#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jr1 h LEU -4 N 0.00 0.22 -0.18 1.20 3.38 -2.05 -1.42 115.31 116.46 3jr1 h LEU -4 Ca 0.00 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3jr1 h LEU -4 Cb 0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3jr1 h LEU -4 CO 0.00 0.54 0.07 1.88 0.09 0.00 0.00 178.44 181.02 3jr1 h TYR -3 N 0.19 0.28 -0.52 1.13 0.05 -2.02 -0.44 116.97 115.65 3jr1 h TYR -3 Ca 0.03 -0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.70 3jr1 h TYR -3 Cb 0.67 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 38.31 3jr1 h TYR -3 CO 0.01 0.33 -0.00 0.74 -1.05 0.00 0.00 178.16 178.19 3jr1 h PHE -2 N 0.14 1.00 -0.95 4.88 0.04 -1.96 -2.70 116.94 117.39 3jr1 h PHE -2 Ca 0.06 -0.17 0.00 0.00 2.80 0.00 0.00 57.97 60.66 3jr1 h PHE -2 Cb 0.17 -0.26 -0.05 0.00 2.20 0.00 0.00 35.95 38.01 3jr1 h PHE -2 CO -0.01 0.93 0.61 1.96 -0.60 0.00 0.00 178.31 181.19 3jr1 h GLN -1 N 0.79 1.28 -1.38 1.51 4.20 -1.17 -2.01 115.11 118.33 3jr1 h GLN -1 Ca 0.15 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3jr1 h GLN -1 Cb 0.53 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3jr1 h GLN -1 CO 0.03 0.87 0.00 0.41 -0.67 0.00 0.00 178.83 179.46 3jr1 n GLY 0 N -1.30 0.54 0.00 3.46 0.00 -0.18 -1.79 105.19 105.91 3jr1 n GLY 0 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3jr1 n GLY 0 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3jr1 n TRP 2 N 0.74 0.00 -0.02 1.61 7.02 -0.75 -0.56 117.44 125.48 3jr1 n TRP 2 Ca 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.38 3jr1 n TRP 2 Cb 0.13 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 28.97 3jr1 n TRP 2 CO 0.00 0.00 0.00 -0.22 -2.02 0.00 0.00 177.69 175.45 3jr1 h LYS 3 N 0.00 0.19 -0.72 -0.99 1.63 -1.61 0.20 116.57 115.28 3jr1 h LYS 3 Ca 0.00 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.74 3jr1 h LYS 3 Cb 0.00 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.56 3jr1 h LYS 3 CO 0.00 0.13 0.27 0.77 -3.45 0.00 0.00 179.45 177.17 3jr1 h SER 4 N 0.20 1.01 -0.38 4.20 0.02 -1.10 -0.93 113.55 116.58 3jr1 h SER 4 Ca 0.06 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 3jr1 h SER 4 Cb -0.02 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 3jr1 h SER 4 CO -0.02 0.92 0.15 0.40 -1.14 0.00 0.00 176.83 177.14 3jr1 h ILE 5 N 1.04 1.19 -0.86 3.27 2.04 -1.73 -1.66 117.51 120.80 3jr1 h ILE 5 Ca 0.24 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.53 3jr1 h ILE 5 Cb 0.24 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.15 3jr1 h ILE 5 CO -0.02 0.21 0.56 0.28 0.00 0.00 0.00 178.15 179.19 3jr1 h SER 6 N 0.46 0.96 -0.62 1.72 0.02 -0.26 -1.55 113.55 114.28 3jr1 h SER 6 Ca 0.13 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 3jr1 h SER 6 Cb 0.18 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 3jr1 h SER 6 CO -0.01 0.68 0.28 -0.61 -1.14 0.00 0.00 176.83 176.03 3jr1 h GLN 7 N 1.13 0.90 -0.55 3.45 4.15 -0.89 -0.33 115.11 122.97 3jr1 h GLN 7 Ca 0.32 -0.15 -0.12 0.00 0.77 0.00 0.00 58.65 59.48 3jr1 h GLN 7 Cb -0.08 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.43 3jr1 h GLN 7 CO -0.09 0.74 -0.11 0.28 -1.93 0.00 0.00 178.83 177.73 3jr1 h VAL 8 N 0.85 1.27 -0.07 2.39 2.07 -0.96 -2.76 116.25 119.04 3jr1 h VAL 8 Ca 0.21 -1.27 -0.09 0.00 0.82 0.00 0.00 66.70 66.37 3jr1 h VAL 8 Cb 0.15 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3jr1 h VAL 8 CO -0.02 0.45 -0.37 -0.07 0.02 0.00 0.00 177.57 177.58 3jr1 h LEU 9 N 0.93 0.13 -0.37 2.57 3.38 -0.96 -1.74 115.31 119.25 3jr1 h LEU 9 Ca 0.14 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3jr1 h LEU 9 Cb 0.68 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3jr1 h LEU 9 CO 0.05 0.50 0.15 0.00 0.09 0.00 0.00 178.44 179.23 3jr1 h ALA 10 N 1.51 0.48 -0.68 1.53 0.00 -0.93 0.21 119.26 121.38 3jr1 h ALA 10 Ca 0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3jr1 h ALA 10 Cb 0.72 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3jr1 h ALA 10 CO 0.05 0.08 0.32 1.05 0.00 0.00 0.00 179.25 180.75 3jr1 h GLU 11 N 0.46 0.99 0.62 0.00 9.09 -1.19 -1.00 114.58 123.56 3jr1 h GLU 11 Ca 0.12 -0.15 -0.03 0.00 0.05 0.00 0.00 59.36 59.35 3jr1 h GLU 11 Cb 0.17 -0.18 0.01 0.00 -1.65 0.00 0.00 28.75 27.11 3jr1 h GLU 11 CO -0.01 0.79 -0.30 0.37 0.05 0.00 0.00 179.01 179.91 3jr1 h GLN 12 N 0.96 -0.80 -0.13 1.06 5.75 -0.97 -3.28 115.11 117.69 3jr1 h GLN 12 Ca 0.23 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.79 3jr1 h GLN 12 Cb 0.13 0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.87 3jr1 h GLN 12 CO -0.03 -0.49 0.00 1.19 -2.65 0.00 0.00 178.83 176.85 3jr1 n PHE 13 N -5.38 0.17 -1.26 3.99 3.72 0.71 -4.93 117.46 114.48 3jr1 n PHE 13 Ca -0.12 -0.09 -0.09 0.00 -0.05 0.00 0.00 57.45 57.10 3jr1 n PHE 13 Cb 0.36 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.86 3jr1 n PHE 13 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3jr1 n GLY 14 N 0.92 1.01 3.63 1.37 0.00 -0.40 -4.95 105.19 106.77 3jr1 n GLY 14 Ca 0.12 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 3jr1 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jr1 s ALA 15 N -2.13 -1.88 0.34 4.61 0.00 -1.11 -5.04 121.76 116.54 3jr1 s ALA 15 Ca 0.00 1.91 -0.28 0.00 0.00 0.00 0.00 51.96 53.59 3jr1 s ALA 15 Cb 0.00 -1.25 -0.12 0.00 0.00 0.00 0.00 23.12 21.75 3jr1 s ALA 15 CO 0.00 -0.29 1.26 0.98 0.00 0.00 0.00 175.76 177.72 3jr1 n TYR 16 N 2.30 2.18 -3.41 0.00 9.36 -1.26 -4.28 117.16 122.05 3jr1 n TYR 16 Ca -0.13 0.57 -0.44 0.00 3.32 0.00 0.00 57.90 61.22 3jr1 n TYR 16 Cb 0.56 -2.40 -0.06 0.00 -0.63 0.00 0.00 39.34 36.81 3jr1 n TYR 16 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 3jr1 s TYR 17 N -1.08 3.37 -0.38 2.98 5.04 -1.26 -4.95 117.35 121.06 3jr1 s TYR 17 Ca 0.56 -1.60 -0.25 0.00 -2.44 0.00 0.00 57.07 53.33 3jr1 s TYR 17 Cb -0.58 -3.68 0.02 0.00 0.35 0.00 0.00 41.96 38.06 3jr1 s TYR 17 CO 0.62 -1.00 0.91 -0.06 -1.34 0.00 0.00 175.55 174.67 3jr1 s PHE 18 N 1.33 3.06 -0.19 4.97 0.08 -1.26 -4.76 117.98 121.21 3jr1 s PHE 18 Ca 0.06 0.68 -0.29 0.00 0.12 0.00 0.00 56.93 57.49 3jr1 s PHE 18 Cb -0.26 -3.67 -0.02 0.00 -0.57 0.00 0.00 43.02 38.49 3jr1 s PHE 18 CO 0.00 -0.86 1.42 0.42 -0.10 0.00 0.00 175.22 176.11 3jr1 s ILE 19 N 3.48 3.99 -0.09 0.64 1.01 -1.26 -4.29 121.20 124.67 3jr1 s ILE 19 Ca 0.37 1.16 0.13 0.00 0.00 0.00 0.00 60.65 62.31 3jr1 s ILE 19 Cb -0.12 -3.87 -0.19 0.00 0.01 0.00 0.00 42.46 38.29 3jr1 s ILE 19 CO 0.20 -0.23 0.15 0.29 0.00 0.00 0.00 174.94 175.35 3jr1 n LYS 20 N 7.10 1.27 -3.88 2.79 4.76 0.55 -4.97 118.16 125.78 3jr1 n LYS 20 Ca 0.16 -0.06 -0.12 0.00 -2.87 0.00 0.00 58.31 55.43 3jr1 n LYS 20 Cb 0.45 -1.35 -0.14 0.00 -1.84 0.00 0.00 35.03 32.15 3jr1 n LYS 20 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 3jr1 s HIS 21 N -2.59 0.02 0.01 2.13 2.46 -0.83 -5.01 115.29 111.47 3jr1 s HIS 21 Ca -0.06 -0.04 0.04 0.00 0.47 0.00 0.00 55.06 55.47 3jr1 s HIS 21 Cb 0.06 -0.02 -0.01 0.00 -0.13 0.00 0.00 32.58 32.48 3jr1 s HIS 21 CO 0.58 -0.03 -0.12 0.15 -2.47 0.00 0.00 174.74 172.85 3jr1 s LYS 22 N -0.17 0.85 -0.17 2.88 1.02 -1.26 -1.52 119.74 121.37 3jr1 s LYS 22 Ca -0.02 -0.54 -0.06 0.00 0.02 0.00 0.00 55.97 55.37 3jr1 s LYS 22 Cb -0.01 -0.82 0.08 0.00 -0.52 0.00 0.00 37.83 36.55 3jr1 s LYS 22 CO -0.00 0.21 0.36 -2.00 -0.92 0.00 0.00 175.35 173.01 3jr1 s GLU 23 N -0.66 0.27 -0.35 1.68 2.12 -0.23 -5.01 118.70 116.53 3jr1 s GLU 23 Ca 0.02 0.91 -0.23 0.00 0.36 0.00 0.00 54.97 56.03 3jr1 s GLU 23 Cb -0.06 0.17 0.01 0.00 0.26 0.00 0.00 34.13 34.51 3jr1 s GLU 23 CO 0.00 -0.25 0.78 0.21 -0.54 0.00 0.00 175.26 175.47 3jr1 s LYS 24 N 2.39 3.81 0.44 4.30 2.20 -1.26 -0.74 119.74 130.88 3jr1 s LYS 24 Ca -0.02 0.39 -0.09 0.00 -0.36 0.00 0.00 55.97 55.89 3jr1 s LYS 24 Cb -0.12 -3.79 -0.05 0.00 -1.51 0.00 0.00 37.83 32.36 3jr1 s LYS 24 CO -0.11 -0.80 0.79 -0.51 -0.36 0.00 0.00 175.35 174.36 3jr1 s LEU 25 N 3.06 3.72 0.43 5.43 1.43 -0.19 -4.99 118.68 127.56 3jr1 s LEU 25 Ca 0.32 1.09 -0.22 0.00 -1.03 0.00 0.00 54.13 54.28 3jr1 s LEU 25 Cb -0.13 -4.00 -0.10 0.00 0.03 0.00 0.00 46.19 41.99 3jr1 s LEU 25 CO 0.16 -0.49 1.00 -0.47 0.23 0.00 0.00 176.35 176.78 3jr1 s TYR 26 N -2.55 3.24 -0.26 0.29 5.04 -1.26 -4.40 117.35 117.46 3jr1 s TYR 26 Ca 0.50 1.63 -0.25 0.00 -2.44 0.00 0.00 57.07 56.51 3jr1 s TYR 26 Cb -0.10 -3.00 0.08 0.00 0.35 0.00 0.00 41.96 39.28 3jr1 s TYR 26 CO 0.37 -0.44 0.77 -1.54 -1.34 0.00 0.00 175.55 173.38 3jr1 s SER 27 N -1.88 -0.69 0.39 4.32 1.04 -1.26 -4.96 113.70 110.66 3jr1 s SER 27 Ca 0.61 1.29 0.21 0.00 0.48 0.00 0.00 55.95 58.54 3jr1 s SER 27 Cb -0.16 1.30 0.34 0.00 0.10 0.00 0.00 66.02 67.60 3jr1 s SER 27 CO 0.20 -0.26 1.59 1.23 0.98 0.00 0.00 173.24 176.98 3jr1 h GLY 28 N 4.71 0.00 0.00 7.32 0.00 -2.06 -3.49 103.07 109.55 3jr1 h GLY 28 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3jr1 h GLY 28 CO 0.08 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.80 3jr1 n GLU 29 N -3.16 0.00 0.00 4.80 -0.58 -1.26 -5.13 120.64 115.31 3jr1 n GLU 29 Ca 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 3jr1 n GLU 29 Cb 0.58 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.45 3jr1 n GLU 29 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3jr1 n ASN 31 N 0.00 0.00 -4.75 1.62 3.02 -1.26 -5.06 115.26 108.83 3jr1 n ASN 31 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.17 3jr1 n ASN 31 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 3jr1 n ASN 31 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3jr1 s GLU 32 N 0.00 4.28 -0.07 3.52 2.12 -0.29 -4.88 118.70 123.37 3jr1 s GLU 32 Ca 0.00 0.53 0.04 0.00 0.36 0.00 0.00 54.97 55.90 3jr1 s GLU 32 Cb 0.00 -3.38 -0.02 0.00 0.26 0.00 0.00 34.13 30.99 3jr1 s GLU 32 CO 0.00 0.28 -0.19 0.42 -0.54 0.00 0.00 175.26 175.23 3jr1 s ILE 33 N 0.19 2.58 0.04 -3.70 -1.09 -1.26 -1.29 121.20 116.67 3jr1 s ILE 33 Ca 0.27 -0.88 0.01 0.00 -2.23 0.00 0.00 60.65 57.83 3jr1 s ILE 33 Cb -0.16 -1.99 -0.02 0.00 -1.58 0.00 0.00 42.46 38.70 3jr1 s ILE 33 CO 0.13 0.57 -0.06 0.26 -1.23 0.00 0.00 174.94 174.61 3jr1 s TRP 34 N -0.23 0.50 -0.14 3.97 0.52 -0.08 -1.03 118.94 122.45 3jr1 s TRP 34 Ca -0.00 -0.55 -0.01 0.00 0.02 0.00 0.00 56.10 55.55 3jr1 s TRP 34 Cb -0.13 -0.32 -0.02 0.00 -1.15 0.00 0.00 33.47 31.85 3jr1 s TRP 34 CO 0.03 -0.14 -0.10 -0.51 0.02 0.00 0.00 176.95 176.25 3jr1 s LEU 35 N -1.64 2.89 0.11 2.99 1.43 0.08 -0.32 118.68 124.22 3jr1 s LEU 35 Ca -0.11 -0.27 0.05 0.00 -1.03 0.00 0.00 54.13 52.77 3jr1 s LEU 35 Cb -0.09 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 3jr1 s LEU 35 CO -0.01 0.16 -0.13 0.27 0.23 0.00 0.00 176.35 176.87 3jr1 s ILE 36 N 0.42 1.17 0.14 -0.59 -4.36 -0.53 -1.06 121.20 116.40 3jr1 s ILE 36 Ca -0.08 -1.62 -0.11 0.00 -0.26 0.00 0.00 60.65 58.57 3jr1 s ILE 36 Cb -0.15 -1.40 0.01 0.00 1.25 0.00 0.00 42.46 42.17 3jr1 s ILE 36 CO 0.04 -0.43 0.32 0.54 0.24 0.00 0.00 174.94 175.66 3jr1 s ASN 37 N -2.33 -0.04 -0.14 4.36 2.20 -0.58 -0.38 114.94 118.03 3jr1 s ASN 37 Ca 0.06 -0.66 0.16 0.00 -0.94 0.00 0.00 52.86 51.49 3jr1 s ASN 37 Cb -0.05 0.44 0.42 0.00 -2.00 0.00 0.00 41.25 40.06 3jr1 s ASN 37 CO 0.02 -0.87 1.31 -0.90 -2.94 0.00 0.00 177.10 173.72 3jr1 n ASP 38 N -0.20 3.27 0.00 3.54 5.75 -1.15 -0.33 116.55 127.43 3jr1 n ASP 38 Ca -0.11 -2.93 0.00 0.00 -0.01 0.00 0.00 54.79 51.74 3jr1 n ASP 38 Cb 0.63 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 3jr1 n ASP 38 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3jr1 n GLU 39 N -0.72 0.00 0.06 0.11 1.02 -1.26 -4.76 120.64 115.09 3jr1 n GLU 39 Ca 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 3jr1 n GLU 39 Cb 0.76 -0.80 0.00 0.00 -0.02 0.00 0.00 31.44 31.37 3jr1 n GLU 39 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3jr1 n VAL 40 N -2.00 0.75 -3.46 2.62 0.31 -1.26 -5.08 118.33 110.21 3jr1 n VAL 40 Ca 0.00 0.25 -0.38 0.00 -0.01 0.00 0.00 64.34 64.20 3jr1 n VAL 40 Cb 0.00 -1.19 -0.08 0.00 -0.91 0.00 0.00 33.84 31.65 3jr1 n VAL 40 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3jr1 s GLN 41 N -1.84 4.12 0.02 5.55 2.00 -1.26 -5.09 119.66 123.16 3jr1 s GLN 41 Ca 0.00 0.06 -0.08 0.00 -2.00 0.00 0.00 55.36 53.34 3jr1 s GLN 41 Cb 0.00 -3.56 -0.05 0.00 0.80 0.00 0.00 33.01 30.20 3jr1 s GLN 41 CO 0.00 -0.05 0.31 0.99 -0.50 0.00 0.00 175.29 176.04 3jr1 s THR 42 N 1.36 5.23 -0.02 -0.34 2.01 -1.26 -2.93 115.64 119.68 3jr1 s THR 42 Ca 0.16 0.31 0.02 0.00 0.31 0.00 0.00 61.69 62.49 3jr1 s THR 42 Cb -0.15 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 68.78 3jr1 s THR 42 CO 0.07 0.38 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.61 3jr1 s VAL 43 N -1.29 0.74 -0.17 3.82 1.01 0.49 -4.15 120.40 120.85 3jr1 s VAL 43 Ca 0.28 -0.34 -0.15 0.00 0.00 0.00 0.00 61.98 61.77 3jr1 s VAL 43 Cb -0.14 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 3jr1 s VAL 43 CO 0.16 0.23 0.37 0.12 0.00 0.00 0.00 175.10 175.98 3jr1 s PHE 44 N 0.20 3.43 -0.08 5.22 5.36 -0.17 -1.45 117.98 130.49 3jr1 s PHE 44 Ca -0.03 0.65 0.03 0.00 -0.96 0.00 0.00 56.93 56.62 3jr1 s PHE 44 Cb -0.08 -2.46 0.01 0.00 -0.34 0.00 0.00 43.02 40.14 3jr1 s PHE 44 CO 0.00 0.10 -0.17 0.08 -1.46 0.00 0.00 175.22 173.78 3jr1 s VAL 45 N 0.91 1.52 -0.16 3.12 1.01 0.56 -1.07 120.40 126.28 3jr1 s VAL 45 Ca 0.19 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 3jr1 s VAL 45 Cb -0.14 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 3jr1 s VAL 45 CO 0.07 0.44 -0.01 -0.54 0.00 0.00 0.00 175.10 175.06 3jr1 s LYS 46 N 0.54 3.77 0.03 2.72 1.02 -0.62 -0.90 119.74 126.31 3jr1 s LYS 46 Ca -0.16 -0.46 0.05 0.00 0.02 0.00 0.00 55.97 55.42 3jr1 s LYS 46 Cb -0.17 -3.01 -0.02 0.00 -0.52 0.00 0.00 37.83 34.11 3jr1 s LYS 46 CO 0.06 0.25 -0.15 0.42 -0.92 0.00 0.00 175.35 175.01 3jr1 s ILE 47 N 0.36 1.16 0.15 2.17 1.01 -0.41 -0.65 121.20 124.99 3jr1 s ILE 47 Ca -0.02 -0.96 -0.06 0.00 0.00 0.00 0.00 60.65 59.61 3jr1 s ILE 47 Cb -0.14 -1.03 0.02 0.00 0.01 0.00 0.00 42.46 41.32 3jr1 s ILE 47 CO 0.02 0.06 0.31 -3.20 0.00 0.00 0.00 174.94 172.13 3jr1 n ASN 48 N 2.00 -0.89 -4.65 3.58 2.85 -0.69 -1.14 115.26 116.32 3jr1 n ASN 48 Ca -0.17 -1.61 -0.30 0.00 -0.11 0.00 0.00 54.58 52.38 3jr1 n ASN 48 Cb 0.55 1.48 0.18 0.00 1.24 0.00 0.00 39.78 43.22 3jr1 n ASN 48 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 3jr1 s GLU 49 N -2.03 0.71 0.23 1.20 8.01 -1.26 -0.71 118.70 124.84 3jr1 s GLU 49 Ca 0.06 1.23 -0.07 0.00 0.01 0.00 0.00 54.97 56.20 3jr1 s GLU 49 Cb -0.02 -1.71 0.29 0.00 -4.31 0.00 0.00 34.13 28.38 3jr1 s GLU 49 CO 0.05 -2.74 1.83 -0.09 0.01 0.00 0.00 175.26 174.32 3jr1 h ARG 50 N -1.93 0.81 0.00 1.61 2.43 -1.71 -2.21 114.38 113.38 3jr1 h ARG 50 Ca -0.49 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 3jr1 h ARG 50 Cb 1.28 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 3jr1 h ARG 50 CO 0.47 0.54 0.04 0.66 -1.51 0.00 0.00 179.97 180.17 3jr1 h SER 51 N 0.83 0.00 -0.02 -3.80 4.64 -1.91 -2.01 113.55 111.28 3jr1 h SER 51 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3jr1 h SER 51 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3jr1 h SER 51 CO -0.18 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.56 3jr1 n TYR 52 N -2.47 0.03 -0.02 4.77 4.01 -0.84 -4.23 117.16 118.42 3jr1 n TYR 52 Ca -0.02 -0.02 0.03 0.00 -0.16 0.00 0.00 57.90 57.74 3jr1 n TYR 52 Cb 0.09 0.00 0.39 0.00 -0.31 0.00 0.00 39.34 39.50 3jr1 n TYR 52 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3jr1 h ARG 53 N 0.18 0.58 -0.88 -0.72 2.43 -1.56 -1.80 114.38 112.61 3jr1 h ARG 53 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3jr1 h ARG 53 Cb 0.04 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 3jr1 h ARG 53 CO 0.00 0.42 0.00 0.45 -1.51 0.00 0.00 179.97 179.33 3jr1 n SER 54 N -4.44 0.59 0.00 -3.80 2.88 -1.26 -0.67 113.62 106.92 3jr1 n SER 54 Ca 0.03 -0.65 0.00 0.00 -1.33 0.00 0.00 58.87 56.93 3jr1 n SER 54 Cb 0.08 -0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 3jr1 n SER 54 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 3jr1 n PHE 56 N 0.54 0.00 -0.18 0.66 3.72 -0.68 -0.64 117.46 120.88 3jr1 n PHE 56 Ca 0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 3jr1 n PHE 56 Cb 0.11 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.66 3jr1 n PHE 56 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3jr1 h ARG 57 N 0.00 0.90 -0.45 -1.08 2.43 -1.16 -2.38 114.38 112.64 3jr1 h ARG 57 Ca 0.00 -0.27 0.04 0.00 -0.81 0.00 0.00 59.98 58.95 3jr1 h ARG 57 Cb 0.00 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.42 3jr1 h ARG 57 CO 0.00 0.90 0.21 0.00 -1.51 0.00 0.00 179.97 179.57 3jr1 h ALA 58 N 0.96 0.56 -0.71 2.80 0.00 -1.13 -0.48 119.26 121.25 3jr1 h ALA 58 Ca 0.15 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3jr1 h ALA 58 Cb 0.47 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3jr1 h ALA 58 CO 0.02 -0.16 0.31 1.49 0.00 0.00 0.00 179.25 180.91 3jr1 h GLU 59 N 0.42 1.04 -0.65 0.00 4.81 -1.78 -1.46 114.58 116.96 3jr1 h GLU 59 Ca 0.20 -0.16 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 3jr1 h GLU 59 Cb 0.14 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 3jr1 h GLU 59 CO -0.16 0.83 0.09 0.00 -0.73 0.00 0.00 179.01 179.04 3jr1 h ALA 60 N 1.31 0.94 -0.23 2.92 0.00 -0.99 -2.04 119.26 121.18 3jr1 h ALA 60 Ca 0.24 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3jr1 h ALA 60 Cb 0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3jr1 h ALA 60 CO -0.03 0.66 -0.32 -0.44 0.00 0.00 0.00 179.25 179.12 3jr1 h ASP 61 N 1.00 0.49 0.21 0.00 3.32 -0.56 -1.32 116.42 119.55 3jr1 h ASP 61 Ca 0.20 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3jr1 h ASP 61 Cb 0.44 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3jr1 h ASP 61 CO 0.01 0.78 -0.10 1.56 -1.72 0.00 0.00 179.24 179.77 3jr1 h GLN 62 N 0.41 -0.27 -0.93 3.56 4.20 -1.03 -1.58 115.11 119.46 3jr1 h GLN 62 Ca 0.05 0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.81 3jr1 h GLN 62 Cb 0.76 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.55 3jr1 h GLN 62 CO 0.06 -0.03 0.61 -0.07 -0.67 0.00 0.00 178.83 178.73 3jr1 h LEU 63 N -0.49 1.02 0.10 1.46 3.38 -1.32 0.16 115.31 119.62 3jr1 h LEU 63 Ca -0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3jr1 h LEU 63 Cb 0.37 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3jr1 h LEU 63 CO 0.05 0.71 -0.05 0.00 0.09 0.00 0.00 178.44 179.23 3jr1 h ALA 64 N 1.45 -0.14 -0.74 1.53 0.00 -1.19 -1.93 119.26 118.23 3jr1 h ALA 64 Ca 0.37 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3jr1 h ALA 64 Cb -0.01 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3jr1 h ALA 64 CO -0.11 -0.46 0.33 1.37 0.00 0.00 0.00 179.25 180.39 3jr1 h LEU 65 N -0.38 0.97 -0.72 0.00 8.10 -0.97 -1.26 115.31 121.06 3jr1 h LEU 65 Ca -0.01 -0.12 -0.05 0.00 0.11 0.00 0.00 57.88 57.80 3jr1 h LEU 65 Cb 0.31 -0.25 -0.03 0.00 -0.44 0.00 0.00 40.66 40.25 3jr1 h LEU 65 CO 0.02 0.84 0.24 -0.07 -4.11 0.00 0.00 178.44 175.37 3jr1 h LEU 66 N 1.06 1.03 -0.80 0.17 3.38 -0.99 -3.00 115.31 116.16 3jr1 h LEU 66 Ca 0.25 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 3jr1 h LEU 66 Cb 0.14 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3jr1 h LEU 66 CO -0.03 0.95 -0.29 0.00 0.09 0.00 0.00 178.44 179.16 3jr1 h ALA 67 N 1.12 0.97 0.00 1.53 0.00 -0.76 -2.81 119.26 119.30 3jr1 h ALA 67 Ca 0.23 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3jr1 h ALA 67 Cb 0.28 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3jr1 h ALA 67 CO -0.01 0.60 -0.02 0.87 0.00 0.00 0.00 179.25 180.70 3jr1 h LYS 68 N 0.50 0.00 0.00 0.00 1.57 -1.11 -2.74 116.57 114.78 3jr1 h LYS 68 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3jr1 h LYS 68 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 3jr1 h LYS 68 CO 0.06 0.02 0.00 0.25 -0.57 0.00 0.00 179.45 179.21 3jr1 n THR 69 N -3.15 0.85 -3.76 -0.16 -2.24 -1.06 -4.91 114.28 99.85 3jr1 n THR 69 Ca -0.01 0.20 -0.24 0.00 -2.27 0.00 0.00 64.05 61.74 3jr1 n THR 69 Cb 0.22 -1.06 0.03 0.00 -2.10 0.00 0.00 70.33 67.42 3jr1 n THR 69 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3jr1 n ASN 70 N -1.99 -2.33 0.00 3.42 5.15 -1.04 -4.92 115.26 113.56 3jr1 n ASN 70 Ca 0.03 -0.80 0.00 0.00 -0.60 0.00 0.00 54.58 53.21 3jr1 n ASN 70 Cb 0.22 -4.04 0.00 0.00 -0.53 0.00 0.00 39.78 35.44 3jr1 n ASN 70 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3jr1 n SER 71 N -2.99 0.00 -4.82 1.20 3.41 -1.26 -5.07 113.62 104.09 3jr1 n SER 71 Ca -0.20 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.09 3jr1 n SER 71 Cb 0.63 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.57 3jr1 n SER 71 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3jr1 s ILE 72 N 0.23 4.08 -0.17 -1.33 -4.36 -1.26 -4.89 121.20 113.51 3jr1 s ILE 72 Ca 0.00 1.02 -0.24 0.00 -0.26 0.00 0.00 60.65 61.17 3jr1 s ILE 72 Cb 0.00 -3.51 -0.02 0.00 1.25 0.00 0.00 42.46 40.18 3jr1 s ILE 72 CO 0.00 -0.55 0.79 0.20 0.24 0.00 0.00 174.94 175.63 3jr1 s ASN 73 N -2.82 6.92 0.12 4.36 0.02 -1.26 -4.79 114.94 117.48 3jr1 s ASN 73 Ca 0.62 1.13 0.05 0.00 -1.02 0.00 0.00 52.86 53.63 3jr1 s ASN 73 Cb -0.14 -2.44 -0.04 0.00 0.02 0.00 0.00 41.25 38.66 3jr1 s ASN 73 CO 0.33 -0.36 -0.12 0.68 0.02 0.00 0.00 177.10 177.65 3jr1 s VAL 74 N 2.03 1.17 0.38 1.60 -7.23 -1.26 -1.83 120.40 115.26 3jr1 s VAL 74 Ca 0.37 -1.77 -0.27 0.00 -1.81 0.00 0.00 61.98 58.50 3jr1 s VAL 74 Cb -0.17 -1.54 -0.09 0.00 0.56 0.00 0.00 36.38 35.14 3jr1 s VAL 74 CO 0.12 -0.54 1.28 -2.16 -0.31 0.00 0.00 175.10 173.50 3jr1 s PRO 75 N -2.94 4.14 0.62 4.82 0.04 -1.26 -5.00 135.00 135.42 3jr1 s PRO 75 Ca 0.09 2.12 -0.17 0.00 0.04 0.00 0.00 61.00 63.08 3jr1 s PRO 75 Cb -0.03 -2.87 -0.02 0.00 0.04 0.00 0.00 34.50 31.63 3jr1 s PRO 75 CO 0.02 -0.34 1.17 -0.51 0.04 0.00 0.00 177.00 177.38 3jr1 s LEU 76 N -2.19 3.55 -0.22 -3.56 1.43 -1.26 -4.86 118.68 111.57 3jr1 s LEU 76 Ca 0.54 2.25 -0.09 0.00 -1.03 0.00 0.00 54.13 55.79 3jr1 s LEU 76 Cb -0.37 -4.58 -0.05 0.00 0.03 0.00 0.00 46.19 41.22 3jr1 s LEU 76 CO 0.48 -1.65 0.12 -0.69 0.23 0.00 0.00 176.35 174.84 3jr1 s VAL 77 N -1.88 5.09 -0.08 -1.59 1.01 -1.26 -1.56 120.40 120.13 3jr1 s VAL 77 Ca 0.73 0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.88 3jr1 s VAL 77 Cb -0.26 -3.35 -0.24 0.00 0.00 0.00 0.00 36.38 32.53 3jr1 s VAL 77 CO 0.36 0.38 0.50 -1.22 0.00 0.00 0.00 175.10 175.13 3jr1 n TYR 78 N 4.08 0.93 0.00 5.22 4.01 0.14 -4.95 117.16 126.59 3jr1 n TYR 78 Ca -0.16 0.29 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 3jr1 n TYR 78 Cb 0.52 -1.16 0.00 0.00 -0.31 0.00 0.00 39.34 38.39 3jr1 n TYR 78 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3jr1 n GLY 79 N 1.71 -0.51 3.37 2.72 0.00 -1.06 -4.78 105.19 106.64 3jr1 n GLY 79 Ca -0.23 -1.21 -0.19 0.00 0.00 0.00 0.00 46.02 44.39 3jr1 n GLY 79 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3jr1 s ILE 80 N -2.00 1.12 0.00 -0.61 -4.36 -1.26 -1.06 121.20 113.03 3jr1 s ILE 80 Ca 0.00 -2.04 0.00 0.00 -0.26 0.00 0.00 60.65 58.35 3jr1 s ILE 80 Cb 0.00 -2.48 0.00 0.00 1.25 0.00 0.00 42.46 41.23 3jr1 s ILE 80 CO 0.00 -0.23 0.00 0.61 0.24 0.00 0.00 174.94 175.56 3jr1 n GLY 81 N -0.50 -0.92 3.21 6.27 0.00 -1.05 -4.99 105.19 107.21 3jr1 n GLY 81 Ca -0.04 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.81 3jr1 n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jr1 s ASN 82 N 0.00 0.18 0.00 1.61 4.22 -1.26 -1.02 114.94 118.67 3jr1 s ASN 82 Ca 0.00 -0.82 0.00 0.00 -2.14 0.00 0.00 52.86 49.90 3jr1 s ASN 82 Cb 0.00 0.34 0.00 0.00 1.28 0.00 0.00 41.25 42.87 3jr1 s ASN 82 CO 0.00 -0.75 0.00 -1.54 -2.04 0.00 0.00 177.10 172.77 3jr1 n SER 83 N -0.07 1.63 -0.02 3.54 3.41 0.10 -4.88 113.62 117.32 3jr1 n SER 83 Ca -0.12 -0.79 -0.10 0.00 -0.26 0.00 0.00 58.87 57.61 3jr1 n SER 83 Cb 0.62 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.54 3jr1 n SER 83 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3jr1 h GLN 84 N 0.00 0.09 -0.19 4.33 5.75 -1.90 -3.29 115.11 119.90 3jr1 h GLN 84 Ca 0.00 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 3jr1 h GLN 84 Cb 0.00 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.53 3jr1 h GLN 84 CO 0.00 0.06 0.00 0.41 -2.65 0.00 0.00 178.83 176.65 3jr1 n GLY 85 N -1.15 3.03 3.20 2.39 0.00 -1.26 -4.83 105.19 106.57 3jr1 n GLY 85 Ca -0.04 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 3jr1 n GLY 85 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3jr1 s HIS 86 N -1.20 0.45 0.14 1.61 3.76 -1.24 -3.23 115.29 115.57 3jr1 s HIS 86 Ca 0.16 -0.88 0.02 0.00 -0.15 0.00 0.00 55.06 54.21 3jr1 s HIS 86 Cb 0.10 -0.23 -0.04 0.00 1.11 0.00 0.00 32.58 33.52 3jr1 s HIS 86 CO 0.09 -0.54 -0.03 -1.54 -0.85 0.00 0.00 174.74 171.87 3jr1 s SER 87 N -2.94 1.12 0.14 1.40 1.04 0.12 -0.73 113.70 113.85 3jr1 s SER 87 Ca 0.12 -1.10 -0.24 0.00 0.48 0.00 0.00 55.95 55.22 3jr1 s SER 87 Cb 0.06 0.12 0.07 0.00 0.10 0.00 0.00 66.02 66.37 3jr1 s SER 87 CO -0.05 -0.53 0.66 0.72 0.98 0.00 0.00 173.24 175.02 3jr1 s PHE 88 N -3.67 -0.48 0.03 5.02 -0.12 -0.19 -1.71 117.98 116.87 3jr1 s PHE 88 Ca 0.18 0.26 0.07 0.00 -0.05 0.00 0.00 56.93 57.39 3jr1 s PHE 88 Cb 0.06 0.57 -0.02 0.00 -0.63 0.00 0.00 43.02 42.99 3jr1 s PHE 88 CO -0.00 -0.82 -0.19 -1.17 -0.05 0.00 0.00 175.22 172.98 3jr1 s LEU 89 N -2.72 2.13 -0.15 -1.99 0.20 0.18 -2.54 118.68 113.80 3jr1 s LEU 89 Ca 0.03 -0.46 -0.01 0.00 0.69 0.00 0.00 54.13 54.37 3jr1 s LEU 89 Cb -0.01 -0.92 0.04 0.00 -0.43 0.00 0.00 46.19 44.86 3jr1 s LEU 89 CO -0.11 0.16 -0.03 -0.76 -0.29 0.00 0.00 176.35 175.33 3jr1 s LEU 90 N -0.96 1.34 0.25 -0.68 1.43 -0.22 -1.59 118.68 118.25 3jr1 s LEU 90 Ca 0.07 -0.58 0.07 0.00 -1.03 0.00 0.00 54.13 52.66 3jr1 s LEU 90 Cb -0.08 -0.77 -0.05 0.00 0.03 0.00 0.00 46.19 45.32 3jr1 s LEU 90 CO 0.01 -0.21 -0.10 -0.76 0.23 0.00 0.00 176.35 175.53 3jr1 s LEU 91 N 1.74 2.52 0.29 1.79 1.43 -0.23 0.26 118.68 126.47 3jr1 s LEU 91 Ca 0.01 -1.12 -0.29 0.00 -1.03 0.00 0.00 54.13 51.70 3jr1 s LEU 91 Cb -0.15 -0.68 -0.13 0.00 0.03 0.00 0.00 46.19 45.26 3jr1 s LEU 91 CO -0.07 -0.26 1.30 1.21 0.23 0.00 0.00 176.35 178.76 3jr1 n GLU 92 N -0.52 1.98 -3.23 1.70 2.13 -0.60 -1.00 120.64 121.10 3jr1 n GLU 92 Ca -0.06 0.70 -0.43 0.00 0.66 0.00 0.00 57.16 58.03 3jr1 n GLU 92 Cb 0.62 -2.29 -0.08 0.00 0.27 0.00 0.00 31.44 29.97 3jr1 n GLU 92 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3jr1 s ALA 93 N -0.64 3.39 0.24 4.31 0.00 -1.26 -4.51 121.76 123.30 3jr1 s ALA 93 Ca 0.61 -1.42 -0.27 0.00 0.00 0.00 0.00 51.96 50.89 3jr1 s ALA 93 Cb -0.62 -3.16 -0.09 0.00 0.00 0.00 0.00 23.12 19.25 3jr1 s ALA 93 CO 0.57 -1.68 0.89 -0.51 0.00 0.00 0.00 175.76 175.02 3jr1 s LEU 94 N 2.41 4.53 -0.56 0.00 1.43 -1.26 -5.00 118.68 120.23 3jr1 s LEU 94 Ca 0.16 1.81 -0.18 0.00 -1.03 0.00 0.00 54.13 54.89 3jr1 s LEU 94 Cb -0.16 -3.65 0.10 0.00 0.03 0.00 0.00 46.19 42.51 3jr1 s LEU 94 CO 0.16 0.10 0.63 0.20 0.23 0.00 0.00 176.35 177.66 3jr1 s ASN 95 N -1.33 6.19 -0.02 2.29 0.01 -1.26 -5.04 114.94 115.78 3jr1 s ASN 95 Ca 0.42 -1.39 -0.30 0.00 -0.71 0.00 0.00 52.86 50.89 3jr1 s ASN 95 Cb -0.23 -2.27 -0.07 0.00 0.41 0.00 0.00 41.25 39.09 3jr1 s ASN 95 CO 0.28 -0.99 1.77 -0.75 -1.51 0.00 0.00 177.10 175.90 3jr1 s LYS 96 N 2.40 4.16 0.47 -0.60 2.20 -1.26 -4.48 119.74 122.62 3jr1 s LYS 96 Ca 0.10 2.34 0.06 0.00 -0.36 0.00 0.00 55.97 58.11 3jr1 s LYS 96 Cb -0.24 -4.05 -0.01 0.00 -1.51 0.00 0.00 37.83 32.01 3jr1 s LYS 96 CO 0.07 -0.90 0.24 -1.54 -0.36 0.00 0.00 175.35 172.87 3jr1 s SER 97 N 3.78 4.49 0.21 1.43 1.04 -0.02 -5.01 113.70 119.63 3jr1 s SER 97 Ca 0.79 -1.20 -0.31 0.00 0.48 0.00 0.00 55.95 55.71 3jr1 s SER 97 Cb -0.37 -0.03 -0.10 0.00 0.10 0.00 0.00 66.02 65.62 3jr1 s SER 97 CO 0.34 -0.79 1.53 -1.59 0.98 0.00 0.00 173.24 173.71 3jr1 s LYS 98 N -4.04 4.22 0.33 4.02 0.00 -1.26 -4.59 119.74 118.42 3jr1 s LYS 98 Ca 0.34 2.37 -0.28 0.00 0.00 0.00 0.00 55.97 58.40 3jr1 s LYS 98 Cb 0.01 -3.12 -0.12 0.00 0.00 0.00 0.00 37.83 34.60 3jr1 s LYS 98 CO 0.19 -0.54 1.28 0.09 0.00 0.00 0.00 175.35 176.37 3jr1 n ASN 99 N 3.11 2.67 -3.93 0.03 3.02 -1.26 -4.97 115.26 113.93 3jr1 n ASN 99 Ca 0.10 1.20 -0.30 0.00 -0.03 0.00 0.00 54.58 55.55 3jr1 n ASN 99 Cb 0.39 -1.47 -0.16 0.00 -0.61 0.00 0.00 39.78 37.94 3jr1 n ASN 99 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3jr1 s LYS 100 N -1.74 1.54 0.34 3.52 1.02 -1.26 -5.02 119.74 118.14 3jr1 s LYS 100 Ca 0.57 -1.01 0.13 0.00 0.02 0.00 0.00 55.97 55.67 3jr1 s LYS 100 Cb -0.58 -2.57 0.97 0.00 -0.52 0.00 0.00 37.83 35.12 3jr1 s LYS 100 CO 0.61 -0.63 1.74 0.37 -0.92 0.00 0.00 175.35 176.52 3jr1 h GLN 101 N 7.96 0.50 0.00 1.68 4.15 -2.02 0.31 115.11 127.68 3jr1 h GLN 101 Ca -0.17 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.21 3jr1 h GLN 101 Cb 1.07 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.65 3jr1 h GLN 101 CO 0.42 0.33 -0.03 0.66 -1.93 0.00 0.00 178.83 178.28 3jr1 h SER 102 N 0.51 0.00 0.54 -0.69 4.64 -1.99 -1.74 113.55 114.82 3jr1 h SER 102 Ca 0.64 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.91 3jr1 h SER 102 Cb 1.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.43 3jr1 h SER 102 CO -0.43 0.03 -0.20 0.28 -0.87 0.00 0.00 176.83 175.64 3jr1 h SER 103 N 0.00 0.00 0.86 4.97 0.02 -1.21 -2.80 113.55 115.39 3jr1 h SER 103 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3jr1 h SER 103 Cb 0.22 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 3jr1 h SER 103 CO 0.00 0.20 -0.05 -0.26 -1.14 0.00 0.00 176.83 175.59 3jr1 h PHE 104 N 0.00 0.00 -0.17 3.45 0.04 -1.43 -0.91 116.94 117.92 3jr1 h PHE 104 Ca -0.00 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 3jr1 h PHE 104 Cb 0.53 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.67 3jr1 h PHE 104 CO 0.00 0.05 -0.17 1.15 -0.60 0.00 0.00 178.31 178.74 3jr1 h THR 105 N 0.00 1.34 -0.52 -1.55 2.02 -1.65 -0.83 112.91 111.71 3jr1 h THR 105 Ca -0.00 -1.34 -0.07 0.00 0.77 0.00 0.00 66.41 65.77 3jr1 h THR 105 Cb 0.49 1.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 3jr1 h THR 105 CO 0.01 0.40 0.07 0.40 0.37 0.00 0.00 175.52 176.77 3jr1 h ILE 106 N 0.06 1.25 -0.63 3.11 1.08 -1.61 -2.51 117.51 118.26 3jr1 h ILE 106 Ca 0.03 -0.97 0.03 0.00 -0.39 0.00 0.00 64.86 63.56 3jr1 h ILE 106 Cb 0.71 0.87 -0.04 0.00 -3.07 0.00 0.00 36.82 35.29 3jr1 h ILE 106 CO 0.04 0.35 0.38 0.15 -0.69 0.00 0.00 178.15 178.38 3jr1 h PHE 107 N 0.75 0.71 -0.96 1.37 3.57 -1.09 -0.90 116.94 120.40 3jr1 h PHE 107 Ca 0.16 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.70 3jr1 h PHE 107 Cb 0.42 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.88 3jr1 h PHE 107 CO 0.03 0.40 0.63 0.00 -2.23 0.00 0.00 178.31 177.14 3jr1 h ALA 108 N 1.28 1.23 -0.65 2.41 0.00 -0.96 0.15 119.26 122.72 3jr1 h ALA 108 Ca 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3jr1 h ALA 108 Cb 0.04 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 3jr1 h ALA 108 CO -0.11 0.57 0.31 0.93 0.00 0.00 0.00 179.25 180.95 3jr1 h GLU 109 N 1.27 0.91 -0.10 0.00 5.08 -0.84 -0.25 114.58 120.65 3jr1 h GLU 109 Ca 0.36 -0.12 -0.22 0.00 -1.00 0.00 0.00 59.36 58.38 3jr1 h GLU 109 Cb -0.10 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 28.99 3jr1 h GLU 109 CO -0.09 0.71 -0.80 0.87 -1.00 0.00 0.00 179.01 178.70 3jr1 h LYS 110 N 0.91 0.72 -0.70 2.33 1.79 -0.13 -1.66 116.57 119.84 3jr1 h LYS 110 Ca 0.22 -0.64 -0.06 0.00 -2.18 0.00 0.00 60.65 57.99 3jr1 h LYS 110 Cb 0.10 0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.86 3jr1 h LYS 110 CO -0.03 1.24 0.19 0.82 -1.08 0.00 0.00 179.45 180.60 3jr1 h ILE 111 N 0.42 1.26 0.30 1.86 1.08 -0.58 -0.63 117.51 121.22 3jr1 h ILE 111 Ca -0.07 -0.92 -0.01 0.00 -0.39 0.00 0.00 64.86 63.47 3jr1 h ILE 111 Cb 1.44 0.51 0.00 0.00 -3.07 0.00 0.00 36.82 35.70 3jr1 h ILE 111 CO 0.16 0.35 -0.14 0.00 -0.69 0.00 0.00 178.15 177.83 3jr1 h ALA 112 N 1.17 -0.40 -0.77 1.87 0.00 -1.02 -1.03 119.26 119.08 3jr1 h ALA 112 Ca 0.22 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.15 3jr1 h ALA 112 Cb 0.33 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.19 3jr1 h ALA 112 CO -0.00 -0.71 0.38 0.37 0.00 0.00 0.00 179.25 179.29 3jr1 h GLN 113 N -0.42 0.59 -0.20 0.00 4.15 -1.09 -0.30 115.11 117.84 3jr1 h GLN 113 Ca -0.04 -0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.38 3jr1 h GLN 113 Cb 0.32 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.85 3jr1 h GLN 113 CO 0.07 0.39 0.00 1.25 -1.93 0.00 0.00 178.83 178.61 3jr1 h LEU 114 N 0.61 -0.07 -1.41 -2.39 5.85 -0.78 -2.82 115.31 114.29 3jr1 h LEU 114 Ca 0.40 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 59.11 3jr1 h LEU 114 Cb 0.48 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3jr1 h LEU 114 CO -0.31 -0.01 -0.22 0.45 -0.34 0.00 0.00 178.44 178.01 3jr1 h HIS 115 N 0.07 0.00 0.00 1.25 3.86 -0.17 -2.85 115.15 117.31 3jr1 h HIS 115 Ca 0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 3jr1 h HIS 115 Cb 0.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.58 3jr1 h HIS 115 CO -0.17 0.22 0.00 1.96 0.86 0.00 0.00 177.93 180.80 3jr1 h GLN 116 N 0.00 0.00 -6.60 2.45 4.20 -0.84 -3.44 115.11 110.88 3jr1 h GLN 116 Ca -0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.19 3jr1 h GLN 116 Cb 0.60 0.00 0.05 0.00 0.30 0.00 0.00 27.48 28.43 3jr1 h GLN 116 CO 0.03 0.00 1.04 0.42 -0.67 0.00 0.00 178.83 179.65 3jr1 s ILE 117 N -3.20 2.22 -0.21 2.54 1.01 -1.07 -4.98 121.20 117.50 3jr1 s ILE 117 Ca 0.08 0.04 -0.10 0.00 0.00 0.00 0.00 60.65 60.68 3jr1 s ILE 117 Cb 0.10 -3.03 -0.05 0.00 0.01 0.00 0.00 42.46 39.50 3jr1 s ILE 117 CO 0.55 0.00 0.13 0.00 0.00 0.00 0.00 174.94 175.62 3jr1 s GLN 118 N 1.73 4.09 0.00 2.79 -2.07 -1.26 -4.67 119.66 120.26 3jr1 s GLN 118 Ca 0.77 -0.27 0.00 0.00 -1.82 0.00 0.00 55.36 54.04 3jr1 s GLN 118 Cb -0.48 -3.43 0.00 0.00 -1.09 0.00 0.00 33.01 28.01 3jr1 s GLN 118 CO 0.33 0.19 0.00 0.41 -1.32 0.00 0.00 175.29 174.90 3jr1 n GLY 119 N 3.86 3.12 3.80 2.60 0.00 -1.26 -5.14 105.19 112.18 3jr1 n GLY 119 Ca -0.16 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 3jr1 n GLY 119 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3jr1 s PRO 120 N 2.38 1.97 -0.37 1.61 0.04 -1.26 -4.98 135.00 134.40 3jr1 s PRO 120 Ca 0.00 0.59 0.06 0.00 0.04 0.00 0.00 61.00 61.69 3jr1 s PRO 120 Cb 0.00 -1.91 0.57 0.00 0.04 0.00 0.00 34.50 33.20 3jr1 s PRO 120 CO 0.00 -1.69 1.65 -0.40 0.04 0.00 0.00 177.00 176.60 3jr1 n ASP 121 N -3.47 3.17 -4.15 6.66 5.68 -1.26 -4.49 116.55 118.69 3jr1 n ASP 121 Ca 0.07 -3.73 -0.11 0.00 -0.50 0.00 0.00 54.79 50.52 3jr1 n ASP 121 Cb 0.57 -0.72 -0.10 0.00 -1.14 0.00 0.00 41.12 39.73 3jr1 n ASP 121 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3jr1 s LYS 122 N -3.30 1.12 -0.10 0.11 1.02 -1.26 -4.85 119.74 112.47 3jr1 s LYS 122 Ca 0.50 -1.51 -0.02 0.00 0.02 0.00 0.00 55.97 54.97 3jr1 s LYS 122 Cb 0.44 0.28 -0.03 0.00 -0.52 0.00 0.00 37.83 38.00 3jr1 s LYS 122 CO 0.04 -0.36 -0.03 0.71 -0.92 0.00 0.00 175.35 174.79 3jr1 s TYR 123 N -4.10 3.05 -1.32 3.18 2.02 -0.33 -4.84 117.35 115.02 3jr1 s TYR 123 Ca 0.31 -0.01 0.00 0.00 -0.37 0.00 0.00 57.07 57.00 3jr1 s TYR 123 Cb 0.06 -1.82 0.00 0.00 -0.40 0.00 0.00 41.96 39.80 3jr1 s TYR 123 CO 0.07 0.27 0.00 0.41 -1.57 0.00 0.00 175.55 174.73 3jr1 n GLY 124 N 2.61 0.52 3.60 0.71 0.00 -0.21 -1.93 105.19 110.49 3jr1 n GLY 124 Ca -0.18 -1.42 -0.03 0.00 0.00 0.00 0.00 46.02 44.39 3jr1 n GLY 124 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3jr1 s LEU 125 N 0.00 -0.11 0.38 0.99 2.96 -0.64 0.47 118.68 122.73 3jr1 s LEU 125 Ca 0.00 -0.01 0.28 0.00 -0.22 0.00 0.00 54.13 54.18 3jr1 s LEU 125 Cb 0.00 1.32 1.17 0.00 0.50 0.00 0.00 46.19 49.19 3jr1 s LEU 125 CO 0.00 -0.20 1.83 0.44 -1.32 0.00 0.00 176.35 177.10 3jr1 h ASP 126 N 2.00 0.00 -5.14 3.68 3.32 -2.01 -3.40 116.42 114.87 3jr1 h ASP 126 Ca -0.10 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.82 3jr1 h ASP 126 Cb 1.16 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.54 3jr1 h ASP 126 CO 0.23 0.00 -0.65 0.72 -1.72 0.00 0.00 179.24 177.82 3jr1 s PHE 127 N -3.48 0.38 0.13 4.55 -0.71 -1.26 -5.06 117.98 112.53 3jr1 s PHE 127 Ca 0.03 -0.82 -0.30 0.00 -1.04 0.00 0.00 56.93 54.80 3jr1 s PHE 127 Cb 0.09 -0.28 -0.06 0.00 -1.21 0.00 0.00 43.02 41.55 3jr1 s PHE 127 CO 0.44 -0.34 0.99 -0.51 -1.34 0.00 0.00 175.22 174.47 3jr1 s ASP 128 N -2.41 7.45 0.40 1.98 1.01 -1.26 -4.74 116.67 119.10 3jr1 s ASP 128 Ca -0.01 1.87 0.08 0.00 0.71 0.00 0.00 52.55 55.20 3jr1 s ASP 128 Cb 0.02 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 3jr1 s ASP 128 CO -0.07 -0.09 0.32 0.42 0.21 0.00 0.00 175.17 175.96 3jr1 s THR 129 N -0.10 2.76 0.02 -1.27 -4.23 -1.23 -4.87 115.64 106.71 3jr1 s THR 129 Ca 0.47 -1.43 0.07 0.00 -1.18 0.00 0.00 61.69 59.63 3jr1 s THR 129 Cb -0.25 -3.02 -0.03 0.00 1.34 0.00 0.00 72.50 70.54 3jr1 s THR 129 CO 0.31 -0.04 -0.20 0.26 -0.54 0.00 0.00 174.62 174.41 3jr1 s TRP 130 N -2.46 2.51 -0.35 3.99 0.52 -1.26 0.47 118.94 122.35 3jr1 s TRP 130 Ca 0.45 -0.29 0.01 0.00 0.02 0.00 0.00 56.10 56.30 3jr1 s TRP 130 Cb -0.02 -1.49 0.11 0.00 -1.15 0.00 0.00 33.47 30.92 3jr1 s TRP 130 CO 0.26 0.18 0.12 -1.17 0.02 0.00 0.00 176.95 176.36 3jr1 s LEU 131 N -1.15 3.16 0.00 2.99 2.96 -0.66 -4.33 118.68 121.65 3jr1 s LEU 131 Ca 0.13 -2.04 0.00 0.00 -0.22 0.00 0.00 54.13 52.00 3jr1 s LEU 131 Cb -0.10 -1.16 0.00 0.00 0.50 0.00 0.00 46.19 45.43 3jr1 s LEU 131 CO 0.03 -0.37 0.00 0.61 -1.32 0.00 0.00 176.35 175.30 3jr1 n GLY 132 N 4.35 1.20 0.19 7.98 0.00 -1.26 -3.15 105.19 114.49 3jr1 n GLY 132 Ca 0.02 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.32 3jr1 n GLY 132 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3jr1 n PRO 133 N 8.49 1.00 -5.02 1.61 -0.04 -1.26 -4.81 135.00 134.97 3jr1 n PRO 133 Ca 0.00 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 3jr1 n PRO 133 Cb 0.00 -1.19 -0.15 0.00 -0.04 0.00 0.00 33.50 32.12 3jr1 n PRO 133 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3jr1 s ILE 134 N -1.63 1.81 0.44 0.52 -5.25 -1.19 -5.13 121.20 110.77 3jr1 s ILE 134 Ca 0.00 -1.05 -0.05 0.00 -0.99 0.00 0.00 60.65 58.56 3jr1 s ILE 134 Cb 0.00 -1.52 -0.04 0.00 2.95 0.00 0.00 42.46 43.85 3jr1 s ILE 134 CO 0.00 0.44 0.73 -0.72 -1.79 0.00 0.00 174.94 173.60 3jr1 s TYR 135 N -0.60 3.53 -0.29 1.37 -0.85 -1.26 -1.66 117.35 117.59 3jr1 s TYR 135 Ca 0.09 0.78 -0.04 0.00 -0.52 0.00 0.00 57.07 57.37 3jr1 s TYR 135 Cb -0.09 -2.26 0.03 0.00 0.38 0.00 0.00 41.96 40.02 3jr1 s TYR 135 CO -0.00 -0.16 0.03 -0.65 -1.52 0.00 0.00 175.55 173.24 3jr1 s GLN 136 N -4.44 2.78 0.05 -3.49 -0.21 0.18 -4.90 119.66 109.62 3jr1 s GLN 136 Ca 0.47 -1.05 -0.33 0.00 0.02 0.00 0.00 55.36 54.48 3jr1 s GLN 136 Cb -0.10 -3.24 -0.12 0.00 1.00 0.00 0.00 33.01 30.56 3jr1 s GLN 136 CO 0.40 -0.51 1.82 -2.30 -2.12 0.00 0.00 175.29 172.58 3jr1 n PRO 137 N 4.74 2.46 -0.19 2.91 -0.02 -1.26 -3.51 135.00 140.14 3jr1 n PRO 137 Ca -0.14 0.90 0.07 0.00 -2.02 0.00 0.00 63.50 62.31 3jr1 n PRO 137 Cb 0.46 -2.76 0.16 0.00 -0.02 0.00 0.00 33.50 31.34 3jr1 n PRO 137 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3jr1 n ASN 138 N 5.75 2.84 -4.70 2.55 3.02 -1.26 -4.90 115.26 118.56 3jr1 n ASN 138 Ca 0.20 -2.76 -0.43 0.00 -0.03 0.00 0.00 54.58 51.56 3jr1 n ASN 138 Cb 0.33 -0.37 -0.02 0.00 -0.61 0.00 0.00 39.78 39.11 3jr1 n ASN 138 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3jr1 n ASP 139 N -0.76 2.99 -4.77 6.41 5.75 -1.26 -1.62 116.55 123.28 3jr1 n ASP 139 Ca 0.14 1.17 -0.39 0.00 -0.01 0.00 0.00 54.79 55.70 3jr1 n ASP 139 Cb 0.63 -1.48 -0.01 0.00 -1.03 0.00 0.00 41.12 39.22 3jr1 n ASP 139 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 3jr1 s TRP 140 N -0.39 2.95 -0.06 2.11 0.52 -1.26 -4.70 118.94 118.11 3jr1 s TRP 140 Ca 0.63 1.46 -0.05 0.00 0.02 0.00 0.00 56.10 58.16 3jr1 s TRP 140 Cb -0.59 -3.59 0.02 0.00 -1.15 0.00 0.00 33.47 28.15 3jr1 s TRP 140 CO 0.54 -1.81 0.14 -0.65 0.02 0.00 0.00 176.95 175.20 3jr1 s GLN 141 N -2.13 0.15 0.28 4.98 -1.52 -0.81 -4.96 119.66 115.65 3jr1 s GLN 141 Ca 0.55 0.24 0.15 0.00 -1.95 0.00 0.00 55.36 54.35 3jr1 s GLN 141 Cb -0.36 0.03 0.14 0.00 -0.22 0.00 0.00 33.01 32.59 3jr1 s GLN 141 CO 0.47 -0.05 1.47 1.79 -0.25 0.00 0.00 175.29 178.72 3jr1 h THR 142 N 5.17 0.93 -3.65 -0.19 1.35 -1.88 -0.85 112.91 113.79 3jr1 h THR 142 Ca -0.29 -2.22 -0.65 0.00 -0.55 0.00 0.00 66.41 62.70 3jr1 h THR 142 Cb 1.19 2.39 -0.16 0.00 -1.73 0.00 0.00 68.15 69.84 3jr1 h THR 142 CO 0.42 0.51 -0.19 -0.55 -0.25 0.00 0.00 175.52 175.46 3jr1 s SER 143 N -6.47 6.24 0.18 5.36 0.15 -1.26 -4.85 113.70 113.04 3jr1 s SER 143 Ca 0.03 -0.09 -0.12 0.00 0.70 0.00 0.00 55.95 56.47 3jr1 s SER 143 Cb 0.08 -2.22 0.09 0.00 -1.71 0.00 0.00 66.02 62.26 3jr1 s SER 143 CO 0.74 -0.37 1.77 -0.25 1.20 0.00 0.00 173.24 176.33 3jr1 h TRP 144 N 8.42 0.89 -0.61 3.44 2.91 -1.84 -1.35 115.95 127.81 3jr1 h TRP 144 Ca -0.29 -0.04 0.11 0.00 1.13 0.00 0.00 58.89 59.80 3jr1 h TRP 144 Cb 1.14 -0.28 -0.08 0.00 -0.51 0.00 0.00 29.16 29.43 3jr1 h TRP 144 CO 0.71 0.66 0.17 0.00 -1.03 0.00 0.00 178.44 178.95 3jr1 h ALA 145 N 1.14 0.75 -0.13 2.65 0.00 -1.78 0.13 119.26 122.01 3jr1 h ALA 145 Ca 0.21 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 3jr1 h ALA 145 Cb 0.10 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3jr1 h ALA 145 CO -0.03 -0.27 -0.09 -0.22 0.00 0.00 0.00 179.25 178.64 3jr1 h LYS 146 N 0.31 0.30 0.20 0.00 3.64 -1.88 -2.39 116.57 116.75 3jr1 h LYS 146 Ca 0.32 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 59.56 3jr1 h LYS 146 Cb 0.45 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 3jr1 h LYS 146 CO -0.37 0.66 -0.23 0.35 -2.27 0.00 0.00 179.45 177.59 3jr1 h PHE 147 N -0.06 -0.60 -0.22 1.91 3.04 -0.58 -1.24 116.94 119.19 3jr1 h PHE 147 Ca 0.03 0.01 -0.13 0.00 3.98 0.00 0.00 57.97 61.85 3jr1 h PHE 147 Cb 0.59 0.24 -0.00 0.00 2.56 0.00 0.00 35.95 39.34 3jr1 h PHE 147 CO 0.08 -0.34 -0.37 0.35 -2.02 0.00 0.00 178.31 176.01 3jr1 h PHE 148 N -0.48 0.80 -0.63 0.41 3.57 -0.86 0.25 116.94 120.01 3jr1 h PHE 148 Ca 0.00 -0.28 0.09 0.00 3.53 0.00 0.00 57.97 61.32 3jr1 h PHE 148 Cb 0.45 -0.15 -0.07 0.00 2.79 0.00 0.00 35.95 38.97 3jr1 h PHE 148 CO -0.17 1.03 0.25 1.03 -2.23 0.00 0.00 178.31 178.23 3jr1 h SER 149 N 0.34 0.27 0.00 0.41 0.87 -1.41 -1.25 113.55 112.79 3jr1 h SER 149 Ca 0.02 0.08 -0.21 0.00 -1.23 0.00 0.00 61.79 60.44 3jr1 h SER 149 Cb 0.96 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.94 3jr1 h SER 149 CO 0.08 0.16 -1.67 -0.62 -0.53 0.00 0.00 176.83 174.25 3jr1 n GLU 150 N -4.97 0.55 0.09 2.24 1.02 -0.47 -0.94 120.64 118.17 3jr1 n GLU 150 Ca 0.09 0.26 0.09 0.00 -0.02 0.00 0.00 57.16 57.58 3jr1 n GLU 150 Cb 0.28 -1.48 0.40 0.00 -0.02 0.00 0.00 31.44 30.63 3jr1 n GLU 150 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3jr1 n ASN 151 N -4.37 0.40 0.00 1.62 4.13 0.07 -1.52 115.26 115.59 3jr1 n ASN 151 Ca -0.32 0.62 0.00 0.00 1.68 0.00 0.00 54.58 56.56 3jr1 n ASN 151 Cb 0.68 -0.70 0.00 0.00 -1.54 0.00 0.00 39.78 38.22 3jr1 n ASN 151 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3jr1 n ARG 152 N -1.96 0.00 0.06 3.52 5.12 -1.08 -4.28 116.66 118.04 3jr1 n ARG 152 Ca 0.02 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.81 3jr1 n ARG 152 Cb 0.15 -0.04 -0.08 0.00 -1.16 0.00 0.00 32.46 31.33 3jr1 n ARG 152 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 3jr1 h ILE 153 N 0.00 1.05 -0.32 0.55 1.08 -1.31 -1.90 117.51 116.66 3jr1 h ILE 153 Ca 0.00 -0.62 -0.01 0.00 -0.39 0.00 0.00 64.86 63.85 3jr1 h ILE 153 Cb 0.00 1.45 -0.02 0.00 -3.07 0.00 0.00 36.82 35.18 3jr1 h ILE 153 CO 0.00 0.15 0.18 1.23 -0.69 0.00 0.00 178.15 179.02 3jr1 h GLY 154 N -0.43 0.48 0.71 5.37 0.00 -1.04 -1.38 103.07 106.78 3jr1 h GLY 154 Ca -0.01 -0.22 0.03 0.00 0.00 0.00 0.00 47.33 47.12 3jr1 h GLY 154 CO 0.02 0.21 -0.06 -0.25 0.00 0.00 0.00 176.54 176.46 3jr1 h TRP 155 N 0.40 -0.15 -0.44 5.60 2.91 -1.28 -1.88 115.95 121.11 3jr1 h TRP 155 Ca 0.11 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.10 3jr1 h TRP 155 Cb 0.05 0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 28.76 3jr1 h TRP 155 CO -0.03 -0.10 0.09 1.96 -1.03 0.00 0.00 178.44 179.33 3jr1 h GLN 156 N -0.06 0.67 -0.56 2.65 1.08 -1.20 -2.20 115.11 115.48 3jr1 h GLN 156 Ca 0.06 -0.13 -0.05 0.00 -1.45 0.00 0.00 58.65 57.08 3jr1 h GLN 156 Cb 0.15 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 3jr1 h GLN 156 CO -0.14 0.62 0.15 -0.07 -0.95 0.00 0.00 178.83 178.44 3jr1 h LEU 157 N 0.65 0.84 -0.59 1.46 3.38 -0.83 -0.60 115.31 119.62 3jr1 h LEU 157 Ca 0.14 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3jr1 h LEU 157 Cb 0.27 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3jr1 h LEU 157 CO -0.00 0.84 0.26 1.56 0.09 0.00 0.00 178.44 181.19 3jr1 h GLN 158 N 0.80 0.86 -0.50 1.13 4.20 -1.10 -0.16 115.11 120.33 3jr1 h GLN 158 Ca 0.18 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 3jr1 h GLN 158 Cb 0.32 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 3jr1 h GLN 158 CO -0.00 0.71 0.26 0.82 -0.67 0.00 0.00 178.83 179.96 3jr1 h ILE 159 N 0.80 1.18 -0.78 2.54 2.04 -1.23 -2.34 117.51 119.71 3jr1 h ILE 159 Ca 0.20 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.60 3jr1 h ILE 159 Cb 0.16 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 3jr1 h ILE 159 CO -0.02 0.19 0.51 0.00 0.00 0.00 0.00 178.15 178.83 3jr1 h LYS 161 N 1.06 1.01 -0.86 0.00 3.64 -0.57 -0.15 116.57 120.70 3jr1 h LYS 161 Ca 0.28 -0.09 0.11 0.00 -1.27 0.00 0.00 60.65 59.68 3jr1 h LYS 161 Cb -0.11 -0.21 -0.08 0.00 -0.41 0.00 0.00 32.23 31.42 3jr1 h LYS 161 CO -0.06 0.72 0.49 0.93 -2.27 0.00 0.00 179.45 179.27 3jr1 h GLU 162 N 1.03 0.77 0.00 1.90 5.08 -0.87 -1.00 114.58 121.49 3jr1 h GLU 162 Ca 0.27 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3jr1 h GLU 162 Cb -0.02 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.06 3jr1 h GLU 162 CO -0.05 0.51 -0.07 1.17 -1.00 0.00 0.00 179.01 179.57 3jr1 n LYS 163 N -4.75 0.09 -0.10 2.33 3.00 -0.81 -4.91 118.16 113.00 3jr1 n LYS 163 Ca 0.15 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.53 3jr1 n LYS 163 Cb 0.33 -1.59 0.00 0.00 0.00 0.00 0.00 35.03 33.77 3jr1 n LYS 163 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3jr1 n GLY 164 N 1.44 0.94 3.41 3.14 0.00 -0.38 -5.04 105.19 108.71 3jr1 n GLY 164 Ca 0.06 -0.05 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 3jr1 n GLY 164 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jr1 s LEU 165 N 0.00 5.05 -0.32 0.99 1.43 -0.13 -4.98 118.68 120.72 3jr1 s LEU 165 Ca 0.00 -1.44 -0.05 0.00 -1.03 0.00 0.00 54.13 51.61 3jr1 s LEU 165 Cb 0.00 -2.35 0.04 0.00 0.03 0.00 0.00 46.19 43.91 3jr1 s LEU 165 CO 0.00 -1.20 0.07 -0.63 0.23 0.00 0.00 176.35 174.82 3jr1 s ILE 166 N 3.05 3.54 -1.18 -0.59 1.01 -1.26 -3.24 121.20 122.52 3jr1 s ILE 166 Ca 0.19 -1.18 0.20 0.00 0.00 0.00 0.00 60.65 59.86 3jr1 s ILE 166 Cb -0.18 -3.00 -0.16 0.00 0.01 0.00 0.00 42.46 39.14 3jr1 s ILE 166 CO 0.04 -0.13 0.88 0.49 0.00 0.00 0.00 174.94 176.22 3jr1 n PHE 167 N 4.76 0.00 -0.83 3.97 3.72 -1.26 -5.08 117.46 122.73 3jr1 n PHE 167 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 3jr1 n PHE 167 Cb 0.44 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 3jr1 n PHE 167 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3jr1 n GLY 168 N 1.43 -1.39 3.71 1.37 0.00 -1.26 -4.91 105.19 104.14 3jr1 n GLY 168 Ca 0.05 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 3jr1 n GLY 168 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3jr1 s ASN 169 N -1.21 6.78 0.17 1.61 3.84 -1.26 -4.94 114.94 119.93 3jr1 s ASN 169 Ca 0.00 2.36 -0.07 0.00 0.21 0.00 0.00 52.86 55.37 3jr1 s ASN 169 Cb 0.00 -2.58 0.06 0.00 -0.55 0.00 0.00 41.25 38.17 3jr1 s ASN 169 CO 0.00 -0.70 1.50 0.40 -2.79 0.00 0.00 177.10 175.52 3jr1 h ILE 170 N 4.30 1.29 -0.50 -5.21 2.04 -1.99 -2.44 117.51 114.99 3jr1 h ILE 170 Ca -0.42 -1.64 -0.09 0.00 1.00 0.00 0.00 64.86 63.71 3jr1 h ILE 170 Cb 1.21 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.81 3jr1 h ILE 170 CO 0.88 0.53 -0.05 0.44 0.00 0.00 0.00 178.15 179.95 3jr1 h ASP 171 N 0.60 0.86 0.08 1.72 3.32 -1.99 -0.83 116.42 120.18 3jr1 h ASP 171 Ca 0.04 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 3jr1 h ASP 171 Cb 1.01 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.33 3jr1 h ASP 171 CO 0.10 0.95 -0.04 0.25 -1.72 0.00 0.00 179.24 178.78 3jr1 h LEU 172 N 0.80 -0.09 -0.46 1.55 5.85 -1.91 0.60 115.31 121.65 3jr1 h LEU 172 Ca 0.14 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.77 3jr1 h LEU 172 Cb 0.55 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 3jr1 h LEU 172 CO 0.03 0.05 0.30 0.40 -0.34 0.00 0.00 178.44 178.87 3jr1 h ILE 173 N -0.22 1.11 -0.22 4.05 2.04 -1.35 -0.81 117.51 122.09 3jr1 h ILE 173 Ca -0.01 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3jr1 h ILE 173 Cb 0.19 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3jr1 h ILE 173 CO 0.02 0.11 0.14 0.58 0.00 0.00 0.00 178.15 179.00 3jr1 h VAL 174 N 0.61 1.07 -0.68 1.67 2.07 -0.91 -1.44 116.25 118.64 3jr1 h VAL 174 Ca 0.17 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 3jr1 h VAL 174 Cb -0.06 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 3jr1 h VAL 174 CO -0.04 0.07 0.35 1.56 0.02 0.00 0.00 177.57 179.53 3jr1 h GLN 175 N 0.29 0.96 -0.85 1.57 4.20 -0.66 0.03 115.11 120.65 3jr1 h GLN 175 Ca 0.08 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 3jr1 h GLN 175 Cb -0.01 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.54 3jr1 h GLN 175 CO -0.02 0.74 0.52 0.82 -0.67 0.00 0.00 178.83 180.22 3jr1 h ILE 176 N 0.94 1.23 -0.47 2.54 2.04 -0.91 0.23 117.51 123.12 3jr1 h ILE 176 Ca 0.24 -0.50 -0.12 0.00 1.00 0.00 0.00 64.86 65.48 3jr1 h ILE 176 Cb 0.07 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.18 3jr1 h ILE 176 CO -0.03 0.24 -0.17 0.58 0.00 0.00 0.00 178.15 178.77 3jr1 h VAL 177 N 1.16 1.27 -0.54 1.67 2.07 -0.86 -1.90 116.25 119.13 3jr1 h VAL 177 Ca 0.30 -1.31 -0.10 0.00 0.82 0.00 0.00 66.70 66.41 3jr1 h VAL 177 Cb -0.06 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3jr1 h VAL 177 CO -0.06 0.45 -0.05 0.00 0.02 0.00 0.00 177.57 177.93 3jr1 h ALA 178 N 0.86 0.89 -0.32 1.67 0.00 -0.70 -2.49 119.26 119.18 3jr1 h ALA 178 Ca 0.11 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.73 3jr1 h ALA 178 Cb 0.73 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3jr1 h ALA 178 CO 0.06 0.64 0.13 -0.44 0.00 0.00 0.00 179.25 179.64 3jr1 h ASP 179 N 0.87 0.17 -0.64 0.00 3.32 -0.35 -0.83 116.42 118.97 3jr1 h ASP 179 Ca 0.15 0.03 0.07 0.00 0.02 0.00 0.00 57.03 57.30 3jr1 h ASP 179 Cb 0.58 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 3jr1 h ASP 179 CO 0.03 0.13 0.42 0.74 -1.72 0.00 0.00 179.24 178.85 3jr1 h THR 180 N 0.28 0.98 -0.34 0.35 2.02 -1.02 -1.16 112.91 114.02 3jr1 h THR 180 Ca 0.14 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3jr1 h THR 180 Cb 0.09 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 3jr1 h THR 180 CO -0.12 0.11 0.00 0.18 0.37 0.00 0.00 175.52 176.05 3jr1 n LEU 181 N -4.48 2.80 -0.33 2.58 4.77 -0.97 -4.63 117.00 116.75 3jr1 n LEU 181 Ca 0.09 -1.22 0.20 0.00 -0.03 0.00 0.00 56.01 55.05 3jr1 n LEU 181 Cb 0.27 -0.22 0.39 0.00 -2.33 0.00 0.00 43.42 41.53 3jr1 n LEU 181 CO 0.34 0.61 0.91 -1.28 -1.33 0.00 0.00 177.39 176.64 3jr1 h SER 182 N 3.58 -0.16 -0.16 -1.43 0.87 0.15 -0.22 113.55 116.19 3jr1 h SER 182 Ca 0.00 0.26 -0.02 0.00 -1.23 0.00 0.00 61.79 60.81 3jr1 h SER 182 Cb 0.79 0.39 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 3jr1 h SER 182 CO 0.00 -0.35 -0.02 0.29 -0.53 0.00 0.00 176.83 176.21 3jr1 n LYS 183 N -5.38 2.16 -3.89 2.24 4.76 -1.26 -4.94 118.16 111.86 3jr1 n LYS 183 Ca 0.28 -2.79 -0.34 0.00 -2.87 0.00 0.00 58.31 52.59 3jr1 n LYS 183 Cb 0.92 -1.71 -0.13 0.00 -1.84 0.00 0.00 35.03 32.27 3jr1 n LYS 183 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 3jr1 s HIS 184 N -2.90 3.63 -0.62 2.13 2.46 -0.09 -4.98 115.29 114.92 3jr1 s HIS 184 Ca 0.38 -2.73 0.04 0.00 0.47 0.00 0.00 55.06 53.23 3jr1 s HIS 184 Cb 0.33 -3.08 0.16 0.00 -0.13 0.00 0.00 32.58 29.86 3jr1 s HIS 184 CO 0.05 -0.94 0.42 -0.80 -2.47 0.00 0.00 174.74 171.00 3jr1 s ASN 185 N 1.25 4.18 0.66 9.88 -0.87 -1.26 -4.45 114.94 124.32 3jr1 s ASN 185 Ca 0.10 -3.55 -0.11 0.00 -1.57 0.00 0.00 52.86 47.73 3jr1 s ASN 185 Cb -0.21 -1.41 -0.02 0.00 -0.02 0.00 0.00 41.25 39.59 3jr1 s ASN 185 CO -0.06 -0.13 1.05 -2.16 -2.57 0.00 0.00 177.10 173.24 3jr1 s PRO 186 N -0.96 3.26 0.17 -0.60 0.04 -1.26 -4.97 135.00 130.68 3jr1 s PRO 186 Ca 0.25 0.76 -0.33 0.00 0.04 0.00 0.00 61.00 61.72 3jr1 s PRO 186 Cb -0.07 -2.04 -0.16 0.00 0.04 0.00 0.00 34.50 32.26 3jr1 s PRO 186 CO -0.14 -0.82 1.04 1.17 0.04 0.00 0.00 177.00 178.30 3jr1 n LYS 187 N -2.91 0.87 -2.39 4.56 4.81 -1.26 -4.87 118.16 116.96 3jr1 n LYS 187 Ca 0.07 0.31 -0.41 0.00 -0.87 0.00 0.00 58.31 57.41 3jr1 n LYS 187 Cb 0.54 -1.72 -0.04 0.00 0.02 0.00 0.00 35.03 33.83 3jr1 n LYS 187 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 3jr1 s PRO 188 N -0.52 4.54 -0.02 1.64 0.02 -1.26 -4.72 135.00 134.67 3jr1 s PRO 188 Ca 0.73 1.88 0.06 0.00 0.02 0.00 0.00 61.00 63.68 3jr1 s PRO 188 Cb -0.90 -3.20 -0.01 0.00 0.02 0.00 0.00 34.50 30.40 3jr1 s PRO 188 CO 0.54 0.02 -0.20 -1.12 -0.33 0.00 0.00 177.00 175.92 3jr1 s SER 189 N -0.33 2.33 -0.25 2.53 0.01 0.26 -4.64 113.70 113.61 3jr1 s SER 189 Ca 0.49 -0.37 -0.29 0.00 1.31 0.00 0.00 55.95 57.09 3jr1 s SER 189 Cb -0.33 -0.36 -0.01 0.00 0.21 0.00 0.00 66.02 65.53 3jr1 s SER 189 CO 0.40 0.23 1.34 -0.51 0.41 0.00 0.00 173.24 175.10 3jr1 s ILE 190 N -0.34 4.11 0.09 1.44 1.10 -1.26 -1.18 121.20 125.15 3jr1 s ILE 190 Ca 0.05 1.27 -0.02 0.00 -0.51 0.00 0.00 60.65 61.44 3jr1 s ILE 190 Cb -0.09 -4.04 -0.05 0.00 0.15 0.00 0.00 42.46 38.43 3jr1 s ILE 190 CO 0.00 -0.36 0.28 -0.76 -2.11 0.00 0.00 174.94 171.99 3jr1 s LEU 191 N 4.26 4.32 0.08 8.50 1.43 -0.25 -4.56 118.68 132.46 3jr1 s LEU 191 Ca 0.58 0.41 -0.20 0.00 -1.03 0.00 0.00 54.13 53.89 3jr1 s LEU 191 Cb -0.19 -3.08 -0.10 0.00 0.03 0.00 0.00 46.19 42.84 3jr1 s LEU 191 CO 0.22 0.13 1.61 -0.74 0.23 0.00 0.00 176.35 177.80 3jr1 h HIS 192 N 3.03 0.27 0.00 0.29 -0.00 -1.90 -3.29 115.15 113.54 3jr1 h HIS 192 Ca -0.46 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 59.89 3jr1 h HIS 192 Cb 1.16 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 28.49 3jr1 h HIS 192 CO 0.61 0.34 0.00 0.41 -0.00 0.00 0.00 177.93 179.30 3jr1 n GLY 193 N -0.66 1.48 2.75 5.26 0.00 -1.26 -1.41 105.19 111.35 3jr1 n GLY 193 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.96 3jr1 n GLY 193 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3jr1 n ASN 194 N 0.00 0.26 -4.50 1.61 5.15 -1.26 -4.58 115.26 111.94 3jr1 n ASN 194 Ca 0.00 -2.19 -0.42 0.00 -0.60 0.00 0.00 54.58 51.37 3jr1 n ASN 194 Cb 0.00 0.03 -0.03 0.00 -0.53 0.00 0.00 39.78 39.25 3jr1 n ASN 194 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3jr1 s LEU 195 N -3.81 4.13 0.24 1.20 2.96 -1.26 -4.80 118.68 117.34 3jr1 s LEU 195 Ca 0.20 -1.34 -0.12 0.00 -0.22 0.00 0.00 54.13 52.65 3jr1 s LEU 195 Cb 0.38 -2.48 -0.01 0.00 0.50 0.00 0.00 46.19 44.59 3jr1 s LEU 195 CO -0.07 -1.42 0.45 -1.66 -1.32 0.00 0.00 176.35 172.34 3jr1 s TRP 196 N 4.20 0.42 0.34 5.38 1.48 -1.26 -2.26 118.94 127.23 3jr1 s TRP 196 Ca 0.34 -0.77 0.07 0.00 -1.06 0.00 0.00 56.10 54.68 3jr1 s TRP 196 Cb -0.07 0.13 0.76 0.00 -1.16 0.00 0.00 33.47 33.13 3jr1 s TRP 196 CO -0.01 -0.96 1.85 0.97 -4.06 0.00 0.00 176.95 174.74 3jr1 h ILE 197 N 2.28 0.84 0.00 0.66 6.09 -1.85 -2.20 117.51 123.34 3jr1 h ILE 197 Ca -0.27 -0.26 -0.01 0.00 -1.37 0.00 0.00 64.86 62.95 3jr1 h ILE 197 Cb 1.25 0.01 -0.00 0.00 0.47 0.00 0.00 36.82 38.55 3jr1 h ILE 197 CO 0.37 0.14 -0.05 -0.33 -3.07 0.00 0.00 178.15 175.20 3jr1 h GLU 198 N 0.76 0.00 -0.64 2.19 4.39 -1.95 -1.67 114.58 117.66 3jr1 h GLU 198 Ca 0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.17 3jr1 h GLU 198 Cb 0.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 3jr1 h GLU 198 CO -0.23 0.05 0.00 0.09 -1.16 0.00 0.00 179.01 177.76 3jr1 n ASN 199 N -3.59 4.11 -4.72 1.42 3.02 -0.83 -4.93 115.26 109.74 3jr1 n ASN 199 Ca -0.02 -2.36 -0.33 0.00 -0.03 0.00 0.00 54.58 51.83 3jr1 n ASN 199 Cb 0.16 -0.53 -0.08 0.00 -0.61 0.00 0.00 39.78 38.72 3jr1 n ASN 199 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jr1 s ILE 201 N -1.07 0.23 -0.17 0.00 1.01 0.86 -4.97 121.20 117.09 3jr1 s ILE 201 Ca 0.19 0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.71 3jr1 s ILE 201 Cb -0.12 -0.38 -0.01 0.00 0.01 0.00 0.00 42.46 41.96 3jr1 s ILE 201 CO 0.09 0.21 1.13 -1.58 0.00 0.00 0.00 174.94 174.79 3jr1 s GLN 202 N 1.70 4.28 -0.31 2.79 2.00 -1.26 -0.71 119.66 128.15 3jr1 s GLN 202 Ca 0.00 1.50 0.02 0.00 -2.00 0.00 0.00 55.36 54.88 3jr1 s GLN 202 Cb -0.13 -3.66 0.09 0.00 0.80 0.00 0.00 33.01 30.12 3jr1 s GLN 202 CO -0.03 -0.59 0.05 0.08 -0.50 0.00 0.00 175.29 174.29 3jr1 s VAL 203 N 3.03 1.61 0.00 1.34 1.01 0.04 -0.84 120.40 126.59 3jr1 s VAL 203 Ca 0.49 -1.78 0.00 0.00 0.00 0.00 0.00 61.98 60.70 3jr1 s VAL 203 Cb -0.19 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.06 3jr1 s VAL 203 CO 0.12 -0.53 0.00 0.47 0.00 0.00 0.00 175.10 175.16 3jr1 n ASP 204 N 4.55 0.00 0.01 3.32 8.00 -1.26 -2.21 116.55 128.96 3jr1 n ASP 204 Ca -0.01 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.60 3jr1 n ASP 204 Cb 0.42 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.59 3jr1 n ASP 204 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3jr1 n ASP 205 N 9.88 0.69 -4.58 -2.24 5.75 -1.26 -4.93 116.55 119.87 3jr1 n ASP 205 Ca 0.00 -0.49 -0.24 0.00 -0.01 0.00 0.00 54.79 54.05 3jr1 n ASP 205 Cb 0.00 0.65 -0.08 0.00 -1.03 0.00 0.00 41.12 40.66 3jr1 n ASP 205 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3jr1 s LYS 206 N -3.05 2.06 -0.17 0.11 1.02 -0.94 -4.72 119.74 114.05 3jr1 s LYS 206 Ca 0.08 -1.50 -0.10 0.00 0.02 0.00 0.00 55.97 54.48 3jr1 s LYS 206 Cb 0.16 -2.04 -0.05 0.00 -0.52 0.00 0.00 37.83 35.39 3jr1 s LYS 206 CO 0.78 0.37 0.16 0.42 -0.92 0.00 0.00 175.35 176.16 3jr1 s ILE 207 N -2.25 5.42 0.13 2.17 -1.09 -1.26 -0.78 121.20 123.53 3jr1 s ILE 207 Ca 0.30 0.25 0.06 0.00 -2.23 0.00 0.00 60.65 59.03 3jr1 s ILE 207 Cb -0.06 -3.47 -0.04 0.00 -1.58 0.00 0.00 42.46 37.30 3jr1 s ILE 207 CO 0.17 0.49 -0.03 -0.36 -1.23 0.00 0.00 174.94 173.98 3jr1 s PHE 208 N -0.06 2.86 -0.03 3.97 0.40 0.11 -4.31 117.98 120.92 3jr1 s PHE 208 Ca 0.11 -0.11 0.04 0.00 -0.60 0.00 0.00 56.93 56.38 3jr1 s PHE 208 Cb -0.12 -1.44 -0.01 0.00 0.51 0.00 0.00 43.02 41.96 3jr1 s PHE 208 CO 0.01 0.48 -0.16 0.54 0.70 0.00 0.00 175.22 176.79 3jr1 s VAL 209 N -1.45 1.27 0.39 -0.44 0.11 -0.76 -0.10 120.40 119.42 3jr1 s VAL 209 Ca 0.25 -0.65 0.01 0.00 -2.93 0.00 0.00 61.98 58.66 3jr1 s VAL 209 Cb -0.11 -1.08 0.01 0.00 -1.53 0.00 0.00 36.38 33.68 3jr1 s VAL 209 CO 0.17 0.37 0.10 0.00 -3.33 0.00 0.00 175.10 172.40 3jr1 n ASN 211 N -1.44 -2.80 -4.71 0.00 3.02 -1.26 -4.88 115.26 103.18 3jr1 n ASN 211 Ca -0.11 -1.09 -0.31 0.00 -0.03 0.00 0.00 54.58 53.04 3jr1 n ASN 211 Cb 0.47 -2.78 0.14 0.00 -0.61 0.00 0.00 39.78 37.00 3jr1 n ASN 211 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3jr1 s PRO 212 N -6.58 1.49 -0.38 3.52 0.04 -1.26 -4.67 135.00 127.15 3jr1 s PRO 212 Ca 0.27 1.31 0.12 0.00 0.04 0.00 0.00 61.00 62.75 3jr1 s PRO 212 Cb -0.12 -1.80 0.39 0.00 0.04 0.00 0.00 34.50 33.02 3jr1 s PRO 212 CO 0.90 -2.23 1.06 0.00 0.04 0.00 0.00 177.00 176.78 3jr1 n ALA 213 N -3.94 1.69 -1.09 8.56 0.00 -0.50 -4.70 120.51 120.53 3jr1 n ALA 213 Ca 0.10 -2.32 -0.33 0.00 0.00 0.00 0.00 53.44 50.89 3jr1 n ALA 213 Cb 0.53 -1.00 0.13 0.00 0.00 0.00 0.00 19.45 19.11 3jr1 n ALA 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jr1 s TYR 215 N -2.18 -0.03 -0.31 0.00 1.13 -1.24 -4.60 117.35 110.12 3jr1 s TYR 215 Ca 0.73 0.02 -0.22 0.00 -1.41 0.00 0.00 57.07 56.18 3jr1 s TYR 215 Cb -0.28 0.50 -0.00 0.00 -1.10 0.00 0.00 41.96 41.08 3jr1 s TYR 215 CO 0.51 -0.05 0.70 -1.58 -2.51 0.00 0.00 175.55 172.63 3jr1 s TRP 216 N -2.09 3.21 0.00 -3.49 0.52 0.18 -1.09 118.94 116.17 3jr1 s TRP 216 Ca 0.12 0.69 0.00 0.00 0.02 0.00 0.00 56.10 56.92 3jr1 s TRP 216 Cb -0.00 -3.10 0.00 0.00 -1.15 0.00 0.00 33.47 29.22 3jr1 s TRP 216 CO -0.03 -0.52 0.00 0.41 0.02 0.00 0.00 176.95 176.83 3jr1 n GLY 217 N 4.32 3.90 3.65 0.98 0.00 -0.32 -1.05 105.19 116.67 3jr1 n GLY 217 Ca 0.01 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 3jr1 n GLY 217 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jr1 s ASP 218 N 1.70 6.96 0.47 1.61 -1.08 -1.26 -0.58 116.67 124.49 3jr1 s ASP 218 Ca 0.00 1.18 0.30 0.00 -0.52 0.00 0.00 52.55 53.51 3jr1 s ASP 218 Cb 0.00 -2.49 1.38 0.00 -1.46 0.00 0.00 42.92 40.34 3jr1 s ASP 218 CO 0.00 -0.62 1.74 0.08 0.52 0.00 0.00 175.17 176.89 3jr1 h ARG 219 N 7.63 0.16 -0.11 4.34 0.11 -1.84 -0.09 114.38 124.57 3jr1 h ARG 219 Ca -0.21 -0.01 0.03 0.00 0.10 0.00 0.00 59.98 59.89 3jr1 h ARG 219 Cb 1.07 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 32.11 3jr1 h ARG 219 CO 0.94 0.10 0.18 0.93 0.10 0.00 0.00 179.97 182.22 3jr1 h GLU 220 N 0.16 0.00 -0.53 0.08 5.08 -1.99 -1.77 114.58 115.60 3jr1 h GLU 220 Ca 0.65 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 59.01 3jr1 h GLU 220 Cb 2.14 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.37 3jr1 h GLU 220 CO -0.19 0.00 0.35 0.00 -1.00 0.00 0.00 179.01 178.17 3jr1 h ASP 222 N 0.71 -0.35 -0.77 0.00 3.32 -1.50 -2.04 116.42 115.79 3jr1 h ASP 222 Ca 0.20 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.24 3jr1 h ASP 222 Cb -0.08 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 3jr1 h ASP 222 CO -0.04 -0.22 0.50 0.40 -1.72 0.00 0.00 179.24 178.16 3jr1 h ILE 223 N -0.46 1.18 -0.48 0.35 1.08 -1.52 -2.02 117.51 115.64 3jr1 h ILE 223 Ca -0.04 -0.35 -0.01 0.00 -0.39 0.00 0.00 64.86 64.06 3jr1 h ILE 223 Cb 0.35 0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 34.15 3jr1 h ILE 223 CO 0.07 0.19 0.25 0.00 -0.69 0.00 0.00 178.15 177.96 3jr1 h ALA 224 N 1.29 0.61 -0.58 1.87 0.00 -0.88 -2.74 119.26 118.83 3jr1 h ALA 224 Ca 0.29 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 3jr1 h ALA 224 Cb -0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3jr1 h ALA 224 CO -0.07 0.15 -0.06 0.35 0.00 0.00 0.00 179.25 179.62 3jr1 h PHE 225 N 0.63 1.18 0.00 0.00 3.57 -1.18 -2.95 116.94 118.19 3jr1 h PHE 225 Ca 0.17 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 61.44 3jr1 h PHE 225 Cb 0.08 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.52 3jr1 h PHE 225 CO -0.01 1.06 0.00 0.66 -2.23 0.00 0.00 178.31 177.78 3jr1 h SER 226 N 0.96 0.00 -0.28 0.41 4.64 -0.92 -1.38 113.55 116.97 3jr1 h SER 226 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3jr1 h SER 226 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3jr1 h SER 226 CO 0.04 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.46 3jr1 n SER 227 N -2.96 2.79 -0.02 4.97 3.41 -1.14 -3.06 113.62 117.60 3jr1 n SER 227 Ca -0.02 -1.85 -0.12 0.00 -0.26 0.00 0.00 58.87 56.61 3jr1 n SER 227 Cb 0.12 -0.19 -0.08 0.00 -0.26 0.00 0.00 64.21 63.81 3jr1 n SER 227 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3jr1 h LEU 228 N 2.51 0.12 0.00 1.04 5.85 -1.08 -3.43 115.31 120.31 3jr1 h LEU 228 Ca 0.00 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.38 3jr1 h LEU 228 Cb 0.71 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.70 3jr1 h LEU 228 CO 0.00 0.43 0.00 0.49 -0.34 0.00 0.00 178.44 179.02 3jr1 n PHE 229 N -4.84 0.00 -2.15 1.25 3.72 -1.26 -4.97 117.46 109.21 3jr1 n PHE 229 Ca -0.07 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.90 3jr1 n PHE 229 Cb 0.20 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.72 3jr1 n PHE 229 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3jr1 s GLU 230 N 3.27 3.82 0.51 -1.08 2.12 -1.26 -4.97 118.70 121.11 3jr1 s GLU 230 Ca 0.00 1.62 -0.06 0.00 0.36 0.00 0.00 54.97 56.89 3jr1 s GLU 230 Cb 0.00 -4.01 -0.03 0.00 0.26 0.00 0.00 34.13 30.35 3jr1 s GLU 230 CO 0.00 -1.26 0.82 -1.25 -0.54 0.00 0.00 175.26 173.03 3jr1 s PRO 231 N 4.59 3.44 0.78 4.30 0.04 -1.26 -4.51 135.00 142.38 3jr1 s PRO 231 Ca 0.69 0.20 -0.15 0.00 0.04 0.00 0.00 61.00 61.78 3jr1 s PRO 231 Cb -0.24 -2.34 0.04 0.00 0.04 0.00 0.00 34.50 32.00 3jr1 s PRO 231 CO 0.28 -0.31 1.01 1.19 0.04 0.00 0.00 177.00 179.21 3jr1 n PHE 232 N -2.34 0.70 -1.04 0.56 3.01 -1.17 -4.94 117.46 112.24 3jr1 n PHE 232 Ca 0.02 0.38 -0.30 0.00 1.01 0.00 0.00 57.45 58.56 3jr1 n PHE 232 Cb 0.55 -2.06 0.16 0.00 -0.01 0.00 0.00 39.48 38.12 3jr1 n PHE 232 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3jr1 s PRO 233 N -3.67 0.94 0.26 -1.08 0.04 -1.26 -4.89 135.00 125.34 3jr1 s PRO 233 Ca 0.72 0.94 -0.02 0.00 0.04 0.00 0.00 61.00 62.68 3jr1 s PRO 233 Cb -0.31 -1.76 0.53 0.00 0.04 0.00 0.00 34.50 32.99 3jr1 s PRO 233 CO 0.52 -2.49 1.74 1.15 0.04 0.00 0.00 177.00 177.96 3jr1 h THR 234 N -1.74 0.66 0.00 1.26 2.02 -1.99 -1.32 112.91 111.81 3jr1 h THR 234 Ca -0.50 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 66.50 3jr1 h THR 234 Cb 1.29 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.80 3jr1 h THR 234 CO 0.52 0.09 -0.01 -0.55 0.37 0.00 0.00 175.52 175.94 3jr1 h ASN 235 N 0.51 0.00 0.50 4.18 -1.07 -1.94 -1.73 115.58 116.04 3jr1 h ASN 235 Ca 0.45 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.80 3jr1 h ASN 235 Cb 0.70 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.95 3jr1 h ASN 235 CO -0.40 0.01 -0.24 0.15 0.07 0.00 0.00 177.43 177.02 3jr1 h PHE 236 N 0.00 -0.62 -0.96 4.14 3.57 -1.44 -2.18 116.94 119.45 3jr1 h PHE 236 Ca -0.00 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 3jr1 h PHE 236 Cb 0.07 0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.96 3jr1 h PHE 236 CO 0.00 -0.30 0.59 1.88 -2.23 0.00 0.00 178.31 178.25 3jr1 h TYR 237 N -1.03 1.25 0.18 0.41 0.05 -1.59 -0.18 116.97 116.07 3jr1 h TYR 237 Ca -0.07 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.73 3jr1 h TYR 237 Cb 0.60 -0.41 -0.03 0.00 1.01 0.00 0.00 36.73 37.89 3jr1 h TYR 237 CO 0.01 0.82 -0.31 0.37 -1.05 0.00 0.00 178.16 178.01 3jr1 h GLN 238 N 1.32 -0.55 -0.46 4.88 5.75 -1.38 -1.71 115.11 122.95 3jr1 h GLN 238 Ca 0.35 0.04 -0.10 0.00 -0.15 0.00 0.00 58.65 58.78 3jr1 h GLN 238 Cb -0.08 0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 3jr1 h GLN 238 CO -0.07 -0.36 -0.11 -0.09 -2.65 0.00 0.00 178.83 175.55 3jr1 h ARG 239 N -0.57 0.90 -0.59 1.69 9.65 -0.93 -2.44 114.38 122.09 3jr1 h ARG 239 Ca 0.01 -0.34 -0.01 0.00 -1.10 0.00 0.00 59.98 58.54 3jr1 h ARG 239 Cb 0.57 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.07 3jr1 h ARG 239 CO -0.14 0.99 0.34 -0.92 2.80 0.00 0.00 179.97 183.05 3jr1 h TYR 240 N 0.74 0.79 -0.10 2.20 3.20 -0.96 -2.03 116.97 120.81 3jr1 h TYR 240 Ca 0.12 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.90 3jr1 h TYR 240 Cb 0.66 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 3jr1 h TYR 240 CO 0.05 0.55 -0.29 -0.97 -1.64 0.00 0.00 178.16 175.86 3jr1 h ASN 241 N 0.80 0.18 -0.10 -2.11 -1.24 -1.27 0.13 115.58 111.97 3jr1 h ASN 241 Ca 0.21 -0.06 -0.08 0.00 0.71 0.00 0.00 56.30 57.08 3jr1 h ASN 241 Cb 0.01 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 38.99 3jr1 h ASN 241 CO -0.04 0.47 -0.19 -0.08 -1.29 0.00 0.00 177.43 176.31 3jr1 h GLU 242 N 0.16 0.50 0.07 6.67 4.81 -0.97 -2.73 114.58 123.09 3jr1 h GLU 242 Ca 0.02 -0.17 -0.30 0.00 -0.13 0.00 0.00 59.36 58.79 3jr1 h GLU 242 Cb 0.60 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 3jr1 h GLU 242 CO 0.04 0.67 -1.63 0.82 -0.73 0.00 0.00 179.01 178.18 3jr1 h ILE 243 N 0.45 0.78 -2.64 2.32 2.04 -0.67 -3.43 117.51 116.37 3jr1 h ILE 243 Ca 0.07 -2.28 -0.60 0.00 1.00 0.00 0.00 64.86 63.06 3jr1 h ILE 243 Cb 0.59 2.40 -0.40 0.00 -0.74 0.00 0.00 36.82 38.67 3jr1 h ILE 243 CO 0.04 0.63 -0.82 0.00 0.00 0.00 0.00 178.15 178.00 3jr1 n TYR 244 N -3.93 0.71 -1.62 1.37 4.19 0.40 -5.11 117.16 113.17 3jr1 n TYR 244 Ca -0.31 -3.70 -0.50 0.00 3.31 0.00 0.00 57.90 56.69 3jr1 n TYR 244 Cb 0.88 -0.08 -0.05 0.00 0.49 0.00 0.00 39.34 40.57 3jr1 n TYR 244 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 3jr1 n PRO 245 N 2.48 1.48 -1.99 2.98 -0.02 -1.03 -4.51 135.00 134.40 3jr1 n PRO 245 Ca 0.26 0.53 -0.41 0.00 -2.02 0.00 0.00 63.50 61.86 3jr1 n PRO 245 Cb 0.43 -2.22 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 3jr1 n PRO 245 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3jr1 s LEU 246 N 0.72 4.38 0.74 2.45 1.43 -1.26 -5.00 118.68 122.14 3jr1 s LEU 246 Ca 0.83 2.70 -0.11 0.00 -1.03 0.00 0.00 54.13 56.52 3jr1 s LEU 246 Cb -0.87 -3.63 0.04 0.00 0.03 0.00 0.00 46.19 41.76 3jr1 s LEU 246 CO 0.44 -0.72 1.09 -1.61 0.23 0.00 0.00 176.35 175.78 3jr1 s GLU 247 N -0.49 2.56 0.19 1.70 2.02 -1.26 -4.98 118.70 118.44 3jr1 s GLU 247 Ca 0.59 0.64 -0.33 0.00 0.02 0.00 0.00 54.97 55.89 3jr1 s GLU 247 Cb -0.42 -1.97 -0.13 0.00 0.10 0.00 0.00 34.13 31.71 3jr1 s GLU 247 CO 0.45 -1.29 1.66 -1.91 0.02 0.00 0.00 175.26 174.18 3jr1 n GLU 248 N -3.21 2.51 0.00 1.61 4.07 -1.26 -2.55 120.64 121.81 3jr1 n GLU 248 Ca 0.07 0.91 0.00 0.00 -0.06 0.00 0.00 57.16 58.07 3jr1 n GLU 248 Cb 0.56 -2.72 0.00 0.00 -0.06 0.00 0.00 31.44 29.22 3jr1 n GLU 248 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3jr1 n GLY 249 N 3.69 0.56 0.17 8.31 0.00 -1.26 -5.02 105.19 111.63 3jr1 n GLY 249 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 3jr1 n GLY 249 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3jr1 h TYR 250 N 0.00 0.09 -0.82 1.61 3.20 -1.87 -2.37 116.97 116.80 3jr1 h TYR 250 Ca 0.00 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.92 3jr1 h TYR 250 Cb 0.00 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 3jr1 h TYR 250 CO 0.00 -0.02 0.55 -0.07 -1.64 0.00 0.00 178.16 176.98 3jr1 h LEU 251 N 0.18 0.92 -0.22 2.82 3.38 -1.95 0.44 115.31 120.88 3jr1 h LEU 251 Ca 0.20 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 3jr1 h LEU 251 Cb 0.26 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3jr1 h LEU 251 CO -0.28 0.65 -0.23 -0.08 0.09 0.00 0.00 178.44 178.59 3jr1 h GLU 252 N 1.07 0.53 -0.19 1.13 4.81 -1.96 -3.15 114.58 116.83 3jr1 h GLU 252 Ca 0.31 -0.29 -0.09 0.00 -0.13 0.00 0.00 59.36 59.17 3jr1 h GLU 252 Cb -0.06 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3jr1 h GLU 252 CO -0.08 0.87 -0.27 0.00 -0.73 0.00 0.00 179.01 178.81 3jr1 h ARG 253 N 0.22 0.35 -0.99 1.92 3.08 -0.88 -2.94 114.38 115.14 3jr1 h ARG 253 Ca 0.03 -0.13 0.18 0.00 0.07 0.00 0.00 59.98 60.13 3jr1 h ARG 253 Cb 0.78 -0.02 -0.10 0.00 0.08 0.00 0.00 29.97 30.71 3jr1 h ARG 253 CO 0.06 0.60 0.62 -0.22 -1.07 0.00 0.00 179.97 179.95 3jr1 h LYS 254 N 0.31 0.75 -0.41 0.04 3.64 -0.09 -1.50 116.57 119.31 3jr1 h LYS 254 Ca 0.05 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 3jr1 h LYS 254 Cb 0.64 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 3jr1 h LYS 254 CO 0.05 0.50 -0.25 -0.07 -2.27 0.00 0.00 179.45 177.40 3jr1 h LEU 255 N 0.77 0.87 -0.36 5.20 3.38 -1.56 -0.49 115.31 123.13 3jr1 h LEU 255 Ca 0.55 -0.34 -0.19 0.00 0.09 0.00 0.00 57.88 58.00 3jr1 h LEU 255 Cb 0.85 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3jr1 h LEU 255 CO -0.34 1.08 -0.79 0.16 0.09 0.00 0.00 178.44 178.65 3jr1 h ILE 256 N 0.73 1.41 -0.55 1.22 3.07 -1.54 -2.48 117.51 119.37 3jr1 h ILE 256 Ca 0.09 -2.28 -0.09 0.00 1.55 0.00 0.00 64.86 64.14 3jr1 h ILE 256 Cb 0.80 2.23 -0.02 0.00 -0.27 0.00 0.00 36.82 39.56 3jr1 h ILE 256 CO 0.07 0.68 -0.00 1.88 -1.05 0.00 0.00 178.15 179.72 3jr1 h TYR 257 N 0.22 1.06 0.00 0.16 0.05 -1.16 -2.86 116.97 114.45 3jr1 h TYR 257 Ca -0.04 -0.18 -0.09 0.00 0.05 0.00 0.00 58.73 58.46 3jr1 h TYR 257 Cb 1.38 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 38.83 3jr1 h TYR 257 CO 0.04 0.96 -0.44 1.96 -1.05 0.00 0.00 178.16 179.64 3jr1 h GLN 258 N 0.85 0.00 -0.74 4.88 4.20 -1.12 -3.11 115.11 120.07 3jr1 h GLN 258 Ca 0.16 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.90 3jr1 h GLN 258 Cb 0.54 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.28 3jr1 h GLN 258 CO 0.03 0.44 0.49 1.25 -0.67 0.00 0.00 178.83 180.36 3jr1 h LEU 259 N 0.00 0.79 0.01 1.46 5.85 -1.20 -1.95 115.31 120.27 3jr1 h LEU 259 Ca -0.00 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.72 3jr1 h LEU 259 Cb 0.79 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 3jr1 h LEU 259 CO 0.06 0.55 -0.10 0.22 -0.34 0.00 0.00 178.44 178.82 3jr1 h TYR 260 N 0.92 -0.26 -0.57 1.25 3.20 -1.52 -0.20 116.97 119.78 3jr1 h TYR 260 Ca 0.29 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.11 3jr1 h TYR 260 Cb 0.03 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 3jr1 h TYR 260 CO -0.00 -0.16 0.10 1.88 -1.64 0.00 0.00 178.16 178.34 3jr1 h TYR 261 N -0.18 0.95 -0.43 -3.82 0.05 -1.57 -1.49 116.97 110.47 3jr1 h TYR 261 Ca 0.04 -0.11 -0.14 0.00 0.05 0.00 0.00 58.73 58.57 3jr1 h TYR 261 Cb 0.23 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.69 3jr1 h TYR 261 CO -0.16 0.81 -0.28 -0.07 -1.05 0.00 0.00 178.16 177.41 3jr1 h LEU 262 N 0.86 0.96 -0.25 3.88 3.38 -1.16 0.82 115.31 123.81 3jr1 h LEU 262 Ca 0.18 -0.39 0.02 0.00 0.09 0.00 0.00 57.88 57.78 3jr1 h LEU 262 Cb 0.37 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3jr1 h LEU 262 CO 0.01 1.17 0.11 -0.07 0.09 0.00 0.00 178.44 179.74 3jr1 h LEU 263 N 0.79 0.15 -0.60 1.67 3.38 -0.82 0.98 115.31 120.86 3jr1 h LEU 263 Ca 0.09 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.11 3jr1 h LEU 263 Cb 0.85 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 3jr1 h LEU 263 CO 0.07 0.12 0.37 -1.13 0.09 0.00 0.00 178.44 177.96 3jr1 h ASN 264 N 0.23 0.59 -0.38 -0.43 -0.73 -1.02 -1.61 115.58 112.24 3jr1 h ASN 264 Ca 0.10 0.00 -0.12 0.00 1.87 0.00 0.00 56.30 58.16 3jr1 h ASN 264 Cb 0.05 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.50 3jr1 h ASN 264 CO -0.09 0.41 -0.21 -0.26 -0.37 0.00 0.00 177.43 176.91 3jr1 h PHE 265 N 0.72 0.99 -0.97 0.67 -1.00 -0.64 -0.98 116.94 115.73 3jr1 h PHE 265 Ca 0.24 -0.23 0.00 0.00 2.81 0.00 0.00 57.97 60.80 3jr1 h PHE 265 Cb 0.03 -0.24 -0.05 0.00 3.61 0.00 0.00 35.95 39.31 3jr1 h PHE 265 CO -0.06 1.00 0.60 0.77 -1.61 0.00 0.00 178.31 179.01 3jr1 h SER 266 N 0.76 1.14 0.31 2.17 0.02 -0.21 -1.76 113.55 115.98 3jr1 h SER 266 Ca 0.10 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 3jr1 h SER 266 Cb 0.75 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.01 3jr1 h SER 266 CO 0.06 0.86 -0.15 0.22 -1.14 0.00 0.00 176.83 176.68 3jr1 h TYR 267 N 1.33 -0.39 -0.49 3.45 3.20 -1.14 -3.06 116.97 119.86 3jr1 h TYR 267 Ca 0.35 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.25 3jr1 h TYR 267 Cb -0.09 0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.26 3jr1 h TYR 267 CO 0.00 -0.05 0.24 0.00 -1.64 0.00 0.00 178.16 176.72 3jr1 h ARG 268 N -0.87 0.46 -0.55 1.82 3.08 -1.09 -3.14 114.38 114.09 3jr1 h ARG 268 Ca -0.04 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.84 3jr1 h ARG 268 Cb 0.52 -0.10 -0.08 0.00 0.08 0.00 0.00 29.97 30.39 3jr1 h ARG 268 CO 0.07 0.31 0.13 0.66 -1.07 0.00 0.00 179.97 180.07 3jr1 n TYR 269 N -4.90 1.85 0.12 3.04 4.01 -0.67 -4.65 117.16 115.96 3jr1 n TYR 269 Ca 0.04 -1.13 0.17 0.00 -0.16 0.00 0.00 57.90 56.83 3jr1 n TYR 269 Cb 0.13 -0.55 0.74 0.00 -0.31 0.00 0.00 39.34 39.35 3jr1 n TYR 269 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 3jr1 h TYR 270 N 2.35 0.00 -0.00 -0.72 -0.00 -1.48 -0.30 116.97 116.81 3jr1 h TYR 270 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.90 3jr1 h TYR 270 Cb 1.99 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.72 3jr1 h TYR 270 CO 1.03 0.00 -0.12 0.27 -0.00 0.00 0.00 178.16 179.34 3jr1 n ASN 271 N -4.14 0.39 -4.86 0.10 6.94 -1.26 -4.83 115.26 107.60 3jr1 n ASN 271 Ca 0.05 -0.42 -0.27 0.00 -0.02 0.00 0.00 54.58 53.92 3jr1 n ASN 271 Cb 0.44 -0.11 -0.05 0.00 -2.36 0.00 0.00 39.78 37.71 3jr1 n ASN 271 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3jr1 s LYS 272 N -2.57 3.14 -0.24 -3.83 1.02 -0.12 -5.08 119.74 112.06 3jr1 s LYS 272 Ca 0.26 -0.71 -0.27 0.00 0.02 0.00 0.00 55.97 55.27 3jr1 s LYS 272 Cb 0.20 -2.81 0.00 0.00 -0.52 0.00 0.00 37.83 34.71 3jr1 s LYS 272 CO 0.50 0.52 0.95 0.21 -0.92 0.00 0.00 175.35 176.60 3jr1 s LYS 273 N -3.02 4.22 0.36 1.68 2.47 -1.26 -4.99 119.74 119.20 3jr1 s LYS 273 Ca 0.32 1.17 -0.15 0.00 -1.56 0.00 0.00 55.97 55.76 3jr1 s LYS 273 Cb -0.11 -3.64 0.04 0.00 -1.46 0.00 0.00 37.83 32.66 3jr1 s LYS 273 CO 0.25 -0.58 0.73 1.14 0.16 0.00 0.00 175.35 177.06 3jr1 s GLN 274 N 3.04 2.11 -0.05 4.03 1.03 -1.26 -5.06 119.66 123.50 3jr1 s GLN 274 Ca 0.40 -1.41 0.17 0.00 0.04 0.00 0.00 55.36 54.56 3jr1 s GLN 274 Cb -0.15 0.60 0.54 0.00 0.03 0.00 0.00 33.01 34.02 3jr1 s GLN 274 CO 0.07 -0.97 1.45 0.45 -2.54 0.00 0.00 175.29 173.75 3jr1 n SER 275 N -1.24 3.82 0.06 12.60 2.88 -1.26 -4.70 113.62 125.79 3jr1 n SER 275 Ca -0.06 -2.25 -0.01 0.00 -1.33 0.00 0.00 58.87 55.22 3jr1 n SER 275 Cb 0.60 -0.43 0.28 0.00 -0.75 0.00 0.00 64.21 63.90 3jr1 n SER 275 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 3jr1 h TYR 276 N 3.15 0.40 -0.07 0.66 0.05 -1.95 -2.28 116.97 116.93 3jr1 h TYR 276 Ca 0.00 -0.07 -0.02 0.00 0.05 0.00 0.00 58.73 58.69 3jr1 h TYR 276 Cb 1.08 -0.10 -0.00 0.00 1.01 0.00 0.00 36.73 38.72 3jr1 h TYR 276 CO 0.48 0.56 -0.05 0.28 -1.05 0.00 0.00 178.16 178.38 3jr1 h VAL 277 N 0.33 1.35 -0.16 -2.88 2.07 -1.91 -1.19 116.25 113.86 3jr1 h VAL 277 Ca 0.06 -1.14 0.04 0.00 0.82 0.00 0.00 66.70 66.48 3jr1 h VAL 277 Cb 0.56 1.96 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 3jr1 h VAL 277 CO 0.04 0.31 -0.11 0.28 0.02 0.00 0.00 177.57 178.11 3jr1 h SER 278 N -0.25 -0.35 -0.81 0.57 0.02 -1.89 0.16 113.55 110.99 3jr1 h SER 278 Ca 0.01 0.08 0.07 0.00 -0.84 0.00 0.00 61.79 61.11 3jr1 h SER 278 Cb 0.53 0.18 -0.05 0.00 0.14 0.00 0.00 62.40 63.20 3jr1 h SER 278 CO 0.01 -0.15 0.53 -0.07 -1.14 0.00 0.00 176.83 176.02 3jr1 h LEU 279 N -0.11 0.75 -0.02 5.07 3.38 -1.41 0.38 115.31 123.35 3jr1 h LEU 279 Ca 0.10 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3jr1 h LEU 279 Cb 0.25 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3jr1 h LEU 279 CO -0.23 0.47 -0.01 0.74 0.09 0.00 0.00 178.44 179.51 3jr1 h THR 280 N 0.85 1.32 -0.34 0.22 2.02 -0.29 -1.92 112.91 114.77 3jr1 h THR 280 Ca 0.36 -0.95 -0.00 0.00 0.77 0.00 0.00 66.41 66.58 3jr1 h THR 280 Cb 0.29 1.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.61 3jr1 h THR 280 CO -0.13 0.25 0.20 -0.61 0.37 0.00 0.00 175.52 175.60 3jr1 h GLN 281 N -0.36 0.47 0.03 6.66 5.75 -0.28 0.13 115.11 127.52 3jr1 h GLN 281 Ca 0.00 -0.05 0.03 0.00 -0.15 0.00 0.00 58.65 58.48 3jr1 h GLN 281 Cb 0.41 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.83 3jr1 h GLN 281 CO 0.00 0.38 -0.24 0.87 -2.65 0.00 0.00 178.83 177.19 3jr1 h LYS 282 N 0.44 -0.38 -0.57 1.69 6.56 -0.95 0.17 116.57 123.53 3jr1 h LYS 282 Ca 0.12 0.03 0.04 0.00 -1.06 0.00 0.00 60.65 59.78 3jr1 h LYS 282 Cb 0.04 0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 31.75 3jr1 h LYS 282 CO -0.02 -0.25 0.38 1.25 -2.06 0.00 0.00 179.45 178.74 3jr1 h LEU 283 N -0.40 0.53 -0.11 2.94 5.85 -0.92 -1.10 115.31 122.12 3jr1 h LEU 283 Ca 0.05 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 3jr1 h LEU 283 Cb 0.46 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 3jr1 h LEU 283 CO -0.19 0.36 -0.12 0.40 -0.34 0.00 0.00 178.44 178.55 3jr1 h ILE 284 N 0.61 1.36 -1.00 4.05 1.08 -0.05 -2.79 117.51 120.77 3jr1 h ILE 284 Ca 0.24 -1.29 0.07 0.00 -0.39 0.00 0.00 64.86 63.48 3jr1 h ILE 284 Cb 0.17 1.98 -0.07 0.00 -3.07 0.00 0.00 36.82 35.83 3jr1 h ILE 284 CO -0.07 0.37 0.65 0.78 -0.69 0.00 0.00 178.15 179.19 3jr1 h ASN 285 N -0.14 1.04 0.63 1.72 2.35 -0.09 -1.76 115.58 119.32 3jr1 h ASN 285 Ca 0.02 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 3jr1 h ASN 285 Cb 0.64 -0.21 0.01 0.00 0.05 0.00 0.00 38.32 38.81 3jr1 h ASN 285 CO 0.03 0.66 -0.30 -0.61 -1.65 0.00 0.00 177.43 175.55 3jr1 h GLN 286 N 1.17 -0.82 -0.81 0.81 4.15 -1.16 0.47 115.11 118.91 3jr1 h GLN 286 Ca 0.44 0.06 0.19 0.00 0.77 0.00 0.00 58.65 60.10 3jr1 h GLN 286 Cb 0.18 0.19 -0.05 0.00 0.21 0.00 0.00 27.48 28.01 3jr1 h GLN 286 CO -0.18 -0.55 0.55 0.82 -1.93 0.00 0.00 178.83 177.55 3jr1 h ILE 287 N -0.85 0.69 0.00 2.39 2.04 -1.44 -3.33 117.51 117.01 3jr1 h ILE 287 Ca -0.09 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3jr1 h ILE 287 Cb 0.65 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3jr1 h ILE 287 CO 0.14 0.05 0.00 -0.11 0.00 0.00 0.00 178.15 178.23 3jr1 n LEU 288 N -4.44 0.25 -0.08 1.44 0.00 -0.67 -5.08 117.00 108.42 3jr1 n LEU 288 Ca 0.17 0.02 0.16 0.00 0.00 0.00 0.00 56.01 56.35 3jr1 n LEU 288 Cb 0.69 -0.16 0.88 0.00 0.00 0.00 0.00 43.42 44.83 3jr1 n LEU 288 CO 0.34 -0.16 1.07 1.41 0.00 0.00 0.00 177.39 180.04