1j4b n LEU 456 CO 0.36 -0.09 0.00 2.22 -1.33 0.00 0.00 177.39 178.55