#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 -0.68 -1.48 1.20 5.85 -2.07 -1.49 115.31 116.65 3jr1 h LEU -4 Ca 0.00 0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 3jr1 h LEU -4 Cb 0.00 0.40 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3jr1 h LEU -4 CO 0.00 -0.22 -0.23 1.88 -0.34 0.00 0.00 178.44 179.53 3jr1 h TYR -3 N -0.06 0.05 -0.53 1.25 -1.99 -2.02 -2.56 116.97 111.11 3jr1 h TYR -3 Ca 0.25 -0.01 -0.11 0.00 2.00 0.00 0.00 58.73 60.87 3jr1 h TYR -3 Cb 0.45 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 39.15 3jr1 h TYR -3 CO -0.50 0.28 -0.09 0.35 -0.00 0.00 0.00 178.16 178.20 3jr1 h PHE -2 N 0.05 1.11 -0.84 4.88 3.57 -1.72 -2.64 116.94 121.34 3jr1 h PHE -2 Ca 0.01 -0.23 -0.02 0.00 3.53 0.00 0.00 57.97 61.26 3jr1 h PHE -2 Cb 0.43 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.86 3jr1 h PHE -2 CO 0.00 1.03 0.44 1.96 -2.23 0.00 0.00 178.31 179.52 3jr1 h GLN -1 N 0.86 1.18 -1.62 1.11 7.50 -1.06 -2.31 115.11 120.78 3jr1 h GLN -1 Ca 0.14 -0.15 0.00 0.00 0.50 0.00 0.00 58.65 59.14 3jr1 h GLN -1 Cb 0.65 -0.23 0.00 0.00 0.05 0.00 0.00 27.48 27.95 3jr1 h GLN -1 CO 0.04 0.88 0.00 0.41 -1.50 0.00 0.00 178.83 178.66 3jr1 n GLY 0 N -1.08 0.29 0.00 3.46 0.00 -1.00 -2.18 105.19 104.68 3jr1 n GLY 0 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.86 0.00 -0.12 1.61 7.02 -0.87 -1.49 117.44 124.45 3jr1 n TRP 2 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.40 3jr1 n TRP 2 Cb 0.07 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 28.96 3jr1 n TRP 2 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 3jr1 h LYS 3 N 0.00 0.51 -0.76 -0.99 1.57 -1.73 0.53 116.57 115.70 3jr1 h LYS 3 Ca 0.00 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3jr1 h LYS 3 Cb 0.00 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 3jr1 h LYS 3 CO 0.00 0.36 0.34 0.77 -0.57 0.00 0.00 179.45 180.35 3jr1 h SER 4 N 0.51 1.00 -0.29 0.86 0.02 -1.55 -1.24 113.55 112.86 3jr1 h SER 4 Ca 0.14 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 3jr1 h SER 4 Cb -0.04 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.23 3jr1 h SER 4 CO -0.03 0.86 0.07 0.40 -1.14 0.00 0.00 176.83 177.00 3jr1 h ILE 5 N 1.09 1.21 -0.73 3.27 2.04 -1.72 -0.77 117.51 121.91 3jr1 h ILE 5 Ca 0.26 -0.71 0.07 0.00 1.00 0.00 0.00 64.86 65.48 3jr1 h ILE 5 Cb 0.15 1.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.29 3jr1 h ILE 5 CO -0.03 0.23 0.41 0.28 0.00 0.00 0.00 178.15 179.05 3jr1 h SER 6 N 0.31 0.61 -0.48 1.72 0.02 -0.54 0.04 113.55 115.22 3jr1 h SER 6 Ca 0.09 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3jr1 h SER 6 Cb 0.28 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 3jr1 h SER 6 CO 0.00 0.38 0.26 -0.61 -1.14 0.00 0.00 176.83 175.72 3jr1 h GLN 7 N 0.74 0.68 -0.56 3.45 4.15 -0.96 0.27 115.11 122.88 3jr1 h GLN 7 Ca 0.33 -0.08 -0.10 0.00 0.77 0.00 0.00 58.65 59.57 3jr1 h GLN 7 Cb 0.23 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 3jr1 h GLN 7 CO -0.20 0.53 -0.05 0.28 -1.93 0.00 0.00 178.83 177.47 3jr1 h VAL 8 N 0.64 1.26 -0.08 2.39 2.07 -0.68 -2.53 116.25 119.33 3jr1 h VAL 8 Ca 0.17 -1.18 -0.10 0.00 0.82 0.00 0.00 66.70 66.41 3jr1 h VAL 8 Cb 0.06 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3jr1 h VAL 8 CO -0.03 0.42 -0.39 -0.07 0.02 0.00 0.00 177.57 177.52 3jr1 h LEU 9 N 0.91 0.17 -0.30 2.57 3.38 -0.68 -2.34 115.31 119.01 3jr1 h LEU 9 Ca 0.15 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3jr1 h LEU 9 Cb 0.59 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3jr1 h LEU 9 CO 0.04 0.55 0.06 0.00 0.09 0.00 0.00 178.44 179.18 3jr1 h ALA 10 N 1.46 0.40 -0.57 1.53 0.00 -0.20 -0.51 119.26 121.37 3jr1 h ALA 10 Ca 0.01 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.75 3jr1 h ALA 10 Cb 0.76 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3jr1 h ALA 10 CO 0.06 0.07 0.38 1.49 0.00 0.00 0.00 179.25 181.24 3jr1 h GLU 11 N 0.32 0.75 0.39 0.00 4.57 -1.33 0.15 114.58 119.43 3jr1 h GLU 11 Ca 0.09 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 3jr1 h GLU 11 Cb 0.31 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 3jr1 h GLU 11 CO 0.00 0.50 -0.19 0.37 -1.18 0.00 0.00 179.01 178.51 3jr1 h GLN 12 N 0.77 -0.50 0.00 1.92 5.75 -1.19 -3.29 115.11 118.57 3jr1 h GLN 12 Ca 0.21 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.75 3jr1 h GLN 12 Cb -0.09 0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.58 3jr1 h GLN 12 CO -0.05 -0.26 -0.54 0.74 -2.65 0.00 0.00 178.83 176.07 3jr1 h PHE 13 N -0.66 0.00 0.00 3.99 0.04 -1.08 -3.48 116.94 115.75 3jr1 h PHE 13 Ca -0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.72 3jr1 h PHE 13 Cb 0.48 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.63 3jr1 h PHE 13 CO -0.02 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.10 3jr1 n GLY 14 N 1.23 3.08 3.77 -1.45 0.00 0.51 -5.02 105.19 107.32 3jr1 n GLY 14 Ca 0.03 -0.78 -0.28 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.18 3.51 0.48 4.61 0.00 -1.24 -4.88 121.76 123.05 3jr1 s ALA 15 Ca 0.00 -1.16 -0.24 0.00 0.00 0.00 0.00 51.96 50.56 3jr1 s ALA 15 Cb 0.00 -1.33 -0.07 0.00 0.00 0.00 0.00 23.12 21.72 3jr1 s ALA 15 CO 0.00 0.59 1.37 -0.47 0.00 0.00 0.00 175.76 177.25 3jr1 s TYR 16 N -1.61 2.45 -0.63 0.00 5.04 -1.26 -4.27 117.35 117.08 3jr1 s TYR 16 Ca 0.30 1.34 -0.16 0.00 -2.44 0.00 0.00 57.07 56.11 3jr1 s TYR 16 Cb -0.11 -3.81 0.15 0.00 0.35 0.00 0.00 41.96 38.54 3jr1 s TYR 16 CO 0.22 -2.74 0.61 -0.47 -1.34 0.00 0.00 175.55 171.82 3jr1 s TYR 17 N -1.27 3.34 -0.52 4.97 5.04 -1.26 -4.94 117.35 122.71 3jr1 s TYR 17 Ca 0.65 -1.42 -0.26 0.00 -2.44 0.00 0.00 57.07 53.60 3jr1 s TYR 17 Cb -0.41 -3.84 0.03 0.00 0.35 0.00 0.00 41.96 38.09 3jr1 s TYR 17 CO 0.51 -1.06 1.02 -0.06 -1.34 0.00 0.00 175.55 174.62 3jr1 s PHE 18 N 1.42 2.79 -0.06 4.97 0.08 -1.26 -4.71 117.98 121.21 3jr1 s PHE 18 Ca 0.08 0.28 -0.30 0.00 0.12 0.00 0.00 56.93 57.12 3jr1 s PHE 18 Cb -0.24 -4.19 -0.06 0.00 -0.57 0.00 0.00 43.02 37.96 3jr1 s PHE 18 CO 0.00 -1.33 1.74 0.42 -0.10 0.00 0.00 175.22 175.96 3jr1 s ILE 19 N 4.19 3.45 -0.15 0.64 1.01 -1.26 -4.29 121.20 124.80 3jr1 s ILE 19 Ca 0.37 0.54 0.09 0.00 0.00 0.00 0.00 60.65 61.66 3jr1 s ILE 19 Cb -0.10 -3.37 -0.16 0.00 0.01 0.00 0.00 42.46 38.85 3jr1 s ILE 19 CO 0.24 -0.07 -0.00 0.29 0.00 0.00 0.00 174.94 175.40 3jr1 n LYS 20 N 7.35 1.43 -3.98 2.79 4.76 0.79 -4.97 118.16 126.33 3jr1 n LYS 20 Ca 0.19 0.02 -0.12 0.00 -2.87 0.00 0.00 58.31 55.53 3jr1 n LYS 20 Cb 0.43 -1.35 -0.13 0.00 -1.84 0.00 0.00 35.03 32.14 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 -2.34 0.24 -0.04 2.13 2.46 -0.76 -5.01 115.29 111.98 3jr1 s HIS 21 Ca -0.11 -0.24 -0.02 0.00 0.47 0.00 0.00 55.06 55.16 3jr1 s HIS 21 Cb 0.05 -0.16 0.02 0.00 -0.13 0.00 0.00 32.58 32.36 3jr1 s HIS 21 CO 0.52 -0.07 0.08 -1.59 -2.47 0.00 0.00 174.74 171.21 3jr1 s LYS 22 N -0.66 0.05 -0.06 2.88 -2.85 -1.26 -1.24 119.74 116.60 3jr1 s LYS 22 Ca -0.06 0.22 -0.00 0.00 -1.00 0.00 0.00 55.97 55.13 3jr1 s LYS 22 Cb -0.05 -0.12 0.02 0.00 -2.06 0.00 0.00 37.83 35.63 3jr1 s LYS 22 CO -0.00 -0.11 -0.02 -2.00 0.10 0.00 0.00 175.35 173.31 3jr1 s GLU 23 N 0.73 0.73 -0.29 1.78 2.12 0.92 -5.00 118.70 119.69 3jr1 s GLU 23 Ca -0.06 -0.00 -0.24 0.00 0.36 0.00 0.00 54.97 55.03 3jr1 s GLU 23 Cb -0.08 -0.92 -0.00 0.00 0.26 0.00 0.00 34.13 33.39 3jr1 s GLU 23 CO -0.03 -0.20 0.79 0.21 -0.54 0.00 0.00 175.26 175.50 3jr1 s LYS 24 N 1.44 4.02 0.40 4.30 2.20 -1.26 -0.11 119.74 130.73 3jr1 s LYS 24 Ca -0.03 0.66 -0.06 0.00 -0.36 0.00 0.00 55.97 56.18 3jr1 s LYS 24 Cb -0.13 -3.71 -0.05 0.00 -1.51 0.00 0.00 37.83 32.43 3jr1 s LYS 24 CO -0.03 -0.63 0.69 -0.51 -0.36 0.00 0.00 175.35 174.51 3jr1 s LEU 25 N 2.92 3.84 0.45 5.43 1.43 0.42 -4.98 118.68 128.18 3jr1 s LEU 25 Ca 0.33 0.87 -0.23 0.00 -1.03 0.00 0.00 54.13 54.06 3jr1 s LEU 25 Cb -0.14 -3.76 -0.08 0.00 0.03 0.00 0.00 46.19 42.24 3jr1 s LEU 25 CO 0.11 -0.40 1.13 -0.47 0.23 0.00 0.00 176.35 176.95 3jr1 s TYR 26 N -2.43 2.97 -0.16 0.29 5.04 -1.26 -4.32 117.35 117.48 3jr1 s TYR 26 Ca 0.47 1.56 -0.11 0.00 -2.44 0.00 0.00 57.07 56.55 3jr1 s TYR 26 Cb -0.10 -3.30 0.05 0.00 0.35 0.00 0.00 41.96 38.96 3jr1 s TYR 26 CO 0.37 -1.26 0.40 -1.54 -1.34 0.00 0.00 175.55 172.18 3jr1 s SER 27 N -1.45 -0.48 0.15 4.32 1.04 -1.26 -4.91 113.70 111.11 3jr1 s SER 27 Ca 0.63 0.85 0.12 0.00 0.48 0.00 0.00 55.95 58.03 3jr1 s SER 27 Cb -0.26 0.78 -0.10 0.00 0.10 0.00 0.00 66.02 66.54 3jr1 s SER 27 CO 0.32 -0.17 1.20 1.23 0.98 0.00 0.00 173.24 176.80 3jr1 h GLY 28 N 6.57 0.00 0.00 7.32 0.00 -2.05 -3.50 103.07 111.41 3jr1 h GLY 28 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 3jr1 h GLY 28 CO 0.28 0.00 0.00 1.18 0.00 0.00 0.00 176.54 178.00 3jr1 n GLU 29 N -3.20 0.00 -0.14 4.80 -0.58 -1.26 -5.16 120.64 115.11 3jr1 n GLU 29 Ca -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 3jr1 n GLU 29 Cb 0.86 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.73 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 -4.82 1.62 3.02 -1.26 -5.07 115.26 108.75 3jr1 n ASN 31 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.19 3jr1 n ASN 31 Cb 0.00 -0.20 -0.06 0.00 -0.61 0.00 0.00 39.78 38.91 3jr1 n ASN 31 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3jr1 s GLU 32 N -0.48 4.19 -0.07 3.52 2.02 -0.64 -4.83 118.70 122.40 3jr1 s GLU 32 Ca 0.00 0.78 0.04 0.00 0.02 0.00 0.00 54.97 55.81 3jr1 s GLU 32 Cb 0.00 -2.88 0.00 0.00 0.10 0.00 0.00 34.13 31.35 3jr1 s GLU 32 CO 0.00 0.41 -0.19 0.42 0.02 0.00 0.00 175.26 175.92 3jr1 s ILE 33 N -1.52 1.61 0.07 -1.63 1.01 -1.26 -1.21 121.20 118.27 3jr1 s ILE 33 Ca 0.42 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 60.32 3jr1 s ILE 33 Cb -0.16 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.87 3jr1 s ILE 33 CO 0.20 0.46 -0.08 0.26 0.00 0.00 0.00 174.94 175.78 3jr1 s TRP 34 N 0.30 0.84 -0.07 3.97 0.52 -0.39 -0.44 118.94 123.67 3jr1 s TRP 34 Ca -0.12 -0.63 0.03 0.00 0.02 0.00 0.00 56.10 55.40 3jr1 s TRP 34 Cb -0.15 -0.49 -0.02 0.00 -1.15 0.00 0.00 33.47 31.66 3jr1 s TRP 34 CO 0.05 -0.07 -0.18 -0.51 0.02 0.00 0.00 176.95 176.26 3jr1 s LEU 35 N -2.14 2.49 0.03 2.99 1.43 0.85 -0.98 118.68 123.35 3jr1 s LEU 35 Ca -0.01 -0.34 -0.00 0.00 -1.03 0.00 0.00 54.13 52.75 3jr1 s LEU 35 Cb -0.05 -1.51 -0.03 0.00 0.03 0.00 0.00 46.19 44.64 3jr1 s LEU 35 CO -0.01 0.26 -0.03 0.27 0.23 0.00 0.00 176.35 177.07 3jr1 s ILE 36 N -0.23 0.18 0.18 -0.59 -4.36 -0.48 -0.06 121.20 115.83 3jr1 s ILE 36 Ca 0.00 -1.22 -0.12 0.00 -0.26 0.00 0.00 60.65 59.05 3jr1 s ILE 36 Cb -0.13 -0.70 0.01 0.00 1.25 0.00 0.00 42.46 42.88 3jr1 s ILE 36 CO 0.03 -0.66 0.38 0.54 0.24 0.00 0.00 174.94 175.47 3jr1 s ASN 37 N -1.95 -0.07 -0.19 4.36 2.20 -0.37 -0.15 114.94 118.77 3jr1 s ASN 37 Ca -0.08 -0.72 0.16 0.00 -0.94 0.00 0.00 52.86 51.28 3jr1 s ASN 37 Cb -0.04 0.49 0.47 0.00 -2.00 0.00 0.00 41.25 40.17 3jr1 s ASN 37 CO -0.04 -0.95 1.36 -0.90 -2.94 0.00 0.00 177.10 173.63 3jr1 n ASP 38 N -0.26 3.26 0.00 3.54 5.75 -1.21 -0.15 116.55 127.48 3jr1 n ASP 38 Ca -0.08 -3.17 0.00 0.00 -0.01 0.00 0.00 54.79 51.52 3jr1 n ASP 38 Cb 0.63 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 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 -0.84 0.00 0.06 0.11 1.02 -1.26 -4.77 120.64 114.96 3jr1 n GLU 39 Ca 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 3jr1 n GLU 39 Cb 0.85 -2.13 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 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 -2.08 0.04 -3.80 2.62 0.31 -1.26 -5.09 118.33 109.08 3jr1 n VAL 40 Ca 0.00 0.01 -0.36 0.00 -0.01 0.00 0.00 64.34 63.98 3jr1 n VAL 40 Cb 0.00 -0.58 -0.12 0.00 -0.91 0.00 0.00 33.84 32.23 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 -2.00 3.69 0.06 5.55 2.00 -1.26 -5.10 119.66 122.61 3jr1 s GLN 41 Ca 0.00 -0.46 -0.13 0.00 -2.00 0.00 0.00 55.36 52.77 3jr1 s GLN 41 Cb 0.00 -3.31 -0.06 0.00 0.80 0.00 0.00 33.01 30.44 3jr1 s GLN 41 CO 0.00 -0.13 0.44 0.99 -0.50 0.00 0.00 175.29 176.09 3jr1 s THR 42 N 1.46 5.00 -0.01 -0.34 2.01 -1.26 -3.28 115.64 119.22 3jr1 s THR 42 Ca 0.06 0.72 0.04 0.00 0.31 0.00 0.00 61.69 62.82 3jr1 s THR 42 Cb -0.15 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.65 3jr1 s THR 42 CO 0.04 0.40 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.55 3jr1 s VAL 43 N -1.28 1.04 -0.23 3.82 1.01 0.79 -4.03 120.40 121.53 3jr1 s VAL 43 Ca 0.30 -0.55 -0.13 0.00 0.00 0.00 0.00 61.98 61.60 3jr1 s VAL 43 Cb -0.16 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 3jr1 s VAL 43 CO 0.17 0.30 0.26 0.12 0.00 0.00 0.00 175.10 175.94 3jr1 s PHE 44 N -0.22 3.33 -0.16 5.22 5.36 0.04 -1.39 117.98 130.17 3jr1 s PHE 44 Ca 0.03 0.37 0.01 0.00 -0.96 0.00 0.00 56.93 56.38 3jr1 s PHE 44 Cb -0.06 -2.39 0.02 0.00 -0.34 0.00 0.00 43.02 40.25 3jr1 s PHE 44 CO -0.00 0.01 -0.17 0.08 -1.46 0.00 0.00 175.22 173.67 3jr1 s VAL 45 N 1.26 1.81 -0.17 3.12 1.01 -0.16 -0.25 120.40 127.02 3jr1 s VAL 45 Ca 0.12 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.23 3jr1 s VAL 45 Cb -0.14 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 3jr1 s VAL 45 CO 0.06 0.50 0.11 -0.54 0.00 0.00 0.00 175.10 175.23 3jr1 s LYS 46 N 1.28 3.86 0.06 2.72 1.02 -0.43 -1.26 119.74 126.99 3jr1 s LYS 46 Ca 0.02 -0.24 0.06 0.00 0.02 0.00 0.00 55.97 55.83 3jr1 s LYS 46 Cb -0.13 -3.26 -0.03 0.00 -0.52 0.00 0.00 37.83 33.89 3jr1 s LYS 46 CO -0.10 0.45 -0.16 0.42 -0.92 0.00 0.00 175.35 175.04 3jr1 s ILE 47 N -0.09 1.29 0.03 2.17 1.01 -0.35 -0.80 121.20 124.46 3jr1 s ILE 47 Ca 0.09 -1.23 -0.01 0.00 0.00 0.00 0.00 60.65 59.50 3jr1 s ILE 47 Cb -0.12 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 41.18 3jr1 s ILE 47 CO 0.00 -0.06 0.06 -3.20 0.00 0.00 0.00 174.94 171.74 3jr1 n ASN 48 N 1.53 -0.16 -4.62 3.58 2.85 -0.91 -1.62 115.26 115.91 3jr1 n ASN 48 Ca -0.19 -1.11 -0.29 0.00 -0.11 0.00 0.00 54.58 52.87 3jr1 n ASN 48 Cb 0.54 0.27 0.19 0.00 1.24 0.00 0.00 39.78 42.02 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 -2.01 0.28 0.26 1.20 8.01 -1.26 -1.70 118.70 123.47 3jr1 s GLU 49 Ca 0.01 0.96 -0.05 0.00 0.01 0.00 0.00 54.97 55.91 3jr1 s GLU 49 Cb -0.00 -1.68 0.31 0.00 -4.31 0.00 0.00 34.13 28.44 3jr1 s GLU 49 CO 0.01 -2.95 1.91 -0.09 0.01 0.00 0.00 175.26 174.15 3jr1 h ARG 50 N -2.07 1.27 0.00 1.61 2.43 -1.73 -2.54 114.38 113.35 3jr1 h ARG 50 Ca -0.53 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 58.56 3jr1 h ARG 50 Cb 1.30 -0.29 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 3jr1 h ARG 50 CO 0.50 0.84 0.00 -1.13 -1.51 0.00 0.00 179.97 178.67 3jr1 n SER 51 N -4.42 0.27 -0.34 -3.80 3.41 -1.26 -2.48 113.62 104.99 3jr1 n SER 51 Ca 0.13 0.60 0.01 0.00 -0.26 0.00 0.00 58.87 59.36 3jr1 n SER 51 Cb 0.07 -0.65 0.05 0.00 -0.26 0.00 0.00 64.21 63.42 3jr1 n SER 51 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3jr1 n TYR 52 N -1.84 0.19 -0.24 7.33 4.01 -0.97 -4.12 117.16 121.52 3jr1 n TYR 52 Ca 0.01 -0.08 -0.05 0.00 -0.16 0.00 0.00 57.90 57.61 3jr1 n TYR 52 Cb 0.08 -0.05 0.10 0.00 -0.31 0.00 0.00 39.34 39.16 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 0.59 1.08 -1.16 -0.72 2.43 -1.71 -2.02 114.38 112.88 3jr1 h ARG 53 Ca 0.00 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 3jr1 h ARG 53 Cb 0.31 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3jr1 h ARG 53 CO 0.02 0.92 0.00 0.45 -1.51 0.00 0.00 179.97 179.85 3jr1 n SER 54 N -4.26 0.13 0.00 -3.80 2.88 -1.26 -0.37 113.62 106.94 3jr1 n SER 54 Ca 0.06 -0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 3jr1 n SER 54 Cb 0.22 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 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 0.76 0.00 0.08 0.66 3.72 -0.76 -0.88 117.46 121.05 3jr1 n PHE 56 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 3jr1 n PHE 56 Cb 0.02 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.49 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 -0.13 -0.70 -1.08 2.43 -0.97 -1.68 114.38 112.24 3jr1 h ARG 57 Ca 0.00 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.26 3jr1 h ARG 57 Cb 0.00 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.51 3jr1 h ARG 57 CO 0.00 -0.09 0.36 0.00 -1.51 0.00 0.00 179.97 178.74 3jr1 h ALA 58 N 0.78 0.96 -0.78 2.80 0.00 -1.26 -0.99 119.26 120.78 3jr1 h ALA 58 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3jr1 h ALA 58 Cb 0.12 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3jr1 h ALA 58 CO -0.00 -0.01 0.49 1.49 0.00 0.00 0.00 179.25 181.21 3jr1 h GLU 59 N 0.63 1.05 -0.55 0.00 4.81 -1.77 -1.23 114.58 117.53 3jr1 h GLU 59 Ca 0.34 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.40 3jr1 h GLU 59 Cb 0.32 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3jr1 h GLU 59 CO -0.24 0.72 0.02 0.00 -0.73 0.00 0.00 179.01 178.78 3jr1 h ALA 60 N 1.26 0.73 -0.29 2.92 0.00 -0.57 -1.93 119.26 121.39 3jr1 h ALA 60 Ca 0.28 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3jr1 h ALA 60 Cb -0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3jr1 h ALA 60 CO -0.06 0.54 -0.06 -0.44 0.00 0.00 0.00 179.25 179.23 3jr1 h ASP 61 N 0.83 0.44 -0.01 0.00 3.32 -0.80 -1.01 116.42 119.18 3jr1 h ASP 61 Ca 0.16 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 3jr1 h ASP 61 Cb 0.51 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 3jr1 h ASP 61 CO 0.02 0.55 -0.00 1.56 -1.72 0.00 0.00 179.24 179.65 3jr1 h GLN 62 N 0.44 0.03 -0.93 3.56 4.20 -0.94 -0.90 115.11 120.57 3jr1 h GLN 62 Ca 0.09 -0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.87 3jr1 h GLN 62 Cb 0.39 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.10 3jr1 h GLN 62 CO 0.02 0.38 0.58 -0.07 -0.67 0.00 0.00 178.83 179.07 3jr1 h LEU 63 N -0.33 0.90 0.22 1.46 3.38 -1.18 0.51 115.31 120.28 3jr1 h LEU 63 Ca 0.00 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3jr1 h LEU 63 Cb 0.37 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3jr1 h LEU 63 CO 0.00 0.55 -0.11 0.00 0.09 0.00 0.00 178.44 178.97 3jr1 h ALA 64 N 1.46 -0.30 -0.54 1.53 0.00 -1.07 0.31 119.26 120.65 3jr1 h ALA 64 Ca 0.42 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 3jr1 h ALA 64 Cb 0.26 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3jr1 h ALA 64 CO -0.20 -0.60 0.11 1.37 0.00 0.00 0.00 179.25 179.93 3jr1 h LEU 65 N -0.45 0.78 -0.12 0.00 8.10 -0.76 -0.51 115.31 122.36 3jr1 h LEU 65 Ca -0.03 -0.15 -0.01 0.00 0.11 0.00 0.00 57.88 57.80 3jr1 h LEU 65 Cb 0.34 -0.21 -0.00 0.00 -0.44 0.00 0.00 40.66 40.35 3jr1 h LEU 65 CO 0.05 0.79 0.02 -0.07 -4.11 0.00 0.00 178.44 175.12 3jr1 h LEU 66 N 0.80 0.19 -0.67 0.17 3.38 -0.84 -2.95 115.31 115.39 3jr1 h LEU 66 Ca 0.17 -0.25 0.07 0.00 0.09 0.00 0.00 57.88 57.96 3jr1 h LEU 66 Cb 0.33 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 3jr1 h LEU 66 CO 0.00 0.39 0.36 0.00 0.09 0.00 0.00 178.44 179.29 3jr1 h ALA 67 N 0.81 0.91 0.00 1.53 0.00 -0.60 -2.09 119.26 119.81 3jr1 h ALA 67 Ca 0.04 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3jr1 h ALA 67 Cb 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3jr1 h ALA 67 CO 0.00 0.02 0.00 0.87 0.00 0.00 0.00 179.25 180.15 3jr1 h LYS 68 N 0.66 0.00 0.00 0.00 6.56 -0.93 -2.64 116.57 120.22 3jr1 h LYS 68 Ca 0.31 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.90 3jr1 h LYS 68 Cb 0.22 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.88 3jr1 h LYS 68 CO -0.20 0.00 0.00 0.25 -2.06 0.00 0.00 179.45 177.44 3jr1 n THR 69 N -2.95 0.64 -3.75 -0.16 -2.24 -0.79 -4.91 114.28 100.12 3jr1 n THR 69 Ca -0.02 0.13 -0.25 0.00 -2.27 0.00 0.00 64.05 61.64 3jr1 n THR 69 Cb 0.09 -0.83 0.04 0.00 -2.10 0.00 0.00 70.33 67.53 3jr1 n THR 69 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3jr1 n ASN 70 N -1.63 -3.69 0.00 3.42 3.02 -1.00 -4.91 115.26 110.47 3jr1 n ASN 70 Ca 0.05 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.86 3jr1 n ASN 70 Cb 0.25 -4.24 0.00 0.00 -0.61 0.00 0.00 39.78 35.18 3jr1 n ASN 70 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3jr1 n SER 71 N -2.96 0.00 -4.81 6.41 3.41 -1.26 -5.08 113.62 109.33 3jr1 n SER 71 Ca -0.10 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.18 3jr1 n SER 71 Cb 0.59 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.54 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 0.14 3.99 -0.23 -1.33 -4.36 -1.26 -4.90 121.20 113.24 3jr1 s ILE 72 Ca 0.00 0.98 -0.25 0.00 -0.26 0.00 0.00 60.65 61.12 3jr1 s ILE 72 Cb 0.00 -3.47 -0.00 0.00 1.25 0.00 0.00 42.46 40.23 3jr1 s ILE 72 CO 0.00 -0.52 0.84 0.20 0.24 0.00 0.00 174.94 175.71 3jr1 s ASN 73 N -2.76 6.86 0.17 4.36 0.02 -1.26 -4.76 114.94 117.58 3jr1 s ASN 73 Ca 0.63 1.08 0.08 0.00 -1.02 0.00 0.00 52.86 53.63 3jr1 s ASN 73 Cb -0.14 -2.45 -0.04 0.00 0.02 0.00 0.00 41.25 38.64 3jr1 s ASN 73 CO 0.33 -0.51 -0.18 0.68 0.02 0.00 0.00 177.10 177.44 3jr1 s VAL 74 N 2.79 1.81 0.39 1.60 -7.23 -1.26 -1.57 120.40 116.94 3jr1 s VAL 74 Ca 0.36 -1.96 -0.25 0.00 -1.81 0.00 0.00 61.98 58.31 3jr1 s VAL 74 Cb -0.15 -1.87 -0.09 0.00 0.56 0.00 0.00 36.38 34.83 3jr1 s VAL 74 CO 0.08 -0.36 1.17 -2.16 -0.31 0.00 0.00 175.10 173.52 3jr1 s PRO 75 N -2.92 4.09 0.61 4.82 0.04 -1.26 -4.99 135.00 135.39 3jr1 s PRO 75 Ca 0.17 1.84 -0.17 0.00 0.04 0.00 0.00 61.00 62.88 3jr1 s PRO 75 Cb -0.05 -2.71 -0.03 0.00 0.04 0.00 0.00 34.50 31.76 3jr1 s PRO 75 CO 0.07 -0.28 1.13 -0.51 0.04 0.00 0.00 177.00 177.44 3jr1 s LEU 76 N -2.43 3.56 -0.19 -3.56 1.43 -1.26 -4.86 118.68 111.38 3jr1 s LEU 76 Ca 0.56 2.13 -0.08 0.00 -1.03 0.00 0.00 54.13 55.71 3jr1 s LEU 76 Cb -0.31 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.30 3jr1 s LEU 76 CO 0.39 -1.48 0.07 -0.69 0.23 0.00 0.00 176.35 174.87 3jr1 s VAL 77 N -2.01 4.84 -0.13 -1.59 1.01 -1.26 -1.26 120.40 120.00 3jr1 s VAL 77 Ca 0.71 -0.01 0.18 0.00 0.00 0.00 0.00 61.98 62.85 3jr1 s VAL 77 Cb -0.23 -3.19 -0.20 0.00 0.00 0.00 0.00 36.38 32.76 3jr1 s VAL 77 CO 0.35 0.45 0.58 -1.22 0.00 0.00 0.00 175.10 175.26 3jr1 n TYR 78 N 3.66 0.57 -0.77 5.22 4.01 0.70 -4.95 117.16 125.60 3jr1 n TYR 78 Ca -0.16 0.19 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 3jr1 n TYR 78 Cb 0.52 -0.96 0.00 0.00 -0.31 0.00 0.00 39.34 38.59 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 1.45 -1.61 3.41 2.72 0.00 -1.12 -4.80 105.19 105.24 3jr1 n GLY 79 Ca -0.14 -1.47 -0.20 0.00 0.00 0.00 0.00 46.02 44.21 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 0.89 -1.57 -0.61 -4.36 -1.26 -1.22 121.20 111.07 3jr1 s ILE 80 Ca 0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 3jr1 s ILE 80 Cb 0.00 -2.69 0.00 0.00 1.25 0.00 0.00 42.46 41.02 3jr1 s ILE 80 CO 0.00 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.79 3jr1 n GLY 81 N -0.63 -1.50 3.66 6.27 0.00 -1.15 -4.98 105.19 106.87 3jr1 n GLY 81 Ca -0.02 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.80 0.13 0.00 1.61 4.22 -1.26 -1.74 114.94 116.10 3jr1 s ASN 82 Ca 0.00 -1.05 0.00 0.00 -2.14 0.00 0.00 52.86 49.67 3jr1 s ASN 82 Cb 0.00 0.69 -0.00 0.00 1.28 0.00 0.00 41.25 43.22 3jr1 s ASN 82 CO 0.00 -1.34 0.00 -1.54 -2.04 0.00 0.00 177.10 172.18 3jr1 n SER 83 N -0.87 0.09 0.15 3.54 3.41 0.11 -4.86 113.62 115.18 3jr1 n SER 83 Ca -0.03 -1.03 -0.14 0.00 -0.26 0.00 0.00 58.87 57.41 3jr1 n SER 83 Cb 0.61 0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 64.51 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 -0.64 -0.39 4.33 5.75 -1.90 -3.28 115.11 118.98 3jr1 h GLN 84 Ca -0.00 0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 3jr1 h GLN 84 Cb 0.02 0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.71 3jr1 h GLN 84 CO 0.00 -0.42 0.00 0.41 -2.65 0.00 0.00 178.83 176.17 3jr1 n GLY 85 N -1.46 2.05 3.20 2.39 0.00 -1.26 -4.78 105.19 105.33 3jr1 n GLY 85 Ca -0.08 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.09 0.26 0.22 1.61 3.76 -1.24 -3.09 115.29 115.72 3jr1 s HIS 86 Ca 0.30 -0.70 0.05 0.00 -0.15 0.00 0.00 55.06 54.57 3jr1 s HIS 86 Cb 0.17 -0.12 -0.05 0.00 1.11 0.00 0.00 32.58 33.69 3jr1 s HIS 86 CO 0.23 -0.54 -0.05 -1.54 -0.85 0.00 0.00 174.74 171.98 3jr1 s SER 87 N -2.89 2.10 0.15 1.40 1.04 -0.69 0.06 113.70 114.87 3jr1 s SER 87 Ca 0.08 -1.15 -0.24 0.00 0.48 0.00 0.00 55.95 55.11 3jr1 s SER 87 Cb 0.05 -0.05 0.07 0.00 0.10 0.00 0.00 66.02 66.19 3jr1 s SER 87 CO -0.09 -0.40 0.73 0.72 0.98 0.00 0.00 173.24 175.18 3jr1 s PHE 88 N -3.27 -0.38 -0.01 5.02 -0.12 -0.71 -2.15 117.98 116.36 3jr1 s PHE 88 Ca 0.26 0.13 0.05 0.00 -0.05 0.00 0.00 56.93 57.32 3jr1 s PHE 88 Cb 0.04 0.59 -0.01 0.00 -0.63 0.00 0.00 43.02 43.01 3jr1 s PHE 88 CO 0.08 -0.86 -0.17 -1.17 -0.05 0.00 0.00 175.22 173.05 3jr1 s LEU 89 N -2.74 2.03 -0.14 -1.99 2.96 0.02 -2.93 118.68 115.88 3jr1 s LEU 89 Ca 0.05 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.66 3jr1 s LEU 89 Cb -0.02 -0.86 0.02 0.00 0.50 0.00 0.00 46.19 45.83 3jr1 s LEU 89 CO -0.06 0.20 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.27 3jr1 s LEU 90 N -0.38 1.64 0.22 -0.68 1.43 -0.36 -1.32 118.68 119.24 3jr1 s LEU 90 Ca 0.06 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 52.74 3jr1 s LEU 90 Cb -0.07 -1.14 -0.05 0.00 0.03 0.00 0.00 46.19 44.96 3jr1 s LEU 90 CO -0.01 -0.06 -0.02 -0.76 0.23 0.00 0.00 176.35 175.74 3jr1 s LEU 91 N 1.48 2.25 0.24 1.79 1.43 0.65 -0.22 118.68 126.30 3jr1 s LEU 91 Ca 0.04 -1.19 -0.31 0.00 -1.03 0.00 0.00 54.13 51.64 3jr1 s LEU 91 Cb -0.13 -0.30 -0.14 0.00 0.03 0.00 0.00 46.19 45.65 3jr1 s LEU 91 CO -0.10 -0.48 1.32 1.21 0.23 0.00 0.00 176.35 178.53 3jr1 n GLU 92 N -0.40 1.83 -3.05 1.70 2.13 -0.39 -0.78 120.64 121.69 3jr1 n GLU 92 Ca -0.06 0.65 -0.43 0.00 0.66 0.00 0.00 57.16 57.98 3jr1 n GLU 92 Cb 0.63 -2.25 -0.06 0.00 0.27 0.00 0.00 31.44 30.04 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 -0.26 3.31 0.20 4.31 0.00 -1.26 -4.53 121.76 123.53 3jr1 s ALA 93 Ca 0.67 -1.56 -0.30 0.00 0.00 0.00 0.00 51.96 50.78 3jr1 s ALA 93 Cb -0.68 -3.48 -0.08 0.00 0.00 0.00 0.00 23.12 18.88 3jr1 s ALA 93 CO 0.52 -2.13 0.93 -0.51 0.00 0.00 0.00 175.76 174.58 3jr1 s LEU 94 N 3.07 4.60 -0.50 0.00 1.43 -1.26 -5.00 118.68 121.02 3jr1 s LEU 94 Ca 0.20 1.88 -0.23 0.00 -1.03 0.00 0.00 54.13 54.95 3jr1 s LEU 94 Cb -0.17 -3.57 0.04 0.00 0.03 0.00 0.00 46.19 42.52 3jr1 s LEU 94 CO 0.15 0.10 0.82 0.20 0.23 0.00 0.00 176.35 177.85 3jr1 s ASN 95 N -0.84 6.35 -0.16 2.29 0.01 -1.26 -5.02 114.94 116.30 3jr1 s ASN 95 Ca 0.42 -0.36 -0.29 0.00 -0.71 0.00 0.00 52.86 51.92 3jr1 s ASN 95 Cb -0.25 -2.39 -0.01 0.00 0.41 0.00 0.00 41.25 39.01 3jr1 s ASN 95 CO 0.31 -1.04 1.26 -1.59 -1.51 0.00 0.00 177.10 174.52 3jr1 s LYS 96 N 3.44 4.24 0.40 -0.60 -2.85 -1.26 -4.49 119.74 118.63 3jr1 s LYS 96 Ca 0.27 1.66 0.07 0.00 -1.00 0.00 0.00 55.97 56.98 3jr1 s LYS 96 Cb -0.14 -3.75 -0.05 0.00 -2.06 0.00 0.00 37.83 31.83 3jr1 s LYS 96 CO 0.19 -0.69 0.18 -1.54 0.10 0.00 0.00 175.35 173.59 3jr1 s SER 97 N 1.93 4.46 0.19 0.03 1.04 -0.06 -5.02 113.70 116.27 3jr1 s SER 97 Ca 0.55 -1.04 -0.33 0.00 0.48 0.00 0.00 55.95 55.61 3jr1 s SER 97 Cb -0.22 -0.51 -0.14 0.00 0.10 0.00 0.00 66.02 65.26 3jr1 s SER 97 CO 0.15 -0.52 1.43 2.29 0.98 0.00 0.00 173.24 177.57 3jr1 n LYS 98 N -1.23 1.88 -1.72 4.02 0.00 -1.26 -4.58 118.16 115.26 3jr1 n LYS 98 Ca -0.01 0.67 -0.41 0.00 -0.00 0.00 0.00 58.31 58.56 3jr1 n LYS 98 Cb 0.64 -2.35 0.01 0.00 -0.00 0.00 0.00 35.03 33.33 3jr1 n LYS 98 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3jr1 n ASN 99 N 2.60 2.91 -3.96 -5.58 3.02 -1.26 -4.98 115.26 108.01 3jr1 n ASN 99 Ca 0.15 1.15 -0.30 0.00 -0.03 0.00 0.00 54.58 55.55 3jr1 n ASN 99 Cb 0.28 -1.53 -0.16 0.00 -0.61 0.00 0.00 39.78 37.76 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 -2.15 1.88 0.28 3.52 1.02 -1.26 -5.03 119.74 118.00 3jr1 s LYS 100 Ca 0.58 -0.67 -0.01 0.00 0.02 0.00 0.00 55.97 55.90 3jr1 s LYS 100 Cb -0.51 -2.20 0.48 0.00 -0.52 0.00 0.00 37.83 35.08 3jr1 s LYS 100 CO 0.60 -0.39 1.88 0.37 -0.92 0.00 0.00 175.35 176.89 3jr1 h GLN 101 N 8.04 1.07 0.00 1.68 4.15 -2.03 -1.24 115.11 126.78 3jr1 h GLN 101 Ca -0.29 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.05 3jr1 h GLN 101 Cb 1.11 -0.24 -0.00 0.00 0.21 0.00 0.00 27.48 28.56 3jr1 h GLN 101 CO 0.46 0.71 -0.07 0.66 -1.93 0.00 0.00 178.83 178.65 3jr1 h SER 102 N 1.10 0.00 0.13 -0.69 4.64 -2.00 -1.74 113.55 114.98 3jr1 h SER 102 Ca 0.44 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.75 3jr1 h SER 102 Cb 0.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3jr1 h SER 102 CO -0.18 0.07 -0.04 0.28 -0.87 0.00 0.00 176.83 176.09 3jr1 h SER 103 N 0.00 0.00 1.18 4.97 0.02 -1.53 -1.84 113.55 116.36 3jr1 h SER 103 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3jr1 h SER 103 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 3jr1 h SER 103 CO 0.01 0.04 0.00 -0.26 -1.14 0.00 0.00 176.83 175.48 3jr1 h PHE 104 N 0.00 0.00 -0.18 3.45 0.04 -1.44 -2.07 116.94 116.74 3jr1 h PHE 104 Ca -0.00 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 3jr1 h PHE 104 Cb 0.12 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.27 3jr1 h PHE 104 CO 0.00 0.00 -0.19 1.15 -0.60 0.00 0.00 178.31 178.67 3jr1 h THR 105 N 0.00 1.34 -0.46 -1.55 2.02 -1.48 -2.35 112.91 110.42 3jr1 h THR 105 Ca 0.00 -1.35 -0.06 0.00 0.77 0.00 0.00 66.41 65.77 3jr1 h THR 105 Cb 0.59 1.82 -0.02 0.00 -1.74 0.00 0.00 68.15 68.80 3jr1 h THR 105 CO 0.00 0.41 0.06 0.40 0.37 0.00 0.00 175.52 176.75 3jr1 h ILE 106 N 0.09 1.25 -0.86 3.11 1.08 -1.62 -2.78 117.51 117.78 3jr1 h ILE 106 Ca 0.03 -0.94 0.07 0.00 -0.39 0.00 0.00 64.86 63.62 3jr1 h ILE 106 Cb 0.73 0.97 -0.06 0.00 -3.07 0.00 0.00 36.82 35.39 3jr1 h ILE 106 CO 0.05 0.33 0.53 0.15 -0.69 0.00 0.00 178.15 178.51 3jr1 h PHE 107 N 0.63 0.98 -0.42 1.37 3.57 -1.38 -0.55 116.94 121.14 3jr1 h PHE 107 Ca 0.14 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 3jr1 h PHE 107 Cb 0.41 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 3jr1 h PHE 107 CO 0.03 0.49 0.08 0.00 -2.23 0.00 0.00 178.31 176.68 3jr1 h ALA 108 N 1.41 1.37 -0.36 2.41 0.00 -1.27 0.37 119.26 123.18 3jr1 h ALA 108 Ca 0.38 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 3jr1 h ALA 108 Cb 0.20 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3jr1 h ALA 108 CO -0.18 0.45 -0.19 0.93 0.00 0.00 0.00 179.25 180.26 3jr1 h GLU 109 N 0.61 0.69 -0.05 0.00 5.08 -0.87 -0.67 114.58 119.37 3jr1 h GLU 109 Ca 0.14 -0.25 -0.16 0.00 -1.00 0.00 0.00 59.36 58.09 3jr1 h GLU 109 Cb 0.26 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.48 3jr1 h GLU 109 CO -0.00 0.83 -0.58 0.87 -1.00 0.00 0.00 179.01 179.13 3jr1 h LYS 110 N 0.61 0.47 -0.71 2.33 1.79 -0.39 -1.78 116.57 118.88 3jr1 h LYS 110 Ca 0.09 -0.45 0.04 0.00 -2.18 0.00 0.00 60.65 58.16 3jr1 h LYS 110 Cb 0.65 0.11 -0.05 0.00 -1.58 0.00 0.00 32.23 31.37 3jr1 h LYS 110 CO 0.05 1.09 0.43 0.82 -1.08 0.00 0.00 179.45 180.76 3jr1 h ILE 111 N 0.02 1.06 0.26 1.86 1.08 -0.26 0.01 117.51 121.54 3jr1 h ILE 111 Ca -0.06 -0.28 0.01 0.00 -0.39 0.00 0.00 64.86 64.13 3jr1 h ILE 111 Cb 1.26 0.15 -0.03 0.00 -3.07 0.00 0.00 36.82 35.13 3jr1 h ILE 111 CO 0.12 0.15 -0.32 0.00 -0.69 0.00 0.00 178.15 177.41 3jr1 h ALA 112 N 1.33 -0.63 -0.59 1.87 0.00 -1.11 -1.28 119.26 118.84 3jr1 h ALA 112 Ca 0.30 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.23 3jr1 h ALA 112 Cb 0.08 0.47 -0.09 0.00 0.00 0.00 0.00 17.79 18.25 3jr1 h ALA 112 CO -0.14 -0.90 0.09 0.37 0.00 0.00 0.00 179.25 178.67 3jr1 h GLN 113 N -0.62 0.20 -0.30 0.00 4.15 -0.92 0.36 115.11 117.98 3jr1 h GLN 113 Ca -0.00 -0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.46 3jr1 h GLN 113 Cb 0.59 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 28.18 3jr1 h GLN 113 CO -0.10 0.13 -0.04 1.25 -1.93 0.00 0.00 178.83 178.14 3jr1 h LEU 114 N 0.21 -0.21 -1.43 -2.39 5.85 -0.68 -2.47 115.31 114.19 3jr1 h LEU 114 Ca 0.31 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 59.07 3jr1 h LEU 114 Cb 0.47 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 3jr1 h LEU 114 CO -0.43 -0.07 -0.20 0.45 -0.34 0.00 0.00 178.44 177.85 3jr1 h HIS 115 N 0.04 0.00 0.00 1.25 3.86 -0.08 -2.99 115.15 117.22 3jr1 h HIS 115 Ca 0.14 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.32 3jr1 h HIS 115 Cb 0.21 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.67 3jr1 h HIS 115 CO -0.26 0.20 -0.16 1.96 0.86 0.00 0.00 177.93 180.54 3jr1 h GLN 116 N 0.00 0.00 -6.31 2.45 4.20 -0.51 -3.44 115.11 111.51 3jr1 h GLN 116 Ca -0.00 0.00 -0.62 0.00 0.06 0.00 0.00 58.65 58.09 3jr1 h GLN 116 Cb 0.59 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.40 3jr1 h GLN 116 CO 0.03 0.16 1.01 -0.89 -0.67 0.00 0.00 178.83 178.46 3jr1 n ILE 117 N -3.20 0.44 -3.08 2.54 5.41 -1.11 -4.95 119.36 115.41 3jr1 n ILE 117 Ca 0.02 -0.08 -0.40 0.00 1.00 0.00 0.00 62.75 63.29 3jr1 n ILE 117 Cb 0.49 -1.74 -0.05 0.00 -0.71 0.00 0.00 39.64 37.64 3jr1 n ILE 117 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 3jr1 s GLN 118 N 3.34 4.40 0.00 0.38 -0.21 -1.26 -4.66 119.66 121.64 3jr1 s GLN 118 Ca 0.90 0.81 0.00 0.00 0.02 0.00 0.00 55.36 57.09 3jr1 s GLN 118 Cb -0.72 -3.46 0.00 0.00 1.00 0.00 0.00 33.01 29.82 3jr1 s GLN 118 CO 0.50 0.03 0.00 0.41 -2.12 0.00 0.00 175.29 174.11 3jr1 n GLY 119 N 3.21 3.87 3.71 3.09 0.00 -1.26 -5.15 105.19 112.66 3jr1 n GLY 119 Ca -0.02 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 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 3.03 0.88 -0.18 1.61 0.04 -1.26 -4.97 135.00 134.16 3jr1 s PRO 120 Ca 0.00 0.58 0.16 0.00 0.04 0.00 0.00 61.00 61.78 3jr1 s PRO 120 Cb 0.00 -1.78 0.70 0.00 0.04 0.00 0.00 34.50 33.46 3jr1 s PRO 120 CO 0.00 -2.44 1.62 -0.40 0.04 0.00 0.00 177.00 175.82 3jr1 n ASP 121 N -3.98 4.92 -4.27 6.66 5.68 -1.26 -4.54 116.55 119.75 3jr1 n ASP 121 Ca 0.06 -2.78 -0.15 0.00 -0.50 0.00 0.00 54.79 51.42 3jr1 n ASP 121 Cb 0.57 -0.60 -0.10 0.00 -1.14 0.00 0.00 41.12 39.84 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 -2.45 1.18 -0.07 0.11 1.02 -1.26 -4.86 119.74 113.41 3jr1 s LYS 122 Ca 0.49 -1.57 -0.04 0.00 0.02 0.00 0.00 55.97 54.87 3jr1 s LYS 122 Cb 0.36 -0.43 -0.04 0.00 -0.52 0.00 0.00 37.83 37.20 3jr1 s LYS 122 CO 0.17 -0.09 0.13 0.71 -0.92 0.00 0.00 175.35 175.34 3jr1 s TYR 123 N -3.54 3.49 -2.50 3.18 2.02 -0.16 -4.86 117.35 114.99 3jr1 s TYR 123 Ca 0.25 0.40 0.00 0.00 -0.37 0.00 0.00 57.07 57.34 3jr1 s TYR 123 Cb 0.05 -1.86 0.00 0.00 -0.40 0.00 0.00 41.96 39.75 3jr1 s TYR 123 CO 0.05 0.66 0.00 0.41 -1.57 0.00 0.00 175.55 175.10 3jr1 n GLY 124 N 1.56 0.51 3.53 0.71 0.00 -0.38 -1.43 105.19 109.70 3jr1 n GLY 124 Ca -0.16 -1.84 -0.09 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.35 0.61 0.99 2.96 -0.83 -0.15 118.68 121.91 3jr1 s LEU 125 Ca 0.00 0.13 0.38 0.00 -0.22 0.00 0.00 54.13 54.42 3jr1 s LEU 125 Cb 0.00 1.94 1.97 0.00 0.50 0.00 0.00 46.19 50.59 3jr1 s LEU 125 CO 0.00 -0.51 2.22 0.44 -1.32 0.00 0.00 176.35 177.18 3jr1 h ASP 126 N 2.18 0.00 -4.45 3.68 3.32 -2.01 -3.41 116.42 115.73 3jr1 h ASP 126 Ca -0.20 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.56 3jr1 h ASP 126 Cb 1.21 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.61 3jr1 h ASP 126 CO 0.30 0.02 -0.67 0.72 -1.72 0.00 0.00 179.24 177.90 3jr1 s PHE 127 N -4.09 1.20 -0.09 4.55 -0.71 -1.26 -5.06 117.98 112.52 3jr1 s PHE 127 Ca -0.03 -0.99 -0.26 0.00 -1.04 0.00 0.00 56.93 54.62 3jr1 s PHE 127 Cb 0.12 -0.68 -0.03 0.00 -1.21 0.00 0.00 43.02 41.23 3jr1 s PHE 127 CO 0.48 -0.18 0.81 -0.51 -1.34 0.00 0.00 175.22 174.49 3jr1 s ASP 128 N -3.17 7.06 0.30 1.98 1.01 -1.26 -4.71 116.67 117.88 3jr1 s ASP 128 Ca 0.22 1.29 0.07 0.00 0.71 0.00 0.00 52.55 54.84 3jr1 s ASP 128 Cb 0.06 -2.46 -0.02 0.00 1.01 0.00 0.00 42.92 41.50 3jr1 s ASP 128 CO 0.03 -0.26 0.36 0.42 0.21 0.00 0.00 175.17 175.93 3jr1 s THR 129 N 1.36 4.22 0.08 -1.27 -4.23 -1.24 -4.87 115.64 109.69 3jr1 s THR 129 Ca 0.41 -1.16 0.07 0.00 -1.18 0.00 0.00 61.69 59.83 3jr1 s THR 129 Cb -0.18 -3.44 -0.04 0.00 1.34 0.00 0.00 72.50 70.19 3jr1 s THR 129 CO 0.18 -0.23 -0.14 0.26 -0.54 0.00 0.00 174.62 174.16 3jr1 s TRP 130 N -2.17 2.65 -0.33 3.99 0.52 -1.26 0.83 118.94 123.17 3jr1 s TRP 130 Ca 0.40 -0.20 -0.01 0.00 0.02 0.00 0.00 56.10 56.31 3jr1 s TRP 130 Cb -0.08 -1.43 0.11 0.00 -1.15 0.00 0.00 33.47 30.92 3jr1 s TRP 130 CO 0.28 0.37 0.13 -1.17 0.02 0.00 0.00 176.95 176.59 3jr1 s LEU 131 N -1.93 2.01 0.00 2.99 2.96 -0.54 -4.28 118.68 119.89 3jr1 s LEU 131 Ca 0.18 -1.80 0.00 0.00 -0.22 0.00 0.00 54.13 52.29 3jr1 s LEU 131 Cb -0.11 -0.79 0.00 0.00 0.50 0.00 0.00 46.19 45.79 3jr1 s LEU 131 CO 0.10 -0.39 0.00 0.61 -1.32 0.00 0.00 176.35 175.36 3jr1 n GLY 132 N 4.62 0.44 0.00 7.98 0.00 -1.26 -3.18 105.19 113.79 3jr1 n GLY 132 Ca 0.00 -0.87 0.01 0.00 0.00 0.00 0.00 46.02 45.17 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 2.78 0.89 -5.23 1.61 -0.04 -1.26 -4.78 135.00 128.97 3jr1 n PRO 133 Ca 0.00 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.14 3jr1 n PRO 133 Cb 0.00 -1.04 -0.17 0.00 -0.04 0.00 0.00 33.50 32.25 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 -2.00 2.10 0.48 0.52 -5.25 -1.19 -5.12 121.20 110.73 3jr1 s ILE 134 Ca 0.04 -1.03 -0.17 0.00 -0.99 0.00 0.00 60.65 58.50 3jr1 s ILE 134 Cb 0.02 -1.78 -0.08 0.00 2.95 0.00 0.00 42.46 43.57 3jr1 s ILE 134 CO 0.03 0.57 0.94 -0.72 -1.79 0.00 0.00 174.94 173.96 3jr1 s TYR 135 N 0.06 3.42 -0.27 1.37 -0.85 -1.26 -1.46 117.35 118.36 3jr1 s TYR 135 Ca -0.10 1.43 -0.08 0.00 -0.52 0.00 0.00 57.07 57.80 3jr1 s TYR 135 Cb -0.16 -2.75 -0.02 0.00 0.38 0.00 0.00 41.96 39.41 3jr1 s TYR 135 CO 0.06 -0.26 0.10 -0.65 -1.52 0.00 0.00 175.55 173.27 3jr1 s GLN 136 N -3.82 3.59 0.14 -3.49 -0.21 0.24 -4.90 119.66 111.21 3jr1 s GLN 136 Ca 0.58 -0.53 -0.31 0.00 0.02 0.00 0.00 55.36 55.12 3jr1 s GLN 136 Cb -0.10 -3.40 -0.10 0.00 1.00 0.00 0.00 33.01 30.41 3jr1 s GLN 136 CO 0.27 -0.25 1.63 -2.14 -2.12 0.00 0.00 175.29 172.68 3jr1 s PRO 137 N 1.62 4.20 -0.06 2.91 0.02 -1.26 -3.72 135.00 138.70 3jr1 s PRO 137 Ca 0.06 2.39 0.09 0.00 0.02 0.00 0.00 61.00 63.57 3jr1 s PRO 137 Cb -0.16 -3.31 0.18 0.00 0.02 0.00 0.00 34.50 31.24 3jr1 s PRO 137 CO 0.05 -0.67 1.12 0.09 -0.33 0.00 0.00 177.00 177.25 3jr1 n ASN 138 N 4.57 2.39 -4.63 2.53 3.02 -1.26 -4.91 115.26 116.96 3jr1 n ASN 138 Ca 0.15 -2.48 -0.47 0.00 -0.03 0.00 0.00 54.58 51.74 3jr1 n ASN 138 Cb 0.39 -0.23 -0.04 0.00 -0.61 0.00 0.00 39.78 39.29 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 -0.73 2.33 -4.77 6.41 5.75 -1.26 -1.96 116.55 122.32 3jr1 n ASP 139 Ca 0.09 1.12 -0.41 0.00 -0.01 0.00 0.00 54.79 55.58 3jr1 n ASP 139 Cb 0.47 -1.33 -0.01 0.00 -1.03 0.00 0.00 41.12 39.21 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 0.31 2.79 -0.01 2.11 0.52 -1.26 -4.73 118.94 118.68 3jr1 s TRP 140 Ca 0.76 1.23 -0.00 0.00 0.02 0.00 0.00 56.10 58.11 3jr1 s TRP 140 Cb -0.76 -3.88 0.00 0.00 -1.15 0.00 0.00 33.47 27.67 3jr1 s TRP 140 CO 0.46 -2.58 0.01 -0.65 0.02 0.00 0.00 176.95 174.22 3jr1 s GLN 141 N -1.80 0.02 0.16 4.98 -1.52 -0.51 -4.95 119.66 116.03 3jr1 s GLN 141 Ca 0.52 0.02 0.10 0.00 -1.95 0.00 0.00 55.36 54.05 3jr1 s GLN 141 Cb -0.44 0.01 -0.13 0.00 -0.22 0.00 0.00 33.01 32.23 3jr1 s GLN 141 CO 0.57 -0.00 1.29 1.79 -0.25 0.00 0.00 175.29 178.70 3jr1 h THR 142 N 5.13 1.41 -3.60 -0.19 1.35 -1.89 -0.39 112.91 114.73 3jr1 h THR 142 Ca -0.24 -3.01 -0.67 0.00 -0.55 0.00 0.00 66.41 61.94 3jr1 h THR 142 Cb 1.21 2.69 -0.17 0.00 -1.73 0.00 0.00 68.15 70.15 3jr1 h THR 142 CO 0.50 0.80 -0.14 -0.55 -0.25 0.00 0.00 175.52 175.88 3jr1 s SER 143 N -6.59 6.24 0.20 5.36 0.15 -1.26 -4.82 113.70 112.99 3jr1 s SER 143 Ca 0.02 -0.33 -0.11 0.00 0.70 0.00 0.00 55.95 56.23 3jr1 s SER 143 Cb 0.09 -2.24 0.14 0.00 -1.71 0.00 0.00 66.02 62.30 3jr1 s SER 143 CO 0.80 -0.52 1.87 -0.25 1.20 0.00 0.00 173.24 176.34 3jr1 h TRP 144 N 8.60 0.91 -0.55 3.44 -0.00 -1.85 -0.63 115.95 125.87 3jr1 h TRP 144 Ca -0.28 0.02 0.11 0.00 -0.00 0.00 0.00 58.89 58.74 3jr1 h TRP 144 Cb 1.12 -0.31 -0.11 0.00 -0.00 0.00 0.00 29.16 29.87 3jr1 h TRP 144 CO 0.68 0.58 -0.25 0.00 -0.00 0.00 0.00 178.44 179.45 3jr1 h ALA 145 N 1.25 0.12 -0.16 2.65 0.00 -1.77 0.22 119.26 121.58 3jr1 h ALA 145 Ca 0.26 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.32 3jr1 h ALA 145 Cb -0.10 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3jr1 h ALA 145 CO -0.06 -0.58 -0.03 -0.22 0.00 0.00 0.00 179.25 178.37 3jr1 h LYS 146 N -0.12 0.30 0.12 0.00 3.64 -1.84 -2.28 116.57 116.39 3jr1 h LYS 146 Ca 0.25 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.52 3jr1 h LYS 146 Cb 0.51 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 3jr1 h LYS 146 CO -0.62 0.57 -0.15 0.35 -2.27 0.00 0.00 179.45 177.33 3jr1 h PHE 147 N 0.00 -0.38 -0.21 1.91 3.04 -0.32 -1.34 116.94 119.65 3jr1 h PHE 147 Ca 0.04 0.00 -0.13 0.00 3.98 0.00 0.00 57.97 61.87 3jr1 h PHE 147 Cb 0.45 0.15 -0.00 0.00 2.56 0.00 0.00 35.95 39.12 3jr1 h PHE 147 CO 0.05 -0.22 -0.36 0.35 -2.02 0.00 0.00 178.31 176.11 3jr1 h PHE 148 N -0.30 0.77 -0.47 0.41 3.57 -0.67 -0.57 116.94 119.66 3jr1 h PHE 148 Ca 0.01 -0.27 0.09 0.00 3.53 0.00 0.00 57.97 61.34 3jr1 h PHE 148 Cb 0.31 -0.15 -0.08 0.00 2.79 0.00 0.00 35.95 38.82 3jr1 h PHE 148 CO -0.15 1.01 -0.00 1.03 -2.23 0.00 0.00 178.31 177.98 3jr1 h SER 149 N 0.30 -0.20 0.00 0.41 0.87 -1.39 -1.61 113.55 111.93 3jr1 h SER 149 Ca 0.02 0.11 -0.44 0.00 -1.23 0.00 0.00 61.79 60.25 3jr1 h SER 149 Cb 0.95 0.20 -0.07 0.00 -0.44 0.00 0.00 62.40 63.04 3jr1 h SER 149 CO 0.08 -0.06 -2.43 -0.62 -0.53 0.00 0.00 176.83 173.26 3jr1 n GLU 150 N -5.22 0.59 0.13 2.24 1.02 -0.51 -1.06 120.64 117.84 3jr1 n GLU 150 Ca 0.05 0.28 0.13 0.00 -0.02 0.00 0.00 57.16 57.59 3jr1 n GLU 150 Cb 0.25 -1.52 0.46 0.00 -0.02 0.00 0.00 31.44 30.61 3jr1 n GLU 150 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3jr1 h ASN 151 N -0.91 0.00 0.00 1.62 4.21 -1.25 -1.41 115.58 117.85 3jr1 h ASN 151 Ca -0.66 0.00 0.00 0.00 1.21 0.00 0.00 56.30 56.85 3jr1 h ASN 151 Cb 1.62 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.82 3jr1 h ASN 151 CO -0.38 0.00 0.00 0.54 -1.29 0.00 0.00 177.43 176.30 3jr1 n ARG 152 N -2.34 0.00 0.30 0.81 5.12 -1.03 -4.28 116.66 115.23 3jr1 n ARG 152 Ca 0.03 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.79 3jr1 n ARG 152 Cb 0.33 -0.12 -0.08 0.00 -1.16 0.00 0.00 32.46 31.42 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 0.44 -0.75 0.55 1.08 -1.39 -0.78 117.51 116.67 3jr1 h ILE 153 Ca 0.00 -0.15 -0.00 0.00 -0.39 0.00 0.00 64.86 64.32 3jr1 h ILE 153 Cb 0.00 0.51 -0.04 0.00 -3.07 0.00 0.00 36.82 34.22 3jr1 h ILE 153 CO 0.00 0.02 0.45 1.23 -0.69 0.00 0.00 178.15 179.17 3jr1 h GLY 154 N -0.83 1.09 0.93 5.37 0.00 -1.12 -0.01 103.07 108.51 3jr1 h GLY 154 Ca -0.07 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 3jr1 h GLY 154 CO 0.12 0.44 -0.21 -0.25 0.00 0.00 0.00 176.54 176.64 3jr1 h TRP 155 N 1.03 -0.55 -0.67 5.60 2.91 -1.19 -1.98 115.95 121.10 3jr1 h TRP 155 Ca 0.27 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.26 3jr1 h TRP 155 Cb -0.03 0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 28.78 3jr1 h TRP 155 CO -0.01 -0.33 0.32 1.96 -1.03 0.00 0.00 178.44 179.35 3jr1 h GLN 156 N -0.55 0.95 -0.81 2.65 1.08 -0.89 -2.09 115.11 115.46 3jr1 h GLN 156 Ca -0.04 -0.13 0.01 0.00 -1.45 0.00 0.00 58.65 57.04 3jr1 h GLN 156 Cb 0.44 -0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 27.65 3jr1 h GLN 156 CO 0.05 0.74 0.53 -0.07 -0.95 0.00 0.00 178.83 179.13 3jr1 h LEU 157 N 0.95 0.91 -0.39 1.46 3.38 -0.79 -0.15 115.31 120.67 3jr1 h LEU 157 Ca 0.23 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 3jr1 h LEU 157 Cb 0.10 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3jr1 h LEU 157 CO -0.03 0.65 0.12 1.56 0.09 0.00 0.00 178.44 180.83 3jr1 h GLN 158 N 1.07 0.61 -0.37 1.13 4.20 -1.02 0.81 115.11 121.54 3jr1 h GLN 158 Ca 0.30 -0.13 0.01 0.00 0.06 0.00 0.00 58.65 58.89 3jr1 h GLN 158 Cb -0.09 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 3jr1 h GLN 158 CO -0.08 0.61 0.23 0.82 -0.67 0.00 0.00 178.83 179.75 3jr1 h ILE 159 N 0.48 1.07 -0.65 2.54 2.04 -1.10 -1.76 117.51 120.13 3jr1 h ILE 159 Ca 0.13 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.85 3jr1 h ILE 159 Cb 0.26 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 3jr1 h ILE 159 CO -0.00 0.09 0.41 0.00 0.00 0.00 0.00 178.15 178.64 3jr1 h LYS 161 N 0.81 0.89 -0.51 0.00 3.64 -0.27 -0.45 116.57 120.68 3jr1 h LYS 161 Ca 0.26 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.63 3jr1 h LYS 161 Cb -0.01 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.58 3jr1 h LYS 161 CO -0.09 0.59 0.34 1.49 -2.27 0.00 0.00 179.45 179.50 3jr1 h GLU 162 N 0.91 0.47 -0.00 1.90 4.81 -0.89 0.13 114.58 121.91 3jr1 h GLU 162 Ca 0.36 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 3jr1 h GLU 162 Cb 0.17 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.45 3jr1 h GLU 162 CO -0.17 0.31 -0.18 1.63 -0.73 0.00 0.00 179.01 179.87 3jr1 n LYS 163 N -4.47 0.28 -0.21 1.92 5.02 -0.29 -4.93 118.16 115.47 3jr1 n LYS 163 Ca 0.06 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 3jr1 n LYS 163 Cb 0.21 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 3jr1 n LYS 163 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jr1 n GLY 164 N 1.41 0.89 3.37 0.72 0.00 0.47 -5.04 105.19 107.00 3jr1 n GLY 164 Ca 0.10 -0.11 -0.45 0.00 0.00 0.00 0.00 46.02 45.55 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 5.78 -0.22 0.99 1.43 -0.53 -4.98 118.68 121.14 3jr1 s LEU 165 Ca 0.00 -1.88 -0.06 0.00 -1.03 0.00 0.00 54.13 51.16 3jr1 s LEU 165 Cb 0.00 -2.28 -0.02 0.00 0.03 0.00 0.00 46.19 43.91 3jr1 s LEU 165 CO 0.00 -0.94 0.03 -0.63 0.23 0.00 0.00 176.35 175.03 3jr1 s ILE 166 N 1.93 4.04 -0.20 -0.59 1.01 -1.26 -3.38 121.20 122.75 3jr1 s ILE 166 Ca 0.15 -0.27 0.13 0.00 0.00 0.00 0.00 60.65 60.66 3jr1 s ILE 166 Cb -0.18 -2.86 -0.18 0.00 0.01 0.00 0.00 42.46 39.25 3jr1 s ILE 166 CO -0.00 0.39 0.36 0.49 0.00 0.00 0.00 174.94 176.17 3jr1 n PHE 167 N 4.61 0.00 -3.15 3.97 3.72 -1.26 -5.10 117.46 120.25 3jr1 n PHE 167 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 3jr1 n PHE 167 Cb 0.51 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 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 1.62 -1.41 3.68 1.37 0.00 -1.26 -4.95 105.19 104.24 3jr1 n GLY 168 Ca -0.01 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 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 -3.42 6.93 0.16 1.61 3.84 -1.26 -4.93 114.94 117.86 3jr1 s ASN 169 Ca 0.00 1.95 -0.11 0.00 0.21 0.00 0.00 52.86 54.91 3jr1 s ASN 169 Cb 0.00 -2.55 0.02 0.00 -0.55 0.00 0.00 41.25 38.16 3jr1 s ASN 169 CO 0.00 -0.69 1.58 0.40 -2.79 0.00 0.00 177.10 175.60 3jr1 h ILE 170 N 5.08 1.27 -0.64 -5.21 2.04 -1.99 -2.12 117.51 115.94 3jr1 h ILE 170 Ca -0.35 -1.22 -0.02 0.00 1.00 0.00 0.00 64.86 64.27 3jr1 h ILE 170 Cb 1.16 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 3jr1 h ILE 170 CO 0.91 0.43 0.32 0.44 0.00 0.00 0.00 178.15 180.25 3jr1 h ASP 171 N 0.81 0.82 0.03 1.72 3.32 -1.99 -0.22 116.42 120.91 3jr1 h ASP 171 Ca 0.13 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 3jr1 h ASP 171 Cb 0.64 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3jr1 h ASP 171 CO 0.04 0.71 -0.01 0.25 -1.72 0.00 0.00 179.24 178.51 3jr1 h LEU 172 N 0.88 -0.03 -0.42 1.55 5.85 -1.94 0.28 115.31 121.48 3jr1 h LEU 172 Ca 0.22 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.94 3jr1 h LEU 172 Cb 0.09 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3jr1 h LEU 172 CO -0.03 -0.01 0.26 0.40 -0.34 0.00 0.00 178.44 178.72 3jr1 h ILE 173 N -0.05 1.07 -0.11 4.05 2.04 -1.12 0.34 117.51 123.73 3jr1 h ILE 173 Ca -0.00 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.70 3jr1 h ILE 173 Cb 0.04 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 3jr1 h ILE 173 CO 0.01 0.10 -0.03 0.58 0.00 0.00 0.00 178.15 178.80 3jr1 h VAL 174 N 0.53 0.89 -0.51 1.67 2.07 -0.83 -0.43 116.25 119.64 3jr1 h VAL 174 Ca 0.16 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.70 3jr1 h VAL 174 Cb -0.02 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3jr1 h VAL 174 CO -0.06 0.00 0.32 1.56 0.02 0.00 0.00 177.57 179.41 3jr1 h GLN 175 N -0.00 0.62 -0.56 1.57 4.20 -0.67 0.25 115.11 120.52 3jr1 h GLN 175 Ca 0.05 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 3jr1 h GLN 175 Cb 0.08 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 3jr1 h GLN 175 CO -0.11 0.41 0.30 0.82 -0.67 0.00 0.00 178.83 179.58 3jr1 h ILE 176 N 0.64 1.19 -0.60 2.54 2.04 -0.67 0.42 117.51 123.06 3jr1 h ILE 176 Ca 0.20 -0.50 -0.09 0.00 1.00 0.00 0.00 64.86 65.47 3jr1 h ILE 176 Cb -0.02 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 3jr1 h ILE 176 CO -0.07 0.21 0.03 0.58 0.00 0.00 0.00 178.15 178.89 3jr1 h VAL 177 N 0.76 1.26 -0.44 1.67 2.07 -0.78 -2.04 116.25 118.75 3jr1 h VAL 177 Ca 0.20 -1.10 -0.05 0.00 0.82 0.00 0.00 66.70 66.56 3jr1 h VAL 177 Cb 0.06 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3jr1 h VAL 177 CO -0.03 0.40 0.07 0.00 0.02 0.00 0.00 177.57 178.04 3jr1 h ALA 178 N 1.06 0.59 -0.38 1.67 0.00 0.05 -2.65 119.26 119.60 3jr1 h ALA 178 Ca 0.18 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.92 3jr1 h ALA 178 Cb 0.51 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3jr1 h ALA 178 CO 0.02 0.31 0.06 -0.44 0.00 0.00 0.00 179.25 179.20 3jr1 h ASP 179 N 0.59 -0.03 -0.74 0.00 3.32 0.08 -0.21 116.42 119.44 3jr1 h ASP 179 Ca 0.13 0.07 0.06 0.00 0.02 0.00 0.00 57.03 57.31 3jr1 h ASP 179 Cb 0.38 0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.98 3jr1 h ASP 179 CO 0.01 0.02 0.49 0.74 -1.72 0.00 0.00 179.24 178.78 3jr1 h THR 180 N 0.18 1.04 -0.02 0.35 2.02 -1.19 -1.55 112.91 113.73 3jr1 h THR 180 Ca 0.18 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3jr1 h THR 180 Cb 0.22 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 3jr1 h THR 180 CO -0.25 0.15 -0.05 0.18 0.37 0.00 0.00 175.52 175.92 3jr1 n LEU 181 N -4.48 1.73 -0.33 2.58 4.77 -0.94 -4.58 117.00 115.75 3jr1 n LEU 181 Ca 0.11 -0.57 0.22 0.00 -0.03 0.00 0.00 56.01 55.74 3jr1 n LEU 181 Cb 0.21 -0.01 0.42 0.00 -2.33 0.00 0.00 43.42 41.71 3jr1 n LEU 181 CO 0.34 0.29 0.92 -1.28 -1.33 0.00 0.00 177.39 176.33 3jr1 h SER 182 N 2.65 -0.10 -0.42 -1.43 0.87 0.03 0.19 113.55 115.33 3jr1 h SER 182 Ca 0.00 0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 3jr1 h SER 182 Cb 0.60 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 3jr1 h SER 182 CO 0.00 -0.38 0.00 0.29 -0.53 0.00 0.00 176.83 176.21 3jr1 n LYS 183 N -5.37 3.18 -3.79 2.24 4.01 -1.26 -4.91 118.16 112.26 3jr1 n LYS 183 Ca 0.30 -2.58 -0.36 0.00 -0.51 0.00 0.00 58.31 55.16 3jr1 n LYS 183 Cb 0.99 -1.65 -0.12 0.00 -0.51 0.00 0.00 35.03 33.74 3jr1 n LYS 183 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 3jr1 s HIS 184 N -1.84 3.55 -0.62 2.13 5.04 0.66 -4.97 115.29 119.25 3jr1 s HIS 184 Ca 0.38 -2.34 0.05 0.00 -1.54 0.00 0.00 55.06 51.61 3jr1 s HIS 184 Cb 0.26 -3.09 0.19 0.00 0.04 0.00 0.00 32.58 29.97 3jr1 s HIS 184 CO 0.17 -0.95 0.51 0.09 -2.34 0.00 0.00 174.74 172.21 3jr1 n ASN 185 N 4.60 2.26 -4.82 9.88 4.13 -1.26 -4.35 115.26 125.69 3jr1 n ASN 185 Ca -0.03 -3.05 -0.30 0.00 1.68 0.00 0.00 54.58 52.88 3jr1 n ASN 185 Cb 0.42 -0.69 0.09 0.00 -1.54 0.00 0.00 39.78 38.05 3jr1 n ASN 185 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 3jr1 s PRO 186 N -1.30 2.03 0.08 3.52 0.04 -1.26 -4.95 135.00 133.16 3jr1 s PRO 186 Ca 0.30 0.52 -0.35 0.00 0.04 0.00 0.00 61.00 61.51 3jr1 s PRO 186 Cb 0.02 -1.92 -0.14 0.00 0.04 0.00 0.00 34.50 32.50 3jr1 s PRO 186 CO -0.15 -1.63 1.60 1.17 0.04 0.00 0.00 177.00 178.03 3jr1 n LYS 187 N -3.42 1.93 -2.04 4.56 4.81 -1.26 -4.89 118.16 117.86 3jr1 n LYS 187 Ca 0.07 0.70 -0.42 0.00 -0.87 0.00 0.00 58.31 57.79 3jr1 n LYS 187 Cb 0.57 -2.46 -0.03 0.00 0.02 0.00 0.00 35.03 33.14 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 1.51 4.27 0.04 1.64 0.02 -1.26 -4.74 135.00 136.49 3jr1 s PRO 188 Ca 0.83 2.25 0.09 0.00 0.02 0.00 0.00 61.00 64.19 3jr1 s PRO 188 Cb -0.75 -3.15 -0.03 0.00 0.02 0.00 0.00 34.50 30.59 3jr1 s PRO 188 CO 0.43 -0.46 -0.25 -1.12 -0.33 0.00 0.00 177.00 175.28 3jr1 s SER 189 N 0.70 3.28 -0.20 2.53 0.01 0.15 -4.60 113.70 115.57 3jr1 s SER 189 Ca 0.63 -0.55 -0.29 0.00 1.31 0.00 0.00 55.95 57.04 3jr1 s SER 189 Cb -0.41 -0.35 -0.01 0.00 0.21 0.00 0.00 66.02 65.46 3jr1 s SER 189 CO 0.37 0.26 1.28 -0.51 0.41 0.00 0.00 173.24 175.05 3jr1 s ILE 190 N -0.82 4.23 0.01 1.44 1.10 -1.26 -1.21 121.20 124.69 3jr1 s ILE 190 Ca 0.12 1.46 -0.04 0.00 -0.51 0.00 0.00 60.65 61.68 3jr1 s ILE 190 Cb -0.10 -4.03 -0.04 0.00 0.15 0.00 0.00 42.46 38.43 3jr1 s ILE 190 CO 0.02 -0.22 0.23 -0.76 -2.11 0.00 0.00 174.94 172.11 3jr1 s LEU 191 N 3.76 4.36 0.14 8.50 1.43 -0.48 -4.47 118.68 131.93 3jr1 s LEU 191 Ca 0.55 0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 53.96 3jr1 s LEU 191 Cb -0.21 -2.71 0.01 0.00 0.03 0.00 0.00 46.19 43.32 3jr1 s LEU 191 CO 0.17 0.24 1.64 -0.74 0.23 0.00 0.00 176.35 177.89 3jr1 h HIS 192 N 3.78 0.75 0.00 0.29 -0.00 -1.91 -3.32 115.15 114.75 3jr1 h HIS 192 Ca -0.49 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 59.79 3jr1 h HIS 192 Cb 1.19 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 28.39 3jr1 h HIS 192 CO 0.67 0.70 0.00 0.41 -0.00 0.00 0.00 177.93 179.71 3jr1 n GLY 193 N -0.59 2.12 2.78 5.26 0.00 -1.26 -0.98 105.19 112.52 3jr1 n GLY 193 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 0.95 -4.54 1.61 5.15 -1.26 -4.52 115.26 112.64 3jr1 n ASN 194 Ca 0.00 -2.19 -0.41 0.00 -0.60 0.00 0.00 54.58 51.38 3jr1 n ASN 194 Cb 0.00 -0.25 -0.03 0.00 -0.53 0.00 0.00 39.78 38.97 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 -3.71 3.51 0.17 1.20 2.96 -1.26 -4.77 118.68 116.77 3jr1 s LEU 195 Ca 0.24 -1.09 -0.13 0.00 -0.22 0.00 0.00 54.13 52.93 3jr1 s LEU 195 Cb 0.37 -2.55 0.01 0.00 0.50 0.00 0.00 46.19 44.52 3jr1 s LEU 195 CO -0.04 -1.60 0.39 -1.66 -1.32 0.00 0.00 176.35 172.11 3jr1 s TRP 196 N 5.09 0.14 0.34 5.38 1.48 -1.26 -2.36 118.94 127.74 3jr1 s TRP 196 Ca 0.40 -0.49 0.11 0.00 -1.06 0.00 0.00 56.10 55.06 3jr1 s TRP 196 Cb -0.04 0.15 0.94 0.00 -1.16 0.00 0.00 33.47 33.35 3jr1 s TRP 196 CO 0.00 -0.79 1.73 0.97 -4.06 0.00 0.00 176.95 174.80 3jr1 h ILE 197 N 2.40 0.52 0.00 0.66 6.09 -1.85 -0.14 117.51 125.20 3jr1 h ILE 197 Ca -0.31 -0.18 -0.01 0.00 -1.37 0.00 0.00 64.86 62.99 3jr1 h ILE 197 Cb 1.24 -0.06 -0.00 0.00 0.47 0.00 0.00 36.82 38.47 3jr1 h ILE 197 CO 0.44 0.10 -0.04 -0.33 -3.07 0.00 0.00 178.15 175.25 3jr1 h GLU 198 N 0.54 0.00 -0.64 2.19 5.08 -1.95 -1.47 114.58 118.32 3jr1 h GLU 198 Ca 0.64 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.00 3jr1 h GLU 198 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 3jr1 h GLU 198 CO -0.45 0.04 0.00 0.09 -1.00 0.00 0.00 179.01 177.69 3jr1 n ASN 199 N -3.31 4.16 -4.78 1.42 3.02 -0.06 -4.90 115.26 110.82 3jr1 n ASN 199 Ca -0.02 -2.38 -0.31 0.00 -0.03 0.00 0.00 54.58 51.85 3jr1 n ASN 199 Cb 0.18 -0.54 -0.06 0.00 -0.61 0.00 0.00 39.78 38.75 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 -1.38 -0.12 -0.20 0.00 1.01 0.61 -4.96 121.20 116.15 3jr1 s ILE 201 Ca 0.29 0.30 -0.29 0.00 0.00 0.00 0.00 60.65 60.95 3jr1 s ILE 201 Cb -0.12 -0.19 0.01 0.00 0.01 0.00 0.00 42.46 42.16 3jr1 s ILE 201 CO 0.22 0.12 1.04 -1.58 0.00 0.00 0.00 174.94 174.74 3jr1 s GLN 202 N 1.67 4.29 -0.30 2.79 2.00 -1.26 -0.01 119.66 128.84 3jr1 s GLN 202 Ca -0.03 1.37 0.01 0.00 -2.00 0.00 0.00 55.36 54.71 3jr1 s GLN 202 Cb -0.12 -3.62 0.09 0.00 0.80 0.00 0.00 33.01 30.16 3jr1 s GLN 202 CO -0.04 -0.57 0.05 0.08 -0.50 0.00 0.00 175.29 174.31 3jr1 s VAL 203 N 2.96 1.47 0.00 1.34 1.01 0.33 -0.88 120.40 126.64 3jr1 s VAL 203 Ca 0.45 -1.65 0.00 0.00 0.00 0.00 0.00 61.98 60.77 3jr1 s VAL 203 Cb -0.16 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.20 3jr1 s VAL 203 CO 0.08 -0.52 0.00 0.47 0.00 0.00 0.00 175.10 175.14 3jr1 n ASP 204 N 4.62 0.00 -1.40 3.32 9.92 -1.26 -2.20 116.55 129.55 3jr1 n ASP 204 Ca -0.02 0.00 0.10 0.00 -0.53 0.00 0.00 54.79 54.33 3jr1 n ASP 204 Cb 0.43 0.00 0.32 0.00 -0.64 0.00 0.00 41.12 41.22 3jr1 n ASP 204 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 3jr1 n ASP 205 N 8.80 4.10 -4.14 -2.24 2.03 -1.26 -4.95 116.55 118.90 3jr1 n ASP 205 Ca 0.00 -2.23 -0.14 0.00 0.52 0.00 0.00 54.79 52.93 3jr1 n ASP 205 Cb 0.00 -0.51 -0.11 0.00 -0.72 0.00 0.00 41.12 39.78 3jr1 n ASP 205 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3jr1 s LYS 206 N -1.51 0.74 -0.10 -0.67 1.02 -0.93 -4.79 119.74 113.51 3jr1 s LYS 206 Ca 0.47 -1.01 -0.16 0.00 0.02 0.00 0.00 55.97 55.30 3jr1 s LYS 206 Cb 0.28 -0.49 -0.05 0.00 -0.52 0.00 0.00 37.83 37.05 3jr1 s LYS 206 CO 0.26 0.08 0.39 0.42 -0.92 0.00 0.00 175.35 175.59 3jr1 s ILE 207 N -1.96 5.18 0.07 2.17 -1.09 -1.26 -0.51 121.20 123.79 3jr1 s ILE 207 Ca -0.00 0.78 0.05 0.00 -2.23 0.00 0.00 60.65 59.25 3jr1 s ILE 207 Cb -0.06 -3.72 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 3jr1 s ILE 207 CO 0.00 0.43 -0.07 -0.36 -1.23 0.00 0.00 174.94 173.71 3jr1 s PHE 208 N 0.03 2.84 -0.03 3.97 0.40 0.99 -4.34 117.98 121.84 3jr1 s PHE 208 Ca 0.22 -0.09 0.06 0.00 -0.60 0.00 0.00 56.93 56.52 3jr1 s PHE 208 Cb -0.15 -1.52 -0.01 0.00 0.51 0.00 0.00 43.02 41.85 3jr1 s PHE 208 CO 0.09 0.42 -0.20 0.54 0.70 0.00 0.00 175.22 176.77 3jr1 s VAL 209 N -1.16 1.58 0.40 -0.44 0.11 -0.61 -0.29 120.40 119.99 3jr1 s VAL 209 Ca 0.21 -0.84 0.00 0.00 -2.93 0.00 0.00 61.98 58.42 3jr1 s VAL 209 Cb -0.11 -1.33 0.00 0.00 -1.53 0.00 0.00 36.38 33.41 3jr1 s VAL 209 CO 0.13 0.45 0.01 0.00 -3.33 0.00 0.00 175.10 172.35 3jr1 n ASN 211 N -1.25 -2.46 -4.72 0.00 3.02 -1.26 -4.88 115.26 103.71 3jr1 n ASN 211 Ca -0.16 -1.10 -0.32 0.00 -0.03 0.00 0.00 54.58 52.96 3jr1 n ASN 211 Cb 0.51 -2.72 0.12 0.00 -0.61 0.00 0.00 39.78 37.08 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 -6.65 1.78 -0.32 3.52 0.04 -1.26 -4.66 135.00 127.45 3jr1 s PRO 212 Ca 0.25 1.54 0.18 0.00 0.04 0.00 0.00 61.00 63.00 3jr1 s PRO 212 Cb -0.11 -1.81 0.46 0.00 0.04 0.00 0.00 34.50 33.08 3jr1 s PRO 212 CO 0.91 -2.06 0.99 0.00 0.04 0.00 0.00 177.00 176.88 3jr1 n ALA 213 N -3.43 3.21 -0.95 8.56 0.00 -0.15 -4.68 120.51 123.07 3jr1 n ALA 213 Ca 0.12 -2.97 -0.33 0.00 0.00 0.00 0.00 53.44 50.26 3jr1 n ALA 213 Cb 0.52 -0.94 0.12 0.00 0.00 0.00 0.00 19.45 19.15 3jr1 n ALA 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jr1 n TYR 215 N -3.43 0.00 -3.07 0.00 4.11 -1.25 -4.63 117.16 108.89 3jr1 n TYR 215 Ca 0.11 0.00 -0.42 0.00 -0.00 0.00 0.00 57.90 57.58 3jr1 n TYR 215 Cb 0.52 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.79 3jr1 n TYR 215 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 3jr1 s TRP 216 N -2.00 3.12 0.00 -3.48 0.52 0.78 -1.38 118.94 116.50 3jr1 s TRP 216 Ca 0.00 0.30 0.00 0.00 0.02 0.00 0.00 56.10 56.42 3jr1 s TRP 216 Cb 0.00 -3.26 0.00 0.00 -1.15 0.00 0.00 33.47 29.06 3jr1 s TRP 216 CO 0.00 -0.72 0.00 0.41 0.02 0.00 0.00 176.95 176.66 3jr1 n GLY 217 N 4.73 4.28 3.66 0.98 0.00 -0.35 -1.25 105.19 117.25 3jr1 n GLY 217 Ca -0.00 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 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 1.51 6.94 0.54 1.61 -1.08 -1.26 -0.68 116.67 124.26 3jr1 s ASP 218 Ca 0.00 1.17 0.34 0.00 -0.52 0.00 0.00 52.55 53.54 3jr1 s ASP 218 Cb 0.00 -2.46 1.51 0.00 -1.46 0.00 0.00 42.92 40.51 3jr1 s ASP 218 CO 0.00 -0.47 1.84 0.08 0.52 0.00 0.00 175.17 177.15 3jr1 h ARG 219 N 7.44 0.00 0.00 4.34 0.11 -1.86 -1.36 114.38 123.06 3jr1 h ARG 219 Ca -0.26 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.81 3jr1 h ARG 219 Cb 1.11 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.19 3jr1 h ARG 219 CO 0.86 0.00 -0.03 0.93 0.10 0.00 0.00 179.97 181.84 3jr1 h GLU 220 N 0.00 0.00 -0.73 0.08 5.08 -2.00 -2.24 114.58 114.77 3jr1 h GLU 220 Ca 0.49 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.78 3jr1 h GLU 220 Cb 1.98 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.20 3jr1 h GLU 220 CO -0.01 0.03 0.19 0.00 -1.00 0.00 0.00 179.01 178.23 3jr1 h ASP 222 N 1.10 -0.39 -0.39 0.00 3.32 -1.59 -1.62 116.42 116.85 3jr1 h ASP 222 Ca 0.23 -0.10 0.05 0.00 0.02 0.00 0.00 57.03 57.22 3jr1 h ASP 222 Cb 0.35 0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 3jr1 h ASP 222 CO -0.00 -0.12 0.13 0.40 -1.72 0.00 0.00 179.24 177.93 3jr1 h ILE 223 N -0.67 0.87 -0.23 0.35 1.08 -1.46 -1.92 117.51 115.53 3jr1 h ILE 223 Ca -0.05 -0.10 0.05 0.00 -0.39 0.00 0.00 64.86 64.37 3jr1 h ILE 223 Cb 0.47 0.57 -0.04 0.00 -3.07 0.00 0.00 36.82 34.74 3jr1 h ILE 223 CO 0.08 0.05 -0.06 0.00 -0.69 0.00 0.00 178.15 177.53 3jr1 h ALA 224 N 1.26 0.15 -0.48 1.87 0.00 -0.62 -2.52 119.26 118.91 3jr1 h ALA 224 Ca 0.18 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 3jr1 h ALA 224 Cb 0.17 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3jr1 h ALA 224 CO -0.19 -0.48 0.05 0.35 0.00 0.00 0.00 179.25 178.98 3jr1 h PHE 225 N -0.01 0.81 0.00 0.00 3.57 -0.98 -2.82 116.94 117.51 3jr1 h PHE 225 Ca 0.11 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3jr1 h PHE 225 Cb 0.18 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.69 3jr1 h PHE 225 CO -0.24 0.72 -0.03 0.66 -2.23 0.00 0.00 178.31 177.19 3jr1 h SER 226 N 0.73 0.00 -0.17 0.41 4.64 -0.91 -1.81 113.55 116.44 3jr1 h SER 226 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3jr1 h SER 226 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3jr1 h SER 226 CO 0.01 0.03 0.00 -1.54 -0.87 0.00 0.00 176.83 174.46 3jr1 n SER 227 N -3.33 2.71 0.35 4.97 3.41 -1.08 -3.00 113.62 117.64 3jr1 n SER 227 Ca -0.02 -1.79 -0.16 0.00 -0.26 0.00 0.00 58.87 56.64 3jr1 n SER 227 Cb 0.14 -0.10 -0.08 0.00 -0.26 0.00 0.00 64.21 63.91 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 3.27 -0.75 0.00 1.04 5.85 -1.18 -3.42 115.31 120.12 3jr1 h LEU 228 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3jr1 h LEU 228 Cb 0.75 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.98 3jr1 h LEU 228 CO 0.00 -0.42 0.00 0.49 -0.34 0.00 0.00 178.44 178.17 3jr1 n PHE 229 N -5.40 0.00 -1.70 1.25 3.72 -1.26 -4.91 117.46 109.16 3jr1 n PHE 229 Ca -0.12 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.85 3jr1 n PHE 229 Cb 0.37 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.88 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 3.88 3.45 0.81 -1.08 2.12 -1.26 -4.94 118.70 121.68 3jr1 s GLU 230 Ca 0.00 2.10 -0.12 0.00 0.36 0.00 0.00 54.97 57.31 3jr1 s GLU 230 Cb 0.00 -4.28 0.08 0.00 0.26 0.00 0.00 34.13 30.19 3jr1 s GLU 230 CO 0.00 -1.74 1.15 -1.25 -0.54 0.00 0.00 175.26 172.89 3jr1 s PRO 231 N 5.69 1.97 0.71 4.30 0.04 -1.26 -4.55 135.00 141.91 3jr1 s PRO 231 Ca 0.94 0.23 -0.12 0.00 0.04 0.00 0.00 61.00 62.09 3jr1 s PRO 231 Cb -0.34 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.29 3jr1 s PRO 231 CO 0.36 -1.62 1.09 -0.06 0.04 0.00 0.00 177.00 176.81 3jr1 s PHE 232 N -3.46 2.71 0.98 0.56 0.08 -1.16 -4.99 117.98 112.70 3jr1 s PHE 232 Ca 0.62 1.53 -0.11 0.00 0.12 0.00 0.00 56.93 59.09 3jr1 s PHE 232 Cb -0.12 -3.05 0.18 0.00 -0.57 0.00 0.00 43.02 39.46 3jr1 s PHE 232 CO 0.51 -1.62 1.10 -1.25 -0.10 0.00 0.00 175.22 173.85 3jr1 s PRO 233 N -4.63 0.49 0.29 0.24 0.04 -1.26 -4.91 135.00 125.25 3jr1 s PRO 233 Ca 0.62 1.24 0.03 0.00 0.04 0.00 0.00 61.00 62.93 3jr1 s PRO 233 Cb -0.17 -1.69 0.62 0.00 0.04 0.00 0.00 34.50 33.30 3jr1 s PRO 233 CO 0.50 -2.89 1.82 1.15 0.04 0.00 0.00 177.00 177.62 3jr1 h THR 234 N -2.05 0.85 0.00 1.26 2.02 -1.98 -2.52 112.91 110.49 3jr1 h THR 234 Ca -0.50 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 3jr1 h THR 234 Cb 1.29 -0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 3jr1 h THR 234 CO 0.46 0.17 -0.08 -0.55 0.37 0.00 0.00 175.52 175.88 3jr1 h ASN 235 N 0.91 0.00 0.21 4.18 -1.07 -1.94 -1.79 115.58 116.08 3jr1 h ASN 235 Ca 0.52 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.88 3jr1 h ASN 235 Cb 0.63 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.88 3jr1 h ASN 235 CO -0.30 0.08 -0.10 0.15 0.07 0.00 0.00 177.43 177.34 3jr1 h PHE 236 N 0.00 -0.26 -0.59 4.14 3.57 -1.63 -1.70 116.94 120.47 3jr1 h PHE 236 Ca -0.00 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 3jr1 h PHE 236 Cb 0.25 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 3jr1 h PHE 236 CO 0.00 0.01 -0.00 1.88 -2.23 0.00 0.00 178.31 177.97 3jr1 h TYR 237 N -0.51 1.14 0.35 0.41 0.05 -1.59 -0.32 116.97 116.51 3jr1 h TYR 237 Ca -0.03 -0.20 -0.00 0.00 0.05 0.00 0.00 58.73 58.55 3jr1 h TYR 237 Cb 0.38 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 37.80 3jr1 h TYR 237 CO 0.00 1.01 -0.40 0.37 -1.05 0.00 0.00 178.16 178.09 3jr1 h GLN 238 N 0.94 -0.76 -0.38 4.88 5.75 -1.35 -1.81 115.11 122.37 3jr1 h GLN 238 Ca 0.17 0.05 -0.10 0.00 -0.15 0.00 0.00 58.65 58.62 3jr1 h GLN 238 Cb 0.56 0.17 -0.02 0.00 1.07 0.00 0.00 27.48 29.27 3jr1 h GLN 238 CO 0.03 -0.51 -0.18 -0.09 -2.65 0.00 0.00 178.83 175.43 3jr1 h ARG 239 N -0.79 0.72 -0.06 1.69 9.65 -1.16 -2.15 114.38 122.28 3jr1 h ARG 239 Ca -0.02 -0.26 -0.00 0.00 -1.10 0.00 0.00 59.98 58.59 3jr1 h ARG 239 Cb 0.72 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.25 3jr1 h ARG 239 CO -0.10 0.85 0.03 -0.92 2.80 0.00 0.00 179.97 182.64 3jr1 h TYR 240 N 0.64 0.09 0.00 2.20 3.20 -0.94 -1.86 116.97 120.30 3jr1 h TYR 240 Ca 0.10 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 3jr1 h TYR 240 Cb 0.66 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.90 3jr1 h TYR 240 CO 0.03 0.15 -0.13 -0.97 -1.64 0.00 0.00 178.16 175.61 3jr1 h ASN 241 N -0.00 0.00 -0.14 -2.11 -1.24 -1.24 0.90 115.58 111.75 3jr1 h ASN 241 Ca 0.02 0.00 -0.22 0.00 0.71 0.00 0.00 56.30 56.81 3jr1 h ASN 241 Cb 0.10 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.16 3jr1 h ASN 241 CO -0.00 0.13 -0.79 -0.08 -1.29 0.00 0.00 177.43 175.40 3jr1 h GLU 242 N 0.00 0.79 0.04 6.67 4.81 -0.99 -2.60 114.58 123.30 3jr1 h GLU 242 Ca -0.00 -0.65 -0.06 0.00 -0.13 0.00 0.00 59.36 58.52 3jr1 h GLU 242 Cb 0.32 0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.84 3jr1 h GLU 242 CO 0.02 1.25 -0.26 0.82 -0.73 0.00 0.00 179.01 180.11 3jr1 h ILE 243 N 0.54 1.69 -2.44 2.32 2.04 -0.90 -3.41 117.51 117.35 3jr1 h ILE 243 Ca -0.05 -2.37 -0.60 0.00 1.00 0.00 0.00 64.86 62.84 3jr1 h ILE 243 Cb 1.41 3.29 -0.41 0.00 -0.74 0.00 0.00 36.82 40.38 3jr1 h ILE 243 CO 0.16 0.63 -0.75 0.00 0.00 0.00 0.00 178.15 178.20 3jr1 n TYR 244 N -4.46 2.00 -1.60 1.37 4.19 0.27 -5.10 117.16 113.82 3jr1 n TYR 244 Ca -0.11 -3.95 -0.52 0.00 3.31 0.00 0.00 57.90 56.64 3jr1 n TYR 244 Cb 0.58 -0.40 -0.06 0.00 0.49 0.00 0.00 39.34 39.95 3jr1 n TYR 244 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3jr1 n PRO 245 N 1.61 1.26 -1.95 2.98 -0.04 -0.98 -4.56 135.00 133.32 3jr1 n PRO 245 Ca 0.25 0.46 -0.41 0.00 -0.04 0.00 0.00 63.50 63.76 3jr1 n PRO 245 Cb 0.43 -2.12 -0.01 0.00 -0.04 0.00 0.00 33.50 31.76 3jr1 n PRO 245 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3jr1 s LEU 246 N 0.69 4.37 0.62 1.53 1.43 -1.26 -5.01 118.68 121.04 3jr1 s LEU 246 Ca 0.84 2.86 -0.09 0.00 -1.03 0.00 0.00 54.13 56.71 3jr1 s LEU 246 Cb -0.93 -3.65 -0.01 0.00 0.03 0.00 0.00 46.19 41.63 3jr1 s LEU 246 CO 0.47 -0.72 0.99 -1.61 0.23 0.00 0.00 176.35 175.70 3jr1 s GLU 247 N -1.68 3.21 0.34 1.70 2.02 -1.26 -5.00 118.70 118.03 3jr1 s GLU 247 Ca 0.53 0.42 -0.29 0.00 0.02 0.00 0.00 54.97 55.65 3jr1 s GLU 247 Cb -0.43 -2.14 -0.11 0.00 0.10 0.00 0.00 34.13 31.54 3jr1 s GLU 247 CO 0.56 -0.70 1.51 -0.85 0.02 0.00 0.00 175.26 175.81 3jr1 n GLU 248 N -2.73 2.64 0.00 1.61 -0.00 -1.26 -2.76 120.64 118.14 3jr1 n GLU 248 Ca 0.05 0.93 0.00 0.00 -0.00 0.00 0.00 57.16 58.14 3jr1 n GLU 248 Cb 0.56 -2.67 0.00 0.00 -0.00 0.00 0.00 31.44 29.33 3jr1 n GLU 248 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3jr1 n GLY 249 N 1.17 0.33 0.28 -1.84 0.00 -1.26 -5.02 105.19 98.84 3jr1 n GLY 249 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.43 -0.15 1.61 3.20 -1.91 -2.29 116.97 117.01 3jr1 h TYR 250 Ca 0.00 0.07 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 3jr1 h TYR 250 Cb 0.00 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 3jr1 h TYR 250 CO 0.00 -0.32 -0.18 -0.07 -1.64 0.00 0.00 178.16 175.95 3jr1 h LEU 251 N -0.01 0.23 -0.13 2.82 3.38 -1.95 0.40 115.31 120.05 3jr1 h LEU 251 Ca 0.34 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 58.13 3jr1 h LEU 251 Cb 0.53 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3jr1 h LEU 251 CO -0.74 0.44 -0.40 -0.08 0.09 0.00 0.00 178.44 177.75 3jr1 h GLU 252 N 0.23 0.49 -0.27 1.13 4.81 -1.89 -3.22 114.58 115.86 3jr1 h GLU 252 Ca 0.04 -0.36 -0.10 0.00 -0.13 0.00 0.00 59.36 58.81 3jr1 h GLU 252 Cb 0.46 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3jr1 h GLU 252 CO 0.03 0.98 -0.25 0.00 -0.73 0.00 0.00 179.01 179.04 3jr1 h ARG 253 N 0.09 0.52 -0.88 1.92 3.08 -1.03 -3.01 114.38 115.08 3jr1 h ARG 253 Ca -0.01 -0.20 0.22 0.00 0.07 0.00 0.00 59.98 60.06 3jr1 h ARG 253 Cb 1.02 -0.03 -0.13 0.00 0.08 0.00 0.00 29.97 30.91 3jr1 h ARG 253 CO 0.08 0.73 0.32 -0.22 -1.07 0.00 0.00 179.97 179.81 3jr1 h LYS 254 N 0.46 0.30 -0.48 0.04 3.64 -0.22 -0.87 116.57 119.43 3jr1 h LYS 254 Ca 0.07 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 3jr1 h LYS 254 Cb 0.68 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 3jr1 h LYS 254 CO 0.05 0.20 0.18 -0.07 -2.27 0.00 0.00 179.45 177.53 3jr1 h LEU 255 N 0.31 0.68 -0.43 5.20 3.38 -1.58 0.26 115.31 123.12 3jr1 h LEU 255 Ca 0.55 -0.18 -0.17 0.00 0.09 0.00 0.00 57.88 58.17 3jr1 h LEU 255 Cb 1.07 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 3jr1 h LEU 255 CO -0.58 0.68 -0.78 0.16 0.09 0.00 0.00 178.44 178.01 3jr1 h ILE 256 N 0.64 1.51 -0.30 1.22 3.07 -1.42 -1.15 117.51 121.08 3jr1 h ILE 256 Ca 0.16 -2.53 -0.04 0.00 1.55 0.00 0.00 64.86 64.00 3jr1 h ILE 256 Cb 0.22 2.37 -0.01 0.00 -0.27 0.00 0.00 36.82 39.14 3jr1 h ILE 256 CO -0.01 0.73 0.03 1.88 -1.05 0.00 0.00 178.15 179.73 3jr1 h TYR 257 N 0.06 0.54 -0.61 0.16 0.05 -1.07 -3.05 116.97 113.06 3jr1 h TYR 257 Ca -0.02 -0.08 -0.03 0.00 0.05 0.00 0.00 58.73 58.64 3jr1 h TYR 257 Cb 1.37 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 38.94 3jr1 h TYR 257 CO 0.01 0.61 0.25 1.96 -1.05 0.00 0.00 178.16 179.95 3jr1 h GLN 258 N 0.32 0.88 -0.91 4.88 4.20 -0.85 -2.57 115.11 121.06 3jr1 h GLN 258 Ca 0.09 -0.13 0.17 0.00 0.06 0.00 0.00 58.65 58.84 3jr1 h GLN 258 Cb 0.38 -0.16 -0.07 0.00 0.30 0.00 0.00 27.48 27.93 3jr1 h GLN 258 CO 0.01 0.72 0.59 1.25 -0.67 0.00 0.00 178.83 180.72 3jr1 h LEU 259 N 0.87 0.57 -0.04 1.46 5.85 -1.10 -1.62 115.31 121.30 3jr1 h LEU 259 Ca 0.21 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.99 3jr1 h LEU 259 Cb 0.16 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3jr1 h LEU 259 CO -0.02 0.25 -0.01 0.22 -0.34 0.00 0.00 178.44 178.54 3jr1 h TYR 260 N 0.58 -0.02 -0.61 1.25 3.20 -1.41 -1.47 116.97 118.49 3jr1 h TYR 260 Ca 0.47 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.26 3jr1 h TYR 260 Cb 0.93 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.20 3jr1 h TYR 260 CO -0.00 -0.02 0.03 1.88 -1.64 0.00 0.00 178.16 178.41 3jr1 h TYR 261 N -0.00 1.15 -0.97 -3.82 0.05 -1.42 -1.86 116.97 110.10 3jr1 h TYR 261 Ca 0.02 -0.19 0.02 0.00 0.05 0.00 0.00 58.73 58.62 3jr1 h TYR 261 Cb 0.03 -0.30 -0.05 0.00 1.01 0.00 0.00 36.73 37.42 3jr1 h TYR 261 CO -0.11 1.00 0.64 -0.07 -1.05 0.00 0.00 178.16 178.58 3jr1 h LEU 262 N 0.96 1.10 -0.53 3.88 3.38 -1.25 0.28 115.31 123.13 3jr1 h LEU 262 Ca 0.18 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3jr1 h LEU 262 Cb 0.53 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3jr1 h LEU 262 CO 0.03 0.79 0.30 -0.07 0.09 0.00 0.00 178.44 179.57 3jr1 h LEU 263 N 1.29 0.66 0.25 1.67 3.38 -0.97 0.38 115.31 121.96 3jr1 h LEU 263 Ca 0.36 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 3jr1 h LEU 263 Cb -0.12 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.47 3jr1 h LEU 263 CO -0.09 0.55 -0.12 -1.13 0.09 0.00 0.00 178.44 177.75 3jr1 h ASN 264 N 0.71 -0.28 -0.85 -0.43 -0.73 -0.67 -1.35 115.58 111.98 3jr1 h ASN 264 Ca 0.19 -0.02 0.01 0.00 1.87 0.00 0.00 56.30 58.35 3jr1 h ASN 264 Cb 0.04 0.07 -0.04 0.00 0.27 0.00 0.00 38.32 38.65 3jr1 h ASN 264 CO -0.03 -0.16 0.56 -0.26 -0.37 0.00 0.00 177.43 177.17 3jr1 h PHE 265 N -0.37 1.06 -0.45 0.67 -1.00 -0.34 -1.19 116.94 115.31 3jr1 h PHE 265 Ca -0.03 0.03 0.04 0.00 2.81 0.00 0.00 57.97 60.81 3jr1 h PHE 265 Cb 0.28 -0.36 -0.04 0.00 3.61 0.00 0.00 35.95 39.45 3jr1 h PHE 265 CO -0.05 0.66 0.23 0.77 -1.61 0.00 0.00 178.31 178.31 3jr1 h SER 266 N 1.14 0.34 -0.05 2.17 0.02 -0.03 0.03 113.55 117.16 3jr1 h SER 266 Ca 0.32 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.29 3jr1 h SER 266 Cb -0.10 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 3jr1 h SER 266 CO -0.08 0.24 0.03 0.22 -1.14 0.00 0.00 176.83 176.10 3jr1 h TYR 267 N 0.46 0.07 -0.07 3.45 3.20 -0.80 -1.22 116.97 122.06 3jr1 h TYR 267 Ca 0.20 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.98 3jr1 h TYR 267 Cb 0.10 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 3jr1 h TYR 267 CO -0.10 0.08 -0.33 0.00 -1.64 0.00 0.00 178.16 176.17 3jr1 h ARG 268 N 0.04 0.13 0.00 1.82 3.08 -0.89 -3.36 114.38 115.20 3jr1 h ARG 268 Ca 0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3jr1 h ARG 268 Cb 0.03 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3jr1 h ARG 268 CO -0.00 0.46 -0.20 0.66 -1.07 0.00 0.00 179.97 179.81 3jr1 n TYR 269 N -4.11 0.00 -0.19 3.04 4.01 -0.03 -4.82 117.16 115.05 3jr1 n TYR 269 Ca -0.01 -0.52 0.12 0.00 -0.16 0.00 0.00 57.90 57.32 3jr1 n TYR 269 Cb 0.40 -0.10 0.43 0.00 -0.31 0.00 0.00 39.34 39.76 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 0.00 0.65 0.00 -0.72 -0.00 -1.38 -1.02 116.97 114.49 3jr1 h TYR 270 Ca 0.00 0.02 -0.08 0.00 -0.00 0.00 0.00 58.73 58.67 3jr1 h TYR 270 Cb 1.14 -0.21 -0.01 0.00 -0.00 0.00 0.00 36.73 37.65 3jr1 h TYR 270 CO 0.04 0.28 -0.37 -2.95 -0.00 0.00 0.00 178.16 175.16 3jr1 h ASN 271 N 0.58 0.00 0.00 0.10 7.08 -1.87 -3.38 115.58 118.09 3jr1 h ASN 271 Ca 0.37 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.59 3jr1 h ASN 271 Cb 0.62 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.86 3jr1 h ASN 271 CO -0.13 0.37 0.00 0.29 -2.08 0.00 0.00 177.43 175.88 3jr1 n LYS 272 N -3.62 0.00 0.14 4.14 4.01 -0.44 -4.91 118.16 117.48 3jr1 n LYS 272 Ca -0.01 0.03 -0.10 0.00 -0.51 0.00 0.00 58.31 57.72 3jr1 n LYS 272 Cb 0.48 -0.49 -0.06 0.00 -0.51 0.00 0.00 35.03 34.45 3jr1 n LYS 272 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 3jr1 h LYS 273 N 0.00 -0.41 0.00 1.97 6.56 -1.65 -3.48 116.57 119.56 3jr1 h LYS 273 Ca 0.00 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.62 3jr1 h LYS 273 Cb 0.00 0.09 0.00 0.00 -0.57 0.00 0.00 32.23 31.75 3jr1 h LYS 273 CO 0.00 -0.12 0.00 1.04 -2.06 0.00 0.00 179.45 178.31 3jr1 n GLN 274 N -5.06 0.00 0.26 3.15 1.13 -1.25 -4.76 117.38 110.85 3jr1 n GLN 274 Ca -0.07 0.00 0.15 0.00 -1.94 0.00 0.00 57.00 55.14 3jr1 n GLN 274 Cb 0.24 -0.18 0.62 0.00 0.11 0.00 0.00 30.24 31.03 3jr1 n GLN 274 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3jr1 h SER 275 N 0.00 0.00 -0.42 1.08 4.64 -1.93 -3.19 113.55 113.73 3jr1 h SER 275 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3jr1 h SER 275 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3jr1 h SER 275 CO 0.00 0.05 -0.03 1.88 -0.87 0.00 0.00 176.83 177.86 3jr1 h TYR 276 N 0.00 0.83 0.09 4.77 0.05 -1.94 -1.21 116.97 119.56 3jr1 h TYR 276 Ca -0.00 -0.15 -0.00 0.00 0.05 0.00 0.00 58.73 58.62 3jr1 h TYR 276 Cb 0.58 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.10 3jr1 h TYR 276 CO 0.00 0.84 -0.05 0.28 -1.05 0.00 0.00 178.16 178.18 3jr1 h VAL 277 N 0.58 0.94 -0.51 -2.88 2.07 -1.89 -1.21 116.25 113.36 3jr1 h VAL 277 Ca 0.11 -0.13 0.08 0.00 0.82 0.00 0.00 66.70 67.59 3jr1 h VAL 277 Cb 0.52 1.03 -0.07 0.00 -1.52 0.00 0.00 31.29 31.26 3jr1 h VAL 277 CO 0.03 0.03 0.14 0.28 0.02 0.00 0.00 177.57 178.07 3jr1 h SER 278 N -0.18 0.09 -0.70 0.57 0.02 -1.58 0.17 113.55 111.93 3jr1 h SER 278 Ca -0.01 0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.94 3jr1 h SER 278 Cb 0.15 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 3jr1 h SER 278 CO 0.02 0.08 0.15 -0.07 -1.14 0.00 0.00 176.83 175.87 3jr1 h LEU 279 N 0.30 1.08 -0.08 5.07 3.38 -1.10 -1.82 115.31 122.14 3jr1 h LEU 279 Ca 0.25 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3jr1 h LEU 279 Cb 0.31 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3jr1 h LEU 279 CO -0.29 1.04 0.03 0.74 0.09 0.00 0.00 178.44 180.05 3jr1 h THR 280 N 1.07 1.15 -0.26 0.22 2.02 -0.38 -0.84 112.91 115.89 3jr1 h THR 280 Ca 0.22 -0.46 0.01 0.00 0.77 0.00 0.00 66.41 66.95 3jr1 h THR 280 Cb 0.40 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 3jr1 h THR 280 CO 0.01 0.13 0.14 -0.61 0.37 0.00 0.00 175.52 175.56 3jr1 h GLN 281 N -0.04 0.29 -0.44 6.66 5.75 -0.66 -0.51 115.11 126.15 3jr1 h GLN 281 Ca 0.03 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.54 3jr1 h GLN 281 Cb 0.18 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.63 3jr1 h GLN 281 CO -0.00 0.19 0.22 0.87 -2.65 0.00 0.00 178.83 177.46 3jr1 h LYS 282 N 0.30 0.43 -0.48 1.69 6.56 -1.23 -1.36 116.57 122.48 3jr1 h LYS 282 Ca 0.10 -0.03 -0.03 0.00 -1.06 0.00 0.00 60.65 59.64 3jr1 h LYS 282 Cb 0.01 -0.10 -0.02 0.00 -0.57 0.00 0.00 32.23 31.55 3jr1 h LYS 282 CO -0.06 0.28 0.18 1.25 -2.06 0.00 0.00 179.45 179.04 3jr1 h LEU 283 N 0.44 0.62 -0.38 2.94 5.85 -0.74 -2.14 115.31 121.90 3jr1 h LEU 283 Ca 0.19 -0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.71 3jr1 h LEU 283 Cb 0.09 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3jr1 h LEU 283 CO -0.13 0.57 -0.25 0.40 -0.34 0.00 0.00 178.44 178.69 3jr1 h ILE 284 N 0.68 1.28 -0.82 4.05 2.04 -0.73 -2.60 117.51 121.41 3jr1 h ILE 284 Ca 0.16 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.62 3jr1 h ILE 284 Cb 0.16 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 3jr1 h ILE 284 CO -0.01 0.47 0.52 0.78 0.00 0.00 0.00 178.15 179.90 3jr1 h ASN 285 N 0.64 0.96 -0.58 1.72 2.35 -0.93 0.35 115.58 120.08 3jr1 h ASN 285 Ca 0.08 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3jr1 h ASN 285 Cb 0.82 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.92 3jr1 h ASN 285 CO 0.07 0.71 0.35 -0.61 -1.65 0.00 0.00 177.43 176.30 3jr1 h GLN 286 N 1.11 0.79 -0.13 0.81 4.15 -1.31 0.55 115.11 121.08 3jr1 h GLN 286 Ca 0.30 -0.07 -0.12 0.00 0.77 0.00 0.00 58.65 59.52 3jr1 h GLN 286 Cb -0.09 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.42 3jr1 h GLN 286 CO -0.06 0.57 -0.46 0.82 -1.93 0.00 0.00 178.83 177.77 3jr1 h ILE 287 N 0.78 1.33 0.00 2.39 2.04 -1.12 -2.97 117.51 119.96 3jr1 h ILE 287 Ca 0.21 -1.65 -0.25 0.00 1.00 0.00 0.00 64.86 64.17 3jr1 h ILE 287 Cb -0.01 1.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 3jr1 h ILE 287 CO -0.04 0.50 -1.38 -0.11 0.00 0.00 0.00 178.15 177.11 3jr1 n LEU 288 N -3.99 1.87 -0.05 1.44 0.00 0.08 -4.72 117.00 111.63 3jr1 n LEU 288 Ca -0.02 0.42 -0.01 0.00 0.00 0.00 0.00 56.01 56.40 3jr1 n LEU 288 Cb 0.52 -0.94 -0.01 0.00 0.00 0.00 0.00 43.42 42.99 3jr1 n LEU 288 CO 0.43 0.27 0.03 0.45 0.00 0.00 0.00 177.39 178.58 3jr1 h HIS 289 N -1.00 0.00 -0.01 1.96 3.86 -0.05 -3.51 115.15 116.40 3jr1 h HIS 289 Ca -0.37 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.84 3jr1 h HIS 289 Cb 1.30 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.77 3jr1 h HIS 289 CO 0.05 0.10 0.00 1.63 0.86 0.00 0.00 177.93 180.57